#DEFINITION	Reference Metabolome for Lonicera japonica
#IDENTTFIER	RefMeta-Lonicera japonica.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Lonicera japonica
#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 Lonicera japonica 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	995.6105
Annotation	Unknow
Peak:m/z	Relative Intensity
71.51279	0.5
78.95773	8.2
85.02806	0.3
88.98689	0.4
90.97259	0.3
93.03346	0.3
96.95893	1.5
96.96799	0.4
119.46395	0.3
121.47251	0.3
130.42639	0.3
132.02957	0.4
140.01097	2.2
142.80312	0.3
152.99495	1.2
186.69574	0.3
191.05519	1.4
196.03677	1.0
214.04802	2.3
222.40985	0.4
261.22202	0.4
265.14633	1.0
279.23270	100.0
280.23639	6.4
476.27808	51.0
477.28024	4.3
657.83728	0.4
754.53027	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.5737
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03320	0.3
71.00857	0.2
71.01252	3.1
72.99176	0.2
73.02822	0.5
76.04977	0.1
78.95767	0.2
80.02541	0.2
81.03316	0.2
82.09830	0.1
83.01263	0.4
83.04892	0.3
85.02816	0.9
86.26794	0.1
87.00755	0.6
89.02312	2.6
93.03354	0.2
93.06973	0.2
95.01248	0.2
95.04893	0.2
97.02812	0.6
97.06480	0.2
98.03619	0.1
99.00741	0.2
99.08117	0.2
101.02322	2.6
109.02859	0.2
109.06473	0.5
111.04396	0.1
111.08038	1.5
113.02307	1.1
113.09590	0.1
113.19194	0.1
119.03381	0.7
123.00764	0.2
123.08009	0.1
125.02331	1.0
125.06018	0.1
125.09588	0.6
127.07529	0.2
127.11177	1.4
129.09105	0.4
131.03395	0.2
135.08008	0.1
137.09642	0.3
138.06783	0.2
139.04013	0.1
139.07568	0.2
141.09082	0.2
143.03401	0.4
149.09608	0.3
151.07619	0.2
151.11214	0.9
153.09148	0.7
153.12750	3.3
155.10680	0.9
161.04492	0.5
163.11221	0.3
165.12753	0.5
167.10706	1.7
168.11243	0.2
169.12268	0.6
171.10153	0.1
179.05527	0.4
179.10764	0.7
179.14308	1.5
181.12253	2.9
191.05524	0.3
193.15912	0.6
197.11749	2.1
199.13268	0.9
207.13824	1.9
208.14212	0.2
209.11803	0.1
213.14845	0.2
215.12790	1.1
217.15881	0.2
219.17429	0.2
221.06735	0.1
221.19113	0.1
225.11435	0.2
226.12057	0.4
227.12813	0.9
228.13562	0.7
231.17406	0.3
235.08180	1.3
237.22156	0.2
245.19089	0.3
247.18172	0.3
247.20633	4.0
248.20921	0.2
249.18547	0.2
251.20024	0.2
253.09236	0.2
253.21675	0.2
263.20093	0.5
265.21689	0.8
273.18600	2.0
275.16556	0.2
277.21707	6.5
278.21988	0.5
281.21182	1.3
287.07840	0.2
289.18243	0.2
291.19653	23.2
292.19989	1.3
305.08780	0.3
309.20691	100.0
310.21017	5.3
310.24603	0.3
323.10117	0.2
397.13474	12.2
398.13919	0.6
415.14563	4.3
416.80994	0.1
616.65417	0.1
675.35986	0.4
728.25580	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	981.3979
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03325	1.7
71.01249	4.3
72.99155	0.6
73.02821	0.7
78.95762	0.9
79.59357	0.3
81.03320	1.9
83.01270	0.5
83.04883	1.7
85.02821	14.1
87.00750	6.8
88.98669	0.5
93.03333	34.2
94.03672	0.8
95.01250	0.9
95.04901	0.9
96.95868	0.7
97.02843	0.5
99.00761	0.9
99.04400	1.0
101.02337	0.6
105.03338	2.3
107.04895	1.3
108.02026	2.1
109.02827	5.5
111.00774	0.5
111.04406	4.8
113.02322	0.7
121.02860	2.4
122.03658	0.5
123.04380	1.1
124.01546	4.4
125.02345	1.8
126.03114	1.0
127.03894	3.5
129.01805	0.6
132.02095	2.0
133.02846	19.3
134.03671	5.0
135.04411	77.7
136.04707	2.8
137.02353	3.6
139.03896	0.6
145.02878	0.6
149.02339	0.7
149.05939	0.6
150.03143	2.9
151.03902	7.8
155.03415	1.6
159.04440	0.8
160.01552	2.0
161.02344	6.9
161.06001	0.5
162.03154	0.6
163.03911	0.9
171.02901	1.1
172.05190	0.6
173.04491	9.3
173.05916	0.7
174.03165	0.8
175.03899	0.7
177.01857	4.7
178.02620	2.6
179.01839	0.8
179.03412	15.8
180.03917	1.0
181.04900	0.5
181.08624	1.0
187.03941	0.9
187.07533	0.5
191.05531	100.0
192.05879	3.0
194.02145	0.5
197.06067	0.5
199.03894	0.8
200.04636	0.5
202.02608	0.6
209.11798	2.0
211.03938	0.4
211.13338	0.7
213.05441	0.6
215.05507	3.9
216.05841	0.5
227.03510	1.1
228.04169	0.8
253.12430	0.5
255.10233	0.7
255.13799	0.4
271.13354	1.0
281.11905	2.4
283.09656	0.6
283.13293	0.6
297.11371	1.1
299.12860	3.5
307.08279	1.7
308.08932	3.7
309.14996	0.8
315.12469	0.9
317.13937	0.5
325.10904	3.2
327.15952	1.2
343.11792	1.3
351.07187	6.6
352.07877	3.4
353.08780	0.6
353.13937	1.4
551.21368	0.4
579.20599	1.7
607.24133	0.6
745.32361	1.1
747.32892	0.7
761.34985	0.5
763.35339	1.7
771.32306	1.7
788.31952	0.5
789.33344	43.4
790.33862	8.1
807.33917	2.9
808.35834	0.5
963.38507	2.4
981.39667	49.5
982.39844	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	976.5885
Annotation	Unknow
Peak:m/z	Relative Intensity
71.50385	0.2
71.50789	0.3
78.86396	0.2
78.95768	28.4
81.55083	0.2
91.97265	0.2
96.95882	0.2
96.96822	2.5
134.13959	0.2
139.05779	0.2
150.97925	0.4
152.99480	42.2
153.99767	0.5
171.00542	12.9
172.00894	0.2
172.57393	0.2
191.05495	0.4
227.03253	3.1
245.04262	59.1
246.04584	1.4
253.21687	26.0
254.21994	1.4
355.74585	0.2
387.94629	0.2
481.25681	100.0
482.25986	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	975.3716
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99686	7.0
69.03020	0.7
69.03332	6.7
69.27319	5.0
70.71243	0.6
71.01251	5.5
72.99178	0.7
83.01219	0.7
85.02811	1.4
87.00742	0.6
89.02309	2.5
93.03327	7.2
95.01243	1.6
95.04942	0.8
98.19810	0.8
99.00771	1.4
101.02321	11.9
105.03326	0.8
107.04885	1.0
113.02328	5.6
119.03362	0.9
121.02831	7.8
121.06461	3.5
123.04384	1.1
127.03902	25.5
135.14560	0.6
137.02332	1.2
149.02295	3.0
149.06012	3.9
151.03912	1.1
153.05453	13.0
155.03345	2.3
165.02141	0.7
173.05971	1.3
179.03407	1.5
181.04977	11.1
191.05533	2.1
193.05006	1.0
205.08655	0.7
209.08182	1.1
225.03966	6.7
277.07117	1.0
457.13483	100.0
458.13797	7.4
559.11713	0.7
975.31665	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	973.3707
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03306	1.4
69.22955	6.6
71.01244	3.6
72.99194	0.8
78.95797	1.1
81.03342	0.8
83.01286	0.7
83.04901	0.9
85.02808	3.7
87.00740	6.3
89.02316	1.7
89.67321	0.6
93.03331	33.2
94.03664	1.1
95.04921	0.7
96.95913	0.9
97.02847	1.1
99.04411	0.8
101.02310	2.7
105.03388	0.7
108.02050	1.5
109.02859	2.5
110.85959	0.7
111.00748	1.0
111.04404	3.6
113.02325	1.1
121.02843	6.6
122.03635	15.5
122.04462	1.3
123.00804	0.9
123.04420	1.7
124.01559	2.7
125.02322	1.1
127.03933	1.4
133.02821	3.4
134.03636	5.3
135.04445	4.7
136.01561	10.0
137.02380	5.1
138.03120	0.8
139.03886	1.9
145.02892	1.1
146.03604	1.4
147.04405	1.6
149.02341	27.4
149.06020	1.9
150.03125	100.0
151.00296	2.1
151.03923	15.7
152.04242	2.4
153.01768	0.7
155.03421	1.5
160.01520	0.9
161.02338	2.3
161.05986	1.2
162.03137	4.5
163.03914	3.9
164.04700	6.2
165.01831	9.5
165.05479	98.7
166.02621	5.0
166.05812	6.1
167.03136	1.2
172.10034	0.7
173.04475	11.7
173.05853	1.3
174.03091	0.9
175.02493	1.0
175.03931	3.0
176.04691	0.8
177.01877	1.6
177.05455	3.6
178.02609	0.7
179.03391	4.8
179.06987	3.1
180.04178	14.6
181.04955	7.7
182.05310	2.1
188.04753	0.9
189.05431	1.8
190.06226	3.6
191.05524	27.1
191.07008	2.3
192.04247	1.4
192.05899	1.5
193.04942	1.5
194.05782	2.3
195.06552	53.0
196.06911	4.4
203.07069	0.8
205.04970	0.7
205.08629	2.8
205.54604	0.7
207.06561	2.1
208.07329	1.0
213.05600	1.0
225.07567	3.2
231.10254	2.5
257.08145	1.8
270.08954	1.1
275.09225	6.1
299.09082	1.0
311.09296	1.5
313.10965	1.4
314.07874	1.0
315.08603	0.7
329.10248	1.7
341.10330	1.9
343.11841	1.5
344.12573	2.3
345.13171	1.0
353.08804	0.8
353.13907	0.7
356.12506	1.1
357.13516	1.7
359.14920	7.1
366.33701	0.6
369.13651	0.7
371.14877	2.1
372.12033	1.3
373.12756	5.9
374.13208	4.3
375.14102	2.1
387.14517	8.7
388.14899	7.6
389.15952	11.3
390.16370	1.1
419.16934	1.2
421.15195	4.0
422.15536	1.6
423.15994	0.9
449.14487	32.3
450.14832	2.8
451.15414	1.5
491.15445	1.5
503.15683	2.2
506.17944	3.0
507.19601	0.8
521.20337	11.1
522.20404	0.9
533.20276	11.3
534.20319	1.5
537.20807	2.5
551.21307	1.6
552.20135	1.4
565.21063	0.9
566.20905	0.7
567.22345	13.8
568.22852	0.7
585.23499	5.1
597.23370	1.8
613.22992	2.1
614.23871	4.1
615.24298	13.7
616.24530	1.2
669.25507	1.8
715.27856	1.9
729.27740	0.8
745.28455	1.8
746.29498	0.7
762.28198	0.7
763.29504	11.9
764.29974	2.0
775.30316	1.0
777.29443	2.2
793.31061	4.3
811.31738	23.2
812.32233	4.9
925.34271	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	971.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99664	0.8
69.03328	1.1
71.01250	2.8
71.06355	0.9
78.95789	0.5
79.42890	0.5
81.03323	1.1
84.02943	0.4
85.02822	2.7
87.00742	3.0
89.02302	0.9
93.03336	18.0
95.01218	1.3
95.04929	0.5
96.95867	0.5
99.00810	0.5
101.02329	1.3
105.03345	1.1
108.02065	2.0
109.02844	2.6
111.04378	2.0
113.02326	1.1
119.04907	1.0
121.02842	7.4
122.03619	8.7
123.00780	2.1
123.04401	2.1
124.01524	1.1
125.02351	0.5
127.03855	0.6
132.02042	0.9
133.02858	2.1
134.03636	3.5
135.04419	4.0
136.01556	37.7
137.02367	12.6
138.03090	1.1
139.03883	0.5
147.04350	0.7
148.01494	0.6
149.02347	22.2
149.05971	2.0
150.03131	51.7
151.00287	9.1
151.03917	48.9
152.01033	1.2
152.04358	1.9
153.01796	0.6
153.05502	1.0
154.02588	0.7
155.03331	1.0
156.57443	0.5
158.03548	0.6
159.04480	0.7
160.05139	0.5
161.02341	2.0
162.03114	3.7
163.03900	3.5
164.01019	0.7
164.04715	7.3
165.01843	29.8
165.05481	48.5
166.02626	33.8
166.05783	2.3
167.03357	3.3
173.02258	0.6
173.04456	7.1
175.03946	2.1
175.07547	0.6
177.01852	3.2
177.05470	3.3
178.02583	1.8
179.03407	7.8
179.07076	1.8
180.04193	20.4
180.05780	1.0
181.04977	38.8
182.05333	1.9
184.03629	0.8
188.04695	0.5
189.05533	1.7
190.02713	0.8
190.06258	1.6
191.03625	0.8
191.05537	13.2
191.06969	0.5
192.04141	0.6
192.05859	0.9
193.04950	3.0
194.05745	1.8
195.02850	1.9
195.06554	51.1
196.06902	2.1
205.04959	2.9
206.05606	0.9
207.06522	1.1
209.11917	0.6
210.05255	2.5
219.06609	0.5
221.08095	0.7
225.05571	0.9
225.07608	11.1
226.07980	0.6
227.12811	0.7
231.10272	0.8
253.05026	1.0
266.06055	0.5
268.07315	0.9
275.06448	0.6
275.09253	2.1
279.06467	0.7
282.05215	1.1
285.04010	1.1
285.07559	0.8
295.06161	0.7
296.06995	0.6
297.07629	1.8
297.10852	0.5
298.08566	0.6
299.09280	2.0
300.09924	1.4
309.07617	0.7
311.09375	0.6
312.06458	0.6
323.09250	0.8
324.10046	0.7
325.63104	0.6
327.08694	0.8
328.09396	1.6
329.10284	2.1
339.08765	1.3
342.10956	2.7
343.11862	6.6
344.12070	0.6
357.09717	8.2
357.13516	7.6
358.10342	1.9
369.13272	2.5
372.12115	7.8
373.12888	47.9
374.13315	4.4
386.13361	0.7
387.14487	100.0
388.14877	9.1
403.13892	4.6
421.15036	27.6
422.15359	1.8
449.14563	16.0
450.14886	1.6
467.15396	2.9
521.17218	0.7
550.18634	0.6
556.99353	0.6
565.20673	9.5
566.21185	1.2
581.20355	0.7
595.22076	0.7
612.21558	0.6
613.22852	13.1
614.23419	1.7
708.10382	0.6
761.28137	17.4
762.28546	3.8
775.27856	1.5
779.28827	0.6
791.29175	1.6
809.30316	6.5
810.30463	1.1
923.33563	1.3
954.34839	0.6
971.33203	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	971.3566
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99689	0.2
69.03337	0.2
69.35816	0.2
71.00918	0.3
71.01241	1.2
71.30962	0.4
81.03326	0.2
85.02817	0.6
87.00765	0.5
89.02319	0.8
93.03339	6.3
94.03685	0.3
95.01276	0.5
95.04920	0.3
97.02864	0.3
101.02348	0.9
105.03368	0.4
107.04884	0.2
108.02069	0.4
109.02859	0.9
111.00733	0.2
111.96933	0.2
113.02345	0.2
116.91385	0.2
119.03379	0.3
119.04906	0.4
121.02849	5.7
122.03635	14.6
123.00763	0.6
123.04396	0.9
124.01563	0.7
125.02306	0.3
133.02859	1.7
134.03645	0.9
135.04413	1.7
136.01567	3.2
137.02356	2.0
137.18849	0.2
138.03117	0.3
139.03931	0.4
139.17136	0.2
145.02855	0.3
146.03633	0.7
147.04413	0.3
149.02356	20.6
149.05988	0.9
150.03137	100.0
151.00317	1.8
151.03853	4.8
152.04613	0.4
155.03342	0.3
161.02371	0.7
161.06006	0.6
162.03111	1.1
163.03931	0.5
164.04701	3.9
164.05971	0.3
165.05492	99.1
166.02638	5.2
166.05812	3.4
167.03398	0.4
173.04486	1.1
175.03925	0.4
176.04636	0.3
177.01886	2.5
177.05527	0.9
178.02560	0.4
179.03391	0.6
179.05490	0.3
179.07057	4.3
180.04207	7.4
180.07535	0.3
181.04993	7.9
181.80740	0.2
182.05260	0.3
187.03978	0.5
188.04680	0.2
191.03673	0.4
191.05511	2.8
192.04253	0.4
192.05893	0.3
193.05016	0.4
195.06566	77.4
196.06889	3.7
204.04208	0.3
205.05006	1.1
205.08591	0.2
207.06525	0.7
219.06607	1.1
220.07285	0.9
221.08206	0.5
225.07571	1.0
261.11258	0.2
269.04593	0.5
271.06094	0.3
285.03967	0.5
339.08734	0.2
359.11322	0.3
372.11984	0.4
387.10733	0.6
387.14911	1.9
402.13281	0.8
403.13739	0.3
417.15567	10.3
418.15872	0.8
421.14313	0.2
449.14536	2.9
471.16455	0.4
535.18500	0.7
565.20770	5.9
566.21014	0.8
577.21057	0.2
583.21375	1.3
595.21912	2.1
596.22028	0.3
611.21515	0.3
612.21545	0.4
613.22925	14.0
614.23114	2.2
667.24005	1.2
668.23785	0.4
713.25946	1.0
714.26379	0.3
743.26770	1.1
744.26984	0.3
761.14844	0.4
761.28107	6.8
761.41766	0.4
762.28802	1.4
773.27197	0.5
778.62946	0.2
791.29205	2.7
792.29016	0.7
809.30267	17.0
810.30737	4.0
971.32971	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.3552
Annotation	Unknow
Peak:m/z	Relative Intensity
79.45731	0.3
87.00778	0.4
93.02753	0.6
93.03335	6.0
95.01278	0.5
95.04885	0.5
105.03343	0.4
108.02063	0.6
109.02869	1.1
121.02841	5.7
122.03633	15.7
123.04385	1.1
124.01565	0.7
125.02363	0.4
132.02072	0.4
133.02841	2.1
134.03651	1.8
135.04381	1.7
136.01575	4.0
137.02351	3.8
138.03067	0.3
146.03647	1.3
147.04434	0.5
148.01581	0.4
149.02350	21.1
149.05992	1.0
150.03131	100.0
151.00281	1.6
151.03902	7.7
152.01155	0.3
152.04683	0.8
161.02287	0.4
161.05986	0.5
162.03024	0.3
163.03821	0.4
164.04718	5.0
165.05482	92.4
166.02625	6.4
166.05832	3.9
167.03345	0.6
173.04501	0.8
173.45155	0.3
175.03914	0.6
177.01881	0.9
177.05533	1.7
179.03435	0.9
179.05507	0.4
179.07065	6.5
180.04201	6.0
181.04997	8.3
182.05351	0.5
184.03714	0.4
187.04010	0.7
191.05563	1.6
192.04166	0.5
193.05099	0.4
194.05841	0.4
195.06558	57.6
196.06877	2.9
204.04201	0.3
205.04961	1.9
206.05783	0.5
206.98933	0.3
207.06493	0.5
219.06624	1.8
220.07332	1.5
225.07629	0.3
278.45438	0.3
300.82028	0.3
315.08704	0.6
329.10245	0.8
387.10135	0.4
387.14917	1.9
402.13092	1.1
415.13965	0.4
416.14328	0.4
417.15512	8.9
418.15906	0.9
449.14456	3.4
520.17065	0.3
535.17804	1.1
550.18384	0.7
565.20776	13.9
566.21271	2.2
583.20966	0.9
595.21869	3.0
596.22363	0.5
613.22900	11.9
614.23297	2.3
619.22253	0.6
667.24219	1.3
704.96460	0.4
713.26074	2.7
714.26678	0.7
743.27100	2.1
761.28076	6.8
762.28888	1.4
773.27875	1.1
791.29193	3.6
792.29315	0.7
809.30316	16.0
810.30682	4.4
939.26508	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.3537
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99708	0.4
69.25786	2.3
71.01252	0.8
81.03378	0.3
87.00742	0.5
89.02326	0.8
89.76762	0.2
93.03332	6.3
95.01267	1.1
95.04880	0.4
101.02335	0.7
105.03371	0.5
106.08599	0.3
107.04916	0.5
108.02029	1.1
109.02825	2.1
111.00779	0.4
113.02351	0.5
117.03387	0.4
119.03405	0.3
119.04951	0.3
121.02848	6.6
122.03629	14.1
123.00768	1.0
123.04440	2.6
124.01546	0.9
125.02370	0.5
132.02052	1.1
133.02847	3.0
134.03616	4.5
135.04428	1.2
136.01566	7.4
137.02348	7.2
137.03160	0.2
138.03125	0.9
139.03938	0.6
145.02853	0.8
146.03624	2.0
147.04459	1.5
148.01576	0.5
149.02347	32.9
149.05975	5.1
150.03127	100.0
151.00291	2.6
151.03923	19.0
152.01019	0.8
152.04707	2.2
153.01833	1.1
153.05521	0.4
155.03372	0.4
159.04376	0.4
161.00870	0.3
161.02293	1.3
161.04759	0.3
161.05986	1.4
162.03166	1.9
163.03900	0.9
163.11174	0.2
164.04691	8.2
165.05478	95.4
166.02623	8.4
166.05846	3.7
167.03413	1.7
172.57166	0.3
173.04509	0.8
175.03922	1.5
176.04756	0.4
177.01868	0.9
177.05473	3.4
178.02600	0.8
179.03433	1.2
179.05544	1.2
179.07025	10.0
180.04189	6.7
180.07437	0.4
181.04979	11.4
182.05298	0.4
184.03703	1.1
187.03886	1.4
188.04738	0.3
190.02756	0.5
190.06180	0.8
191.03445	0.7
191.05511	1.4
191.07014	0.3
192.04204	0.7
193.04950	2.0
194.05698	0.3
195.06551	43.3
196.06894	1.2
199.53583	0.2
202.06194	0.5
203.03386	0.5
204.04230	0.4
205.04977	3.7
205.08620	0.3
206.05702	0.6
207.06578	1.1
209.11760	4.3
217.05002	0.3
218.05894	0.2
219.06596	1.8
220.07300	3.2
221.08064	0.4
225.07736	0.4
227.12852	1.0
233.08253	0.4
235.09669	0.4
266.05792	0.7
275.09268	0.5
282.05219	0.6
297.07568	0.4
314.07983	0.5
315.08670	1.4
325.07141	0.4
325.98563	0.3
329.10370	1.8
341.10248	0.5
343.11963	0.4
355.11545	0.8
367.11597	0.4
370.14056	0.3
370.42792	0.3
371.11249	0.5
372.11942	0.5
373.12076	0.6
386.13882	0.5
387.10632	1.0
387.14987	1.8
394.85986	0.3
401.11884	0.4
402.13071	1.7
403.14011	0.8
416.14795	1.3
417.15524	9.1
418.15573	0.5
421.15137	0.4
449.14627	2.9
471.16678	0.7
511.14215	1.1
520.17230	0.6
535.16425	2.1
536.15582	0.4
549.17511	0.8
550.18243	2.2
551.19012	0.8
564.19861	1.9
565.20752	23.8
566.21033	2.6
577.20868	0.3
581.20062	1.0
583.21289	0.3
595.21881	3.4
596.22101	0.7
612.22156	1.6
613.22821	12.1
614.23328	1.8
619.21942	2.1
620.21887	0.5
627.51721	0.3
649.22778	0.4
667.23926	1.9
668.23022	0.3
685.24707	0.6
713.26013	17.2
714.26331	2.6
725.25812	0.7
743.27045	10.2
744.27448	2.1
761.28058	21.0
762.28442	4.4
773.27954	2.9
774.27698	0.6
791.29138	6.6
792.28516	1.2
809.30286	26.3
810.30603	5.4
897.75824	0.3
971.33850	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.3395
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99315	0.7
68.99686	11.7
69.02911	0.4
69.03322	23.6
71.01251	41.6
71.50784	0.5
72.99180	3.2
73.02799	1.3
75.00735	0.4
77.05589	0.4
77.99275	0.4
83.01245	1.1
85.02824	7.9
87.00736	3.1
89.02314	49.5
90.02650	0.6
91.05440	0.5
93.03318	2.5
95.01257	4.3
95.04900	30.3
96.05222	0.9
99.00747	0.8
99.04389	1.8
101.02321	41.4
102.02650	0.9
106.04131	0.9
107.03396	0.6
108.02012	1.1
109.02859	0.5
111.00767	17.7
112.01536	0.4
113.01528	0.7
113.02324	17.0
119.03389	21.0
119.04836	3.9
120.03703	0.4
121.02840	100.0
121.06463	3.5
122.03165	2.8
123.04404	21.1
124.04775	0.5
125.02306	0.8
127.03889	9.9
131.03386	3.2
135.04385	0.9
137.05980	2.7
139.00256	14.9
139.03922	1.7
140.00641	0.4
140.38876	0.4
143.03392	6.6
145.02832	0.5
147.04416	7.0
149.02347	4.6
149.04427	1.9
151.03995	0.6
153.01878	0.7
153.05470	0.8
159.13634	0.4
161.04457	7.6
163.03902	1.5
165.05481	17.1
179.05554	50.1
179.07079	9.4
180.05949	0.9
181.04958	4.7
191.03470	3.9
191.05551	1.8
209.04488	3.0
213.07671	0.5
223.06065	35.8
224.06453	1.7
228.30542	0.4
241.07191	0.6
301.09293	0.5
304.68494	0.4
327.11267	0.5
333.08282	3.3
357.13702	0.8
371.09808	40.7
372.10257	2.6
375.12906	0.4
403.12424	46.1
404.12750	2.9
444.23758	0.4
771.01154	0.5
945.34601	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.3972
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01398	0.9
67.01756	10.2
69.03317	3.9
71.01245	3.7
81.03335	2.7
83.04876	2.4
85.02843	3.1
87.00748	15.5
93.03333	83.7
94.03666	2.0
97.06445	0.5
99.00748	1.2
99.04392	1.5
101.02330	0.9
107.01260	0.9
109.02821	1.9
111.04406	12.4
113.02322	1.0
115.03896	0.6
119.04944	0.5
127.03902	0.6
129.01808	1.9
133.02869	0.9
134.03635	12.8
135.04463	4.2
137.02328	1.7
138.02649	0.5
143.03354	0.5
150.03160	0.5
151.00264	1.7
155.03397	2.7
161.02394	0.5
165.01849	2.5
165.05431	0.6
166.02397	0.8
173.04474	33.4
174.04750	1.0
177.01843	1.2
178.02603	3.1
179.03368	1.4
180.04102	1.6
181.04814	1.3
190.71136	0.5
191.05540	22.6
192.05865	1.1
193.54770	0.5
195.06609	2.3
196.06900	0.8
203.10863	0.5
205.04945	0.5
225.07635	2.0
226.07997	0.7
231.10185	0.9
269.04608	1.1
275.09247	1.3
285.04144	0.6
285.91187	0.5
290.14780	0.4
293.10242	5.3
294.10681	0.7
439.77890	0.6
447.09375	0.8
449.14465	12.9
450.14743	1.2
467.15570	100.0
468.15961	10.3
644.23846	1.1
645.25128	0.8
807.24127	1.1
969.30469	1.9
970.29248	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.5628
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99678	0.5
69.03321	1.5
71.01252	25.2
71.50470	0.4
72.90154	0.2
72.99191	2.3
73.02821	3.3
73.39514	0.2
75.00753	0.6
78.91702	0.2
78.95786	0.4
81.03333	0.9
83.01262	2.9
83.04894	0.4
85.02823	5.7
85.99950	0.3
87.00747	5.7
87.04408	0.3
87.57988	0.2
89.02313	20.8
90.02647	0.2
91.03890	0.3
93.03342	0.7
95.01251	1.7
96.95864	0.5
97.02827	4.4
99.00774	1.4
99.04391	0.4
101.02317	19.1
102.02664	0.4
103.03894	0.4
109.02812	0.4
111.00765	0.6
111.04376	0.5
113.02330	9.8
115.03884	0.6
119.03384	6.4
119.04795	0.3
121.02892	0.4
125.02328	9.0
127.03897	0.5
131.03401	1.2
133.04977	0.9
135.04408	0.3
139.03912	0.7
141.01819	0.7
143.03400	3.8
148.08810	0.5
149.04469	0.7
150.10393	0.6
151.11142	0.3
152.99506	0.4
161.04453	4.4
163.11192	0.3
165.11366	0.5
165.12759	9.1
166.13107	0.4
167.03409	0.6
169.04956	0.7
173.04404	0.3
179.05513	4.3
185.04503	0.4
191.05580	1.5
191.14275	0.4
209.11684	0.3
217.07072	0.6
221.06599	1.9
235.08188	10.0
236.08432	0.5
245.06601	0.6
247.20660	5.9
248.20973	0.3
253.09222	1.9
263.07736	0.7
273.18591	2.7
274.18918	0.2
275.20050	0.4
277.21713	60.5
278.22049	4.6
287.07703	3.1
291.19653	34.3
292.20013	2.3
305.08749	3.9
323.09723	1.8
361.11426	0.3
379.12360	0.6
397.13470	100.0
398.13770	6.8
415.14557	33.8
416.14951	2.5
646.97388	0.3
675.35938	3.8
676.36438	0.6
691.19031	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.3969
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01760	8.3
69.03316	2.8
71.01247	3.8
71.51383	0.4
73.02811	0.5
74.17416	0.3
80.18558	0.3
81.03316	1.8
83.04883	1.3
84.91177	0.3
85.02819	1.5
87.00751	12.9
91.92705	0.3
93.03335	75.5
94.03668	1.7
95.76568	0.3
97.02849	0.4
99.00745	1.2
99.04375	0.9
101.02335	0.7
109.02831	1.2
111.04405	10.5
112.04684	0.4
113.02325	1.1
115.03864	0.8
119.04970	0.3
121.02808	0.3
129.01826	1.7
133.02872	0.6
134.03635	8.0
135.04448	2.5
137.02325	1.0
143.03383	0.9
150.03194	0.6
151.03830	0.3
155.03397	2.4
155.10693	0.4
165.01845	0.5
165.05531	0.5
173.04471	35.4
174.04829	1.0
174.06561	0.3
177.01880	0.5
178.02675	2.0
179.03391	0.9
191.05539	11.7
192.05923	0.4
195.06519	0.3
231.10298	0.7
255.02965	0.5
257.08234	0.4
275.09244	0.7
293.10275	3.2
449.14496	14.0
450.14890	1.8
467.15564	100.0
468.15878	10.6
645.24994	0.4
730.12439	0.3
969.31445	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.5595
Annotation	Unknow
Peak:m/z	Relative Intensity
68.93350	0.3
68.99626	0.2
69.03299	0.4
69.66993	0.7
69.67415	1.1
71.01250	7.5
72.99177	0.6
73.02802	1.0
75.00688	0.3
78.95770	5.3
81.03286	0.3
82.95286	0.3
83.01250	0.5
85.02812	1.8
87.00737	1.5
89.02321	5.9
93.03323	0.4
95.01277	0.5
97.02827	0.8
99.00711	0.4
101.02323	4.5
111.08016	0.4
113.02335	2.7
119.03379	1.6
125.02350	1.9
131.03439	0.2
135.04445	0.4
143.03371	0.8
149.98088	0.2
152.99483	7.9
159.86127	0.3
161.04483	1.3
167.10683	0.5
171.00497	0.7
171.10149	0.3
177.12788	0.4
179.05511	1.8
179.14325	0.8
181.12314	0.3
191.05507	1.1
195.13826	7.5
196.14377	0.6
205.12230	0.7
205.15979	0.4
209.11700	0.5
211.13293	0.5
221.06581	0.7
223.13341	5.1
224.13593	0.3
225.14944	0.3
227.03317	1.4
228.13657	0.6
231.21095	0.4
235.08215	2.1
245.04265	1.1
250.21330	0.2
253.09184	0.5
255.23260	53.0
256.13223	0.7
256.23639	4.5
265.21738	0.4
275.20166	5.3
276.20535	0.3
277.21732	0.3
287.07675	0.7
293.21213	100.0
294.21545	6.3
305.08652	0.6
323.09808	0.5
344.15454	0.3
358.66788	0.3
379.12323	0.9
397.13483	15.7
398.13867	0.6
410.46924	0.2
415.14545	9.7
416.15179	0.4
481.25693	0.8
482.25980	0.8
483.27258	38.7
484.27609	4.3
485.28033	0.6
511.94131	0.3
569.41766	1.3
654.27075	0.5
673.34290	1.1
691.35181	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	965.5368
Annotation	Unknow
Peak:m/z	Relative Intensity
67.14449	0.8
70.46162	0.6
71.01252	0.8
71.51053	0.9
78.95770	35.6
96.74480	0.6
96.96828	2.5
127.93652	0.8
150.97920	1.2
152.99483	54.0
153.99809	0.9
171.00537	8.3
191.05583	0.8
227.03203	5.8
245.04279	26.4
253.21687	10.2
254.21983	0.9
255.23260	100.0
256.23663	7.1
273.61191	0.8
322.27469	0.8
377.20135	0.8
383.69684	0.7
400.89731	0.7
481.25699	87.5
482.25958	13.6
483.27234	78.8
484.27567	9.7
918.62665	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.3451
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01772	1.0
69.03343	0.3
71.01243	1.2
81.03352	0.4
85.02812	1.7
87.00768	0.5
93.03348	1.7
95.01259	0.3
98.20573	0.9
101.02317	0.9
107.04950	0.7
109.02831	3.4
111.00748	0.4
111.04379	0.3
115.00253	0.4
117.03401	0.4
119.04941	0.3
121.02836	0.7
123.00783	1.3
123.04433	0.6
124.01569	0.6
125.02333	0.8
127.03925	0.6
135.04437	2.2
136.01555	1.4
136.04704	0.6
137.02339	20.6
138.02686	0.5
139.03920	0.7
142.35390	0.4
147.00774	0.8
147.04422	0.4
149.02368	1.3
150.03082	3.4
151.00267	7.8
151.03902	3.8
152.01041	1.0
152.04694	2.3
152.98441	0.3
153.01828	0.8
153.05446	0.5
155.03467	0.5
159.04436	1.0
161.02359	0.9
162.03120	0.9
163.03923	0.9
163.25255	0.3
164.01030	2.2
164.04608	0.5
165.01837	85.6
165.05470	3.9
166.02621	24.7
167.03397	3.2
173.02339	0.4
173.04485	0.7
175.02533	0.3
175.03914	1.7
176.01065	0.3
176.04579	0.5
177.01796	1.8
177.05502	1.2
178.02602	1.0
179.03415	20.4
179.06978	0.6
180.04195	47.1
181.04974	30.5
181.07339	0.5
182.05373	1.2
184.03680	1.3
187.03839	1.5
187.07541	0.6
187.22078	0.3
190.02742	0.5
190.06239	0.9
191.03748	0.7
191.05525	14.9
191.06831	0.6
192.04140	1.0
192.05927	1.0
193.04790	1.5
194.05788	3.2
195.02965	2.4
195.06548	63.7
196.06915	2.6
202.06438	0.4
203.03432	0.3
205.04990	5.9
205.08479	0.7
206.05728	0.7
207.06483	1.9
209.04402	0.5
209.08110	0.9
210.05269	10.7
219.06386	0.3
220.07365	3.7
221.07912	0.7
225.07626	44.1
226.08044	1.8
235.09747	0.5
257.08163	0.7
258.08270	0.4
269.04651	0.9
281.04541	0.5
284.03339	1.1
285.03961	2.6
298.66397	0.3
341.10428	0.4
344.08832	0.4
345.09720	0.5
353.08786	2.5
354.08960	2.1
355.08676	0.7
359.11398	1.7
360.11646	0.6
371.11493	0.9
372.12131	0.6
385.12891	0.6
386.13571	1.1
387.10205	3.5
387.15231	2.9
388.11194	0.6
388.15759	0.4
402.13052	3.3
403.13898	1.5
416.14688	4.2
417.15512	44.3
418.15796	4.4
447.09152	3.2
449.14484	0.6
467.15332	0.5
516.12952	0.3
547.16187	0.4
550.18262	1.0
565.16473	2.2
580.19574	2.3
583.22089	0.6
595.21814	53.0
596.22058	7.0
613.22858	1.2
625.23053	2.9
626.23944	0.6
631.19220	0.5
643.23907	100.0
644.24298	16.5
757.26959	0.7
805.29346	4.6
806.29535	0.9
967.30725	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.6861
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01772	0.4
68.99661	0.4
69.03318	0.3
69.29454	1.0
69.29876	1.8
71.01248	1.0
80.30475	0.3
81.03334	6.0
82.03674	0.4
83.04897	15.4
85.02813	1.0
87.00741	0.8
87.80183	0.3
89.02296	0.4
93.03333	3.3
94.03652	0.4
96.95849	0.5
101.02325	0.5
107.06012	0.3
107.47152	0.3
108.04424	0.6
109.02792	0.4
111.04411	0.3
119.04858	0.3
121.02782	0.4
124.29922	0.3
125.07061	1.3
126.05551	0.5
127.03875	0.5
133.02858	0.6
135.04378	0.8
137.02281	0.5
150.03070	1.0
157.13354	0.3
161.02365	0.4
165.05441	0.8
173.04448	1.2
177.01823	0.3
179.03415	0.6
191.05551	8.2
192.05824	0.7
207.14948	1.2
224.17647	3.3
225.16029	10.8
242.18773	0.4
255.03011	0.7
283.02386	0.4
284.03134	0.7
285.04172	0.9
309.21826	0.8
324.26428	0.4
333.23004	0.6
339.27698	0.4
341.29312	1.1
367.27237	0.9
433.31708	1.2
449.14420	0.5
450.34283	1.1
451.32904	9.3
452.33194	1.8
467.15421	1.2
513.10602	0.3
550.43628	0.5
567.45618	0.4
609.15814	0.7
677.49475	2.8
678.50366	0.6
776.59882	0.5
806.70715	0.3
885.65515	0.4
903.66479	100.0
904.66785	27.8
963.35614	1.0
964.35370	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.5884
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03318	1.8
71.01250	16.1
72.16851	0.7
72.99158	1.6
73.02814	2.2
74.36291	0.7
80.73151	0.7
83.01260	2.4
83.04897	1.0
85.02818	9.6
85.39629	0.7
87.00752	4.1
89.02312	12.9
89.79546	0.8
95.01268	1.3
97.02831	4.4
97.06477	1.2
99.00743	1.4
101.02319	11.5
102.97074	0.9
113.02319	6.3
119.03378	3.6
125.02339	3.2
125.09586	1.0
131.03320	0.9
137.09634	1.8
143.03377	1.4
161.04485	2.4
165.12798	0.9
171.10182	22.0
177.12724	0.9
179.05478	1.8
183.13823	1.3
188.43224	0.9
211.13300	10.9
221.11815	1.4
229.14415	6.3
235.08102	4.3
253.09222	1.9
255.23259	33.7
256.23630	1.5
287.07520	1.2
291.19577	2.5
305.08862	1.7
309.20688	7.4
323.09717	1.0
327.21738	100.0
328.22092	8.0
359.81873	1.1
397.13480	53.2
398.13730	2.7
415.14548	15.7
416.14774	0.9
454.06046	1.0
565.44427	2.3
653.37439	4.6
707.35205	6.5
708.34937	1.0
725.36145	3.0
775.98358	0.9
963.59375	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	961.3557
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01746	3.1
69.03317	1.4
71.01254	4.3
71.51392	0.9
72.13612	0.6
72.99214	0.9
81.03311	1.3
83.04899	1.1
85.02827	13.7
87.00745	5.9
89.02309	1.2
93.03336	20.0
95.01304	0.8
97.02812	0.8
99.00701	0.6
99.04408	1.0
101.02309	2.0
105.03341	1.9
107.04888	0.8
108.02048	2.3
109.02846	5.5
111.04410	3.4
113.02295	0.9
119.04839	0.7
121.02847	3.6
122.03604	1.3
123.00825	0.7
123.04390	1.4
124.01592	4.2
125.02322	2.7
127.03902	4.0
129.05449	0.6
132.02057	2.0
133.02838	12.5
134.03638	4.8
135.04414	87.3
136.04768	1.4
137.02347	4.0
146.23442	0.7
146.28513	0.6
148.05202	0.8
149.02310	1.7
149.05931	1.4
150.03116	5.9
150.66235	0.6
151.03906	7.7
151.95639	0.6
153.01855	1.1
154.02606	0.7
155.03407	2.1
159.04376	1.1
160.01563	1.5
161.02374	4.7
161.04507	0.6
162.03130	0.8
163.03905	1.2
163.07545	0.8
165.01971	0.7
165.05525	3.2
172.05238	1.0
173.04465	7.4
173.05853	0.9
174.03133	1.4
177.01871	3.6
178.02605	1.4
179.03426	17.2
180.04156	1.2
181.04929	1.0
187.03937	1.0
191.05539	100.0
192.05844	3.2
195.06587	1.3
200.04671	1.3
211.13347	1.6
215.05563	2.2
227.03569	0.9
231.02888	0.6
248.10110	0.7
281.15402	0.8
283.13351	1.3
285.04044	0.8
299.16385	1.1
301.14349	1.0
307.08206	1.1
308.09036	3.8
309.14966	3.3
325.14505	1.6
327.15884	4.8
329.14352	0.8
351.07251	5.6
352.08032	4.1
353.08829	1.1
353.13876	5.0
371.14963	2.3
439.17761	1.2
449.14438	2.1
672.87750	0.7
725.29095	1.3
727.27301	0.8
743.31244	1.3
751.28186	1.4
769.29248	42.2
770.29846	4.7
787.30438	2.9
943.34131	4.3
961.35571	33.1
962.35883	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	959.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01405	0.8
67.01759	13.3
67.87026	0.5
68.02091	0.4
68.99683	1.6
69.03326	4.7
71.01244	4.4
71.06787	1.1
72.09200	0.5
80.76472	0.4
81.03335	2.2
83.04887	1.6
85.02813	1.8
87.00749	17.9
89.02307	1.0
93.03334	100.0
94.03663	2.7
95.01276	0.7
99.00762	2.2
99.04391	1.6
101.02341	2.6
109.02850	1.1
111.04400	11.6
112.04742	0.5
113.02335	1.1
115.03866	0.9
119.04935	0.8
123.04449	0.5
125.02332	0.6
127.03902	0.6
129.01849	2.1
133.02872	1.2
134.03625	8.7
135.04424	5.0
137.02386	2.2
137.05913	0.4
138.29100	0.4
143.03426	0.9
149.02271	0.9
150.03120	1.1
151.03844	0.9
154.06386	0.4
155.03397	3.4
162.03181	0.8
163.03944	0.5
165.05476	1.2
166.06442	0.7
169.55824	0.5
173.04469	40.7
174.04825	1.2
177.01837	1.3
178.02701	3.5
179.03407	2.1
181.05040	0.9
191.05540	10.6
192.05814	0.7
193.04970	0.6
201.30351	0.4
211.05927	0.5
215.07082	0.5
232.18037	0.6
236.07117	0.5
275.09183	1.1
283.02478	0.5
293.10327	2.0
351.07385	0.5
393.77045	0.5
429.14355	0.5
449.14499	39.1
450.14923	3.3
467.15570	99.6
468.15881	9.6
499.13651	0.4
572.17651	3.4
769.74530	0.6
959.33698	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	959.33
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01758	42.0
68.99319	2.1
68.99686	35.0
69.03326	36.1
71.01254	24.9
71.08820	2.6
72.99168	3.2
75.84277	0.9
75.98404	1.0
78.95782	1.3
79.95599	1.3
80.51585	0.9
80.96408	1.5
81.05733	0.9
82.02837	1.8
83.01250	1.6
85.02823	6.8
87.00736	1.8
89.02313	15.9
92.04981	1.3
93.03330	6.8
95.01258	2.4
95.04890	2.9
96.95879	8.2
97.02798	1.1
99.00760	2.2
100.46864	1.0
101.02323	44.7
112.01540	2.4
113.02332	7.7
119.03407	5.7
119.04928	1.0
121.02839	5.2
122.03617	2.1
123.04314	1.4
127.03905	100.0
128.04234	2.6
129.01811	3.4
131.03622	4.3
132.04428	6.0
133.02866	1.0
135.03520	1.0
135.04398	5.4
136.01511	1.1
137.02318	2.1
144.04477	4.6
145.02879	1.2
147.04395	2.5
149.02347	5.0
150.03136	11.7
151.03896	2.9
155.03352	1.2
157.07671	4.8
158.06036	1.6
161.02251	1.1
162.03067	1.1
163.03908	3.1
164.04625	1.3
165.05498	7.0
167.06015	11.3
173.04456	1.7
179.03323	1.4
181.04929	2.7
183.05571	2.3
185.07106	3.2
189.05467	1.4
191.05533	16.1
195.06613	5.8
241.05006	1.4
241.09863	1.4
254.04404	1.1
255.06596	5.9
256.06641	1.2
261.06320	0.9
269.07748	1.2
270.08914	4.5
271.09521	1.6
298.08212	1.5
299.08719	1.5
301.10837	6.1
313.10278	1.1
314.07907	1.2
329.10095	2.1
331.11002	1.8
341.09781	1.5
341.13953	1.1
343.11838	2.0
357.13190	1.5
359.14709	1.9
361.61060	1.1
363.42932	1.0
371.15485	1.2
373.12088	1.4
419.12756	5.0
433.14389	1.4
434.14398	2.2
449.14716	1.9
488.19363	1.2
503.18124	3.2
539.77643	1.1
551.19330	1.6
625.20044	3.1
651.21777	2.4
683.24426	8.8
684.24261	1.8
695.21582	2.1
727.23358	8.7
765.24817	2.4
959.32971	78.3
960.33545	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	951.3853
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01763	3.0
68.99688	0.3
69.03321	1.2
71.01272	1.7
71.51078	0.5
73.02796	0.4
77.75412	0.3
81.03319	0.7
83.04916	0.6
85.02825	7.9
85.03352	0.4
87.00751	5.6
93.03335	23.2
94.03687	0.5
95.01283	0.3
97.02811	0.4
99.00770	0.4
99.04397	0.8
100.87642	0.3
101.02347	0.3
109.02812	0.8
111.04407	4.1
113.02354	0.3
119.04924	0.4
127.03884	2.4
129.01787	0.6
133.02882	0.8
134.03635	1.2
135.04424	2.1
137.02386	0.3
143.03450	0.4
153.01840	0.3
155.03395	1.0
157.16348	0.2
159.04312	0.3
161.02429	0.4
163.03973	0.3
171.02895	0.7
171.04312	0.4
172.05226	0.6
173.04474	15.5
174.03178	0.5
174.04814	0.4
175.03819	0.2
179.03381	1.3
185.05969	0.3
187.07585	2.4
191.05539	100.0
192.05888	3.3
197.06052	0.4
203.10674	0.4
213.09189	2.2
215.07120	0.5
217.40807	0.4
231.10196	3.9
232.10657	0.4
233.06647	1.6
245.39684	0.3
257.08173	11.3
258.08508	0.6
264.52740	0.3
275.09259	2.8
353.08887	2.7
354.08932	1.0
431.13467	12.1
432.13809	1.3
449.14499	24.9
450.15005	2.4
690.14941	0.3
934.29156	0.3
951.33838	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	953.4019
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01762	12.8
68.99666	1.7
69.03333	3.9
71.01251	21.5
71.04907	0.8
71.51299	1.1
72.01612	1.0
72.99180	1.5
73.02803	4.5
81.03340	2.2
81.32436	0.5
83.01244	2.0
83.04891	2.7
83.80994	0.6
85.02827	8.5
87.00753	18.6
87.04391	1.9
89.02310	7.5
93.03333	100.0
94.03674	2.6
95.01256	2.4
96.95888	1.8
97.02834	1.3
99.00753	3.3
99.04385	1.5
101.02322	13.6
101.05963	3.1
105.03304	0.9
109.02834	2.3
111.00723	0.6
111.04401	12.7
113.02325	10.5
115.03927	0.8
119.03379	3.4
123.04437	0.8
124.01522	0.9
125.02334	1.9
127.03922	1.2
129.01842	2.2
132.02043	0.7
133.02864	4.0
133.03700	0.7
134.03625	7.3
135.04420	13.2
137.02327	1.9
143.03445	1.8
149.02399	0.8
149.58452	0.6
150.03206	1.3
151.03946	1.5
155.03442	4.1
155.04489	0.7
159.02931	0.6
160.01634	1.4
161.02379	1.2
161.04469	4.1
162.03151	2.2
165.05394	0.7
173.04471	39.5
174.04793	1.1
177.01787	0.9
179.03380	2.5
179.05548	1.6
191.05527	22.3
192.05853	1.8
231.10204	4.1
255.19664	1.3
275.09192	5.7
285.03973	1.8
297.20874	1.5
351.07019	0.7
352.07861	1.8
353.08929	0.6
399.23877	44.4
400.24008	4.2
417.24927	29.6
418.25275	3.3
449.14499	98.5
450.14746	8.9
459.26019	23.0
460.26343	3.5
559.22272	1.4
676.87378	0.7
791.31653	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.3503
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01749	1.3
68.99677	1.0
69.03329	0.7
71.01247	2.4
71.51061	0.5
71.51482	0.6
73.02811	0.4
78.95773	0.6
81.03331	0.8
83.01273	0.4
83.04882	0.8
83.53911	0.4
85.02821	15.3
87.00741	3.9
93.03332	8.1
94.03672	0.4
95.01241	2.1
96.95863	1.4
97.19578	0.4
99.00721	0.6
99.04366	0.7
101.02290	1.1
103.82862	0.4
108.02030	0.4
109.02843	1.6
111.04399	1.9
113.02327	0.7
119.04929	0.5
123.04399	0.6
127.03903	4.0
133.02861	0.6
135.04424	2.2
135.15756	0.4
137.02347	1.2
150.03056	0.7
151.03926	0.5
155.03378	1.1
159.04437	1.0
160.05212	0.5
161.02350	0.9
171.02869	1.1
171.04314	0.5
171.27821	0.4
172.05191	3.5
173.04463	3.6
173.05888	0.6
177.01874	3.3
179.03398	0.8
183.04524	0.7
184.05199	0.4
186.06841	0.6
187.03911	1.3
191.05534	100.0
192.05861	3.2
195.06606	0.4
196.05157	0.4
197.06001	2.3
198.06821	0.6
199.03940	7.1
200.04724	4.1
201.05380	0.7
204.04204	1.7
209.11850	0.8
211.03973	1.6
211.07509	0.8
213.05591	0.9
214.06241	1.1
227.03445	25.3
228.04199	14.6
229.04753	0.5
232.03630	0.8
239.14520	0.5
246.05264	0.5
257.15427	1.0
267.13907	1.3
283.13394	25.9
284.03192	0.4
284.13797	1.6
285.04147	1.9
301.14450	7.0
307.13364	0.5
309.14948	10.8
310.15250	0.7
311.12891	5.5
325.11075	0.4
325.14377	2.4
327.12317	1.3
327.16037	4.5
328.16220	0.5
329.13910	4.8
330.14389	0.5
335.12985	0.8
343.15546	1.3
343.21362	0.5
345.16995	2.2
353.09442	0.5
353.13885	8.1
371.14975	90.0
372.15317	7.4
429.13699	0.5
449.14648	0.8
517.50018	0.5
563.21362	6.5
564.22345	0.7
579.22388	1.0
629.18872	0.4
708.62927	0.4
771.29083	1.7
951.35162	13.4
952.35297	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	951.3137
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01762	0.4
69.03313	0.6
83.01251	0.3
85.02814	0.7
87.00738	0.4
93.03339	3.2
107.01272	1.0
109.02859	0.6
111.04379	0.7
121.02798	0.3
133.02835	3.3
134.03551	0.4
135.04462	0.4
137.02309	0.6
149.02408	1.3
151.00281	2.3
155.03369	0.8
157.27347	0.3
173.04475	9.9
174.04742	0.3
175.03883	1.4
183.10239	0.6
191.05537	2.5
199.04002	1.4
201.01862	0.5
211.03847	0.3
213.05573	0.5
215.03372	0.3
217.04984	1.0
227.03340	0.4
241.04977	0.5
243.02998	0.7
256.03674	0.9
257.04562	0.6
266.39014	0.3
283.02441	0.7
284.00021	0.4
284.03275	12.2
285.04034	100.0
286.04391	7.1
297.04108	0.4
327.04950	0.5
357.15555	4.0
381.19226	1.4
447.09497	0.3
593.15100	90.8
594.15454	11.1
707.14728	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	948.4802
Annotation	Unknow
Peak:m/z	Relative Intensity
71.51283	23.8
78.95777	100.0
126.09873	12.3
131.91919	12.2
152.99454	85.4
186.75641	12.7
191.05499	27.8
209.11774	49.2
210.11957	19.1
228.26642	14.1
284.03296	18.4
285.03964	18.5
503.27988	32.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.6107
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03318	0.9
69.95152	0.4
69.95551	0.8
71.01256	13.7
72.99193	1.3
73.02820	2.4
74.83984	0.2
75.00729	0.6
78.95786	1.5
78.96146	0.2
81.03314	0.7
83.01256	1.6
83.04874	0.3
85.02824	3.5
87.00755	3.3
89.02319	12.7
93.03340	0.3
95.01256	1.0
97.02825	2.4
97.06445	0.3
99.00746	0.8
99.04395	0.3
101.02325	10.8
102.02644	0.3
103.03912	0.2
111.04393	0.7
113.02328	5.2
113.09595	1.5
119.03391	3.7
121.02808	0.2
125.02348	5.6
126.02774	0.2
131.03406	0.4
133.01355	0.3
133.04926	0.5
135.04369	0.3
139.03853	0.5
141.01874	0.3
143.03424	2.3
149.04518	0.3
149.65428	0.2
152.99480	2.0
158.34686	0.2
161.04465	2.1
166.60405	0.2
169.05029	0.3
177.12807	0.3
179.03400	0.2
179.03996	0.3
179.05547	2.8
179.14319	1.1
179.28192	0.2
181.02074	0.2
181.12228	0.3
185.04520	0.4
191.05490	0.5
192.05989	0.2
195.13843	16.4
196.14125	0.7
209.11769	0.5
217.07117	0.4
221.06627	1.4
233.25613	0.2
235.08194	6.0
251.23845	0.5
253.09311	1.1
255.23276	36.3
256.23663	2.5
263.07806	0.5
269.24820	0.4
277.09174	0.3
277.21725	13.3
278.22131	1.1
283.46432	0.2
287.07709	2.0
295.22781	100.0
296.23123	7.5
305.08804	2.2
323.09879	0.7
379.12424	0.5
397.13495	63.4
398.13831	3.7
415.14578	18.4
416.14767	1.7
447.09253	0.3
457.63358	0.2
497.47226	0.3
503.28226	0.4
515.99860	0.3
653.37628	6.2
654.37659	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	948.4797
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01248	26.9
71.50520	1.6
71.50883	2.1
72.01591	3.2
72.99177	3.9
73.02821	4.3
78.95780	3.7
82.30653	1.8
83.01268	3.5
85.02838	5.7
87.00747	7.4
88.35764	1.6
89.02303	24.4
92.43421	1.7
95.01218	2.2
97.02824	4.6
101.02328	20.2
113.02345	9.8
113.09605	9.2
116.91035	1.6
119.03397	9.6
125.02320	8.8
134.63281	1.7
143.03410	3.5
149.09511	1.7
161.04503	3.4
170.23282	1.8
172.79810	1.6
179.05554	3.7
191.05560	5.9
209.11780	4.8
221.06529	2.6
235.08156	10.5
236.08423	2.1
255.23247	59.5
256.23608	21.1
269.88495	2.2
287.07648	3.9
289.30045	1.7
293.21198	46.8
294.21536	15.1
305.08835	5.0
397.13477	100.0
398.09103	3.4
398.13849	33.0
415.14548	27.4
416.14783	8.7
424.47003	2.1
643.26263	2.5
653.37305	4.8
654.37897	6.3
745.35730	2.1
932.29187	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	946.465
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01260	48.1
71.51338	55.5
86.26873	33.8
87.00787	40.1
89.02360	45.2
97.02905	48.7
99.05231	35.3
100.60677	33.2
108.86845	32.8
109.06528	39.2
116.92748	44.2
164.32062	39.7
191.05597	42.9
192.36116	35.1
207.10175	79.1
208.10568	68.6
209.11636	48.7
225.11328	54.0
226.11682	53.3
277.21783	76.9
278.22141	50.8
302.30295	39.4
399.14337	44.8
412.17725	33.8
577.69580	35.5
635.79224	37.7
885.46906	51.5
886.47601	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.5956
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03319	1.0
69.63118	0.8
71.01255	18.5
71.51555	0.7
71.64753	0.8
72.99169	2.3
73.02824	3.9
76.36210	0.8
78.95770	0.7
81.03333	1.5
83.01270	1.9
85.02836	3.7
87.00741	3.8
89.01825	1.5
89.02323	15.5
93.02747	0.7
95.01272	1.6
97.02833	3.4
101.02322	13.6
113.02319	7.8
113.09618	5.5
119.03413	4.4
121.10134	0.9
125.02334	7.6
131.03427	0.8
143.03377	3.3
161.04437	4.7
167.10687	0.8
176.07684	0.8
179.05548	3.5
179.19086	0.7
191.05521	1.4
195.13800	1.3
207.57484	0.9
209.11873	3.9
221.06552	1.5
235.08200	10.0
249.22368	0.8
253.09286	1.9
255.23277	49.7
256.23636	2.7
287.07742	2.4
293.21234	39.7
294.21481	2.6
305.08807	2.6
311.13608	0.8
323.09906	2.0
336.15543	0.9
376.72644	0.8
397.13507	100.0
398.13824	7.8
415.14551	28.0
416.14737	2.9
534.75824	0.9
653.37500	8.4
654.38361	1.0
790.08099	0.8
874.49780	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	946.4641
Annotation	Unknow
Peak:m/z	Relative Intensity
68.33716	16.5
71.01253	60.3
71.50475	20.4
71.91113	13.9
76.36655	13.7
78.95799	24.0
89.02311	28.6
97.02838	18.3
101.02335	32.4
104.41109	14.3
109.06504	36.4
116.92762	38.5
122.99647	14.0
127.96612	16.1
133.37973	14.5
163.37744	17.5
182.88095	18.8
191.05544	55.2
207.10216	100.0
208.10576	42.4
209.10698	16.0
225.11230	33.9
277.21796	62.5
278.22015	68.0
299.49319	17.8
397.13556	52.7
398.13882	34.9
399.14038	24.1
433.10483	16.9
885.47803	33.5
886.47211	76.2
931.42285	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	944.3554
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01758	5.1
69.03316	1.9
69.24474	2.6
69.24899	1.5
71.01252	2.4
73.02814	0.5
78.95789	0.7
81.03324	1.8
83.04887	1.3
85.02823	6.8
87.00755	8.1
89.03861	0.5
93.03336	42.5
94.03686	0.8
95.01261	0.7
96.95903	1.0
99.00736	0.5
99.04401	0.6
101.02297	0.7
108.02068	0.8
109.02833	1.6
111.04404	6.0
113.02328	1.1
115.03918	0.4
115.61124	0.4
116.92756	1.3
117.03355	1.1
117.21168	0.4
121.02897	1.1
123.04403	0.5
124.01563	1.1
125.02316	1.1
127.03900	1.8
129.01849	1.3
132.02061	2.5
133.02856	2.7
134.03639	4.9
135.04414	18.7
136.04784	0.7
137.02332	1.3
143.03316	0.4
149.02309	1.3
150.03137	1.8
150.78181	0.3
151.03900	2.5
155.03412	1.6
160.01570	9.1
161.02258	1.2
162.03105	1.7
165.05426	0.6
173.04472	16.6
177.01854	1.2
178.02654	1.1
179.03421	3.7
180.04250	0.7
181.04929	0.6
186.23911	0.5
187.07542	0.4
191.05537	100.0
192.05872	3.2
195.06558	0.6
215.05553	0.9
231.10269	0.7
257.08221	5.9
265.09521	0.4
275.09174	5.2
285.04141	0.5
307.08234	1.3
308.08948	1.8
351.07184	5.1
352.07950	6.1
353.08655	0.7
357.13440	0.6
362.73865	0.5
449.14517	59.4
450.14835	5.3
462.01764	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.3446
Annotation	Unknow
Peak:m/z	Relative Intensity
66.01305	0.4
66.70033	0.4
67.01771	3.1
68.99684	5.2
69.03330	11.7
69.68743	2.1
71.01255	27.7
72.01616	0.7
72.24886	0.5
72.99177	2.7
73.02814	5.5
73.03152	0.6
74.12003	0.5
78.35367	0.5
82.95866	0.5
83.01252	4.1
85.02824	10.5
86.00005	0.6
87.00766	2.0
89.02316	21.0
93.03345	2.1
94.23985	0.4
95.01266	3.3
95.04899	13.8
97.02837	0.6
97.64671	0.6
99.00758	1.7
99.04408	0.9
101.02321	26.3
102.02628	0.6
105.40780	0.4
108.02067	0.9
111.00767	9.8
113.02335	10.4
119.03387	6.1
119.04927	2.0
121.02844	47.3
121.06464	1.7
122.03691	4.2
123.04410	11.3
127.03924	3.4
131.03436	1.2
132.02051	1.2
133.02841	4.6
134.03638	1.4
136.01541	0.9
137.02400	0.5
137.05980	1.3
139.00279	7.7
139.03862	0.7
143.03415	2.2
147.04414	3.2
149.02347	24.3
149.05981	2.0
150.03130	31.6
151.03656	0.6
159.02945	0.5
161.04514	2.4
161.05751	0.5
163.03918	0.6
164.04681	4.2
165.05481	32.4
166.06241	4.9
167.07040	1.1
179.05551	13.0
179.07068	2.8
180.04175	1.4
181.05002	1.5
181.08614	5.9
191.03470	0.8
195.06543	6.5
209.04454	0.8
223.06064	12.1
224.06396	0.9
283.09583	0.8
314.11591	5.8
315.12296	1.5
329.13962	17.7
330.14172	0.9
343.13980	8.4
344.14420	0.5
357.15451	1.2
371.09827	13.6
372.10266	1.7
397.14682	0.6
403.12430	12.4
404.12723	1.9
476.16705	0.8
491.19223	76.5
492.19489	8.2
521.20526	0.8
539.21320	100.0
540.13452	0.9
540.21661	14.2
906.49915	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.4906
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03333	2.7
71.01250	27.1
71.04869	1.5
71.50632	1.2
72.99185	3.2
73.02821	3.6
78.95754	2.0
81.03320	2.9
83.01247	3.9
83.04882	2.9
85.02824	6.5
87.00747	8.2
89.02309	19.6
95.01260	1.7
97.02831	12.5
99.00751	2.9
99.04374	1.3
100.32264	1.4
101.02314	22.5
109.06469	36.5
113.02332	12.7
119.03402	4.5
121.06422	1.7
125.02340	7.9
131.03354	1.4
135.08028	3.8
136.05159	1.6
139.03845	1.4
141.01822	2.6
142.02614	4.1
143.03378	2.8
147.12531	1.4
161.04439	3.5
161.09657	3.4
163.11200	23.0
164.11560	1.3
179.05504	5.1
179.10713	2.2
181.12230	5.2
182.05472	1.4
189.09084	4.2
191.05591	1.5
207.10190	100.0
208.10573	3.2
209.11716	2.9
221.06674	1.9
225.11256	37.6
226.11656	1.5
235.08188	6.5
243.12425	1.5
265.89532	1.3
277.21710	79.7
278.22037	4.0
287.07913	1.5
299.14990	1.9
305.08734	1.5
319.22372	1.7
379.12482	9.9
397.13477	58.1
398.13943	3.5
415.14484	14.6
418.99817	1.4
571.60773	1.6
587.23840	2.4
605.24097	7.2
623.25598	4.1
675.35187	3.3
865.46680	2.3
883.46924	63.4
884.46790	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	943.4902
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03313	1.9
69.67614	6.8
71.01256	27.1
72.99195	1.5
73.02811	2.9
78.95774	1.4
80.02526	2.0
80.96326	1.1
81.03333	2.3
83.00020	1.2
83.01252	3.8
83.04901	2.5
85.02827	6.3
87.00739	5.1
89.02318	17.9
95.01286	2.9
97.02824	11.0
99.00751	2.6
101.02328	17.5
107.04893	2.5
109.06474	35.9
110.03678	1.3
110.80338	1.1
111.04410	1.1
113.02320	8.9
119.03412	4.0
121.06510	2.2
125.02330	5.1
125.09566	1.4
135.08049	5.9
136.05168	1.9
141.01851	1.9
142.02573	3.5
143.03380	4.1
152.99477	1.9
161.04442	3.7
161.09619	2.0
163.11198	21.6
179.05511	6.2
179.10715	1.4
181.12204	4.5
189.09079	2.3
207.10194	100.0
208.10529	5.2
209.11725	3.8
221.06627	1.9
225.11261	51.0
226.11574	2.0
235.08284	5.5
243.12325	3.4
277.21713	58.9
278.21964	4.4
287.07645	2.5
305.08783	2.9
379.12704	5.9
397.13480	48.6
398.13785	2.4
415.14471	14.8
416.14627	1.7
441.33661	2.1
587.23383	2.0
605.24127	9.2
623.25623	11.0
865.45709	1.4
883.46930	67.5
884.47430	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	941.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01754	6.6
69.03320	3.0
71.01259	4.5
71.50814	0.9
74.74687	0.5
81.03310	2.0
83.01238	0.5
83.04887	1.5
85.02810	2.0
87.00748	11.9
89.02337	1.3
93.03332	66.4
94.03652	2.3
99.00756	1.4
99.04385	1.0
99.85830	0.5
101.02298	1.5
105.03306	1.2
108.02045	1.1
109.02832	1.5
109.41878	0.5
111.04404	10.0
113.02307	1.9
117.03363	0.8
121.02866	4.0
122.03637	4.8
123.00801	1.3
123.04410	1.0
129.01837	1.9
132.02029	0.8
133.02826	3.6
134.03644	8.8
135.04454	3.9
136.01558	6.8
137.02275	2.2
143.03349	0.5
145.02818	1.1
146.03568	1.0
147.04349	0.7
149.02341	14.0
149.05949	2.1
150.03127	35.8
151.00223	1.8
151.03928	11.8
155.03389	2.3
161.02370	1.7
161.05957	0.8
162.03177	3.9
163.03850	1.1
164.04686	3.8
165.01764	0.8
165.05473	31.2
166.02632	6.4
166.05775	0.9
167.03372	0.9
173.04471	29.5
173.55199	0.5
174.04774	1.0
175.03841	0.9
177.01828	0.8
177.05457	1.2
179.03371	1.0
179.05670	0.6
179.06969	2.6
180.04213	2.7
181.04982	6.1
187.03926	0.8
189.05511	0.7
190.06291	0.8
191.05545	8.5
193.04974	0.9
195.06535	12.0
205.04996	1.3
206.05682	0.9
231.10153	4.4
255.06567	0.7
275.09244	13.4
276.09601	0.9
299.09235	1.0
313.10764	1.5
329.10236	1.2
339.12387	0.6
342.10992	1.0
343.11874	6.5
348.71475	0.5
352.07834	0.9
357.09424	0.8
357.13477	1.8
357.54935	0.6
366.43710	0.6
369.13461	0.7
372.12131	1.7
373.12820	1.7
387.14456	9.6
391.13876	1.0
409.25473	0.5
448.13287	0.8
449.14487	100.0
450.14810	10.2
520.17413	0.9
535.19659	6.9
536.20416	0.7
541.06262	0.6
565.20728	1.0
583.21625	4.2
589.20837	1.0
601.81396	0.5
637.22845	0.7
655.23206	0.5
683.24762	4.8
684.25586	0.8
711.03400	0.6
713.26105	2.4
714.25830	0.5
731.27094	15.2
732.27057	2.7
743.26971	0.8
761.27777	3.6
762.28406	0.7
779.29016	8.3
780.29468	2.0
893.32782	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.3296
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01756	7.2
68.99686	9.1
69.03001	0.5
69.03323	26.8
69.48568	4.9
71.01254	47.5
72.25401	0.8
72.99180	3.4
73.02820	2.2
83.01257	2.0
85.02825	7.2
87.00761	3.7
89.02319	55.5
93.03339	2.4
95.01268	4.3
95.04903	27.1
96.05241	0.8
97.02835	1.7
98.20551	1.2
99.04394	2.8
101.02325	46.6
111.00762	17.0
112.01165	0.9
113.01532	1.0
113.02331	20.3
119.03393	22.8
119.04799	4.3
121.02845	100.0
121.06480	3.8
122.03167	2.5
123.04414	22.1
125.02396	0.9
127.03907	9.7
131.03395	3.4
133.02661	0.9
135.04454	1.8
137.05960	2.1
139.00267	16.0
139.03889	1.6
143.03416	8.0
147.04388	6.6
149.02373	5.6
149.04442	2.6
153.01714	0.7
153.05440	0.9
161.04457	10.3
163.03873	1.8
165.05481	18.4
166.33147	0.7
179.05566	52.2
179.07069	10.9
180.05894	1.7
181.04980	3.3
191.03436	3.5
191.05511	1.5
209.04454	3.7
213.07610	0.9
223.06079	44.4
224.06487	2.3
241.07158	2.0
303.11322	0.8
327.12192	0.8
333.08472	3.0
335.18964	0.8
335.85391	0.9
371.09836	52.5
372.10266	2.9
403.12439	54.3
404.12851	5.8
483.42322	0.8
890.25049	0.7
968.69604	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	940.446
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01756	16.4
69.03312	2.7
71.01241	4.6
71.50737	3.1
73.80264	2.0
78.95780	60.6
81.03325	4.5
82.47489	1.9
83.04919	3.6
85.02829	5.7
87.00766	16.9
93.03341	96.0
95.04908	3.1
96.95902	3.2
96.96844	3.4
97.02839	2.2
105.03343	5.5
109.02832	7.3
111.04395	13.7
122.97581	3.6
122.98423	42.0
129.01872	2.9
130.19653	1.8
132.02151	3.4
133.02858	45.7
134.03690	9.8
135.04413	57.0
137.02316	7.9
152.99489	60.3
155.03400	3.1
161.02356	11.0
168.04181	3.0
173.04474	23.8
177.01848	9.1
178.02573	5.4
179.03427	31.5
191.05542	46.3
215.05563	11.6
224.06958	2.7
242.07959	5.7
272.60083	2.3
300.04413	2.8
307.08215	2.6
307.18958	2.4
347.25916	18.2
349.27472	100.0
350.28070	5.1
351.07135	17.6
366.09818	4.4
367.10370	34.2
485.26416	2.5
503.27750	6.8
509.17548	2.1
509.29007	2.9
525.88098	2.3
572.33362	9.6
573.33832	2.6
574.35095	63.3
575.35571	5.5
701.35474	5.5
715.37170	4.8
734.36877	3.7
778.70868	2.7
881.37311	37.0
882.37122	7.3
940.44440	64.3
941.45325	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	940.4464
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01762	15.0
69.03333	2.8
71.01246	6.0
71.50734	1.7
78.95782	42.9
81.03339	2.8
83.04914	2.4
85.02834	4.6
87.00758	13.5
93.03336	94.2
95.04865	1.5
96.96829	3.2
99.00800	1.5
99.32761	1.3
103.11043	1.3
105.03344	6.8
107.04942	2.1
109.02840	4.7
111.04407	11.5
122.98431	12.0
127.03916	1.9
129.01785	1.5
133.02855	39.2
134.03719	7.1
135.04420	45.8
137.02342	4.5
152.99496	43.5
155.03360	1.5
161.02376	9.8
162.95511	1.5
168.04236	3.4
173.04466	21.2
177.01878	8.7
178.02638	2.5
179.03421	26.3
190.36827	1.2
191.05545	32.4
192.05803	1.6
215.05472	7.9
242.07979	4.2
306.07483	1.7
307.08215	1.5
314.84039	1.5
347.25912	15.7
348.26044	2.2
349.27484	100.0
350.27844	9.2
351.07236	13.9
352.07144	1.5
366.09671	2.0
367.10330	24.1
368.10449	1.5
485.26419	1.5
503.27863	3.0
509.29517	2.6
529.29211	1.9
572.33557	10.0
574.35120	72.9
575.35626	8.3
593.16919	1.7
701.35364	5.8
715.36987	4.5
734.36981	2.0
788.79163	1.7
881.37463	22.7
882.37946	6.3
940.44690	49.4
941.44189	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	935.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03820	0.6
67.01758	11.0
68.99671	0.3
69.03324	3.6
69.78880	0.3
71.01252	3.8
71.04908	0.3
71.51785	0.6
72.99185	0.4
73.02814	0.3
78.95778	0.6
79.95609	0.4
81.03336	2.0
83.04896	1.9
85.02811	1.9
87.00746	14.7
93.03333	83.3
94.03689	2.0
95.01218	0.4
96.95888	7.6
96.96839	0.7
97.02859	0.4
98.95470	2.0
98.96243	0.5
99.00772	1.6
99.04382	1.2
101.02319	0.6
108.02042	0.4
109.02819	1.0
111.04400	11.1
112.04756	0.4
113.02319	1.0
115.03889	0.9
115.92023	0.3
121.02788	0.3
124.01558	0.4
127.03848	0.5
128.99345	0.3
129.01830	2.2
133.02875	0.6
134.03627	8.2
135.04408	4.2
137.02322	1.2
143.03374	0.6
145.02846	0.4
150.03122	0.7
151.03848	1.0
153.75601	0.3
155.03416	3.3
160.01538	0.3
161.02353	1.6
162.03133	6.4
165.05463	0.4
166.02620	0.6
170.18623	0.4
173.04469	34.6
174.04765	1.1
177.01852	0.6
179.03389	1.3
181.05016	0.8
191.05534	11.9
192.05821	1.0
195.06546	0.5
209.11722	0.6
257.08087	0.4
275.09164	5.3
308.08957	1.4
351.07037	1.7
352.07813	1.8
437.12555	0.5
449.14499	100.0
450.14810	8.0
467.15222	0.4
494.03586	0.4
517.08545	0.5
607.25848	0.4
899.29321	0.4
935.32324	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.3238
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01759	14.2
68.02101	0.8
68.99680	0.8
69.03327	4.5
69.33073	4.7
71.01253	4.8
71.04899	0.7
73.02841	0.9
80.96439	0.9
81.03347	2.3
83.04913	1.8
85.02824	1.7
85.06458	2.7
87.00748	18.4
93.03333	100.0
94.03675	6.4
94.60917	0.6
95.01283	0.7
99.00764	2.0
99.04403	2.2
101.02325	2.1
109.02840	1.3
111.04400	11.2
112.04744	1.0
113.02325	1.6
115.03901	1.1
116.92752	3.2
117.92773	1.5
118.92584	0.8
121.02825	1.3
124.01511	0.7
129.01849	2.0
131.07039	9.2
133.02838	3.4
134.03654	6.0
135.04405	4.3
137.02321	1.5
143.03348	0.6
145.02795	0.6
149.02367	1.1
150.03156	3.0
151.03906	1.0
153.05525	0.9
155.03412	4.2
158.70618	0.6
161.02328	0.9
162.03136	1.2
165.05492	2.1
166.06184	0.7
173.04465	36.9
174.04782	3.2
175.04941	1.0
177.01833	1.2
178.02638	4.1
179.03241	1.7
191.05544	13.4
192.05945	0.6
195.06578	1.3
213.05377	0.6
231.10257	1.6
275.09207	3.2
285.04092	0.7
314.07736	0.7
329.10452	1.3
352.08011	1.1
353.08594	0.7
412.16779	0.6
420.85040	0.6
427.44089	0.5
429.14182	2.0
449.14505	76.9
450.14810	14.7
451.14954	4.8
481.17111	34.2
482.17542	13.8
483.17783	6.0
519.20569	0.7
543.20807	3.9
568.55316	0.6
616.27606	0.6
731.28723	1.3
753.30499	0.8
931.35815	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.3238
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01759	14.2
68.02101	0.8
68.99680	0.8
69.03327	4.5
69.33073	4.7
71.01253	4.8
71.04899	0.7
73.02841	0.9
80.96439	0.9
81.03347	2.3
83.04913	1.8
85.02824	1.7
85.06458	2.7
87.00748	18.4
93.03333	100.0
94.03675	6.4
94.60917	0.6
95.01283	0.7
99.00764	2.0
99.04403	2.2
101.02325	2.1
109.02840	1.3
111.04400	11.2
112.04744	1.0
113.02325	1.6
115.03901	1.1
116.92752	3.2
117.92773	1.5
118.92584	0.8
121.02825	1.3
124.01511	0.7
129.01849	2.0
131.07039	9.2
133.02838	3.4
134.03654	6.0
135.04405	4.3
137.02321	1.5
143.03348	0.6
145.02795	0.6
149.02367	1.1
150.03156	3.0
151.03906	1.0
153.05525	0.9
155.03412	4.2
158.70618	0.6
161.02328	0.9
162.03136	1.2
165.05492	2.1
166.06184	0.7
173.04465	36.9
174.04782	3.2
175.04941	1.0
177.01833	1.2
178.02638	4.1
179.03241	1.7
191.05544	13.4
192.05945	0.6
195.06578	1.3
213.05377	0.6
231.10257	1.6
275.09207	3.2
285.04092	0.7
314.07736	0.7
329.10452	1.3
352.08011	1.1
353.08594	0.7
412.16779	0.6
420.85040	0.6
427.44089	0.5
429.14182	2.0
449.14505	76.9
450.14810	14.7
451.14954	4.8
481.17111	34.2
482.17542	13.8
483.17783	6.0
519.20569	0.7
543.20807	3.9
568.55316	0.6
616.27606	0.6
731.28723	1.3
753.30499	0.8
931.35815	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	929.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
65.24565	0.5
67.01758	11.5
68.99689	1.3
69.03329	4.7
69.24574	1.0
69.24981	4.0
71.01252	6.1
73.02803	0.6
81.03313	1.8
83.04896	1.7
85.02843	3.2
87.00754	18.9
89.02332	0.9
93.03333	93.3
94.03696	2.4
95.04929	0.9
97.06473	0.6
98.20560	1.1
99.00740	1.6
99.04401	1.4
101.02308	3.2
109.02846	1.8
111.04407	14.3
112.32297	0.5
113.02331	1.5
115.03882	1.0
127.03896	2.7
128.30528	0.5
129.01816	2.0
133.02844	1.3
133.74716	0.5
134.03638	18.7
134.04652	1.3
135.04427	5.0
136.01569	0.5
137.02336	3.4
138.83694	0.5
143.03447	0.7
150.03134	0.9
153.01794	0.7
155.03413	3.9
161.02293	1.1
165.05473	1.1
173.04469	41.7
174.04874	1.4
177.01877	1.7
178.02676	4.7
179.03419	1.4
179.07002	0.5
191.05540	14.9
192.05798	0.7
231.10109	0.9
268.93735	0.6
275.09164	1.1
284.03375	3.8
285.03986	3.3
293.10287	9.7
299.05615	2.0
401.05740	0.5
447.09299	2.0
449.14529	12.6
450.14920	2.1
467.15558	100.0
468.15836	9.3
609.16614	0.8
938.85913	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	929.4016
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03838	0.4
67.01762	13.1
68.90742	0.3
68.99673	0.4
69.03326	3.6
71.01250	4.4
71.04883	0.3
71.50913	0.5
73.02827	0.8
73.17583	0.3
73.44637	0.2
81.03329	2.6
82.13564	0.3
83.01302	0.2
83.04882	1.9
85.02823	1.5
87.00748	18.5
93.03333	100.0
94.03666	2.2
95.01256	0.6
97.02789	0.4
99.00758	1.8
99.04386	1.4
99.92450	1.3
101.02325	0.9
105.03375	0.3
109.02853	1.2
111.00811	0.3
111.04404	13.5
113.02341	1.8
115.03877	0.7
116.92746	10.8
117.01846	0.4
117.92712	0.4
121.02862	0.9
121.46999	0.2
122.03610	0.8
123.04392	0.4
129.01820	2.4
133.02844	2.4
134.03633	7.0
135.04404	3.6
136.01532	0.4
137.02347	2.3
139.03914	0.6
143.03368	1.0
149.02362	1.1
150.03114	4.4
151.03841	0.8
153.01811	0.4
155.03404	3.2
155.10663	0.4
160.64679	0.2
161.02351	0.3
162.03111	0.9
163.03931	0.4
164.04657	0.5
165.05464	3.1
173.04466	37.3
174.04802	0.9
175.03970	0.3
177.01848	1.2
178.02632	6.6
179.03395	1.3
191.05540	6.8
191.07153	0.2
192.05875	0.4
195.06573	1.9
255.06688	0.3
265.05194	0.3
269.07889	0.3
275.09152	1.3
284.03336	0.5
285.04153	0.5
298.08435	0.7
299.09088	0.4
308.09192	0.5
311.09247	0.4
313.10843	0.7
314.11514	0.4
325.10687	0.3
329.13824	0.8
343.11859	1.3
351.07281	0.6
352.08109	0.5
373.13062	0.3
431.55511	0.3
447.09442	0.7
449.14499	61.5
450.14871	6.1
459.78455	0.2
477.19150	0.5
481.17123	73.7
482.17435	7.1
489.19061	0.5
499.19687	0.5
507.19952	0.5
519.20288	0.7
703.27692	0.3
731.29541	0.4
813.59497	0.3
840.46582	0.3
929.33636	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	929.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00191	0.6
67.01752	0.5
69.03333	0.4
71.01250	1.0
83.04903	0.5
85.02823	6.5
87.00745	1.8
89.41817	0.4
93.03332	5.1
95.01262	0.3
98.20592	0.5
99.04395	0.4
101.02321	0.4
106.05840	0.3
107.01271	1.3
109.02823	1.8
111.00744	0.3
111.04393	1.1
117.09332	0.3
121.02837	0.6
125.02332	1.3
127.03897	1.7
131.92030	0.4
133.02852	0.8
137.02353	2.7
149.02341	0.6
151.00291	3.6
153.01849	2.2
163.00237	0.6
165.01825	0.9
169.01410	0.6
170.98167	0.3
171.02881	0.6
173.04478	2.5
175.00374	0.8
175.03851	0.5
177.01837	0.6
178.99800	0.6
181.01306	0.5
183.02943	0.6
187.03969	0.9
187.07538	2.3
191.05537	100.0
192.05850	3.2
193.01408	0.7
193.05980	0.5
199.03897	0.4
201.05539	0.4
202.06282	2.0
203.07118	0.4
207.99982	0.8
209.00926	1.5
213.09186	1.1
215.07092	0.6
227.03485	0.5
231.10263	2.3
240.01445	0.4
247.09819	0.6
256.03735	0.6
257.08188	0.7
263.12982	0.4
275.09241	1.1
284.03253	12.7
285.04025	34.0
286.04474	2.5
289.10767	1.6
299.01898	0.4
301.03564	1.6
315.07410	0.5
317.03036	1.2
318.03442	0.6
319.04477	0.9
331.06799	1.4
371.06183	2.3
447.09302	29.5
448.09464	2.9
449.14551	18.7
450.15082	1.9
463.08746	0.9
479.08304	1.0
480.08524	0.8
481.09616	1.6
481.17105	12.6
482.17618	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	926.4961
Annotation	Unknow
Peak:m/z	Relative Intensity
69.67098	100.0
98.19805	31.0
104.29475	17.8
104.67380	15.4
144.30757	19.0
152.99527	21.6
191.05592	23.6
201.31728	15.5
209.11731	39.9
244.81477	18.2
315.08936	20.1
354.31290	16.6
698.87079	20.7
704.45496	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	927.3502
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03293	1.8
71.01251	81.8
71.39432	1.4
72.99181	5.1
73.02803	1.4
76.42055	0.8
83.01275	1.7
85.02825	13.5
87.00765	4.1
89.02314	100.0
89.97281	0.7
90.02651	1.1
95.01261	7.9
97.02849	0.9
101.02316	35.5
109.84753	0.7
111.04420	1.3
113.02328	31.4
119.03387	35.4
120.01097	1.7
121.02850	4.0
125.02305	1.1
131.03381	4.9
143.03404	11.5
143.04456	1.4
149.02367	4.4
149.04449	3.0
150.03043	1.1
155.03462	4.3
161.04482	12.0
163.03870	0.8
165.05511	1.3
166.06313	2.5
177.05498	1.1
179.05519	56.4
180.05884	1.3
181.08575	2.6
191.05516	3.2
207.06525	1.1
225.07594	2.0
276.86893	0.8
298.53574	0.7
314.11633	1.8
329.13779	2.8
359.14920	5.2
387.12979	1.8
454.17111	0.9
497.08032	0.8
531.26819	0.8
539.17511	1.8
658.51862	1.1
713.81366	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	929.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
65.94682	1.1
67.01761	27.7
68.99689	68.7
69.03328	27.2
70.00017	1.2
70.85301	2.9
71.01253	31.1
72.99177	4.0
74.28690	1.3
83.01243	2.1
85.02814	11.4
87.00744	7.2
89.02315	18.3
89.34814	1.4
91.10777	1.3
93.03334	27.2
94.03689	2.2
95.01273	2.6
95.04911	3.2
96.05637	1.3
96.95926	1.5
99.00691	2.0
99.04410	2.2
101.02322	100.0
102.02650	1.6
111.00762	1.4
111.04394	4.0
112.01567	2.2
113.02316	9.9
119.03388	10.8
119.04904	2.2
121.02828	6.1
123.04455	1.3
125.00563	2.1
127.03903	78.6
128.04257	1.3
134.03641	1.6
135.04369	3.6
146.72424	1.4
149.02341	5.9
150.03148	5.3
161.04489	1.5
165.05463	4.6
166.02495	2.1
173.04480	11.0
175.02008	1.3
177.00015	1.3
179.03409	1.8
179.05510	1.8
181.04929	6.6
190.00681	1.5
191.05515	24.4
192.05783	1.5
195.06552	2.4
203.01653	3.5
205.03120	2.3
209.02661	2.6
240.04248	1.8
255.06592	6.1
257.02829	2.0
265.05478	3.7
270.08981	5.1
271.09839	2.1
285.02249	7.3
285.05606	2.5
301.10760	4.0
317.04913	8.9
331.06165	3.0
345.04456	6.3
345.07996	1.5
377.06937	2.5
449.14691	10.2
467.15646	19.8
468.15656	2.0
481.17163	1.6
549.14349	2.9
551.20142	1.5
577.15631	3.2
583.57117	1.6
593.14044	2.5
607.14520	3.4
609.16418	32.8
610.16516	3.4
621.12622	4.4
625.15997	7.6
626.15833	1.5
653.15436	4.5
661.20398	1.4
679.21521	1.9
857.25098	13.8
858.25623	2.2
885.24994	38.7
886.25311	7.4
911.22546	2.3
929.23468	14.1
930.24780	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	926.4965
Annotation	Unknow
Peak:m/z	Relative Intensity
70.19435	21.0
70.98784	51.9
78.95759	35.0
84.38699	23.0
96.95900	28.3
118.82844	25.2
138.25394	24.5
173.69963	20.6
185.29311	22.5
191.05511	26.2
200.98123	22.4
209.11786	100.0
225.01147	29.4
241.14400	32.6
255.23190	69.8
335.44000	25.1
397.13467	32.1
704.44867	54.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	924.4803
Annotation	Unknow
Peak:m/z	Relative Intensity
65.64026	9.9
67.38273	8.6
71.01242	22.4
71.50616	13.0
74.10616	8.8
75.40063	10.7
78.95794	14.6
85.02838	10.3
89.02339	15.7
89.47797	8.7
97.02856	12.9
101.02332	19.6
101.93882	8.7
109.06463	13.9
113.02346	21.7
194.81078	11.0
196.33786	8.8
207.10202	20.7
208.10480	16.9
209.11775	100.0
210.12148	24.7
255.23270	76.0
256.23669	26.0
397.13504	37.4
398.13699	22.3
399.13904	11.7
864.49078	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	925.5684
Annotation	Unknow
Peak:m/z	Relative Intensity
64.84048	0.1
68.99670	0.4
69.03311	0.2
70.52052	0.2
71.01254	1.2
78.95763	0.2
79.26702	0.1
83.04883	0.2
89.02290	0.1
93.45967	0.1
95.01262	0.8
101.02314	1.0
101.86845	0.1
109.06451	0.1
113.02322	0.2
113.05930	0.1
116.92764	0.6
123.04405	1.1
127.07515	0.1
140.03249	0.1
143.95749	0.1
149.02361	0.1
155.03395	1.8
155.48624	0.1
171.10194	0.5
175.03998	0.1
191.05688	0.1
201.11328	0.1
225.07625	0.3
228.25023	0.1
233.22676	0.4
259.20587	0.6
273.22198	0.2
275.20087	0.4
277.21701	100.0
278.22049	6.9
283.26379	0.5
291.23288	1.3
301.21707	0.2
319.22650	0.3
397.13367	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	924.48
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01254	28.8
72.97704	12.4
89.02318	17.4
101.02273	16.5
116.92734	19.4
171.10129	17.1
207.10161	20.2
249.18530	28.6
277.21686	100.0
293.21085	36.8
397.13455	47.5
398.14001	21.2
662.80396	15.5
864.48901	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	923.3766
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01763	6.0
68.99686	9.7
69.03323	23.9
70.82315	0.4
71.01250	43.0
72.99177	2.4
73.02817	0.9
78.88326	0.5
83.01254	1.7
85.02822	7.2
87.00751	3.0
89.02313	54.5
90.02646	0.8
93.03326	1.9
95.01244	3.7
95.04899	27.9
99.00742	0.9
99.04414	2.3
101.02319	41.5
102.02677	0.7
107.03390	0.6
108.02074	0.7
110.99986	0.6
111.00762	16.3
113.02325	18.2
114.02665	0.6
119.03391	22.2
119.04786	3.2
120.03712	0.5
121.02839	100.0
121.06468	2.9
122.03137	2.3
123.04401	21.2
125.02329	0.6
127.03906	8.6
130.73746	0.5
131.03383	3.8
133.02821	0.4
135.04416	0.9
137.05981	2.4
139.00273	15.7
139.03917	1.8
143.03400	6.2
147.04402	5.5
149.02364	4.7
149.04399	2.2
153.01843	0.5
153.09052	0.5
161.04457	8.4
161.05807	0.9
163.03896	1.2
165.05476	18.2
166.05856	0.6
177.66805	0.5
179.05554	55.0
179.07056	10.6
180.05884	1.7
181.04930	4.5
191.03419	4.6
191.05380	1.1
209.04494	2.4
223.06067	45.0
224.06467	1.9
225.15079	0.6
241.07140	1.8
246.29559	0.4
246.96523	0.5
276.00076	0.5
301.09122	0.6
333.08289	3.2
356.50378	0.5
371.09796	51.9
372.10089	3.3
403.12427	72.5
404.12762	5.7
519.24023	2.5
628.25336	0.5
771.54309	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.225
Annotation	Unknow
Peak:m/z	Relative Intensity
64.28239	0.1
65.00193	0.2
69.45221	0.9
83.01268	0.2
103.82552	0.1
107.01247	0.5
111.05425	0.1
129.26366	0.1
133.02823	0.2
134.03589	0.4
149.99390	0.1
151.00259	0.8
183.04459	0.2
184.05180	0.1
187.03807	0.2
191.05566	0.2
211.03938	0.4
212.04698	0.2
227.03387	0.5
239.03322	0.2
246.18988	0.1
255.02946	4.5
256.03671	2.1
257.04153	0.1
268.03665	0.2
269.04636	0.6
283.02493	2.6
283.05661	0.2
284.03244	78.7
285.01083	0.1
285.03574	5.0
297.04047	2.4
298.04791	2.2
299.05588	100.0
300.05914	6.7
313.07086	0.2
326.04337	0.2
341.06577	1.1
446.08676	0.4
461.10898	5.8
462.11310	0.5
594.73846	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.4492
Annotation	Unknow
Peak:m/z	Relative Intensity
64.88431	23.7
67.69650	27.5
71.01242	36.2
71.50584	29.1
76.56305	27.2
78.95771	63.9
82.68350	26.2
93.03370	35.7
94.78760	31.5
101.30439	23.7
103.86908	24.6
114.93278	26.9
133.02802	42.6
134.03687	30.3
135.04387	77.3
144.08035	27.2
152.99442	64.0
159.54066	30.4
173.04492	39.0
179.03226	35.8
191.05519	100.0
209.11848	68.7
286.76910	31.4
612.93829	30.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.5059
Annotation	Unknow
Peak:m/z	Relative Intensity
68.87092	1.0
69.03328	2.2
71.01254	26.7
71.51104	1.4
72.99166	2.3
73.02810	3.4
81.03339	2.9
83.01235	2.7
83.04890	2.9
85.02840	8.0
87.00756	6.0
89.02318	17.4
93.03360	1.1
95.01245	2.0
97.02840	14.2
99.00759	3.4
101.01692	2.3
101.02325	22.0
109.06479	28.9
110.03615	1.7
111.04407	1.4
111.78111	1.1
113.02354	10.6
117.03329	4.7
119.03395	4.5
119.04893	5.7
121.06506	1.8
125.02327	7.6
135.08080	2.3
136.05168	2.1
139.03899	1.2
142.02641	3.1
143.03381	3.7
145.02885	13.8
146.03152	3.1
146.05319	1.2
161.04434	5.1
161.09650	2.2
163.03932	3.1
163.11200	17.3
179.05508	5.1
179.10768	1.4
181.12221	4.1
189.09250	1.9
207.10213	100.0
208.10503	4.6
209.11827	2.7
221.06583	1.8
225.11284	37.2
226.11769	1.2
235.08272	7.4
243.12323	2.0
255.23274	85.6
256.23572	5.5
285.20645	1.4
287.07727	1.8
299.14764	1.4
299.17773	1.2
305.08664	2.5
379.12506	12.3
397.13495	66.4
398.13763	3.8
415.14575	13.8
419.35159	1.6
450.85718	1.2
461.19992	1.7
584.61719	1.3
587.23572	2.3
605.24402	6.7
623.25818	3.0
653.37805	5.4
654.38318	1.4
775.48413	1.5
843.47626	3.4
861.48541	83.0
862.48749	16.2
886.07355	1.6
921.53424	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	919.5202
Annotation	Unknow
Peak:m/z	Relative Intensity
71.50419	0.7
78.95782	0.7
92.01976	0.5
98.65762	0.5
117.03349	26.1
119.04916	27.7
120.05280	1.1
121.02831	2.7
123.04407	0.7
133.02870	0.8
136.33951	0.5
144.18513	0.5
145.02853	100.0
146.03204	3.2
152.99513	0.8
162.03133	0.7
163.03923	17.6
164.04140	0.6
181.19035	0.5
219.06598	1.3
267.19675	2.2
285.20728	6.3
413.23346	10.2
414.23566	1.6
431.24390	3.5
487.26880	2.9
505.28003	3.1
506.28442	0.6
552.25995	0.6
552.66119	0.5
755.47180	0.8
773.48218	8.9
774.48877	1.7
919.52087	38.9
920.52374	10.4
948.30847	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.4908
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01254	100.0
71.50359	2.7
73.02845	3.8
78.95779	5.7
85.02829	9.0
87.00751	6.9
89.02315	19.7
93.03346	3.5
96.95881	2.9
97.02855	4.8
99.00741	2.8
101.02343	15.7
104.78271	2.6
109.06449	5.8
113.02326	11.3
119.03410	6.3
125.02321	7.1
141.01860	2.4
143.03394	3.2
154.84082	2.2
163.11201	6.4
171.10185	67.3
179.05527	4.2
181.08630	3.1
181.78958	2.7
191.05565	6.4
199.09633	15.8
199.13391	4.4
201.11290	20.1
202.92500	2.5
207.10187	27.4
209.11697	4.7
225.11288	19.9
235.08231	5.4
240.21373	2.7
243.12253	2.6
252.20422	2.9
262.39911	2.9
274.98810	2.9
277.18665	2.8
277.21719	57.3
278.22195	4.7
287.07590	3.0
379.12347	8.6
397.13510	33.5
398.14105	2.9
415.14514	15.1
480.93222	2.6
623.25677	6.7
883.46759	12.0
884.47369	4.3
901.48083	4.5
919.49359	21.8
920.49896	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	919.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03821	1.1
67.01405	1.1
67.01756	15.3
69.03314	4.4
69.25474	4.3
71.01247	5.3
73.02815	0.9
73.06880	0.5
73.99843	0.6
81.03335	3.8
83.04901	2.9
85.02827	4.4
87.00746	17.7
93.03331	100.0
94.03650	2.9
95.04893	1.2
97.02864	0.7
99.00747	2.2
99.04385	1.3
101.02265	0.9
105.03339	3.8
107.04897	2.2
108.02039	0.6
109.02834	8.6
111.00769	0.6
111.04388	11.0
113.02316	0.7
114.93758	0.5
115.03909	0.8
121.02816	1.9
122.03603	2.4
123.04385	3.5
125.02323	0.6
127.03884	1.6
129.01830	1.9
132.02089	0.7
133.02843	32.4
134.03700	3.0
135.04411	17.2
136.04683	0.7
137.02356	3.3
149.02335	1.8
150.03122	15.1
151.03918	6.0
153.01854	0.7
155.03398	4.1
156.10214	0.6
161.02327	2.2
165.05464	12.1
171.02744	0.6
173.04474	27.1
177.01842	9.8
177.05386	1.1
177.38097	0.6
178.02634	4.8
179.03389	6.4
180.03819	0.7
191.05528	37.1
192.05791	1.2
213.39586	0.5
215.05551	17.3
221.04550	0.9
284.02975	0.7
307.08188	2.6
351.07190	32.3
352.07477	2.3
391.75757	0.6
449.14630	1.4
450.14902	0.9
467.15762	1.1
518.05060	0.5
561.19543	1.4
705.24146	3.0
919.32288	54.0
920.32819	12.0
931.50677	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00180	0.4
66.51273	0.2
67.01732	0.8
68.99698	0.4
69.03302	0.5
71.01244	3.8
72.99162	0.4
73.02789	0.4
81.03305	0.3
82.10092	0.3
83.01244	0.5
84.66966	0.3
85.02784	1.0
87.00739	1.2
89.02312	3.2
93.02781	0.3
93.03333	3.9
95.04888	0.4
97.02807	0.6
99.00710	1.0
101.02341	1.4
107.01257	0.6
111.00713	1.2
111.04369	0.6
113.02299	0.7
115.03893	0.3
119.03342	0.4
125.02338	2.4
127.03844	0.6
131.03369	0.6
133.02823	1.1
134.03569	0.8
135.04373	1.0
136.01556	0.3
139.03928	0.3
148.05203	1.2
149.02333	0.4
149.04398	0.9
150.03096	0.7
151.00253	0.9
151.03883	0.3
155.03339	0.3
161.02272	0.3
163.07491	0.4
165.05460	0.8
173.04500	1.5
173.05780	0.3
177.01854	0.3
179.03329	0.7
185.48137	0.3
191.05533	7.1
200.04831	0.3
211.03915	0.4
227.03453	0.5
228.03932	0.3
233.06621	2.1
255.02989	3.2
256.03696	2.5
269.04547	0.4
283.02573	1.4
283.05499	0.3
284.03244	72.0
285.03589	5.9
293.05673	0.5
293.08768	7.0
297.04013	1.4
298.04736	0.8
299.05591	100.0
300.02518	0.5
300.05911	8.5
338.98663	0.3
341.06689	1.0
342.90356	0.3
351.07126	0.4
461.11053	1.7
872.95001	0.3
911.71509	0.3
919.32593	2.0
920.33002	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.475
Annotation	Unknow
Peak:m/z	Relative Intensity
68.33964	0.5
69.03333	1.6
71.01249	18.1
71.50755	1.0
72.01598	0.7
72.99179	1.9
73.02807	3.0
78.95789	0.7
80.02547	1.0
81.03320	2.7
83.01272	1.8
83.04896	7.0
84.02036	1.1
85.02823	4.6
87.00749	4.6
89.02317	12.4
93.03335	1.7
95.01261	1.6
95.04899	0.7
96.35808	0.7
96.95890	2.4
97.02828	5.0
97.06451	0.7
97.66398	0.5
99.00784	0.8
101.02319	12.8
109.06463	0.7
111.00771	0.6
111.04383	0.6
111.08035	6.3
113.02322	5.8
115.05672	0.5
116.49564	0.5
119.03400	3.5
125.02326	3.7
125.05965	0.8
125.09647	0.6
127.03968	0.5
129.17116	0.5
135.04367	1.3
135.08038	1.3
137.02324	0.9
137.09621	1.0
139.03896	0.6
141.01817	0.8
143.03404	2.2
153.12762	0.7
161.02385	0.6
161.04469	2.7
163.11185	5.4
165.12761	4.0
169.12247	2.2
171.10162	3.1
173.04509	0.8
179.03314	0.8
179.04207	0.5
179.05531	4.3
181.12225	1.8
183.13802	0.7
191.05550	5.3
191.10666	1.5
193.12268	0.8
197.11758	29.9
198.12131	1.0
199.13338	1.8
207.10118	0.8
209.11765	100.0
210.12102	5.1
211.13335	5.7
217.07050	0.8
221.06595	1.0
223.13243	0.6
225.11331	1.4
225.15022	0.6
227.12845	14.8
228.12950	0.6
235.08192	5.3
247.20596	1.1
251.12653	0.5
253.09273	1.7
257.85242	0.5
263.20123	1.5
265.18127	0.7
270.74805	0.6
287.07556	1.0
291.16382	1.0
291.19669	20.0
292.19858	1.5
293.21231	2.2
294.21155	0.6
305.08807	2.1
309.20694	75.3
310.21030	4.3
323.09863	1.2
333.20905	0.9
371.15170	0.7
379.12268	3.4
397.13474	35.9
398.13586	2.7
415.14560	13.4
607.26013	1.9
644.50397	0.6
689.34155	1.1
707.35193	1.9
899.45972	0.6
917.45941	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01761	19.8
68.99685	24.7
69.03323	8.4
71.01255	11.2
71.61319	1.4
72.99171	2.0
81.03349	2.7
83.04881	7.6
85.02813	5.4
89.02307	6.1
89.23301	1.4
93.03330	10.4
94.02859	11.5
95.01236	5.5
96.95880	1.7
99.00761	2.1
101.02315	27.7
103.88911	1.3
108.04435	18.0
109.02874	2.8
109.03942	4.4
111.04359	6.3
112.01547	2.2
113.02280	4.2
116.01643	1.4
119.03391	1.9
121.02811	5.1
122.02364	28.1
124.03893	1.6
127.03904	30.9
134.02370	3.4
134.06021	1.7
135.04436	2.7
136.03934	57.1
136.07625	2.1
139.02126	2.2
148.03935	3.3
148.07585	1.9
149.02342	6.5
149.07050	1.8
151.03857	1.7
152.03481	3.9
153.02943	14.5
154.04977	3.6
155.03409	10.4
160.00670	2.3
161.07056	1.7
162.01921	2.4
162.05489	4.6
168.06586	8.5
171.01135	10.4
173.04411	5.2
177.06624	8.2
179.03404	2.8
180.02928	7.9
188.07024	2.1
190.03754	4.6
191.04013	1.9
191.05553	25.2
193.06068	2.1
194.04617	1.7
203.04645	2.5
205.06113	33.9
205.09775	2.4
205.42828	1.5
213.67140	1.3
217.72989	1.4
219.07715	2.9
249.05090	6.9
263.06628	2.3
269.04559	7.5
281.07715	1.7
286.70435	1.4
299.05768	1.9
513.17249	4.9
557.14325	2.2
577.15558	5.7
609.17352	2.9
653.16632	17.2
685.19049	17.3
686.19769	2.3
723.20386	2.2
917.28748	100.0
918.28900	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	917.3451
Annotation	Unknow
Peak:m/z	Relative Intensity
65.68443	0.4
67.01756	4.2
68.99669	0.5
69.03331	1.8
70.52897	1.0
70.53233	0.3
71.01254	3.4
73.02846	0.4
76.30940	0.4
81.03326	0.8
83.04884	0.8
85.02819	3.9
87.00752	7.0
91.05411	0.4
93.03334	38.5
94.03664	0.8
95.01286	0.5
96.95921	0.5
99.00804	0.9
99.04424	0.6
101.02338	0.5
105.03328	0.5
107.04956	0.5
108.02053	2.7
109.02843	2.0
111.00710	0.5
111.04403	4.8
113.02335	0.6
121.02833	2.9
122.03632	1.8
124.01559	7.5
125.02355	4.3
126.03152	2.4
127.03899	1.0
129.01846	1.3
132.02055	0.7
133.02852	3.6
134.03639	13.4
135.04414	100.0
136.04691	2.7
137.02327	2.6
139.03938	0.6
141.01752	0.3
146.05759	0.4
149.02296	0.5
149.06017	0.5
150.03127	6.1
151.03908	15.4
152.04282	0.6
153.01839	0.4
154.02623	0.5
155.03448	0.9
160.01595	1.4
161.02348	3.6
161.05965	0.5
162.03154	1.0
163.03918	0.7
167.03485	0.7
173.04471	11.3
174.04819	0.5
175.04001	0.5
177.01851	1.5
177.05438	0.4
178.02637	1.5
179.03416	26.3
180.04077	1.5
181.05014	1.0
187.07549	0.4
189.05490	0.5
191.05537	35.3
192.05908	1.7
194.02129	1.0
215.05589	0.7
231.10306	0.5
257.08182	5.9
275.09164	2.9
290.07962	2.2
294.05206	0.3
306.07504	1.5
307.08234	12.1
308.09003	25.0
309.09271	0.9
323.07816	1.8
351.07150	2.8
352.07980	58.1
353.08374	4.1
449.14514	46.7
450.14859	3.9
860.63831	0.4
899.29761	1.2
917.30133	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
66.58314	1.2
67.01760	25.0
68.99686	44.2
69.03327	9.1
69.33927	5.9
69.34356	5.7
71.01251	19.8
72.99181	2.2
73.02827	2.0
81.03329	2.6
83.04904	9.2
85.02824	6.5
87.00757	5.4
89.02319	9.6
92.01346	1.5
92.04946	1.4
93.03333	22.4
94.02860	12.6
95.01257	6.3
96.95897	2.0
97.02847	2.2
98.20555	2.2
99.00750	5.1
101.02322	62.6
103.97054	1.2
108.02023	1.8
108.04428	19.0
109.02812	3.6
109.03988	2.9
111.04407	6.9
113.02310	7.3
118.02850	1.8
119.03387	4.5
120.04443	2.3
121.02837	4.9
122.02361	28.1
122.05988	1.6
123.04401	1.5
127.03903	45.7
128.03400	2.2
133.02789	1.7
134.02377	4.7
134.03639	3.2
134.05962	1.4
135.04420	3.2
136.03935	72.5
139.02180	1.5
144.29749	1.2
146.05968	1.5
147.04407	2.0
148.03845	3.3
148.07622	1.3
149.02332	3.6
149.07076	1.8
151.03926	1.7
152.03395	3.9
153.01866	2.1
153.02960	13.0
154.04996	5.2
155.03403	17.5
159.05585	1.9
160.00642	2.1
160.03917	1.4
162.01909	1.4
162.03078	1.6
162.04276	1.6
162.05481	3.9
165.05502	1.8
168.06592	11.5
171.01173	12.7
173.04471	11.2
175.05051	2.2
177.06616	3.6
179.03584	1.4
180.02904	8.0
180.06558	1.5
181.05008	3.3
181.87651	1.4
187.05031	1.5
188.07140	2.8
190.03738	3.7
191.05574	23.5
192.05899	2.4
201.06656	1.6
203.04608	2.8
205.06123	22.8
206.04477	1.6
207.06583	2.3
219.07629	2.2
229.06201	1.9
237.08757	1.5
241.06087	2.0
249.05104	4.2
263.06717	1.9
273.89633	1.6
275.09219	3.1
299.10349	1.9
311.06696	2.1
331.09406	1.4
449.14478	14.1
450.15588	1.5
467.15546	11.2
511.14908	1.8
513.17328	1.9
609.17505	4.7
619.17859	3.5
639.21344	1.3
651.20032	3.6
653.16614	10.5
685.18890	14.6
686.20123	1.8
724.25092	1.9
725.23083	2.9
883.30109	2.6
917.28632	100.0
918.29004	14.7
920.32904	1.8
946.39929	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	915.3865
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03828	0.7
67.01757	13.4
69.03338	3.4
69.96973	0.4
71.01245	4.8
71.04901	0.4
71.50925	0.6
79.13038	0.4
81.03320	2.2
81.59822	0.4
83.04896	2.0
85.02821	6.3
87.00745	18.8
88.98705	0.6
93.03331	100.0
94.03667	2.8
94.51726	0.4
95.01225	0.5
99.00753	2.4
99.04371	2.2
101.02332	0.9
105.84019	0.5
106.55395	0.5
109.02827	1.6
111.04401	14.5
113.02316	1.7
115.03902	0.6
119.04976	0.5
127.03876	1.7
129.01830	2.0
133.02846	2.0
134.03632	8.5
135.04431	6.0
137.02350	1.6
139.78061	0.5
143.03394	1.0
150.03146	0.8
151.03906	0.8
155.03398	3.7
161.02354	1.4
162.02982	0.6
165.05540	0.5
171.02892	0.7
173.04462	40.7
174.03223	1.0
174.04791	1.4
177.01886	1.5
178.02632	4.3
179.03464	3.0
191.05537	45.1
192.05836	2.3
200.04741	0.7
258.42511	0.6
267.06622	0.7
275.09314	1.2
284.03256	0.6
285.04205	1.1
293.10336	1.7
294.05222	0.6
307.13303	0.6
315.16174	0.6
325.14450	1.3
341.13812	1.0
343.15372	1.2
351.07285	0.8
351.12289	1.2
353.08624	0.8
369.13379	6.2
370.13733	0.9
387.14569	0.6
447.09409	0.7
449.09595	0.7
449.14490	39.1
450.14645	4.7
467.15543	88.2
468.15915	10.6
543.18646	0.8
561.19885	1.7
705.21802	1.3
723.22955	3.5
724.23486	0.9
897.28162	0.9
915.29089	4.3
916.29773	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.3501
Annotation	Unknow
Peak:m/z	Relative Intensity
65.35965	0.4
68.99690	0.6
69.03333	1.1
71.01249	11.1
72.99201	0.6
73.02820	3.4
75.00738	0.5
81.03362	0.5
83.01255	0.9
83.04907	0.5
85.02823	7.0
87.00744	2.0
87.04389	6.7
89.02327	1.3
93.03323	2.6
95.01269	1.3
95.04906	0.9
97.02833	3.4
98.20592	0.7
99.00752	1.9
99.04412	0.8
101.02312	6.6
109.02811	0.7
109.06522	0.6
111.04405	0.8
111.23272	0.4
113.02332	6.9
121.02870	2.7
122.03629	9.4
123.04416	0.6
125.02342	4.1
125.05966	0.6
127.03931	0.7
133.02809	1.1
135.04436	0.7
135.08040	1.3
136.01564	0.8
137.02330	0.6
137.08574	0.7
137.09607	10.2
139.03897	0.5
139.07539	1.2
139.11221	0.8
141.09053	0.6
143.03407	0.9
149.02339	4.1
150.03127	65.0
151.03627	2.9
151.11151	1.1
152.48117	0.5
153.01823	0.7
155.10680	51.3
156.11035	1.1
159.02800	0.6
160.52353	0.4
161.04477	7.0
163.07545	0.5
165.05478	100.0
166.05795	4.4
167.03398	1.0
167.10690	1.0
169.12236	2.8
177.09062	0.6
179.10660	2.5
180.04103	0.8
181.08609	4.7
190.05086	0.4
191.05521	5.5
191.10649	1.5
192.05855	0.7
193.12257	0.8
195.06540	1.1
195.10213	2.3
197.11734	0.4
199.09689	34.5
200.10019	1.3
213.07610	10.0
213.11061	3.1
214.08072	0.5
223.09605	0.7
227.12747	0.7
241.10770	13.1
253.10803	3.2
255.12347	1.5
265.10620	0.5
280.21262	0.5
283.11853	9.2
284.12024	0.8
325.12930	4.7
336.88837	0.4
343.13968	29.2
344.14172	1.6
367.14090	1.1
385.15051	5.8
386.15384	0.6
409.14899	0.9
418.50275	0.5
427.16077	1.4
439.15927	1.1
449.14484	0.9
451.14902	0.5
477.85965	0.6
487.18182	8.7
488.18399	0.9
539.21277	3.8
540.68365	0.5
557.22351	32.1
558.22949	3.7
599.23651	2.2
629.12854	0.5
653.23926	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03823	0.3
67.01406	0.6
67.01762	11.7
68.99692	0.3
69.03329	3.2
69.33391	0.3
70.90015	0.7
71.01253	4.5
71.04913	0.3
73.02810	0.5
81.03333	2.1
83.04912	2.5
85.02831	1.9
87.00751	15.0
89.03835	0.3
93.03335	82.4
94.03676	1.9
95.04906	0.6
97.02831	0.4
97.06481	0.6
99.00787	1.7
99.04385	1.5
101.02329	0.9
105.03318	1.8
108.02043	0.4
109.02842	1.3
111.00782	0.4
111.03627	0.7
111.04396	11.4
113.02338	1.4
115.03896	0.6
117.03348	1.1
119.04905	0.3
121.02843	1.1
123.04384	1.0
124.07549	0.5
127.03899	0.7
129.01842	1.8
133.02856	5.9
134.03630	11.9
135.04433	3.8
137.02338	1.4
143.03389	0.8
146.03639	0.4
149.02309	0.5
150.03165	1.7
155.03389	3.8
155.10643	0.4
159.04449	0.4
160.01608	0.4
161.02382	0.9
162.03142	4.4
163.03786	0.5
164.04585	0.4
165.05493	1.9
166.02592	0.4
173.04469	34.6
174.04796	1.1
174.06847	0.5
177.01860	0.6
178.02600	0.7
179.03348	0.4
181.05026	0.3
187.07591	1.1
191.05542	11.6
192.05824	0.7
195.06532	1.0
199.09593	0.4
203.10658	0.6
231.10225	12.2
232.10628	1.0
257.08157	1.4
269.20352	0.3
275.09247	35.8
276.09586	2.4
284.03265	1.5
285.03967	1.4
286.04181	0.5
287.14014	2.4
299.05688	0.8
366.05066	0.3
447.09515	0.8
448.09668	1.0
449.14514	100.0
450.14832	9.1
488.20844	0.3
617.51398	0.3
639.24158	0.3
688.26520	0.4
689.27393	0.5
711.30353	0.3
865.22656	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	906.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02255	0.5
65.00208	0.5
83.01256	0.5
89.02325	0.2
90.12395	0.1
91.82362	0.1
99.86252	0.1
104.78941	0.1
105.03346	0.1
107.01264	1.2
109.02844	0.3
112.30207	0.1
121.02817	0.3
122.02341	0.2
125.02310	0.1
132.02098	0.1
133.02827	2.4
134.03656	0.5
135.04414	0.1
148.01581	0.2
149.02356	0.9
149.99524	0.2
151.00276	2.9
167.59131	0.1
169.01382	0.3
171.04317	0.2
175.03906	1.1
177.01823	0.2
183.04492	0.3
185.06023	0.3
187.03860	0.2
191.05597	0.5
197.06085	0.2
198.03090	0.3
199.03914	1.3
200.04494	0.3
201.01859	0.3
211.03925	0.6
212.04732	0.3
213.05536	0.3
215.03419	0.2
217.04974	0.7
226.02023	0.1
227.03500	0.7
228.04178	0.2
229.05046	0.2
229.52713	0.1
234.06001	0.2
239.03445	0.3
240.04210	0.1
241.05002	0.5
243.02991	0.5
255.02890	0.5
256.03714	2.2
257.04349	0.4
267.02960	0.2
269.04572	0.2
283.02530	0.6
284.03250	42.1
285.04007	90.1
286.04379	6.9
297.03976	0.4
299.05618	0.2
327.05038	1.0
328.05469	0.2
357.06146	0.1
447.09280	100.0
448.09622	10.3
458.11490	0.7
459.11954	0.3
460.11371	0.4
678.79095	0.1
751.58136	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00195	2.4
69.35963	3.2
69.84648	0.3
79.07732	0.3
83.01266	0.6
93.03336	1.0
98.19794	0.4
101.41653	0.3
107.01283	2.2
109.02797	0.5
111.00755	0.4
116.19664	0.3
121.02854	1.0
122.49502	0.3
124.01508	0.4
125.02330	1.5
133.02859	1.9
134.03603	0.5
135.04395	0.5
136.98727	1.8
137.02283	1.2
139.00281	0.5
147.00864	0.4
148.01526	0.5
149.02362	4.9
150.03033	0.5
151.00261	5.9
153.60742	0.3
163.00293	0.4
165.01842	1.0
165.05530	0.4
166.99747	0.4
174.03149	0.6
175.00359	0.6
175.03900	0.7
177.01826	0.6
187.03906	0.6
188.04732	0.6
189.05438	0.7
191.03546	0.7
191.05536	2.5
192.00552	0.4
192.05789	0.4
199.03918	1.3
200.04608	0.7
201.01888	1.2
201.05571	0.4
202.02583	0.4
203.03523	0.5
211.03969	0.6
213.05560	0.4
214.02612	0.6
215.03403	1.0
216.04114	0.8
217.05096	0.5
225.44313	0.4
226.02760	0.4
227.03500	2.0
228.04224	0.6
229.01323	0.4
229.05040	0.7
231.02885	0.4
233.04475	1.0
239.03392	0.8
241.05003	0.4
242.01985	0.4
243.02911	1.1
250.80371	0.4
255.02968	1.5
256.03702	1.5
257.04501	1.3
259.02380	0.4
271.02484	3.8
272.02911	2.8
283.02515	1.5
284.03271	16.0
285.04028	33.2
286.04230	2.5
299.01993	4.2
300.02713	22.1
301.03510	56.9
302.03824	3.2
310.73993	0.3
327.05200	0.5
343.04315	0.6
419.10007	0.6
433.07770	0.4
447.09293	39.5
448.09665	4.6
449.09839	0.8
461.07104	1.4
462.07892	7.1
463.08780	100.0
464.09052	8.8
465.09473	0.4
549.96753	0.3
681.85742	0.4
694.60291	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.4805
Annotation	Unknow
Peak:m/z	Relative Intensity
65.98101	0.4
69.03333	0.8
71.01253	15.6
71.50244	0.5
72.99183	1.7
73.02820	2.3
78.95803	0.8
80.02548	1.1
81.03339	2.0
83.01265	2.0
83.04902	5.8
84.02038	0.9
84.46768	0.4
85.02824	4.5
87.00755	3.2
89.02320	11.1
91.38254	0.5
93.03328	1.1
95.01263	1.4
95.04898	1.6
96.95878	0.7
97.02833	2.5
97.74272	0.5
99.00771	1.0
99.04429	0.5
101.02322	10.7
109.06532	0.5
113.02322	5.9
119.03406	2.6
120.14240	0.4
125.02334	6.0
125.06001	0.8
131.03435	0.4
133.04977	0.7
135.04414	0.6
135.08064	0.7
139.30055	0.4
143.03430	2.3
149.34618	0.5
151.00304	0.5
161.04466	2.7
163.11191	4.9
165.12810	2.6
167.10632	0.5
173.04428	0.6
179.05540	3.2
181.12273	0.8
183.13979	1.2
191.05542	2.6
191.10654	1.2
195.13853	5.0
196.14447	0.6
197.11806	0.5
205.12161	0.5
209.11766	100.0
210.12112	5.5
211.13358	1.3
217.07309	0.6
221.06606	1.2
223.13385	4.1
223.17331	0.4
225.11308	0.9
227.12851	11.6
228.13562	0.6
228.49559	0.4
235.08188	4.2
235.17122	0.6
253.09254	0.7
256.13126	0.7
275.20081	5.4
284.03058	0.6
287.07611	1.4
293.21213	95.2
294.21503	6.9
305.08789	1.8
323.09619	1.4
379.12476	3.7
397.13483	38.6
398.13693	2.5
415.14578	12.2
416.15140	0.8
491.28018	0.4
493.00922	0.4
566.10254	0.5
607.26080	2.8
691.35449	1.2
901.47052	1.2
918.98242	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.4647
Annotation	Unknow
Peak:m/z	Relative Intensity
62.86821	0.8
69.03313	4.3
71.01254	16.5
71.04876	1.7
71.30399	1.2
71.30748	0.9
72.99171	2.5
73.02806	2.7
78.95762	2.1
83.01244	1.8
85.02822	4.5
87.00741	3.2
89.02310	10.6
95.01264	1.3
96.95866	1.0
97.02842	1.5
97.06419	0.9
99.00755	1.1
101.02327	10.1
113.02329	4.4
119.03349	1.0
123.08043	1.0
125.02361	1.9
125.09605	2.2
151.11165	2.0
152.99503	1.0
153.12752	1.6
156.03886	0.7
161.04417	1.3
161.09618	2.0
179.10669	5.2
191.05511	2.4
197.11757	57.5
197.78903	0.9
198.12057	2.1
221.06628	2.5
223.09648	1.6
241.10782	3.6
277.21698	17.8
278.21915	1.3
279.23108	0.8
295.22629	1.3
383.50018	0.9
397.13507	3.0
415.14325	0.9
755.28973	0.9
881.44598	1.3
899.46417	100.0
900.46863	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	899.4647
Annotation	Unknow
Peak:m/z	Relative Intensity
70.83037	4.9
71.01255	24.7
73.02822	2.5
77.17738	1.6
78.95758	2.2
81.03352	3.7
83.01231	2.2
83.98985	1.6
85.02815	6.0
87.00726	4.8
89.02321	14.9
93.03354	1.9
95.01236	2.5
95.20591	2.0
97.02840	10.8
99.00761	3.2
99.85600	1.9
101.02328	15.4
107.04929	2.2
109.06470	27.6
113.02312	5.8
119.03374	6.0
121.06478	2.9
123.04384	3.9
125.02323	7.8
135.04456	2.2
135.08081	3.9
141.01572	8.6
142.02614	4.4
143.03333	1.8
161.04468	2.1
163.11180	21.1
171.10181	4.0
179.05516	3.9
181.12256	5.3
183.26001	1.8
191.05482	9.9
195.13837	9.0
207.10199	82.7
208.10590	2.3
209.11696	6.0
211.13344	2.6
221.06621	3.3
223.13365	6.3
225.11264	36.5
235.08237	4.5
251.49660	1.9
253.09358	3.6
275.20074	7.9
291.19617	2.9
293.21207	100.0
294.21591	6.7
340.37521	1.9
379.12524	3.2
397.13458	37.7
415.14511	17.4
605.24652	5.6
607.31042	1.9
623.25354	6.5
691.35394	2.4
724.19666	2.0
863.95032	2.0
881.45319	3.0
899.46570	56.9
900.46643	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	899.4647
Annotation	Unknow
Peak:m/z	Relative Intensity
62.86821	0.8
69.03313	4.3
71.01254	16.5
71.04876	1.7
71.30399	1.2
71.30748	0.9
72.99171	2.5
73.02806	2.7
78.95762	2.1
83.01244	1.8
85.02822	4.5
87.00741	3.2
89.02310	10.6
95.01264	1.3
96.95866	1.0
97.02842	1.5
97.06419	0.9
99.00755	1.1
101.02327	10.1
113.02329	4.4
119.03349	1.0
123.08043	1.0
125.02361	1.9
125.09605	2.2
151.11165	2.0
152.99503	1.0
153.12752	1.6
156.03886	0.7
161.04417	1.3
161.09618	2.0
179.10669	5.2
191.05511	2.4
197.11757	57.5
197.78903	0.9
198.12057	2.1
221.06628	2.5
223.09648	1.6
241.10782	3.6
277.21698	17.8
278.21915	1.3
279.23108	0.8
295.22629	1.3
383.50018	0.9
397.13507	3.0
415.14325	0.9
755.28973	0.9
881.44598	1.3
899.46417	100.0
900.46863	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	899.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01761	11.1
69.03323	3.6
69.35384	1.2
69.35810	2.2
71.01255	5.4
73.02811	0.5
81.03334	3.0
83.04903	2.3
85.02818	7.3
87.00750	18.3
87.01284	1.0
88.98650	0.4
93.03335	88.4
94.03662	2.4
97.06442	0.6
99.00750	1.7
99.04394	1.2
101.02325	0.6
105.03354	1.2
108.02021	0.9
109.02838	2.0
111.04406	11.8
113.02334	1.6
115.00178	0.4
115.03933	0.7
117.03336	0.6
121.02834	0.8
124.01568	1.6
125.02332	0.7
127.03899	1.7
129.01848	1.1
132.02074	1.6
133.02863	4.0
134.03627	9.2
135.04413	22.3
136.04747	0.6
137.02344	2.6
143.03375	0.6
144.97681	0.4
145.02859	0.6
150.03123	1.4
150.70840	0.5
151.03922	2.6
155.03423	3.0
159.04576	0.5
160.01587	4.6
161.02316	1.0
162.03154	2.0
165.01836	1.2
165.05396	0.5
171.02876	0.7
173.04471	36.3
174.04832	0.9
177.01807	0.5
178.02650	1.5
179.03397	4.4
180.04175	0.8
181.05009	0.4
187.07578	1.2
189.70593	0.5
191.05540	74.6
192.05867	2.2
195.06572	1.4
215.07112	1.2
231.10179	3.7
257.08160	3.0
275.09238	7.4
276.09763	0.5
284.03000	0.5
285.03879	0.9
286.04568	0.5
307.08292	1.4
308.09000	2.8
314.05902	0.5
351.07211	2.5
352.07944	7.0
353.08615	0.7
392.53131	0.4
449.14505	100.0
450.14771	7.6
899.29065	2.8
900.31287	0.6
910.67059	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01756	9.8
68.99698	0.9
69.03312	3.6
69.35917	5.3
69.36319	1.2
71.01242	4.3
73.02827	0.9
80.91273	0.6
81.03337	2.5
83.04910	1.5
83.25332	0.7
85.02823	2.5
87.00745	13.7
93.03333	80.7
94.03675	1.5
96.95914	0.7
98.19743	1.2
99.00748	1.5
99.04398	1.7
101.02370	1.3
108.02096	0.7
109.02834	1.1
111.04406	11.0
113.02324	0.8
116.32536	0.6
117.03380	0.6
127.03871	0.7
129.01814	1.2
133.02855	1.6
134.03624	12.7
135.04451	3.3
137.02402	1.1
149.02376	1.2
151.00285	1.7
151.03934	0.8
151.65642	0.7
155.03395	3.6
173.04471	36.2
174.04837	1.2
178.02609	2.9
179.03401	0.9
191.05531	13.5
203.12799	1.8
231.10260	0.7
239.03508	0.9
240.04155	1.3
246.03714	0.8
268.03748	56.6
269.04449	22.0
270.04910	1.2
271.04968	0.8
275.09177	1.2
285.03894	1.4
293.10263	7.2
294.10727	0.9
311.05429	1.3
367.12836	0.7
431.09802	94.8
432.10123	11.6
449.14493	14.2
450.14764	1.5
467.15552	100.0
468.15900	10.6
549.01440	0.7
552.65393	0.7
825.24622	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.5064
Annotation	Unknow
Peak:m/z	Relative Intensity
64.71109	1.6
69.03324	1.5
71.01250	100.0
71.42530	2.9
72.99186	3.3
73.02800	3.2
78.95775	10.2
79.95605	2.7
80.96403	4.5
81.03313	2.1
82.36897	1.4
83.01272	2.7
85.02820	5.3
87.00756	7.2
89.02323	18.4
94.98007	1.9
96.96827	2.4
97.02811	4.4
99.00758	3.5
101.02324	16.1
109.06462	5.9
109.29921	1.7
113.02328	8.2
119.03384	5.6
125.02313	10.0
125.09623	3.1
127.11156	2.0
143.03375	2.8
152.99492	2.9
161.04446	4.7
163.11201	6.3
166.87364	1.5
171.10173	49.3
172.10492	2.0
179.05560	4.6
191.05542	1.9
199.09746	10.7
201.11269	17.8
207.10193	18.4
209.11804	2.5
212.34470	1.7
221.06625	2.1
225.11282	16.5
235.08141	6.3
241.01122	6.0
255.23259	74.9
255.25967	3.8
256.23547	5.2
263.53168	1.7
296.04141	1.6
305.08594	2.1
343.21188	2.2
379.12350	5.8
397.13464	39.1
398.13837	3.9
415.14404	7.3
457.04462	1.8
732.90393	1.6
733.95160	2.0
835.46436	2.4
861.47839	11.5
862.49182	3.9
879.49347	2.3
897.50244	33.1
898.50562	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	896.3765
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01759	2.2
69.03334	1.9
69.19060	13.7
71.01252	4.4
72.99187	1.5
75.62376	1.4
78.95786	1.3
81.03310	1.2
85.02830	11.3
87.00758	6.9
93.03327	20.9
101.02336	4.3
109.02857	2.5
111.04422	2.9
115.00253	1.4
116.92656	1.5
127.03909	2.1
135.04405	9.4
137.02359	2.3
147.04431	1.5
150.03107	1.6
155.03404	4.3
159.04488	1.4
161.02261	1.9
171.02875	1.6
173.04486	11.9
175.03912	1.8
176.95531	1.3
179.03322	3.1
181.04930	1.4
191.05533	100.0
192.05872	4.1
209.11766	1.5
215.07079	3.4
226.37900	1.3
229.01402	4.0
293.04315	2.3
294.86032	1.5
308.10379	1.8
336.09869	2.6
392.07578	2.9
433.09424	2.1
463.10907	15.3
466.86072	1.5
472.97202	1.2
476.17981	1.6
581.16223	8.8
608.15015	4.0
705.21747	6.3
800.21179	3.4
896.35138	1.9
897.27789	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	897.4851
Annotation	Unknow
Peak:m/z	Relative Intensity
63.36443	0.7
68.99049	0.7
69.03309	2.7
71.01250	18.3
71.04888	0.8
71.50977	0.6
71.51433	0.7
72.99194	1.0
73.02811	3.3
78.95777	1.9
80.96391	0.8
81.03277	1.0
83.01297	0.8
85.02824	3.9
87.00755	3.4
89.02319	12.5
93.03334	2.1
94.62268	0.7
95.01269	1.4
95.04857	0.9
97.02812	1.5
101.02319	13.1
103.46379	0.7
109.02818	1.0
109.06477	0.7
113.02325	7.0
113.65697	0.6
119.03384	4.3
125.02322	4.8
131.03403	0.7
133.02849	3.0
135.04395	1.1
143.03394	2.3
161.04480	2.1
167.10683	2.4
173.04405	1.2
179.05513	3.3
179.14336	2.7
191.05566	5.2
195.13826	14.5
195.15575	0.9
205.12279	6.4
209.11629	1.6
215.05547	1.4
221.06636	2.2
223.13345	73.3
224.13724	3.4
228.13530	1.0
235.08186	4.1
255.03064	1.7
256.13049	1.4
275.20212	4.9
283.02469	1.4
284.02948	1.0
287.07843	1.1
289.18442	0.8
293.21225	100.0
294.21561	8.6
305.08755	1.4
307.08398	0.7
323.09732	1.7
349.27444	4.1
351.07211	5.9
351.12943	0.8
379.12436	3.2
397.13470	36.6
398.13797	2.1
410.68396	0.8
415.14569	12.7
499.34344	0.9
546.32013	2.4
603.26404	3.3
611.75891	0.9
621.27484	8.0
622.27844	1.7
656.74597	0.9
673.34210	1.1
691.35291	2.8
770.95544	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.3459
Annotation	Unknow
Peak:m/z	Relative Intensity
65.31364	0.6
66.21742	0.5
68.99688	0.7
69.03339	1.9
71.01251	5.8
71.51583	1.0
73.02832	1.9
83.01217	0.5
85.02830	3.4
87.00745	2.7
89.02298	3.1
93.03333	5.1
95.01273	0.9
96.95887	0.7
97.02827	2.4
99.92473	1.4
101.02338	2.2
108.02026	0.9
109.02816	0.9
113.02299	1.2
116.92742	20.9
117.01821	1.6
117.92749	1.2
119.03419	0.7
119.04924	0.5
121.02821	5.1
122.03625	13.3
123.00767	1.3
123.04398	1.6
124.01525	0.7
132.02065	0.6
133.02823	2.7
133.06319	0.5
134.03633	1.0
135.04422	2.0
136.01588	1.4
137.02338	1.1
149.02348	20.1
149.05954	1.0
150.03127	95.3
151.03511	3.1
155.03416	0.9
155.10628	1.4
164.04683	3.8
165.05478	100.0
166.05832	4.3
168.16313	0.5
172.01274	0.6
172.97092	0.5
173.04411	1.9
175.03885	0.7
177.01794	0.6
177.05486	0.6
177.13911	0.5
179.03416	1.1
179.05510	1.1
179.06961	0.8
179.10606	0.6
179.27489	0.4
180.04198	6.2
181.08553	0.5
191.05551	10.2
193.04945	1.1
195.06552	47.6
196.06854	2.7
197.87048	0.5
199.09724	1.1
238.06514	0.6
242.86397	0.4
243.10277	0.6
253.08563	0.6
270.05350	0.6
279.06381	0.6
296.06888	0.7
298.08270	0.6
299.09280	0.7
300.67819	0.6
311.09180	1.9
312.09787	0.8
313.10681	2.3
325.10922	0.7
327.08734	0.5
327.12247	2.2
341.10022	0.8
342.10980	0.6
343.07938	0.8
344.13007	0.7
345.13312	1.5
356.12503	1.4
357.13287	1.8
359.15054	1.6
369.15363	1.2
371.14935	1.0
373.11569	2.2
385.12872	1.2
399.14349	1.1
431.09756	1.5
444.14252	0.7
449.14258	1.1
451.13702	1.6
461.16000	0.5
467.15872	0.7
475.16257	3.0
481.14813	1.2
487.16095	7.2
488.16089	1.3
490.18402	9.9
491.18692	1.2
491.47409	0.6
502.18494	5.0
505.20828	38.1
506.21231	4.5
517.20770	32.4
518.21075	3.7
535.21265	2.2
607.22272	0.5
653.26147	0.7
665.26154	8.3
666.25592	1.6
683.27057	10.9
684.26642	1.8
713.26257	2.2
731.29169	61.5
732.29431	12.6
893.30505	1.5
896.53912	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.3453
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01747	0.7
69.03313	1.6
71.01246	4.7
72.99171	1.3
73.02813	1.3
84.27512	0.4
85.02821	3.6
87.00763	1.3
87.04362	0.5
89.02315	3.2
93.03327	5.3
96.95897	1.0
97.02836	2.2
99.92458	1.7
101.02330	1.6
108.02013	0.5
109.02837	0.8
111.04383	0.5
113.02351	1.5
115.00236	0.5
116.92744	14.9
117.92771	0.9
119.03391	1.0
121.02843	5.5
122.03627	12.2
123.04414	1.8
133.02831	1.9
134.03642	1.1
135.04427	1.1
136.01578	1.1
137.02356	0.9
137.05946	0.5
149.02344	21.8
149.05980	0.9
150.03127	96.2
151.03416	2.7
155.10651	1.4
160.01596	0.6
161.02324	1.1
162.03131	0.6
163.03854	0.5
164.04697	4.1
165.05479	100.0
166.05829	3.6
173.04445	1.2
179.03429	0.8
179.05600	0.5
180.04184	6.8
191.05557	6.8
192.05945	0.5
195.06555	46.3
196.06895	1.5
199.09564	0.8
213.05600	1.1
241.10716	0.5
255.03046	0.7
267.06686	0.5
269.04813	0.9
271.09714	0.8
285.03885	0.7
296.06839	1.1
297.07684	0.7
298.08298	0.7
299.09341	0.7
300.09998	0.8
308.47134	0.4
311.09213	2.0
312.10010	0.5
313.10788	3.1
325.10840	0.7
327.12366	1.4
341.10110	1.1
343.08224	0.5
344.12579	0.8
345.13281	1.0
356.12531	1.0
357.13422	1.9
359.15057	1.3
369.15594	1.1
371.15033	0.7
373.12125	1.7
385.12973	2.0
387.14417	0.6
431.09842	0.8
444.14752	0.7
449.14459	1.4
451.13797	0.6
460.13596	0.6
475.16333	3.3
481.15054	1.1
487.16016	7.9
488.16757	1.1
490.18427	10.4
491.18762	1.4
502.18369	4.1
503.18790	1.1
505.20782	38.4
506.21405	4.1
517.20758	32.3
518.21246	3.9
535.22034	2.2
653.26141	1.2
665.25952	8.3
666.26392	1.3
683.27155	9.9
684.27142	2.0
713.26367	1.3
731.29193	64.2
732.29474	11.2
821.32373	1.0
835.89392	0.5
893.30042	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.3451
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01771	4.1
68.99688	36.1
69.03324	10.2
69.94834	0.5
70.00009	0.7
71.01255	15.1
72.99180	1.9
73.02811	0.6
73.82150	0.4
79.01775	0.7
80.91553	1.4
81.03318	0.8
83.02390	1.1
85.02812	4.8
87.00746	2.1
89.02316	18.2
93.03339	5.3
95.01264	36.4
95.04951	0.6
96.01615	0.6
96.95895	0.9
97.02835	14.4
99.00758	1.1
101.02325	61.8
102.02606	0.7
106.97569	0.5
108.02061	1.3
109.02840	1.5
111.04415	1.1
113.02329	6.8
119.03384	9.6
119.04893	1.0
121.02850	8.7
122.03626	1.4
123.00842	1.4
123.04408	19.1
125.02306	0.8
127.03899	3.5
131.03416	0.8
135.04417	2.0
137.02368	1.1
137.09569	0.6
141.01842	0.8
143.03389	2.0
145.02875	1.2
147.04413	0.7
149.02368	2.6
149.04445	0.7
149.05986	0.8
150.03137	1.6
151.03888	0.7
153.05479	0.7
155.03407	100.0
155.10699	2.7
156.03758	2.6
161.04482	0.9
161.05988	1.1
163.03842	0.8
165.05473	2.1
173.04471	2.1
175.04002	0.7
177.05510	0.8
179.03435	1.1
179.05560	3.6
179.06950	1.1
181.04907	0.7
191.05537	11.0
191.07152	0.9
199.09676	2.0
209.11824	1.4
225.05371	0.6
255.02777	0.9
283.02768	0.6
285.04016	1.2
299.66296	0.6
314.11670	0.6
328.13263	1.1
341.10623	1.2
343.11865	0.7
343.15591	5.1
361.16290	1.3
439.17609	2.3
440.18420	1.2
449.14804	1.6
452.18481	0.7
452.29236	0.7
455.20984	1.2
467.20776	15.5
468.21085	2.0
492.21552	1.2
499.19711	56.9
500.20154	6.6
505.19403	1.6
539.09503	0.7
551.22833	5.1
552.23529	0.6
569.23792	7.5
570.24097	1.7
661.24988	2.9
699.26599	0.7
731.29181	57.9
732.29565	10.2
894.31262	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.3456
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01764	3.5
68.99692	37.3
69.03329	10.9
69.16139	1.3
69.16541	4.7
70.00019	0.9
71.01257	15.6
72.99184	1.7
73.02789	0.7
76.27182	0.5
79.01763	0.6
83.01261	0.8
83.02370	1.9
85.02835	4.3
87.00745	1.7
88.98733	0.5
89.02318	16.5
93.03328	2.9
95.01268	36.9
95.04884	0.7
96.01609	0.7
96.95893	0.9
97.02831	13.7
98.20573	1.3
99.04435	0.6
101.02326	59.9
102.02654	1.0
108.02055	1.3
109.02831	1.6
111.04431	0.9
113.02329	6.4
119.03391	8.0
121.02850	9.4
122.03677	1.2
123.00755	1.1
123.04414	18.1
124.04777	0.6
127.03918	3.1
131.03394	0.7
132.58298	0.5
134.03650	0.7
135.04411	1.8
137.02345	0.9
137.05913	0.6
141.01881	0.6
143.03413	1.6
147.04459	0.8
149.02357	2.2
149.04372	0.7
149.05984	1.0
150.03104	1.3
151.03946	1.0
155.03412	100.0
156.03777	3.4
161.02342	1.0
161.04489	1.4
161.05934	1.2
163.03964	0.8
164.04665	0.6
165.05516	1.7
173.04486	1.3
173.05980	0.8
175.03970	0.9
179.05556	3.1
191.05551	8.5
191.07164	0.9
192.05827	1.0
235.09676	0.9
285.04144	0.8
328.13101	0.9
343.15546	4.8
343.34113	0.5
361.16711	1.1
439.17719	2.1
440.18405	2.4
455.21490	0.7
467.20868	14.8
468.21371	1.4
492.21710	0.6
499.19748	55.4
500.20166	6.3
507.23773	0.6
527.13666	0.7
537.21008	0.8
551.22668	4.9
569.23975	8.2
570.24091	1.2
661.24658	0.8
731.29169	54.2
732.29498	9.1
893.32721	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.5011
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98699	2.3
69.03305	2.7
70.29767	9.2
71.01256	23.7
72.63241	2.2
73.02805	4.8
78.95784	2.6
83.01250	3.9
83.04929	2.6
85.02850	6.4
87.00752	7.0
89.02312	20.6
97.02825	12.6
101.02351	18.3
109.06474	35.0
113.02327	9.8
119.03362	4.1
125.02324	5.7
135.08064	2.6
137.90630	2.3
141.01813	2.8
143.03429	4.9
161.04495	5.4
163.11172	15.7
176.49446	2.1
179.05551	6.1
181.12221	3.1
207.10204	100.0
208.10591	4.6
212.90933	2.5
225.11264	33.1
235.08252	5.6
243.12302	2.4
268.35580	2.3
281.24850	79.7
282.25189	5.4
318.99820	2.6
379.12415	4.9
397.13480	56.9
398.13379	2.7
415.14581	13.9
605.24225	6.4
617.88165	2.9
623.25793	4.6
637.51550	2.2
679.39001	2.6
792.54498	3.1
887.50146	59.3
888.49548	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	889.516
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98689	1.2
69.03308	1.1
71.01252	16.0
71.49991	1.0
72.99179	1.3
73.02814	2.7
80.02532	1.2
81.03319	1.4
83.01259	1.6
83.04885	4.1
84.02048	0.9
85.02821	4.0
87.00745	4.4
89.01761	0.6
89.02315	12.2
93.03321	0.5
95.01232	1.4
95.04858	0.5
97.02826	2.7
99.00744	1.4
99.04376	0.4
101.02316	12.0
109.06463	0.5
113.02333	6.2
115.03886	0.5
116.92803	0.6
117.84872	0.4
119.03374	3.5
125.02314	6.6
125.05977	0.6
131.03392	0.6
141.01897	0.5
143.03380	2.8
146.50334	0.4
161.04478	3.1
163.11162	3.5
165.12776	2.2
179.05510	3.7
181.12321	0.6
191.05487	0.5
191.10687	0.9
199.06117	0.5
209.11757	100.0
210.12094	5.2
217.07097	0.9
221.06636	1.5
225.11270	0.5
227.12825	12.6
235.08168	6.1
253.09239	1.2
259.08249	0.6
281.24835	58.5
282.22308	0.8
282.25168	5.2
287.07727	1.6
290.73471	0.4
295.26477	0.7
305.08719	2.6
323.09631	1.0
379.12411	7.7
380.12820	0.9
394.25946	0.4
397.13477	44.1
398.13901	3.0
415.14545	9.0
416.14810	1.1
607.25287	0.9
661.38135	0.6
679.39050	1.5
889.50983	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	885.4849
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99690	0.2
69.03326	0.7
71.01251	16.4
71.08100	0.4
72.01581	0.3
72.99173	1.2
73.02811	2.9
75.00754	0.3
78.95776	0.2
80.02532	0.9
81.03317	1.9
83.01262	1.6
83.04895	4.8
84.02029	0.5
84.81709	0.2
85.02824	4.2
87.00746	4.0
89.02313	13.0
90.02646	0.2
93.03330	0.4
95.01248	1.4
95.04904	0.6
97.02824	2.6
97.06411	0.2
99.00740	1.0
99.04385	0.3
101.02321	13.0
102.02696	0.4
103.03859	0.2
109.02852	0.3
109.06469	0.4
111.00791	0.3
111.04417	0.6
113.02331	7.0
115.03860	0.4
117.16850	0.2
119.03391	3.4
121.02845	0.3
125.02328	6.2
125.05998	0.5
127.03900	0.3
131.03406	0.7
133.04926	0.5
135.08040	0.6
136.13734	0.2
139.03902	0.6
141.01822	0.3
143.03409	2.4
145.04985	0.3
149.04482	0.3
161.04463	3.0
163.11195	4.0
165.12755	2.6
167.03407	0.4
169.04913	0.2
179.05539	3.2
181.12265	0.7
191.05528	0.4
191.10736	1.0
199.06013	0.5
209.11761	100.0
210.12112	5.2
217.07083	0.8
221.06575	1.4
227.12828	12.9
228.13170	0.4
235.08208	4.7
245.06706	0.4
251.12849	0.5
253.09204	0.8
259.08078	0.5
259.20386	0.4
263.07553	0.4
275.20139	0.3
277.21704	49.3
278.22061	4.6
287.07718	1.6
291.23141	0.2
305.08810	1.8
323.09735	1.0
379.12442	6.1
380.12653	0.5
397.13477	35.0
398.13800	2.7
415.14545	8.4
416.14951	0.6
589.25690	0.3
607.25824	0.7
621.88794	0.2
675.35809	0.5
768.73096	0.3
885.47913	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4852
Annotation	Unknow
Peak:m/z	Relative Intensity
65.02876	0.2
68.99686	0.2
69.03315	0.8
69.93489	0.8
71.01251	13.8
72.99172	0.9
73.02815	1.8
75.00735	0.3
80.02552	1.0
81.03327	1.9
83.01239	2.0
83.04889	5.6
84.02045	0.8
85.02824	3.4
87.00748	3.4
89.02315	10.8
93.03316	0.4
95.01247	1.0
95.04890	0.9
97.02820	2.4
99.00739	0.6
101.02318	9.7
109.06470	0.6
111.00743	0.3
111.04376	0.3
113.02328	5.6
115.03910	0.2
119.03387	2.4
120.48009	0.2
121.02793	0.2
125.02332	5.1
125.05970	0.5
131.03358	0.4
133.04901	0.2
135.08038	0.7
138.30179	0.2
139.03903	0.5
142.30788	0.2
143.03389	2.2
147.11647	0.2
149.04482	0.3
161.04457	3.0
163.11194	3.5
164.11497	0.3
165.12753	2.2
166.13228	0.2
167.03458	0.3
179.05528	3.3
181.12274	0.7
191.10736	1.1
199.06021	0.4
203.05614	0.2
207.10268	0.4
209.11761	100.0
210.12112	5.3
217.07092	0.6
221.06560	1.3
225.11189	0.3
227.12839	10.2
228.13174	0.4
235.08162	4.4
236.08540	0.3
245.06641	0.3
251.12878	0.6
253.09244	0.8
256.25290	0.2
259.08112	0.2
263.07581	0.4
277.21704	40.3
278.22055	3.7
287.07657	1.9
291.23444	0.2
305.08658	1.5
323.09775	0.8
361.11160	0.3
371.07098	0.2
379.12454	5.7
380.12491	0.3
397.13477	28.6
398.13870	2.1
409.69815	0.2
415.09009	0.4
415.14551	8.2
416.14954	0.6
589.24854	0.6
607.26062	1.1
608.25867	0.3
675.35956	0.2
885.47333	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.3395
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01410	0.3
67.01760	4.2
68.99720	0.2
69.03325	0.9
71.01260	1.6
71.50374	0.3
81.03321	0.9
83.04882	0.8
83.58379	0.2
85.02816	3.8
87.00750	6.6
93.03331	27.0
94.03661	0.7
99.00771	0.5
99.04376	0.6
101.02324	0.5
109.02835	0.8
111.04405	3.8
113.02324	0.4
117.03350	0.5
127.03893	1.1
129.01843	0.7
134.03624	8.3
134.04652	0.4
137.02399	0.3
143.03387	0.4
149.05971	0.7
155.03403	0.8
160.01596	0.5
171.02919	0.4
173.04468	7.8
174.04794	0.3
175.03914	0.5
186.28716	0.2
191.05533	100.0
192.05890	2.9
193.04984	4.4
220.06075	0.2
233.94073	0.2
289.44482	0.2
367.10315	33.4
368.10645	2.4
404.71558	0.2
547.89209	0.3
805.36053	0.2
881.48108	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.4702
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98695	4.4
69.03320	1.8
71.01251	23.6
72.99182	2.7
73.02814	3.8
75.00745	1.4
76.78968	0.5
78.95797	0.9
80.02538	1.3
80.96410	0.8
81.03323	4.4
83.01252	2.9
83.04900	3.9
84.02043	0.8
85.02820	6.2
87.00761	5.9
89.02313	19.2
93.03360	1.2
95.01263	1.6
95.04906	1.6
97.02825	11.3
97.06454	0.7
98.20573	1.5
99.00738	3.4
101.02324	18.0
105.01808	0.6
107.04890	1.2
109.06473	35.1
110.03596	1.4
110.06824	0.7
111.00738	0.9
111.04422	1.0
113.02323	10.3
114.02630	0.6
119.03387	5.5
121.06491	2.0
123.04390	1.2
123.64465	0.6
125.02337	8.7
127.03872	0.6
131.03416	0.7
135.08063	4.4
136.05153	1.6
137.02328	0.6
141.01814	1.6
142.02596	3.6
143.03424	3.3
151.03990	0.7
161.04459	4.0
161.09610	2.4
163.11189	19.2
164.11549	0.6
165.09203	0.6
167.03296	0.6
179.05528	5.2
179.10706	0.7
181.12244	4.6
189.09111	2.4
191.05560	1.5
201.11240	5.8
202.11569	1.6
207.10197	100.0
208.10547	5.3
209.11763	10.0
210.12143	3.0
211.12056	0.6
217.07211	0.7
221.06636	2.9
225.11270	45.9
226.11617	2.3
227.12848	1.0
228.07130	0.6
235.08162	5.9
243.12337	1.9
245.06659	0.7
253.09225	1.3
255.23256	4.3
256.23660	3.2
277.21719	51.9
278.22070	3.0
281.14075	0.8
287.07745	1.9
299.14966	1.3
305.08826	1.9
323.09854	1.1
379.12439	7.1
380.12778	1.0
397.13498	43.2
398.13837	5.1
399.13892	0.9
415.14487	13.6
416.14932	1.5
441.33707	1.0
461.20313	0.8
475.03745	0.5
538.74921	0.6
587.23279	1.5
605.24377	7.8
606.24902	0.6
623.25549	8.4
624.25073	0.7
739.39551	0.6
865.45911	1.6
883.46912	50.6
884.46954	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	881.2932
Annotation	Unknow
Peak:m/z	Relative Intensity
64.66777	0.5
68.41515	0.4
69.03323	9.4
69.15591	0.9
69.15990	4.3
71.01251	21.9
72.99178	1.8
73.02824	0.7
81.03326	2.7
83.01281	0.5
85.02818	3.9
87.00761	1.0
89.02315	29.6
93.03333	0.7
95.01266	1.0
95.04916	1.4
97.02823	4.1
97.97089	0.4
98.20644	0.5
101.02323	7.0
107.04922	0.4
113.02320	5.6
119.03378	3.8
121.06403	0.5
123.04418	0.9
125.02331	4.8
131.03403	2.8
133.06516	2.6
143.03432	1.0
149.04462	4.7
149.05772	0.7
151.07547	1.9
161.04466	0.7
169.08609	0.7
177.05464	1.5
179.05515	3.2
191.05562	1.0
193.05019	1.4
195.06575	1.4
213.07561	1.1
279.72736	0.4
283.11926	2.8
287.14288	0.4
301.09695	0.4
301.12906	2.0
327.10837	2.4
357.11893	6.0
358.12375	0.7
373.11368	5.3
507.17160	100.0
508.17526	11.6
509.57727	0.4
650.89819	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.4696
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98701	2.7
67.01765	0.5
68.99689	0.5
69.03324	2.7
71.01254	32.7
72.99175	2.2
73.02817	4.6
75.00719	0.9
78.95752	0.7
80.02541	1.2
80.96395	0.7
81.03330	4.0
83.01248	4.3
83.04908	2.8
84.02047	0.5
85.02825	7.8
87.00748	6.2
88.84618	0.5
89.01760	1.2
89.02314	23.1
93.03362	0.9
95.01262	2.7
95.04899	0.9
97.02821	13.6
97.06423	0.6
98.20592	1.0
99.00742	2.9
101.02322	19.4
107.04919	1.0
109.02865	0.8
109.06475	32.8
110.03642	2.1
110.06784	1.0
111.00758	1.2
111.04403	1.1
113.02330	12.7
119.03384	5.0
121.06519	2.8
123.04433	1.2
125.02332	8.9
125.09565	0.8
131.03394	0.7
133.04979	0.7
135.08058	3.7
136.05186	3.1
139.03918	1.2
140.36023	0.6
141.01828	1.4
142.02631	3.7
143.03384	3.7
161.04471	4.7
161.09590	2.5
163.11189	17.6
164.11470	0.9
167.03334	0.7
171.02928	0.6
179.05505	6.0
179.10683	0.9
181.12250	5.0
189.09090	2.4
191.05595	1.0
194.66808	0.5
201.11234	1.4
207.10201	100.0
208.10561	5.1
209.11758	3.5
210.12111	1.0
217.07184	0.7
221.06570	2.6
225.11267	41.4
226.11604	2.2
235.08214	6.6
236.08531	0.7
243.12302	1.3
253.09267	0.8
255.02861	0.8
255.23137	0.8
263.07852	0.8
277.21716	73.0
278.22043	5.4
281.13947	1.1
283.02408	0.9
287.07697	2.3
299.15033	1.5
305.08679	2.6
323.09802	0.7
379.12491	6.4
380.13266	0.6
397.13477	56.6
398.13779	4.0
415.14587	15.1
416.14960	0.7
517.53229	0.5
587.23669	1.2
590.80261	0.6
605.24329	5.9
606.24243	0.7
623.25446	4.0
656.47382	0.5
675.35706	1.8
703.40167	0.9
865.46027	1.5
883.46918	54.7
884.47192	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	879.5142
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96115	2.0
69.03320	1.1
69.79514	3.2
69.79926	3.0
71.01260	8.3
73.02812	2.4
78.98456	8.6
79.95602	23.1
80.96391	100.0
83.74536	1.1
85.02816	4.3
87.00725	2.7
94.97962	22.6
96.95861	2.2
97.02800	1.7
101.02335	1.9
106.97968	5.1
108.97371	1.0
122.97456	3.9
125.02319	4.9
134.97470	7.4
136.99043	1.6
148.99072	8.0
152.98543	8.3
154.56856	1.2
164.98558	14.3
206.99622	3.8
225.00699	30.2
226.01154	1.2
255.23308	1.1
623.27753	2.2
709.38983	5.6
879.51239	93.7
880.51721	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	879.4774
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96088	1.6
69.54736	0.9
70.98315	1.9
71.01255	10.4
73.02805	1.6
78.98465	7.6
79.95604	51.3
79.97139	1.0
80.96388	100.0
81.03323	1.5
85.02821	4.7
87.00729	3.9
94.97392	1.4
94.97960	22.0
95.73164	1.3
96.95865	1.2
97.02814	2.5
99.00729	1.1
101.02324	2.9
102.14756	1.0
104.39116	0.9
106.97946	4.1
122.97438	4.5
125.02314	4.4
127.03925	2.2
134.97469	8.8
136.99020	2.6
148.99026	9.0
152.98523	9.5
164.98544	19.7
171.10164	3.0
188.98550	1.3
206.99586	5.0
223.99721	1.1
225.00687	36.2
241.00233	1.5
255.23285	2.3
279.94125	1.1
341.05371	2.4
356.44131	1.0
395.04987	0.9
411.13425	1.4
411.18750	1.2
425.14651	1.3
453.14294	2.7
525.16510	1.0
537.27368	5.8
609.28961	1.3
637.32648	1.6
646.50781	1.1
709.38336	59.5
710.38525	8.8
737.40588	5.3
765.40955	6.7
766.41705	1.4
781.40546	8.7
782.40375	1.7
879.48395	43.7
880.48230	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	879.4777
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96107	2.6
69.03349	0.7
71.01252	11.4
73.02824	2.4
73.59159	0.5
78.98463	9.4
78.98888	0.9
79.95606	49.8
80.96391	100.0
81.03325	0.8
85.02836	3.1
87.00754	3.8
94.97960	23.1
96.95882	1.5
97.02822	2.1
101.02361	2.8
106.97971	4.9
119.34699	0.7
122.97489	5.2
125.02338	3.6
127.03866	1.1
132.55826	0.5
134.97470	6.5
136.99065	2.3
148.99026	9.7
152.98531	7.5
161.04468	0.7
164.98558	16.7
171.10201	1.4
206.99696	3.7
225.00703	24.5
226.00981	1.4
241.00203	1.3
255.23318	2.2
283.04956	1.5
341.05545	1.7
425.14771	2.2
453.14343	2.4
537.27277	4.3
630.72644	0.7
635.55231	0.6
637.33044	1.2
645.57697	0.6
651.34351	0.8
679.36737	1.1
709.38361	55.9
710.38379	8.7
729.85797	0.6
737.41199	4.1
765.41187	6.8
781.40570	6.6
782.41187	1.3
865.97614	0.6
871.85938	0.8
879.47833	29.8
880.47998	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	879.4776
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96104	2.6
71.01244	9.2
71.50453	0.7
73.02843	1.7
78.95787	0.8
78.98466	9.5
79.95606	47.9
80.96389	100.0
81.03312	1.6
85.02830	2.9
87.00743	3.3
94.97962	23.2
96.95888	1.6
97.02838	2.6
98.19829	1.5
99.04429	1.0
101.02317	2.5
106.97956	4.0
122.97448	6.2
125.02344	4.4
127.03858	1.5
134.97469	8.2
136.99026	2.7
148.99030	8.7
152.98546	7.9
156.06645	0.7
161.04379	1.1
164.98557	17.1
167.00217	1.0
171.10217	1.5
179.00050	0.9
206.99626	5.7
225.00708	31.6
226.00977	1.2
241.00162	1.1
255.23338	3.2
341.05557	2.3
425.15018	2.4
453.14362	3.1
537.27167	4.0
609.29895	1.4
709.38367	45.7
710.38794	7.8
737.40887	4.0
765.40802	5.0
781.40118	4.8
879.47986	31.2
880.48822	6.7
901.56836	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00198	1.1
65.12524	0.3
68.99678	0.3
69.41302	0.7
69.41712	1.5
83.01267	0.6
85.02837	0.4
87.00742	0.3
89.02318	0.3
93.03344	1.0
95.01242	0.4
98.19814	0.6
101.02326	0.4
105.03337	0.3
107.01275	1.0
111.00747	0.4
113.02376	0.3
117.03382	0.3
121.02805	0.2
133.01335	0.4
133.02835	4.3
135.04399	0.5
136.98712	1.3
145.02763	0.3
149.02348	1.4
151.00267	3.8
153.38435	0.3
157.06438	0.2
165.01807	0.3
165.05411	0.5
167.05014	0.3
171.04422	0.8
173.04523	0.4
175.03915	1.4
185.05995	0.6
187.03925	0.9
191.05540	2.7
195.06485	0.3
197.05981	0.3
199.03912	1.3
200.04608	0.5
201.01860	0.7
204.98801	0.2
211.03798	0.6
212.04774	0.3
213.05435	1.1
215.03423	0.5
217.05025	1.1
227.03535	0.6
228.04115	0.4
229.05054	0.5
239.03450	0.7
240.04219	0.7
241.05023	1.2
243.02852	0.4
255.02914	0.5
256.03674	0.9
257.04422	0.5
267.03064	0.6
268.03769	9.1
269.04532	4.6
270.04813	0.7
283.02426	0.6
284.03281	11.3
285.04034	100.0
286.04388	6.8
299.05600	0.3
327.05243	0.3
352.08408	0.3
361.16531	0.4
431.09811	11.2
432.10065	1.1
433.10846	0.3
447.09296	35.7
448.09598	3.8
678.07782	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.4807
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03334	4.8
71.01257	12.9
71.04896	1.7
71.51053	0.8
72.99166	1.8
73.02818	1.6
78.95786	0.7
81.03346	0.8
82.09260	0.8
83.01241	1.4
85.02820	3.3
87.00763	2.0
88.83857	0.7
89.02310	8.4
95.01283	1.1
97.02837	2.3
97.06462	1.1
99.00759	0.8
101.02327	8.6
113.02361	4.0
119.03391	1.9
121.02851	0.7
123.08017	0.9
125.02321	2.0
125.09625	1.3
133.40118	0.8
151.11200	2.3
161.04443	1.1
161.09663	2.0
179.10733	5.3
191.05565	1.1
197.11760	33.2
209.11783	2.1
211.07497	1.0
221.06569	1.5
223.09698	0.7
235.08041	0.8
241.10809	2.1
255.23277	42.9
256.23538	4.3
282.94809	0.8
397.13376	2.7
415.14716	1.2
428.94495	0.8
649.16754	0.9
877.48041	100.0
878.48492	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	874.3142
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98701	100.0
62.98394	0.2
64.81207	0.1
65.44413	0.1
68.99703	0.3
69.03323	0.2
71.01260	0.4
85.02813	0.4
87.00747	0.3
89.02310	0.3
91.70609	0.1
93.03355	1.1
95.01279	0.2
96.95893	0.4
97.02853	0.2
98.19824	0.4
101.02337	0.5
102.02624	0.1
109.02863	0.1
111.04382	0.2
127.03940	0.2
133.02878	0.1
135.04446	0.3
137.02322	0.1
147.04430	0.1
149.02251	0.1
151.03789	0.2
155.03427	0.6
161.02353	0.2
165.01933	0.2
165.05487	0.2
173.04459	0.9
174.04805	0.1
177.01910	0.2
179.03427	0.2
180.04195	0.2
180.25308	0.1
191.05550	2.3
192.05948	0.2
195.06531	0.2
248.56891	0.1
341.08569	0.1
353.08899	0.1
432.48499	0.1
449.14536	0.6
450.15082	0.3
490.12396	0.1
529.58563	0.1
537.18298	0.1
635.57507	0.1
642.28674	0.2
689.53601	0.1
713.26501	0.1
719.00055	0.1
721.97711	0.1
727.64093	0.1
874.31567	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.4796
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98683	0.9
63.45192	0.7
69.03317	3.6
71.01254	14.5
71.04856	1.0
71.50719	0.9
71.54348	0.6
72.99164	1.4
73.02815	1.7
75.00738	0.8
78.95795	1.0
83.01236	1.9
83.04871	1.2
85.02844	3.6
85.91329	0.7
87.00741	2.7
89.02311	10.8
93.03289	0.7
95.01247	0.9
97.02825	1.9
97.06426	0.6
99.00748	1.7
100.15955	0.6
101.02317	9.7
113.02316	4.4
119.03377	1.9
123.08036	1.7
125.02326	2.7
125.09602	1.7
148.26823	0.7
151.11177	1.7
153.12700	0.8
161.04395	1.6
161.09569	1.7
169.12172	0.8
179.10670	5.1
183.76709	0.7
191.05463	1.1
197.11749	60.4
198.12062	3.2
209.11833	0.9
211.07588	2.8
216.10217	0.8
221.06612	2.6
223.09593	0.9
235.08101	1.3
241.10742	2.7
255.23259	30.6
256.23642	2.3
346.78098	0.7
397.13724	3.1
461.03619	0.8
469.67227	0.7
639.24847	0.9
859.48389	1.0
877.47943	100.0
878.48230	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	874.3141
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98701	100.0
62.98391	0.1
63.99126	0.1
68.99679	0.9
69.03335	0.4
69.58111	0.3
69.58530	0.3
71.01265	0.9
72.99193	0.2
73.02814	0.2
78.16654	0.1
82.40524	0.1
83.01299	0.1
85.02819	0.6
87.00740	0.2
89.02309	0.8
93.03348	0.8
95.01237	0.1
95.04935	0.1
96.95886	0.5
101.02317	1.4
102.02679	0.1
107.04935	0.2
109.02850	0.2
113.02338	0.4
116.92743	0.2
119.03410	0.3
119.04888	0.1
121.02827	0.5
122.03172	0.1
132.56906	0.1
135.04422	0.2
137.02377	0.2
139.00325	0.1
147.04427	0.3
148.28255	0.1
149.02307	0.1
150.03159	0.2
151.03938	0.2
153.05479	0.1
153.25970	0.1
161.04579	0.1
165.01868	0.2
165.05574	0.2
171.04427	0.1
173.04533	0.3
173.05942	0.1
179.03490	0.5
179.05588	0.2
181.05077	0.1
191.05521	2.0
191.07117	0.1
192.05940	0.2
195.06590	0.2
203.03555	0.1
243.58430	0.1
258.33310	0.1
305.38284	0.1
341.08710	0.9
342.05502	0.1
342.09332	0.3
417.25089	0.3
418.25101	0.2
429.14188	0.2
430.14658	0.1
438.09805	0.1
449.15030	0.1
530.76990	0.1
565.30304	0.2
566.30725	0.4
597.29083	0.7
598.29517	1.0
599.30188	0.1
668.34076	0.2
781.74023	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.3393
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98699	2.2
67.01766	1.5
68.99692	1.5
69.03336	1.0
71.01255	2.3
85.02827	3.6
87.00751	0.5
87.92773	0.5
88.98694	2.2
89.02322	1.8
92.33794	0.5
93.03340	3.0
95.01247	1.3
96.95897	0.7
101.02332	4.3
105.89311	0.6
109.02840	1.4
113.02319	2.2
121.02867	1.1
123.00813	0.8
131.03384	3.0
133.02858	1.1
135.04420	10.4
136.01576	1.7
137.02348	20.4
138.03114	0.7
145.02872	0.8
147.00801	0.8
147.04460	0.7
148.01555	0.8
149.02399	1.3
150.03117	1.1
151.00273	2.9
151.03908	2.9
154.02660	0.6
155.03384	3.5
161.02370	2.4
162.03156	1.5
163.03914	2.2
164.01062	2.6
164.04672	1.1
165.01851	100.0
166.02603	9.2
167.03171	0.7
173.04530	1.4
173.05945	1.1
175.03918	2.3
176.04527	0.6
177.01859	1.1
177.05504	1.2
179.03424	29.7
179.06973	1.8
180.04208	54.3
181.04994	29.6
182.05316	1.3
188.04823	0.9
189.05531	1.1
190.06325	2.7
191.05554	11.8
191.07060	1.7
192.04271	0.6
193.04999	1.6
194.05753	7.0
195.02866	1.8
195.06569	60.5
196.06882	2.1
203.07234	0.7
205.08650	3.5
207.06583	3.6
208.07416	1.0
209.08118	5.2
210.05270	10.9
211.05949	1.4
215.07190	0.7
225.07645	45.1
226.07967	2.1
353.08881	0.7
373.12970	1.2
375.14597	1.0
388.15048	0.7
389.16049	9.9
390.16339	1.5
394.66376	0.6
399.12918	0.7
403.14026	1.3
418.16071	0.9
419.17169	0.7
419.23215	0.6
473.13055	0.6
551.17737	9.6
552.18402	0.8
555.82220	0.6
561.17969	0.8
567.22412	7.6
568.22449	1.5
596.22778	1.2
597.23395	10.6
598.23572	1.5
615.24738	3.4
639.26654	0.7
644.25677	0.6
645.25787	3.8
646.26123	0.6
775.29675	4.9
776.29816	1.0
823.32172	2.0
871.34821	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	873.3761
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98699	25.3
62.18819	1.0
65.03828	1.4
67.01744	1.5
68.99687	45.4
69.03328	14.1
71.01253	60.9
72.99177	4.4
73.02818	6.5
75.00762	2.0
76.74245	1.3
83.01262	5.2
85.02293	1.4
85.02821	36.2
87.00755	4.3
89.02316	54.9
91.01761	6.5
93.03333	22.4
95.01250	5.7
96.95848	1.4
98.19764	2.3
98.20444	5.1
99.00751	2.3
101.02321	87.6
102.02644	1.3
107.04907	19.3
113.02328	24.4
119.01267	2.0
119.03389	21.1
119.04836	2.0
120.66523	1.1
121.02838	45.5
121.06479	10.2
123.04411	2.3
125.02332	2.4
127.03958	1.5
130.04178	1.1
131.03363	2.0
135.04398	2.6
137.02316	2.0
143.03401	4.3
143.04845	1.3
145.06477	3.9
147.04431	12.7
149.02342	2.8
149.04425	2.8
151.03917	9.7
153.05478	15.7
159.02940	2.0
161.02368	1.2
161.04469	11.0
161.05754	2.0
162.04863	1.1
163.03973	1.0
163.07503	2.1
165.01875	6.6
165.05446	3.1
171.04439	4.6
173.04535	2.3
173.05919	8.4
173.93423	0.9
179.03404	36.4
179.05504	10.8
180.03728	1.7
181.04956	7.9
185.05907	1.7
187.07513	2.3
189.05518	2.0
191.05521	9.0
191.07086	2.3
191.16400	1.0
193.04909	1.8
195.06566	2.2
197.04507	3.9
205.08633	2.8
209.11774	2.1
217.05023	2.2
221.04416	1.8
231.06595	4.1
245.07967	1.0
249.07738	6.0
255.19687	1.4
273.07687	2.6
275.54160	1.1
291.08594	1.1
309.09811	12.6
341.08771	81.3
342.09155	7.2
411.12927	12.7
412.13416	1.8
417.24875	22.9
418.25085	2.4
429.13992	21.8
430.14310	2.6
485.27612	4.0
565.30231	35.9
566.30432	5.4
597.29169	100.0
598.29626	16.7
617.29706	1.5
649.32330	4.2
667.33325	18.0
668.33575	4.5
829.39386	2.0
873.37567	5.4
905.37561	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.3251
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98699	1.5
67.01763	1.6
68.99700	0.8
71.01241	1.1
73.02818	0.4
78.95744	0.6
81.03291	0.5
85.02826	1.4
87.00735	0.9
93.03324	2.4
95.01268	0.6
95.04900	0.5
96.95851	0.5
98.20559	1.3
99.00739	0.4
101.02306	0.6
107.48336	0.3
108.02055	0.8
109.02841	3.5
111.00733	0.4
111.04358	0.6
113.02370	0.5
119.04936	0.7
120.02039	0.3
121.02846	1.3
122.03631	1.2
123.00771	1.3
123.04407	0.7
127.03898	0.4
133.02831	0.8
135.04410	1.7
136.01549	1.6
137.02348	22.3
138.03107	1.1
147.00804	0.8
148.01680	0.4
149.02379	2.7
150.03131	6.7
151.00270	4.2
151.03929	3.3
152.01039	1.3
152.04716	0.4
153.01842	0.8
153.05460	0.7
155.03384	0.7
157.23346	0.4
159.04399	0.7
161.02362	1.7
162.03137	0.5
163.03902	0.8
164.01067	2.4
164.04680	1.4
165.01846	100.0
165.05472	7.2
166.02628	14.7
167.03340	0.6
168.04216	0.4
173.04477	1.5
175.03894	1.1
176.01036	0.5
177.01828	1.5
177.05443	0.8
178.02649	0.7
179.03424	20.7
179.07027	1.5
180.04204	53.9
181.04985	34.9
182.05325	1.2
187.03912	0.4
188.04819	0.4
191.03712	0.8
191.05545	8.5
191.06992	0.3
192.04202	1.1
192.05952	0.9
193.04883	0.5
194.05763	4.3
195.02950	2.7
195.06564	69.8
196.06877	3.2
199.03819	0.4
205.04990	1.7
207.06590	1.9
209.08174	6.6
210.05281	10.8
210.08325	0.6
211.05957	1.0
219.06612	0.4
220.07343	0.6
223.06137	0.7
225.07646	45.4
226.07968	1.8
228.17966	0.4
229.85986	0.4
285.03833	0.6
308.69318	0.4
359.11490	0.5
387.10577	1.0
387.14548	1.4
399.14444	0.8
402.13226	0.9
403.14026	2.3
416.14703	1.8
417.15579	10.3
418.15805	0.9
449.14587	0.4
451.16028	0.6
463.10977	0.5
497.27234	0.4
565.17670	0.7
580.19672	0.5
581.19916	0.5
594.21094	2.6
595.21844	16.9
596.22015	2.4
625.22681	0.9
643.23871	3.8
644.23853	0.6
649.22620	0.7
773.28088	4.8
774.27808	0.9
790.23279	0.4
803.28754	0.5
821.30719	0.9
869.32599	1.7
870.32324	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
61.49321	0.4
61.98690	2.4
67.01763	1.0
69.06163	0.4
71.01255	1.0
78.95768	0.8
85.02814	1.0
87.00768	0.8
89.02330	0.7
93.03339	1.6
98.20187	3.6
101.02332	0.8
107.04907	0.6
108.02065	0.8
108.03159	0.4
109.02839	2.7
112.14603	0.4
119.04936	0.4
121.02886	0.9
122.03616	0.9
123.00777	1.4
135.04416	1.3
136.01558	2.1
137.02335	22.6
138.03053	1.0
142.49513	0.5
147.00758	0.5
148.01573	0.7
148.35683	0.5
149.02359	2.3
150.03108	5.4
151.00273	4.6
151.03889	3.1
153.01765	0.6
153.05496	1.0
155.03363	0.7
159.52307	0.5
161.02327	1.2
162.03178	0.5
163.03914	0.9
164.01080	2.2
164.04729	1.5
165.01839	100.0
165.05487	5.5
166.02605	11.1
167.03409	1.0
171.63165	0.5
173.04480	1.2
175.03883	1.2
177.01855	1.6
178.02599	0.7
179.03403	21.3
179.06996	1.7
180.04195	51.8
181.04974	33.9
182.05273	0.7
187.03929	0.6
191.03642	0.9
191.05527	8.6
192.04221	1.5
192.05890	0.8
193.04953	0.8
194.05798	4.0
195.02930	2.4
195.06546	63.0
196.06926	1.7
205.05003	1.8
207.06512	2.1
209.08086	6.9
209.11780	0.7
210.05281	9.4
211.05956	1.0
220.07372	1.2
223.06131	1.0
225.07626	46.1
226.07970	2.0
226.40416	0.5
229.83374	0.5
235.09740	0.5
318.50800	0.5
372.12195	0.5
387.10339	0.9
387.14514	1.3
402.13177	0.7
403.14081	2.3
416.14719	1.5
417.15543	8.8
565.17664	0.9
581.19904	0.8
594.21118	2.9
595.21838	18.5
596.22296	2.1
625.22455	1.1
643.23907	3.5
644.23914	0.6
773.27856	4.1
774.27667	1.0
821.30664	0.7
848.38043	0.7
869.32379	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	867.4955
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98711	1.7
66.54552	1.5
66.83855	1.3
71.01252	17.9
71.50816	2.7
71.60574	1.6
72.99170	1.7
73.02830	2.8
74.08424	1.4
74.19693	1.3
77.91485	1.3
78.95768	13.8
80.96391	4.0
81.08582	1.7
83.01249	3.9
84.01399	1.4
85.02796	3.7
87.00742	6.2
89.02306	16.3
96.25024	1.4
97.02837	3.8
99.08066	1.7
101.02330	12.8
113.02318	7.3
118.21953	1.5
119.03372	2.4
121.12813	1.5
125.02331	7.2
127.11173	2.5
131.03406	1.5
143.03419	2.7
152.99500	3.3
161.04439	3.7
171.10176	100.0
172.10522	4.8
179.05531	3.2
186.70703	1.5
199.05870	1.6
209.11804	2.3
211.13359	4.1
212.13802	2.2
222.85463	1.5
229.14372	3.8
235.08080	6.8
255.23256	78.8
256.23602	10.4
287.07639	2.8
329.23300	8.2
330.23694	2.9
361.11984	1.6
379.12439	17.0
380.13040	1.9
397.13486	44.5
398.13855	2.2
415.14401	7.1
430.64645	1.5
551.23102	2.5
635.35962	3.5
653.37543	4.7
721.47070	3.3
722.46582	6.3
792.53906	5.6
793.54205	28.7
867.50220	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	867.3498
Annotation	Unknow
Peak:m/z	Relative Intensity
65.52216	0.9
67.01755	7.5
68.99679	11.5
69.03324	26.2
69.03703	1.9
71.01254	44.7
71.51022	0.9
71.68505	0.9
72.00791	0.9
72.01605	0.9
72.99166	5.3
73.02814	1.5
82.02878	1.0
83.01265	2.0
85.02831	9.4
87.00755	4.8
89.02313	68.9
90.02676	2.0
91.05383	0.9
93.03335	4.2
95.01276	3.4
95.04900	33.1
96.95906	0.9
98.03865	1.0
99.04388	1.4
101.02322	42.1
102.02646	1.1
106.95629	1.0
108.02079	1.4
109.02844	1.5
111.00766	17.0
111.04362	1.6
113.01550	1.4
113.02322	19.4
119.02665	0.7
119.03385	28.1
119.04803	5.0
121.02840	100.0
121.06489	2.5
122.03191	4.1
123.04403	20.1
127.03896	10.6
131.03371	4.1
133.02954	0.9
135.04402	2.3
137.02396	1.8
137.05991	2.9
139.00259	16.1
139.03868	2.4
140.63354	0.9
142.01361	2.1
143.03380	7.7
145.02856	1.0
147.04439	5.2
149.02344	5.8
149.04437	2.6
161.04462	10.0
163.03905	2.7
165.05484	17.9
173.04430	1.7
175.02362	1.2
177.05527	1.6
179.05545	68.0
179.07045	9.9
180.05879	2.2
181.04997	3.4
190.05023	1.1
191.03438	4.5
191.05539	9.7
209.04451	3.0
223.06067	42.8
224.06372	3.0
229.01389	5.7
241.07115	1.4
266.06714	1.6
284.07764	2.3
293.04279	1.8
295.06180	1.7
321.03998	1.4
333.08279	2.8
337.03128	1.2
339.05038	4.8
353.08633	1.0
371.05051	2.0
371.09808	45.2
372.10129	4.0
403.12421	64.5
404.12827	5.5
414.10208	1.9
432.11746	4.4
446.13062	1.4
463.21527	2.2
464.13849	2.8
513.10333	6.0
514.11029	1.2
705.16711	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	865.3498
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98703	4.7
62.08806	0.6
67.01730	0.8
69.03340	1.2
71.01249	4.7
73.02809	1.8
81.03312	2.2
83.01219	0.7
83.04901	0.9
85.02813	7.7
86.03136	0.6
87.00732	2.2
87.04382	3.1
88.98653	0.7
89.02295	1.5
93.03342	5.0
95.01250	2.8
96.95874	1.4
97.02819	1.6
101.02322	2.5
103.46541	0.6
108.02052	81.6
109.02840	29.8
109.03419	0.4
109.03611	0.8
110.03139	0.7
111.00730	0.8
111.04397	0.7
113.02308	1.8
119.04916	1.0
121.02869	1.3
122.03629	0.9
123.00743	1.6
123.04403	0.9
125.02295	1.2
131.59134	0.7
133.02814	1.2
134.03647	1.0
135.04399	2.4
135.08049	2.7
136.01569	0.9
136.05205	1.0
137.02310	1.5
137.09605	6.9
145.58287	0.6
149.02362	0.8
150.03145	1.3
151.03915	1.5
151.07515	0.8
152.01054	77.5
152.08409	0.7
153.01851	24.3
153.09241	0.7
154.02148	0.6
155.03398	1.1
155.10678	30.7
156.11044	1.8
161.02399	0.7
163.03902	2.8
163.11131	1.2
165.01924	1.0
165.05444	1.0
169.12280	1.9
173.04460	2.9
179.03378	0.9
179.10687	1.4
181.04939	0.7
181.08643	2.2
191.05537	20.9
191.10628	0.9
192.05908	1.4
195.06535	0.8
199.09698	9.2
205.12233	2.7
205.57179	0.7
207.10257	0.7
209.11755	2.6
210.12009	0.7
213.11264	1.4
225.03998	0.7
225.11331	0.8
229.45866	0.6
241.10791	2.5
283.11768	1.0
285.03958	0.8
394.97794	0.7
449.14432	1.3
567.27698	1.5
865.34991	100.0
866.35333	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	865.3138
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98704	0.6
69.03311	0.7
69.26552	2.4
71.01253	1.8
73.02828	0.7
78.95748	0.4
80.96393	0.2
85.02795	1.2
87.00741	0.7
87.04391	1.2
88.98685	1.0
89.02312	0.9
93.03329	2.5
95.01256	0.9
96.95885	0.3
97.02833	0.8
99.00737	0.3
99.92448	0.3
101.02350	1.4
113.02319	1.2
116.92741	5.4
117.01756	0.4
117.03362	0.9
117.92832	0.3
119.04914	100.0
120.05244	3.9
121.02827	1.8
122.03609	1.7
123.04415	0.8
125.02321	1.0
131.04907	0.3
132.05663	0.6
133.02815	0.4
133.06496	2.8
135.04419	1.0
137.02338	0.5
137.09599	1.0
139.07590	0.3
145.02855	2.9
149.02376	1.2
150.03130	10.5
151.03951	1.4
155.03368	0.6
155.10681	6.4
155.11989	0.4
159.04398	0.3
161.04491	0.9
161.05977	7.1
162.03160	0.4
163.03920	41.4
164.04248	1.5
165.05479	11.5
166.05861	0.2
169.12181	0.4
173.04448	0.7
175.17180	0.3
177.05492	0.3
179.03352	0.3
179.10689	0.3
181.08607	0.7
187.03853	0.6
187.21910	0.2
191.05534	4.5
192.05882	0.3
193.04948	0.6
195.06631	0.3
195.10156	0.3
199.09700	6.3
205.05005	12.5
206.05290	0.4
213.07674	0.7
213.11232	0.7
241.10829	2.6
253.10875	0.5
255.12369	0.5
283.11893	2.5
285.04031	0.3
314.04572	0.3
325.13089	0.8
329.06717	0.4
343.14005	5.9
344.14474	0.3
345.15387	0.3
354.41415	0.2
373.11429	1.1
385.15036	0.9
409.14938	0.3
449.14444	0.7
487.18103	2.2
487.83157	0.3
488.18549	0.3
507.18790	4.4
508.18912	0.4
534.19562	0.4
539.21472	0.4
549.19733	3.1
550.19794	0.4
557.22388	5.5
558.22852	0.7
591.20953	1.0
633.21777	0.3
651.23737	0.4
712.20679	0.3
851.66675	0.3
865.31348	8.5
866.31677	2.6
882.84283	0.3
885.18829	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	864.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01755	9.6
68.01275	5.5
68.99683	10.1
69.03325	10.3
71.01253	44.0
71.49706	1.6
71.51104	2.9
72.99195	4.6
73.02810	1.9
81.03280	1.7
82.02850	6.8
85.02822	18.5
87.00745	5.1
89.02320	44.8
93.03332	4.6
94.66802	1.5
95.01229	3.8
95.04898	49.4
101.02328	37.6
107.04903	6.2
108.04432	2.2
109.02811	2.3
111.00758	8.1
111.04408	3.2
113.02338	15.4
116.04987	1.9
116.57854	1.8
119.03388	16.5
119.04861	2.0
121.02836	24.4
123.04387	7.8
126.01846	1.8
126.05487	14.0
127.03921	14.1
131.03444	3.5
132.04456	1.9
132.08051	2.6
134.02370	39.7
134.06050	3.5
135.04401	8.3
139.00241	13.0
139.03896	5.2
140.03433	21.5
143.03401	4.3
146.06015	2.2
147.04350	3.5
149.04355	2.5
149.05998	4.1
152.03456	2.1
152.07045	1.8
160.03957	3.7
160.07526	5.7
161.04456	5.6
162.05597	2.8
165.01802	2.3
165.05469	7.4
169.01370	1.8
174.05446	2.0
176.07112	5.5
177.05502	7.5
178.04955	4.2
179.05553	21.3
179.07004	3.1
191.05527	4.5
204.06606	55.9
205.06844	3.7
206.04509	4.0
223.06065	9.9
236.09193	5.0
238.07253	4.3
241.07109	7.2
248.05627	20.1
280.08252	100.0
281.08661	4.6
339.30963	2.0
371.09888	9.1
403.12598	6.2
428.11929	57.6
429.11987	6.3
440.32571	1.9
460.08569	3.5
460.14615	46.7
461.15036	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	863.5005
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03319	1.0
71.01250	16.2
71.04877	0.2
72.91741	0.3
72.99188	1.6
72.99528	0.2
73.02804	2.8
75.00733	0.3
77.71040	0.3
78.66859	0.3
80.02534	1.3
81.03332	1.7
83.01257	1.9
83.04898	5.4
84.02030	1.0
85.02817	3.6
87.00738	4.1
89.02312	15.3
95.01255	1.5
95.04876	0.8
97.02812	2.6
99.00766	0.9
101.02319	12.4
101.02994	0.3
109.06444	0.5
111.00774	0.4
111.04395	0.6
113.02323	6.5
119.03397	3.6
119.33361	0.4
125.02327	6.6
125.05956	0.7
131.03407	0.5
133.04977	0.6
135.08057	0.5
139.03929	0.7
141.01855	0.3
143.03406	2.7
147.11702	0.3
149.04425	0.4
158.06635	0.3
161.04456	2.8
163.11192	3.7
165.12775	2.5
167.03300	0.3
179.05513	3.4
181.12286	0.7
185.04436	0.3
191.10692	0.8
199.06055	0.6
209.11761	100.0
210.12099	5.1
217.07135	0.9
221.06616	0.9
227.12837	12.7
228.13133	0.6
232.73962	0.3
235.08183	4.9
248.34627	0.3
251.12875	0.5
253.09392	0.4
255.23254	54.4
256.23605	3.5
259.08115	0.5
263.07654	0.5
269.24814	0.7
287.07678	1.7
305.08801	2.2
323.09799	0.9
379.12372	8.6
380.12817	0.5
397.13477	40.5
398.13785	2.7
415.14502	8.6
416.14780	0.7
589.25226	0.5
607.25818	0.7
635.36591	0.4
653.37128	1.4
654.37811	0.4
863.49530	0.8
874.20422	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
61.15012	0.2
63.02250	0.4
65.00190	0.4
69.46002	1.2
82.47299	0.2
83.01253	0.4
107.01250	1.2
117.03286	1.0
118.96407	0.1
121.02782	0.3
134.01506	0.2
148.01588	0.4
149.02322	0.8
149.99471	0.3
151.00258	1.5
152.27344	0.2
164.11977	0.2
169.01410	0.2
171.04405	0.4
172.05211	0.2
183.04396	0.2
196.05151	0.4
200.04778	0.3
201.05490	0.2
211.03889	0.6
212.04762	0.3
225.05481	0.3
225.90376	0.2
239.03471	1.7
240.04219	2.3
267.02948	0.9
268.03748	70.2
269.04465	27.7
270.04846	1.8
281.04495	0.2
283.06073	0.4
311.05621	1.2
341.06802	0.4
431.09793	100.0
432.10150	10.3
500.08829	0.2
846.32855	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5006
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03343	0.6
71.01253	11.9
72.99168	1.3
73.02830	1.9
75.00739	0.4
76.01913	0.3
78.95782	0.3
80.02544	1.1
81.03325	1.9
82.57439	0.2
83.01248	1.3
83.04894	5.0
84.02039	0.9
85.02818	3.3
87.00742	3.2
89.02317	11.4
95.01271	1.1
95.04916	0.8
97.02827	2.2
99.00755	0.6
101.02316	9.9
109.02818	0.3
109.06480	0.6
111.00736	0.4
111.04394	0.3
113.02331	5.5
119.03395	2.9
125.02335	5.0
125.05988	0.8
126.87021	0.2
131.03415	0.5
135.08089	0.5
139.03906	0.4
141.01877	0.4
143.03413	1.6
147.11722	0.3
149.04494	0.5
161.04475	2.9
163.11174	4.0
165.12775	2.5
167.03442	0.4
179.05531	3.8
181.04993	0.3
181.12267	0.5
191.10735	0.9
207.10211	1.0
208.10574	0.3
209.11766	100.0
210.12126	4.8
217.07120	0.8
221.06593	1.6
222.06726	0.3
225.11324	0.6
227.12833	10.6
227.72603	0.3
228.13145	0.6
235.08176	5.0
245.06444	0.3
251.12849	0.8
253.09224	0.6
255.23265	42.2
256.23590	3.1
259.08191	0.7
263.07776	0.4
269.25012	0.4
287.07751	1.5
305.08813	1.7
323.09894	1.1
379.12448	6.8
380.12567	0.6
397.13467	30.2
398.13821	2.4
399.13693	0.4
415.14578	7.3
416.14999	0.5
589.24878	0.7
607.25970	1.5
608.26367	0.3
653.37524	0.6
771.80664	0.3
863.49255	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	861.4849
Annotation	Unknow
Peak:m/z	Relative Intensity
64.23979	0.6
68.99675	1.0
69.03319	2.2
71.01251	30.3
72.99175	2.3
73.02825	5.1
80.02520	1.0
81.03324	3.2
82.25591	0.6
83.01261	3.6
83.04917	3.0
85.02820	7.4
87.00756	6.4
89.02318	22.1
93.03354	0.9
95.01265	2.1
95.04887	0.8
97.02834	12.8
99.00755	3.6
101.02319	18.9
107.95268	0.6
109.02864	1.1
109.06473	29.6
110.03609	1.3
111.00758	1.0
111.04406	1.4
113.02326	10.0
115.03867	0.8
119.03387	5.2
121.02890	0.8
121.06491	2.5
123.04399	0.8
125.02318	6.1
125.09598	0.9
131.03381	0.7
133.05078	0.9
135.08054	5.2
136.05226	1.7
139.03944	0.8
141.01828	1.6
142.02608	3.6
143.03380	3.4
159.19315	0.6
161.04494	3.9
161.09587	2.3
163.09827	1.0
163.11205	17.3
164.11516	1.7
165.20824	0.6
179.05516	4.9
179.10677	1.1
181.12285	4.6
189.09143	1.8
207.10196	100.0
208.10561	5.0
209.11795	2.3
217.07089	1.2
221.06564	2.2
225.11267	35.3
226.11546	2.9
235.08183	6.5
243.12335	1.9
253.09207	1.2
255.23260	74.7
256.23575	4.9
281.13831	1.0
287.07767	1.4
299.14978	0.8
305.08762	2.6
323.09793	1.5
331.78690	0.6
344.72665	0.6
375.26483	0.8
379.12399	9.1
380.12711	1.1
386.26999	0.6
397.13483	53.1
398.13840	3.3
415.14523	11.1
416.14581	0.9
458.57053	0.6
515.14227	0.7
550.98480	0.6
587.22778	1.3
605.24353	4.7
623.25751	2.9
644.84460	0.6
653.37451	3.2
653.58014	0.6
843.47760	1.9
861.48480	54.0
862.48932	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	861.485
Annotation	Unknow
Peak:m/z	Relative Intensity
61.29115	0.3
61.98700	1.5
67.93639	0.3
69.03327	2.1
69.03642	0.3
69.06271	0.3
69.50610	0.6
69.51015	1.6
71.01253	24.0
71.04881	0.4
72.01611	0.3
72.99169	1.6
73.02819	3.5
75.00746	0.7
80.02558	1.3
81.03335	3.7
83.01267	2.0
83.04900	3.1
84.02056	0.4
85.02819	6.0
87.00747	5.4
89.02318	17.6
91.03889	0.4
93.03313	1.0
95.01283	1.9
95.04888	0.8
97.02827	11.4
97.06491	0.3
99.00761	4.8
101.02322	15.2
102.02673	0.4
106.04099	0.6
107.04906	1.2
109.02855	0.6
109.06475	35.2
110.03595	1.5
110.06817	1.2
111.00760	1.0
111.04417	0.7
112.69617	0.4
113.02328	9.2
115.03899	0.4
119.03391	5.1
121.02789	0.3
121.06501	2.4
123.00764	0.4
123.04415	1.1
124.01471	0.4
125.02337	7.0
125.09616	1.1
131.03342	0.8
133.06448	0.4
135.08055	4.4
136.05177	1.7
137.02303	0.4
139.03935	0.6
141.01865	1.9
142.02621	2.8
143.03391	2.5
149.04471	0.5
157.47171	0.3
161.04440	4.2
161.09636	2.2
163.11195	20.7
164.11525	0.8
165.09177	0.5
171.07977	0.4
179.05540	5.1
179.10680	1.0
181.12257	5.6
182.12585	0.4
189.09117	2.4
197.11771	0.3
199.05807	0.4
207.10201	100.0
208.10541	6.0
209.11789	2.3
217.07152	0.6
221.06592	3.2
221.11732	0.6
225.11272	46.9
226.11606	2.7
231.80925	0.3
235.08177	5.9
243.12328	3.9
245.06436	0.3
249.11369	0.7
253.09215	0.9
255.23260	58.3
256.23633	4.6
263.07715	0.8
269.24786	0.5
281.13895	1.1
287.07745	1.5
299.15015	2.0
305.08682	2.0
323.09818	0.8
379.12399	7.1
380.13034	0.7
397.13467	35.8
398.13904	2.7
415.14539	10.4
416.15036	0.7
419.35269	1.0
443.19162	0.6
461.20276	0.7
540.65179	0.5
587.23407	1.6
588.24194	0.5
605.24432	7.2
606.24829	1.4
623.25397	7.6
624.25940	1.3
635.36511	1.0
639.02637	0.3
653.37695	1.1
771.63928	0.4
843.47607	1.2
861.48456	50.9
862.48883	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	861.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99174	4.7
61.98712	1.2
67.01761	13.1
69.03321	4.0
69.27338	6.3
69.90009	0.6
71.01255	6.5
71.11846	0.6
72.99178	1.2
73.02813	1.9
74.22616	0.6
78.95770	1.2
81.03332	3.4
83.04893	2.4
85.02816	2.5
87.00751	16.7
89.02324	1.3
93.03333	91.0
94.03674	2.7
95.01279	0.9
95.04935	0.6
96.95927	0.9
97.02838	1.1
99.00771	1.9
99.04378	1.5
99.92462	1.7
101.02316	2.3
105.03329	0.9
109.02844	1.7
111.04398	12.5
113.02325	2.6
115.61925	0.7
116.92742	12.2
117.01803	1.9
129.01834	2.5
133.02872	3.2
134.03636	6.7
135.04411	5.3
137.02364	1.4
137.67474	0.6
143.03418	0.9
147.04506	0.7
148.05206	47.0
149.02296	1.0
149.05554	2.0
150.03131	1.6
151.03873	0.6
155.03407	2.8
161.02367	0.7
162.03128	4.0
163.07555	49.6
164.07906	1.5
165.01799	0.7
165.05431	1.1
173.04469	39.5
174.04832	1.1
177.01855	4.0
179.03447	2.0
181.05028	0.6
191.05533	15.7
195.06519	1.3
231.10149	3.7
275.09271	7.5
351.07056	1.7
356.53641	0.7
449.14496	100.0
450.14832	13.4
505.26633	0.7
629.27997	0.7
861.29730	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99171	0.2
67.01762	0.4
67.80502	0.1
69.03310	0.3
69.20009	0.1
69.75429	0.6
71.01254	0.8
71.82845	0.1
73.02829	0.3
73.29275	0.1
81.03339	0.2
83.04897	0.3
85.02820	6.7
86.03142	0.1
87.00745	1.8
93.03336	4.5
99.04392	0.2
101.02309	0.2
109.02832	0.7
111.00813	0.1
111.04380	1.0
127.03896	2.2
127.50993	0.1
133.02826	1.3
134.03616	0.2
135.04413	8.0
136.04723	0.3
137.02316	0.2
152.42006	0.1
155.03372	0.2
155.10669	0.4
161.02339	4.8
171.02887	0.6
173.04466	1.6
179.03416	5.8
180.03743	0.2
191.05534	100.0
192.05876	3.7
195.64087	0.1
233.06412	0.1
285.04138	0.2
292.43332	0.1
323.07703	0.2
326.89081	0.1
351.02710	0.1
353.08743	11.3
354.09055	0.9
381.76926	0.2
395.09769	2.0
396.10129	0.1
447.09100	0.1
523.17200	0.2
596.80249	0.1
697.23456	22.5
698.23816	3.9
739.24438	0.7
854.91785	0.2
859.28693	2.8
860.29095	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01760	1.7
69.03307	0.6
69.47202	4.4
69.47549	0.8
70.79662	0.5
71.01241	0.6
80.21587	0.6
85.02826	3.8
87.00762	2.7
93.03329	10.5
108.66306	0.7
111.04370	1.4
121.62941	0.5
127.03889	1.4
135.04401	5.8
161.02321	4.3
173.04506	4.1
179.03416	7.6
191.05533	100.0
192.05904	3.6
245.46619	0.5
257.40015	0.6
323.07715	0.9
323.68143	0.6
353.08710	9.1
354.08984	0.7
515.14044	37.5
516.14508	4.4
659.76752	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.4535
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98704	1.6
65.56420	0.4
69.03332	1.1
70.03930	0.4
71.01254	16.5
71.50387	0.7
72.99168	1.2
73.02821	2.1
78.95775	0.7
80.02557	1.3
81.03337	2.5
83.01260	1.6
83.04900	5.5
84.02032	1.1
85.02819	3.4
87.00752	4.4
88.68147	0.5
89.02320	12.4
95.01260	1.5
95.04904	0.6
96.95895	0.7
97.02842	3.1
98.69135	0.5
99.00777	1.3
101.02322	12.3
109.06493	0.6
111.04401	0.6
113.02321	8.2
116.92699	0.8
119.03380	3.8
125.02336	5.6
131.40198	0.5
135.04443	0.5
135.08031	0.7
139.03828	0.6
141.01892	0.5
143.03412	1.7
145.05003	0.6
149.04494	0.5
152.99557	0.5
161.04446	2.9
163.11185	3.9
164.11568	0.5
165.12729	2.5
175.85986	0.5
179.05559	2.6
181.12305	1.0
191.05582	2.5
191.10713	1.1
199.09618	0.8
201.11198	0.6
205.19431	0.5
209.11771	100.0
210.12117	5.7
217.07043	0.7
221.06691	1.2
227.12848	12.4
228.13257	0.8
235.08125	4.4
249.18579	46.9
250.18913	4.2
253.09410	0.9
263.07709	0.5
287.07797	1.8
305.08774	1.8
323.09760	0.9
379.12415	5.8
380.12576	0.7
397.13486	37.5
398.13760	2.9
415.14490	9.3
438.10214	0.6
838.90466	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
60.48755	1.0
67.01761	5.7
68.99684	47.6
69.03326	4.6
69.17212	10.2
71.01250	15.9
72.99182	1.5
73.02819	18.4
73.03204	2.1
73.98656	0.9
75.00748	1.1
79.05405	1.3
81.03344	3.5
83.01244	2.4
83.04899	2.5
85.02828	3.5
87.00768	1.8
89.02325	13.6
91.05402	2.5
93.03338	4.7
95.01254	2.3
95.04899	10.5
97.02827	2.0
97.06457	3.1
98.19649	1.2
99.00735	1.2
99.04406	1.6
101.02320	100.0
102.02666	2.2
107.04906	25.6
108.02055	3.6
109.02829	6.8
111.00789	5.4
111.04396	3.8
113.02328	5.3
119.03369	4.8
121.02840	8.5
123.04399	17.2
125.02327	3.0
125.05970	2.9
127.00246	1.7
127.03908	7.1
133.02859	5.3
135.04407	45.0
136.01578	1.5
136.04784	1.4
137.02322	4.7
137.06012	1.9
139.00253	3.8
139.03880	1.3
141.01855	3.7
149.02376	1.0
150.03099	2.8
151.03917	35.2
153.01840	12.0
153.05457	5.2
155.03397	1.1
165.01909	1.0
165.05490	15.9
166.05864	1.1
167.03398	1.4
169.04967	3.9
177.01826	2.1
179.03459	4.5
179.05559	3.6
179.07019	1.4
183.06519	1.2
191.05519	4.7
193.05016	4.1
195.02988	1.3
195.06595	1.2
197.04431	2.3
209.04482	1.1
211.06056	57.0
212.06371	3.1
217.41267	1.0
223.02428	2.0
223.06017	1.3
255.05078	11.1
257.06381	1.4
369.48212	1.0
371.09927	2.1
371.58517	1.0
377.10785	2.4
403.12689	1.6
419.12067	1.7
437.12866	2.8
439.19449	1.0
453.12909	1.4
609.98224	1.2
763.33722	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.4395
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98697	9.4
63.99839	1.2
69.03316	2.4
71.01248	27.7
71.50761	1.4
72.99177	2.6
73.02807	3.1
78.95775	4.7
80.02554	1.4
81.03339	2.5
83.01224	1.3
83.04902	2.7
85.02824	8.8
86.24741	1.4
86.86842	1.2
87.00742	6.7
89.02312	17.6
93.03316	5.4
95.01247	1.7
96.95888	2.0
97.02814	11.9
99.00751	4.2
101.02312	16.8
107.04897	1.5
109.02818	2.0
109.06464	25.8
113.02323	12.1
116.78871	1.4
119.03383	5.7
125.02324	8.0
133.02794	1.6
135.04390	5.4
135.08041	5.2
136.05135	2.5
143.03333	1.4
152.99452	2.5
161.02434	1.5
161.04465	5.5
161.09642	1.9
163.11195	15.9
173.04468	1.8
179.05522	3.7
179.07056	2.5
180.30365	1.3
181.12245	4.5
189.09134	2.5
191.05533	24.0
192.05887	2.1
207.10199	100.0
208.10512	5.5
209.11818	1.9
221.06548	2.6
225.11253	27.9
226.11659	1.6
235.08110	6.8
243.12476	1.6
249.18573	63.0
250.18896	3.8
253.09273	1.9
287.07587	1.9
299.14883	1.5
305.08783	2.3
351.07236	1.3
371.14938	1.9
379.12479	4.0
397.13467	53.6
398.13718	5.4
415.14639	15.7
416.14978	1.6
437.63889	1.4
605.24896	6.0
623.25519	4.9
663.35162	2.5
837.41913	2.2
855.43713	52.4
856.43616	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	853.3643
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98695	2.0
63.02267	1.5
65.00196	1.7
71.50614	1.2
72.90315	0.7
77.75316	0.6
78.95760	1.2
83.01229	0.7
107.01268	3.5
121.02841	1.2
124.48470	0.7
125.02344	0.8
133.02820	6.3
142.06174	0.6
149.02362	1.9
151.00273	5.1
171.10164	1.0
175.03905	3.7
185.05991	1.2
187.03920	0.9
191.05511	2.1
197.11745	1.6
199.03911	2.5
201.01903	0.9
212.04501	0.8
213.05522	1.0
217.05028	1.3
227.03442	1.8
235.64357	0.8
241.05061	1.4
243.02882	1.2
253.09258	1.9
255.02817	1.2
256.03729	3.7
257.04550	0.9
283.02487	1.2
284.03250	62.2
285.04010	100.0
286.04382	6.5
293.21252	2.6
307.18997	0.9
309.03934	0.9
341.23267	2.6
464.72464	0.7
619.80353	0.7
707.30402	0.9
853.36450	71.3
854.36823	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	855.33
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98690	6.8
70.97839	3.4
71.01260	8.3
71.51331	7.0
83.04884	3.4
85.02824	10.1
87.00733	14.2
89.02303	5.6
93.03316	15.8
101.02296	5.9
108.04421	5.0
121.05162	6.2
122.06034	21.9
127.03905	3.5
134.06013	30.5
135.04373	4.6
136.07552	10.9
138.05565	5.0
140.07063	36.1
146.05980	5.6
149.04727	8.2
150.05478	7.7
150.72224	3.5
152.07069	5.1
162.05533	31.2
164.03458	9.4
164.07060	15.4
166.04953	6.1
167.05840	5.0
173.04453	7.4
179.03464	7.1
191.05530	79.9
191.07170	7.1
194.98061	3.2
204.06548	6.7
211.08838	5.3
212.05801	14.7
217.97899	3.6
225.06630	6.7
225.10243	7.3
229.09804	8.8
237.07973	3.9
237.10297	9.1
238.07307	3.6
239.08192	17.1
241.09825	4.4
251.08240	7.4
252.08873	7.6
252.12633	7.6
253.06183	18.2
253.09851	25.4
255.11282	7.9
257.09225	11.0
261.12396	10.5
265.06119	5.3
266.06906	10.5
266.09644	4.1
267.07785	22.9
267.11304	15.7
268.08502	13.5
268.12177	5.5
269.13019	4.5
273.12491	6.9
279.07715	16.2
279.11514	3.3
280.08533	37.4
281.09335	25.9
283.11023	6.7
284.03305	10.5
285.04044	14.7
285.12473	19.7
286.03793	4.2
295.10901	100.0
296.11569	24.2
297.12427	24.0
299.10486	7.4
300.10864	4.2
301.11902	4.2
303.13510	87.9
304.13702	7.1
321.14255	4.9
322.09647	4.8
327.13440	20.1
328.10266	5.5
339.09888	30.5
340.10764	5.1
341.11462	8.0
353.11292	5.0
371.12469	27.5
372.13129	4.9
373.13806	7.9
404.16077	5.9
447.09387	16.3
448.10086	4.2
463.17166	5.1
465.18707	15.8
483.19675	8.9
492.87970	4.9
501.14908	5.7
533.17572	4.8
557.23920	5.9
601.23114	33.6
602.22705	5.9
633.25848	28.6
634.26569	5.1
643.24170	15.9
648.99811	4.3
657.26453	4.8
661.24988	9.3
675.26587	16.0
693.27625	9.6
761.30322	8.8
795.31451	8.6
805.29449	65.1
806.29749	11.4
823.30249	83.0
824.30756	24.1
837.32147	32.0
838.31573	10.0
855.33099	32.2
856.31567	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	849.3759
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	17.0
61.98690	2.3
63.91963	0.7
67.01778	1.4
67.30486	0.7
68.99668	0.8
69.03336	4.9
70.20197	0.9
70.94367	0.7
71.01251	20.2
71.04890	1.8
72.99170	2.4
73.02824	4.2
78.95792	1.3
80.02524	1.3
81.03323	2.9
83.01250	3.2
83.04902	5.9
84.02023	0.9
85.02822	6.0
87.00743	4.5
88.98661	1.3
89.02319	9.7
93.03333	6.7
95.01259	1.3
95.04829	0.9
95.78857	0.9
97.02817	2.1
97.06434	0.8
98.20203	4.7
99.00762	1.4
101.02315	10.8
105.39979	0.8
111.00748	0.9
111.04406	1.1
111.46811	0.8
113.02325	5.5
114.79664	0.9
116.92735	0.9
118.45301	0.8
119.03381	3.0
121.02843	1.3
123.04372	1.6
123.08030	1.9
125.02324	2.3
125.09573	2.7
127.03925	1.1
134.03572	1.1
135.04395	2.2
137.02333	2.7
137.08150	0.9
137.09639	1.0
143.03358	0.9
149.02350	0.8
150.03117	1.8
151.03870	0.7
151.11162	2.2
153.12730	1.8
155.03392	1.6
161.04398	1.9
161.09633	3.2
162.24600	0.7
163.11142	3.5
165.05482	1.9
165.12791	2.0
166.02657	0.7
171.10185	1.6
173.04440	2.6
175.02316	0.9
177.99359	0.7
179.03421	1.0
179.05524	1.4
179.10674	7.3
191.05528	24.2
192.05902	1.8
195.06612	1.6
197.11758	58.1
198.12123	2.4
207.10133	2.1
209.11755	47.9
210.12024	2.9
221.06653	1.5
223.09688	2.6
225.11258	2.1
227.12875	3.6
241.10788	4.7
254.14896	0.8
285.03885	2.4
329.15964	0.8
347.17084	2.7
397.13367	3.9
415.14301	1.2
449.14688	1.6
535.47241	0.8
639.25238	1.1
831.37305	1.3
848.51239	1.1
849.37506	100.0
849.50372	4.8
850.38062	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	846.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	25.4
67.01758	26.4
68.01288	35.6
68.99680	19.1
69.03329	13.8
70.26560	5.2
70.50548	1.5
71.01253	24.1
72.99180	4.0
73.02817	1.8
85.02827	6.3
87.00748	10.0
89.02322	20.7
92.01298	4.9
93.03358	2.9
94.02846	2.0
95.01280	4.3
95.04900	100.0
96.05249	2.3
97.02843	1.6
98.02356	30.5
99.00729	3.6
101.02319	52.9
105.33925	1.4
107.04899	1.6
108.04443	3.8
109.02827	2.5
110.02348	14.7
111.00764	20.1
111.04378	2.5
113.02344	9.2
117.01823	4.2
119.03376	8.3
119.04893	3.0
120.26446	1.5
121.02841	43.2
121.06495	2.9
122.02350	3.1
123.04397	13.9
124.03927	6.0
125.02341	3.1
127.03898	71.6
128.03412	6.4
128.04265	3.2
131.03366	2.2
135.04433	3.0
137.05963	3.2
139.00270	42.4
139.03923	15.3
140.03450	5.5
143.03378	2.3
147.04410	3.7
149.02348	3.6
149.05930	2.2
158.04541	8.4
158.05736	1.9
159.04468	1.4
160.03949	8.3
161.04431	4.1
162.34451	1.7
163.03947	2.4
164.66576	1.4
165.01920	1.6
165.05478	64.8
171.02850	1.8
177.04024	1.8
179.05591	9.1
179.07014	2.8
181.05045	2.2
182.04460	2.5
186.05525	2.7
191.03642	1.5
191.05525	6.3
192.02940	3.4
200.05551	2.8
202.05135	1.7
209.04463	8.3
218.06526	4.5
218.08307	15.5
223.06047	13.3
230.04649	2.5
236.09268	1.5
241.07137	46.9
242.07483	2.1
262.07288	9.0
264.08759	1.8
286.33817	1.7
347.00333	1.6
371.09790	12.3
372.10086	1.9
389.10962	1.9
390.47452	1.6
392.09781	2.7
403.12451	6.3
410.10803	14.3
424.12863	3.6
442.13553	33.8
443.13687	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	845.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	74.3
60.97401	100.0
65.03836	2.0
67.01769	1.9
68.99318	1.5
68.99687	27.1
69.03334	10.9
69.62989	4.1
69.63396	2.4
71.01252	49.2
71.40588	0.9
72.99174	5.5
73.01023	4.7
73.02796	2.5
73.50619	0.9
78.95750	1.7
81.03292	0.9
82.99469	1.3
83.01267	2.7
85.02822	12.7
85.54533	1.0
87.00751	3.3
89.02320	42.5
93.03336	8.4
93.08548	0.9
94.09334	1.0
95.01268	4.4
96.95875	7.4
96.96822	1.4
97.01060	2.1
97.02825	2.8
98.20591	1.3
99.00756	2.4
101.00554	11.4
101.02323	66.7
101.25866	1.2
107.04892	1.5
108.02051	1.2
113.00545	2.4
113.02329	18.6
119.03390	16.4
119.04840	1.6
121.02818	4.9
121.06489	1.1
123.02614	1.1
123.04430	4.6
123.99773	2.7
125.00580	5.0
126.98491	1.2
127.03878	4.9
131.03387	2.0
135.02667	1.8
135.04404	2.0
135.99789	3.8
137.00491	1.2
137.04207	1.5
143.03384	2.8
143.04926	1.3
147.02596	1.5
147.04489	1.6
149.02350	8.1
149.04366	1.2
149.06004	5.2
150.01364	1.1
150.03088	1.1
151.02144	1.2
151.03870	3.4
151.99257	1.8
153.00050	13.8
153.03699	1.2
153.05461	4.2
161.04437	3.3
161.05925	2.2
163.02126	3.5
163.03922	1.2
165.01732	1.3
165.02213	1.3
165.03714	18.1
165.05220	1.6
167.01636	37.4
168.02048	1.0
171.04428	2.3
173.04478	2.4
173.05913	1.0
175.03917	1.4
175.07750	1.0
177.03706	2.5
179.01665	1.7
179.03320	2.1
179.05544	11.0
181.04979	2.0
183.54231	0.9
184.01920	3.7
185.02658	2.8
189.05501	1.8
191.05525	11.2
193.04947	7.6
195.01190	2.2
195.04779	1.1
205.03192	6.2
207.01195	1.6
209.02687	5.6
212.01569	1.2
221.08148	2.7
237.05833	13.0
265.05408	2.6
268.03708	1.6
283.06528	6.4
291.03299	1.8
318.19629	1.1
355.10406	6.8
361.07547	2.2
373.11368	3.0
384.42053	1.0
385.09595	2.2
417.12234	33.9
418.12421	3.5
431.09805	2.3
444.10483	1.2
445.11746	19.0
451.64050	1.2
457.13293	4.0
458.14328	1.1
489.10764	3.5
523.12463	1.5
541.13708	8.7
569.13489	3.3
593.16840	3.1
611.17731	1.3
613.12970	1.5
773.23248	3.2
801.22723	1.6
817.23334	1.2
845.21765	44.5
846.22107	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	841.3289
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	0.9
61.98700	5.3
67.01755	1.5
69.32269	1.5
69.32678	3.9
71.01252	1.4
78.95770	0.6
85.02840	0.7
85.12035	0.5
86.31441	0.6
87.00744	0.6
93.03338	4.9
96.95931	1.0
98.59919	0.5
101.02316	0.7
108.02033	0.8
109.02859	1.6
113.02394	0.5
121.02853	5.3
122.03630	11.3
123.04388	1.0
124.01479	0.8
133.01321	0.7
133.02875	1.2
134.03603	0.7
135.04416	1.6
136.01558	4.6
137.02342	14.0
138.03148	1.0
139.03893	1.0
142.34775	0.5
145.02864	1.0
147.04404	1.4
149.02342	17.1
149.05998	0.7
150.03125	80.3
151.00290	1.3
151.03929	9.3
153.01825	0.8
153.05461	0.7
161.02327	1.2
161.05974	0.7
162.03081	1.1
163.03915	1.9
164.01047	1.1
164.04713	4.2
165.01842	66.5
165.05475	79.4
166.02527	3.4
166.05835	3.7
168.04201	1.5
173.04497	1.5
174.03125	0.9
175.03896	3.3
176.01123	0.7
176.04726	1.2
177.01784	0.9
177.05440	1.9
179.03400	13.2
179.06975	2.9
180.04196	45.9
181.04967	8.4
188.04680	1.2
189.05513	2.0
190.06294	4.3
191.03510	1.5
191.05527	8.0
191.07080	2.2
192.04216	1.3
193.04948	3.0
194.05759	6.9
195.06552	100.0
196.06895	5.0
203.06911	0.7
205.04881	0.7
205.08672	4.3
207.06586	3.6
208.07318	1.5
209.08112	2.5
210.05235	8.5
223.06044	1.6
225.07629	39.5
226.08020	2.8
285.11542	0.9
313.07178	0.8
313.10901	0.7
314.07999	0.6
328.09479	1.0
329.10306	2.2
341.10303	3.0
342.10663	0.8
344.12711	3.4
345.13068	1.2
356.12537	1.0
357.13318	1.2
359.14944	11.8
360.15262	1.5
371.14847	3.7
373.12924	1.5
374.13486	0.8
389.16058	13.9
390.16217	1.0
403.14066	4.4
404.14261	0.8
419.16983	1.2
451.15964	1.1
537.21094	1.3
550.64960	0.6
567.22522	5.9
568.22449	0.9
585.23621	3.3
597.23419	11.0
598.23773	2.4
615.24457	2.9
627.24463	0.8
643.23578	1.1
645.25293	3.5
745.29028	0.9
793.30890	2.9
794.31580	1.0
824.29706	0.7
841.32025	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	840.5026
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	1.6
61.98689	0.5
69.03320	0.3
71.01224	0.3
71.04890	2.1
71.22061	0.7
75.33730	0.3
78.95785	1.4
80.02543	0.9
81.03329	1.5
83.04888	1.0
85.02787	0.3
93.03336	0.8
95.04890	1.6
96.95896	0.6
97.06490	0.4
98.03620	0.9
106.04130	0.4
107.04900	0.5
109.02815	0.6
109.06475	8.7
111.04396	4.3
111.08031	0.9
112.05208	0.4
113.09607	1.0
120.05664	0.4
121.96156	0.3
123.04416	0.4
123.08043	1.2
127.07556	1.7
133.02861	0.3
135.04378	1.0
135.08037	0.6
137.05986	0.4
137.09610	0.9
141.09142	0.4
143.10663	1.3
143.91298	0.3
145.06487	1.5
149.06006	0.5
149.09627	1.0
151.11212	0.6
152.99405	0.6
159.07982	0.3
163.11269	0.4
167.10689	2.4
168.04185	0.4
173.04477	0.6
177.12732	0.9
179.03387	0.3
179.10706	1.0
181.12245	0.4
189.88524	0.2
191.05522	3.0
191.14284	0.9
195.13869	1.9
209.11809	0.3
235.13371	1.0
241.04298	0.3
242.07950	0.4
243.17528	0.4
245.19090	4.2
251.16389	0.9
271.16983	1.0
287.16406	1.6
289.18091	100.0
290.18451	9.7
293.21216	6.9
294.21591	0.8
307.19168	15.2
307.22574	1.0
308.19568	1.7
518.28809	4.6
519.29126	0.5
532.30347	0.9
664.45502	0.3
716.36713	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.3291
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	0.8
61.98706	19.2
64.13107	0.4
67.01768	1.5
69.03336	0.5
71.01266	0.5
71.02798	0.7
73.18506	0.3
76.09402	0.4
85.02823	0.9
87.00760	0.3
93.03329	4.9
95.01285	0.5
95.04905	0.5
96.95903	1.7
97.02841	0.4
101.02347	0.5
105.03334	0.5
107.04913	0.8
108.02119	1.0
109.02834	2.9
117.76109	0.4
121.02847	5.7
122.03632	11.9
122.59370	0.3
123.00772	1.3
123.04426	1.1
124.01539	1.1
125.02372	0.4
132.02078	0.9
133.02855	1.8
134.03641	2.2
135.04417	1.8
136.01563	10.2
137.02357	21.2
137.05913	0.4
138.03069	1.4
139.03917	1.2
145.02896	1.9
146.03632	1.8
147.00786	1.1
147.04408	1.5
148.01555	1.1
149.02357	23.2
149.05965	1.9
150.03139	75.9
151.00314	2.9
151.03931	25.8
152.01009	0.6
152.04482	0.6
153.01862	0.9
153.05498	0.9
159.04326	0.6
161.02342	1.9
161.06012	0.7
162.03162	2.7
163.03937	2.9
164.01085	2.8
164.04723	6.0
165.01851	100.0
165.05489	57.7
166.02597	7.8
166.05765	2.4
167.03384	1.0
168.04179	1.3
173.02394	0.5
173.04494	0.8
174.03189	0.8
175.03923	3.6
176.04683	1.9
177.01852	1.3
177.05493	4.3
178.02626	1.2
179.01837	0.8
179.03435	21.0
179.07037	6.6
180.04205	52.3
181.04991	27.9
182.05330	1.1
188.04715	1.7
189.05557	2.2
190.06261	4.3
191.03444	1.7
191.05528	6.1
191.07100	3.6
192.04199	2.1
192.05861	0.9
193.04912	2.9
194.05800	8.0
195.02992	2.3
195.06566	78.0
196.06888	4.1
203.07050	1.1
205.05005	0.5
205.08694	3.6
206.05847	0.9
207.06613	5.2
208.07367	2.3
209.08096	5.0
210.03392	0.6
210.05296	8.6
211.05891	0.8
221.08162	0.9
222.08838	0.6
223.06134	0.6
223.09683	0.5
225.07648	36.2
226.08035	1.9
251.09225	1.1
254.59206	0.4
297.11313	0.4
312.10049	0.5
313.10910	0.7
314.07990	0.5
327.08743	0.7
328.09186	0.4
329.09839	0.6
341.10269	0.9
342.11069	0.7
343.11758	0.8
344.12479	1.0
349.60880	0.4
358.13797	0.4
359.14810	1.0
371.14529	0.9
373.12894	1.4
374.13593	0.9
375.14447	1.7
387.14465	0.8
388.15240	1.4
389.16104	15.0
390.16534	0.9
403.13861	1.7
418.16507	0.7
419.17160	1.9
445.51797	0.4
451.16315	0.5
477.15796	0.5
536.20618	0.6
537.21521	7.3
538.21924	0.6
566.21564	1.4
567.22363	12.3
568.22607	1.4
579.31390	0.5
583.21631	0.4
585.23505	4.5
586.23584	0.8
595.21527	0.8
596.22430	1.2
597.23492	9.8
598.23639	1.2
609.23425	0.5
613.22943	0.9
614.23584	1.1
615.24414	5.1
616.24835	0.9
621.23401	0.6
627.24622	0.7
644.24463	1.3
645.25604	2.4
646.25470	0.5
715.27753	0.6
745.28650	8.9
746.28723	1.5
775.30469	2.1
776.30402	0.5
793.30969	4.5
794.31079	0.6
823.31329	1.1
841.32886	3.7
842.33014	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.3139
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	3.4
59.89071	1.0
60.00448	1.0
61.98701	69.0
67.01771	2.1
68.99371	0.9
68.99683	5.8
71.01252	3.2
75.00721	1.1
75.65383	0.9
78.95786	1.8
85.02825	3.5
87.00764	2.8
89.02322	1.9
93.03318	9.6
94.13741	1.0
95.01305	1.9
101.02350	1.2
105.03305	1.0
108.02051	2.1
109.02866	5.7
110.03129	1.1
111.04417	1.5
121.02865	7.7
122.03632	12.3
123.00744	6.0
123.04350	3.1
124.01603	3.1
125.02341	4.9
132.02101	1.7
133.02829	2.6
134.03613	3.2
135.04411	18.3
136.01544	8.0
136.04767	5.6
137.02347	26.2
137.04916	1.3
138.03181	7.8
139.00224	1.2
139.03918	2.4
141.64447	1.0
146.03586	1.5
147.00740	1.8
149.02339	27.0
150.03128	88.6
151.00270	7.5
151.03931	25.0
152.04407	1.6
153.01852	4.3
153.05476	14.1
155.03404	2.0
161.02417	2.0
161.05995	2.0
162.03110	3.1
163.03885	3.5
164.01079	2.8
164.04716	5.6
165.01842	96.1
165.05479	76.8
166.02617	12.9
166.05875	3.1
167.03336	2.6
168.04199	10.8
173.04456	2.3
175.00313	3.2
175.03870	2.1
176.01039	12.5
176.04591	1.2
177.01842	10.5
177.05484	3.0
178.02618	6.3
179.03433	22.5
179.07014	9.4
180.04190	57.2
181.04979	30.6
182.05383	1.6
184.03639	1.1
187.03941	2.0
189.78815	1.1
190.02620	1.3
190.28812	1.0
191.03471	9.6
191.05537	25.8
191.07065	1.2
192.04207	14.3
192.05885	2.9
193.01392	6.7
193.04797	6.4
194.05751	4.3
195.06551	100.0
196.06902	4.6
205.04965	3.3
207.06567	20.0
208.03729	10.4
209.04277	1.5
209.08093	5.9
209.11852	2.1
210.05249	8.5
210.08453	1.2
211.05766	1.4
219.06554	2.2
220.07269	1.7
223.06075	26.1
224.06586	2.1
225.07642	38.4
226.07977	2.4
257.08136	1.3
308.08948	3.1
309.09442	1.5
321.07635	1.3
322.08105	1.5
325.07275	1.6
329.10370	1.3
339.08078	1.8
341.09766	1.6
352.07983	4.1
353.08536	2.7
354.08481	1.5
355.11829	2.3
356.12366	2.4
357.13177	1.9
367.11786	3.2
368.12106	2.8
369.12793	2.5
377.12823	1.0
387.10065	1.2
387.14828	5.4
388.11115	1.7
389.16064	1.2
403.13940	2.9
416.14893	1.6
417.15497	14.5
449.14444	2.2
450.14981	1.1
461.47354	1.2
551.09595	1.2
564.20892	1.4
565.20721	17.3
566.21149	1.7
594.21106	3.1
595.21863	15.2
596.22504	2.8
613.22729	4.8
614.23401	1.8
641.22693	2.0
642.22858	2.1
643.23987	6.5
743.26984	9.0
744.27484	3.0
773.27795	2.9
791.28876	3.5
806.28857	1.2
809.30280	2.8
821.30682	3.0
839.31165	18.2
840.31433	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	837.3182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	40.3
61.98700	21.3
66.76831	1.1
67.01753	2.3
68.99676	0.9
69.03323	1.6
71.01241	3.1
71.51260	0.9
71.51641	1.6
85.02825	8.3
87.00736	4.9
88.98666	2.1
89.02308	2.6
93.03333	12.1
97.02805	1.2
99.04382	1.0
101.02314	3.4
109.02828	1.6
111.04371	2.1
116.92600	1.0
123.00780	1.4
127.03895	2.3
135.04385	1.9
136.01503	1.4
137.02341	11.5
150.03058	1.5
151.03841	2.5
155.03406	1.3
157.92802	1.0
160.01561	1.3
161.02322	1.0
163.03857	1.8
164.01057	3.0
164.04939	1.0
165.01840	100.0
166.02142	4.6
173.04477	4.8
179.01862	1.3
179.03423	30.0
180.04192	61.0
181.04607	3.8
187.07582	6.4
191.05542	77.2
192.05841	3.6
194.05736	6.0
195.02888	3.9
195.06554	78.3
196.06860	6.1
210.05269	14.2
213.09091	1.2
215.07086	2.6
225.07642	64.6
226.07973	3.9
227.03555	1.3
231.10181	1.3
255.02902	2.0
257.08151	9.5
269.08276	1.0
270.09082	1.8
275.09271	1.9
283.02576	1.3
283.09995	1.3
284.03256	2.4
285.04181	6.9
285.11438	2.6
299.09210	2.4
311.09412	1.4
313.10483	1.9
314.07996	1.5
326.11615	1.5
327.12363	2.4
328.13159	4.6
329.10272	5.4
330.10748	1.6
341.10202	6.7
341.13940	1.3
342.10681	1.4
343.15552	2.4
344.12634	8.2
344.16345	1.7
345.13019	1.7
356.12589	4.2
357.13297	1.3
359.14972	22.8
360.15338	3.0
371.14902	16.9
373.11514	1.7
389.16150	1.0
447.09244	6.8
449.14343	5.6
450.93192	1.2
522.18506	1.1
537.20764	3.3
567.22247	53.7
568.22699	8.4
597.23523	3.1
613.21899	1.1
614.22882	2.3
615.24408	93.9
616.24719	16.3
740.21960	2.5
837.27820	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.4823
Annotation	Unknow
Peak:m/z	Relative Intensity
60.16576	1.1
63.96085	2.3
69.92094	5.4
71.01247	8.9
73.02826	1.9
78.98452	7.8
79.95605	15.1
80.96385	84.2
85.02813	2.6
87.00765	2.4
94.97958	19.6
97.02809	1.9
101.02306	2.3
106.02649	1.3
106.97964	4.6
107.29858	1.2
118.75623	1.2
119.01821	1.1
122.97444	4.4
125.02288	2.2
125.32214	1.2
134.97456	5.2
148.99031	7.0
152.98476	3.4
164.98549	10.5
206.04396	1.1
206.99644	2.8
225.00702	15.3
238.73962	1.2
269.33759	1.3
277.21735	2.2
282.05527	1.4
295.25867	1.8
307.93387	1.3
334.53305	1.2
345.69351	1.3
400.32172	1.2
559.25909	3.7
657.19708	1.4
693.92529	1.4
837.48267	100.0
838.48450	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	837.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	4.7
60.99182	2.3
61.98704	4.1
67.01749	1.0
69.03321	1.2
69.22721	3.7
70.03614	0.3
71.01255	2.3
72.99168	0.9
73.02813	0.5
78.95775	0.4
81.03339	0.5
83.04895	0.7
85.02819	10.1
87.00751	3.1
88.00275	0.5
88.98679	11.9
89.02320	3.0
93.03330	6.3
95.01251	0.6
99.04391	0.6
101.02313	1.1
104.96902	0.5
105.42765	0.4
109.02837	1.4
110.22505	0.3
111.04408	1.5
113.02324	0.4
125.02322	0.5
127.03917	2.7
127.04756	0.4
127.05061	0.3
135.04431	1.1
136.01674	0.4
137.02338	4.7
150.03114	0.7
155.03409	0.9
165.01833	10.3
165.05501	0.8
166.02299	0.9
171.02911	0.7
172.05199	1.3
173.04506	2.8
173.05757	0.6
179.03416	1.5
180.04172	5.7
181.04784	1.1
183.04457	0.8
187.07561	13.4
188.07944	0.9
191.05533	100.0
192.05859	2.9
194.05746	0.6
195.02997	0.4
195.06544	8.7
196.06989	0.9
199.03969	1.2
200.04645	0.7
202.06322	0.5
210.05225	2.2
213.09180	1.4
215.07106	3.7
225.07628	8.5
226.07947	0.8
227.03430	1.6
228.04184	1.4
229.08606	0.7
231.06618	0.7
231.10229	1.4
257.08173	14.9
258.08542	1.0
275.09256	2.0
284.03421	0.4
329.10275	0.5
341.10394	0.7
344.12640	0.6
352.08057	0.4
357.13144	0.5
358.13684	0.4
359.14944	1.1
371.14819	1.3
373.11398	0.6
405.11612	0.6
439.17798	0.4
449.14514	6.7
450.15091	0.6
465.15619	0.5
485.56543	0.4
491.69147	0.4
605.11932	0.4
615.24353	3.5
616.24255	0.7
657.22528	1.1
740.21387	0.6
837.27600	3.2
838.29468	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.2827
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	1.8
61.98698	1.7
67.01756	0.7
69.03321	0.2
71.01253	1.3
72.99162	0.2
73.02792	0.3
81.03349	0.4
83.04895	0.5
85.02819	8.2
86.03168	0.2
87.00739	1.8
88.42357	0.2
89.02293	0.3
92.12953	0.2
93.03329	4.8
95.01270	0.3
105.05976	0.2
107.11624	0.2
109.02850	0.7
111.04398	1.2
113.02308	0.2
119.04820	0.2
123.04380	0.2
125.02322	0.2
127.03919	2.5
135.04419	1.6
137.02393	0.4
150.03004	0.2
151.03889	0.2
155.03401	0.7
159.04463	0.3
171.02911	0.7
172.05205	1.7
173.04495	2.2
173.05888	0.4
179.03427	0.6
183.04424	0.8
187.03957	0.7
187.07565	17.0
188.07866	1.1
191.05533	100.0
192.05884	3.2
199.03940	1.9
200.04695	0.9
201.05421	0.3
202.06313	0.4
204.04198	0.4
211.04047	0.3
211.07623	0.3
213.09137	1.9
214.06219	0.3
215.07068	3.2
227.03404	2.8
228.04181	2.2
229.08627	1.2
231.10234	1.0
257.08170	17.3
258.08566	1.1
275.09210	1.4
285.04282	0.3
285.07553	0.2
308.09244	0.3
312.07306	0.2
341.10638	0.3
352.08081	0.5
354.87744	0.2
439.17551	0.3
449.14487	6.9
450.14780	0.8
465.15298	0.4
505.18155	0.2
533.17200	0.2
551.16931	0.3
657.21790	0.7
666.47839	0.2
734.47394	0.2
772.28522	0.2
805.31934	0.4
837.28082	7.8
838.28406	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	835.3971
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00461	0.6
59.01252	8.9
61.98687	0.2
67.01773	0.2
68.99680	0.2
69.03321	0.7
69.27096	0.1
71.01254	8.9
71.04888	0.3
72.01588	0.2
72.72817	0.1
72.99169	0.6
73.02818	1.4
75.00748	0.3
78.95771	0.2
80.02538	1.4
81.03325	2.1
83.01258	1.1
83.04400	0.3
83.04895	5.1
84.02037	1.3
85.02821	2.6
87.00745	2.3
89.02317	7.4
93.03329	1.1
95.01261	0.8
95.04882	0.8
96.95898	0.2
97.02828	1.4
97.06432	0.2
99.00755	0.6
99.04416	0.2
101.02322	5.9
106.04169	0.1
107.04857	0.2
108.02028	0.2
109.02842	0.4
109.06462	0.3
111.00758	0.5
111.04414	0.5
113.02336	3.2
119.03394	2.1
121.02850	0.2
123.04398	0.3
125.02336	2.9
125.05978	0.6
125.09647	0.3
127.03907	0.2
129.53581	0.2
131.03383	0.3
133.04930	0.2
135.04358	0.2
135.08046	0.9
137.02333	0.3
139.03911	0.3
141.20958	0.1
143.03374	1.4
147.11649	0.2
149.02316	0.2
149.04468	0.2
150.03188	0.2
150.33377	0.1
155.03387	0.2
155.10808	0.1
161.04472	1.3
163.11198	4.7
164.11469	0.2
164.29343	0.1
165.05486	0.2
165.12761	2.2
167.03314	0.2
171.10216	0.8
173.04492	0.5
179.03348	0.1
179.04015	0.2
179.05519	2.0
181.12300	0.6
191.05556	3.3
191.10701	1.0
199.06000	0.2
209.11765	100.0
210.12105	5.6
221.06668	0.9
225.11363	0.2
227.12837	15.6
228.13200	1.1
235.08174	2.9
247.13351	0.9
251.12787	0.3
253.09203	0.3
259.08206	0.2
263.07700	0.3
265.14514	0.4
268.51898	0.1
277.08868	0.1
287.07742	0.8
305.08731	1.3
323.09830	0.6
362.73682	0.2
379.12375	2.7
380.12820	0.4
397.13474	19.8
398.13788	1.4
415.14520	5.6
415.19989	0.3
416.14902	0.4
419.24753	0.2
437.25040	0.2
449.14612	0.3
469.21719	0.2
558.85205	0.2
589.24939	0.4
607.25848	0.9
773.36304	0.2
791.37671	0.3
799.36725	0.8
800.37476	0.3
817.38550	0.3
835.39941	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.3817
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00463	1.7
59.01254	25.0
61.98704	1.0
68.99705	0.8
69.03334	2.0
71.01257	21.4
71.04895	0.8
71.31002	0.9
72.99171	2.6
73.02839	3.2
75.00755	1.1
78.95786	1.3
80.02544	2.5
81.03337	5.6
83.01263	2.4
83.04897	9.4
84.02045	1.9
85.02827	6.6
87.00745	5.8
89.02322	15.2
93.03329	4.4
95.01266	2.1
95.04922	2.0
96.95882	1.4
97.02837	10.5
97.06445	1.6
99.00761	3.5
101.02329	13.9
107.04905	1.3
109.06478	25.1
110.03625	1.1
110.06815	1.1
111.00743	1.2
111.04399	2.3
113.02338	8.4
115.00246	1.6
116.92715	0.5
119.03392	4.5
121.02863	0.8
121.06472	2.2
123.04429	0.9
123.08086	0.7
125.02343	5.6
125.05980	1.1
125.09628	3.0
131.03398	1.1
133.06483	0.7
134.03685	0.8
135.04402	2.2
135.08067	5.3
136.05219	1.4
141.01866	0.9
142.02628	2.5
143.03418	2.4
147.08055	0.6
150.03125	0.6
152.04320	0.6
152.99559	0.6
155.03397	1.5
161.02342	1.0
161.04466	3.2
161.09639	2.4
163.11200	19.8
164.11505	1.0
165.09076	0.8
165.12799	3.3
171.10188	3.5
173.04515	1.3
175.02411	2.7
179.03358	1.0
179.05550	4.4
179.10701	1.2
181.12294	4.2
185.11839	0.9
187.09659	1.0
189.09100	1.3
191.05539	10.5
191.10672	2.0
192.05885	0.9
193.12155	0.5
199.06133	0.5
201.11159	1.2
207.10210	70.4
208.10527	3.9
209.11777	100.0
210.12140	6.0
217.07098	0.7
217.12245	1.3
221.06630	2.1
221.11838	1.4
223.13408	1.0
225.11282	34.5
226.11639	1.7
227.12843	13.6
228.13136	1.1
231.10190	1.5
235.08185	4.7
235.13278	0.8
243.12234	1.1
245.11790	1.5
247.13428	0.7
249.11263	1.3
251.12920	1.0
253.09380	0.8
263.07834	0.9
263.12830	2.2
281.13809	0.8
284.03226	0.7
285.04126	0.8
287.07755	1.0
299.15097	1.0
305.08783	0.8
314.04459	0.7
323.09882	1.0
355.22961	0.7
373.23981	0.7
379.12341	1.9
389.23486	0.8
397.13510	29.4
398.14001	1.7
399.21774	3.2
415.14636	9.1
417.22821	6.2
418.23108	0.7
435.23816	2.2
459.55380	0.7
605.24518	4.3
607.25726	0.8
622.15271	1.5
623.25427	6.3
624.26074	0.6
769.36102	0.7
782.55316	0.6
787.37585	0.7
789.36444	0.9
797.36060	13.3
798.36285	2.1
815.37097	21.0
816.37781	3.6
833.38171	31.7
834.38507	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	833.2051
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	2.1
60.99174	0.6
61.61565	0.3
61.98698	0.9
65.00182	0.4
68.99674	0.5
69.03317	0.5
71.01256	2.1
71.51118	0.6
78.95767	0.9
83.01252	0.5
85.02809	1.6
87.00750	1.0
88.98691	1.1
89.02313	1.2
93.03320	2.7
96.95876	1.2
97.02814	0.5
99.00710	0.4
101.02335	1.8
108.04424	1.0
113.02290	0.7
116.92744	0.5
119.04907	0.9
120.99535	0.7
123.04460	0.6
132.04515	0.5
133.02843	1.1
134.03568	0.6
135.04411	1.5
137.02376	0.6
149.02435	0.5
150.03104	1.1
150.06705	1.3
151.00276	0.9
151.07133	0.6
151.97031	0.4
152.99393	0.4
153.01912	0.4
155.03403	0.5
155.69547	0.4
160.03931	1.7
161.02173	0.5
163.07458	0.4
165.05408	0.5
173.04533	1.1
174.05457	0.4
177.01782	0.5
179.10715	0.9
188.03448	0.8
191.05548	11.4
192.05904	0.5
195.06723	0.5
199.09775	0.4
209.11760	1.2
210.06104	0.4
210.07988	1.7
211.08585	0.5
218.04471	0.7
218.34349	0.4
220.06279	0.5
222.07866	0.8
223.06450	0.7
223.08435	0.5
225.06595	1.2
225.10323	1.4
235.08664	1.2
237.04617	0.4
237.06534	2.3
237.10362	1.3
238.07498	5.8
238.09290	0.7
239.05933	0.6
239.08112	1.9
243.36421	0.4
248.05927	0.6
249.06683	0.4
250.07437	0.9
251.04617	1.7
251.08276	1.6
252.05432	1.2
252.09099	0.8
253.06079	3.3
253.09808	7.1
254.06668	0.5
254.10246	0.8
255.23466	0.5
263.08249	1.7
265.06186	9.0
265.09811	2.0
266.06790	14.8
267.04547	0.6
267.07687	4.4
267.10898	0.4
277.06174	0.7
279.04233	1.3
279.07736	1.9
280.04889	1.4
280.08514	1.8
281.05969	1.6
281.09302	31.3
282.06622	0.6
282.09665	3.3
284.03250	8.7
285.04028	19.8
286.04373	1.7
291.07877	2.0
292.08347	0.8
293.05722	5.3
294.06458	33.5
295.06915	3.9
298.10983	1.9
307.07404	1.0
309.08798	83.9
310.09167	8.0
311.10358	3.1
313.08115	0.5
325.03384	0.6
335.06735	1.0
337.08359	0.7
341.11395	29.9
342.11771	3.2
353.07800	29.7
354.08228	3.5
355.09476	2.5
385.10400	100.0
386.10751	10.9
387.12024	2.8
397.13263	0.7
447.09277	11.8
448.09570	1.6
468.30615	0.4
508.33466	0.6
670.38824	0.6
762.48096	0.4
801.18054	1.2
815.37598	0.5
832.44464	1.5
833.44025	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	831.493
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96085	1.5
68.84801	1.1
69.85179	1.7
69.85476	6.6
71.01235	5.1
73.02824	1.7
76.15119	1.0
78.98463	4.4
79.95605	20.3
79.96043	1.9
80.96391	53.4
85.02837	2.1
87.00757	2.5
94.97967	10.5
97.02815	1.7
106.97997	2.1
107.79449	1.1
122.97438	3.4
125.02344	1.8
134.97467	4.1
148.99016	3.3
152.98518	5.2
164.98544	6.1
206.99535	1.7
225.00694	14.7
240.94836	1.1
283.04962	1.6
549.86731	1.3
831.49280	100.0
832.49695	26.5
832.64362	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	831.4938
Annotation	Unknow
Peak:m/z	Relative Intensity
70.96655	1.1
71.01261	6.7
71.14432	1.5
78.98454	5.4
79.95613	20.0
80.96397	55.5
85.02802	1.2
87.00777	2.0
94.97968	15.0
96.95898	2.1
97.02858	1.2
106.97975	1.9
122.97496	3.9
125.02291	1.6
134.97498	3.8
148.99049	4.4
152.86037	1.0
152.98526	3.7
163.85513	1.0
164.98627	5.9
173.11719	1.1
206.99640	1.9
225.00705	13.8
283.05066	1.9
314.06512	1.2
341.05396	1.3
537.27496	2.2
770.25555	1.9
831.49353	100.0
832.49817	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	831.5
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	2.4
71.01250	1.5
74.59013	0.6
78.95771	89.6
78.98440	1.1
79.95583	2.9
80.96379	7.5
94.97966	2.0
96.96198	1.1
96.96834	22.4
96.97431	1.5
98.19757	1.2
104.77474	0.7
116.36472	0.8
122.97444	1.2
134.67310	0.7
152.99504	28.6
153.00748	1.6
164.98503	1.8
191.94600	0.9
223.00079	13.1
225.00635	2.8
241.01152	49.6
242.01511	1.4
255.23260	99.0
256.23633	6.8
259.02283	4.3
277.21707	59.8
278.22079	7.5
297.03763	2.8
315.04843	1.8
391.22409	8.3
407.67538	0.8
413.20825	2.0
553.27826	8.9
554.27661	1.0
571.28821	1.8
575.25787	1.5
831.50208	100.0
832.50531	27.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.4381
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	6.9
61.98667	1.6
67.01740	1.5
68.99664	1.9
69.03335	1.4
69.19535	3.1
69.19958	8.4
71.01245	6.0
73.02806	1.3
75.91649	1.1
78.95773	4.7
83.04874	1.0
85.02827	6.8
87.00751	8.8
88.98677	2.6
89.02310	2.5
93.03330	9.1
94.03652	1.1
94.46425	1.0
96.95894	14.0
96.96821	1.3
99.04379	1.1
101.02305	4.0
109.02842	1.3
111.04375	1.5
111.08028	1.4
112.87847	0.9
113.02339	2.2
114.05362	1.0
119.03430	1.1
119.04916	2.0
121.02856	1.7
121.06432	1.2
123.04390	2.5
123.08082	1.1
125.02302	1.9
127.03849	2.8
130.74200	1.0
133.02789	1.4
135.04401	4.0
135.08043	1.0
148.05257	1.6
149.02258	1.4
149.05960	4.7
150.03101	2.5
150.06766	54.8
151.07204	1.3
152.99486	2.5
153.24530	0.9
153.58089	1.1
155.03413	1.2
155.10764	1.3
157.08606	1.8
161.02312	1.5
162.06779	6.4
163.07562	25.0
164.08380	8.1
165.05481	1.9
165.84227	1.0
171.10240	1.2
173.04433	4.6
175.02510	1.2
176.08366	2.1
177.09088	2.7
178.09904	3.5
179.03337	1.6
179.10674	16.8
180.11079	1.0
190.12285	1.1
191.05528	40.0
192.05865	3.6
209.11798	1.8
221.15358	1.1
240.06798	1.0
241.01291	1.9
255.23242	2.8
277.21576	1.2
279.23187	2.0
281.21185	1.8
316.12100	1.1
325.23874	2.9
327.21704	9.1
428.29245	1.2
430.30920	1.2
446.30280	8.6
447.30679	2.0
460.31903	10.0
461.32608	23.2
462.33035	4.2
487.30682	2.9
488.31549	5.9
489.32101	4.5
505.32007	2.2
506.32483	15.8
507.33206	36.8
508.33728	6.2
544.18689	1.2
651.37720	2.7
669.38550	14.5
670.39093	2.1
831.43848	100.0
832.44232	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	829.3863
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00476	4.5
59.01250	100.0
60.01606	0.8
61.98711	1.6
65.03845	1.0
65.13937	0.7
67.01760	1.3
68.99689	23.4
69.03323	12.5
69.31857	4.0
69.32281	2.5
71.01254	89.2
72.01593	1.4
72.17667	0.6
72.99190	7.1
73.02819	7.8
75.81055	0.7
83.01262	4.9
85.02822	23.4
87.00751	5.0
89.02318	91.9
90.02686	1.2
91.01778	2.8
93.03333	13.4
95.01260	7.0
96.95905	1.2
97.02856	2.2
99.00767	4.0
101.02322	76.9
107.04918	13.6
113.02328	36.0
114.02631	1.0
119.03387	34.4
119.04838	1.6
121.02848	24.6
121.06483	4.9
123.04406	0.9
125.02336	1.6
131.03442	3.6
131.51218	0.7
135.04424	3.7
136.58113	0.7
137.02373	1.3
143.03400	9.4
143.04506	0.8
143.04947	0.8
145.06534	5.0
147.04446	7.1
147.07825	0.7
149.02373	1.5
149.04497	3.6
149.05898	0.9
151.03923	6.2
153.05479	13.0
158.03635	1.2
159.02916	1.4
161.02379	1.4
161.04460	22.5
161.05862	1.4
163.03926	3.9
163.07584	2.8
165.01813	3.7
165.05547	1.8
171.04465	3.0
173.05994	9.8
175.03989	1.8
179.03453	16.0
179.05556	19.9
179.06850	0.8
180.03741	1.2
181.05009	1.0
185.05898	0.7
187.07605	3.4
189.05527	2.9
191.05730	5.0
191.06909	5.3
195.06573	1.7
197.04497	1.1
199.03976	1.8
205.08641	3.6
207.06679	2.1
213.05612	1.8
217.05083	4.5
221.08150	1.5
223.09837	1.0
231.06564	10.1
235.06161	1.0
249.07675	7.2
250.08163	0.9
255.19742	1.7
267.08755	2.0
341.08749	7.4
346.74030	0.7
367.65576	0.7
411.13025	5.9
417.24936	31.9
418.25372	3.6
429.13962	21.7
430.14508	2.6
439.96356	0.9
537.66638	0.9
553.75397	0.9
565.30157	14.9
566.30627	2.6
597.29175	87.1
598.29419	13.1
617.29425	5.5
631.31732	3.3
632.30835	1.0
635.30658	2.8
649.32623	4.8
649.42798	0.8
650.33514	1.7
667.33392	18.7
668.34131	2.8
829.37073	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.2621
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	12.3
67.01762	8.3
68.87106	0.7
68.99690	60.6
69.03333	6.4
69.46547	2.4
69.46975	3.0
70.00043	1.1
71.01257	12.6
72.01597	0.7
73.02789	0.9
83.01270	1.0
85.02834	3.3
87.00798	1.2
89.02327	6.0
93.03358	1.0
94.92487	0.7
95.01256	1.7
95.04900	1.2
97.02808	0.8
99.86877	0.8
101.02325	100.0
102.02682	2.2
108.02065	0.7
109.02901	0.8
111.00771	1.5
111.72601	0.7
113.02340	3.6
119.03403	2.0
121.02855	3.8
127.03911	18.8
135.04308	0.7
137.02356	0.9
143.03377	1.4
143.04964	1.2
149.02347	3.2
150.89961	0.7
151.03802	0.8
155.03351	1.1
161.02295	0.8
165.01799	1.6
165.05441	0.7
173.06032	1.0
179.05545	1.2
181.04974	2.1
191.05515	2.7
191.07101	1.1
199.07635	0.9
201.05476	0.9
227.07082	2.0
229.08693	0.9
249.11313	4.6
253.08798	1.1
259.09720	0.8
269.08112	1.4
275.12885	1.5
277.10883	2.1
297.07693	1.5
303.12299	1.2
329.10382	1.5
329.13913	1.3
333.13434	2.1
357.13553	1.0
483.15012	6.6
491.15628	2.1
519.18909	0.9
523.18182	8.3
524.18640	0.9
551.17706	4.1
595.16760	11.0
596.16736	2.2
621.22211	0.9
827.26184	62.0
828.26447	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	828.5393
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	2.1
60.99170	1.2
61.98693	2.0
69.03296	1.2
71.01257	1.3
71.04892	3.7
71.50475	1.0
72.99182	0.8
75.00715	0.6
77.14774	0.6
78.95770	11.7
80.02542	0.6
88.98676	9.5
89.02321	1.5
90.18853	0.6
93.03347	1.5
93.06960	1.0
95.04927	1.7
96.95895	1.3
96.96841	1.7
97.06467	3.5
111.08060	2.9
116.92715	1.2
119.08554	4.7
121.10103	9.0
122.98443	0.9
123.08031	2.3
124.99934	1.1
125.09607	7.3
128.31413	0.7
135.04375	0.9
137.09599	1.5
141.12758	1.1
147.08083	0.9
149.09576	0.8
151.01509	0.7
151.11214	0.6
152.99472	4.4
167.10675	0.9
168.04224	1.4
171.10175	11.5
181.12366	0.6
183.13811	0.7
185.11740	17.1
186.11986	0.9
191.05542	3.4
193.16022	0.8
195.13858	2.8
197.11775	4.5
209.11749	2.5
211.13399	3.4
223.13301	1.1
224.06825	0.8
229.19554	3.8
242.07950	3.1
247.13271	0.8
247.20679	3.6
248.21010	0.6
273.18558	6.1
275.20227	4.0
277.21609	1.4
279.23276	87.1
280.23666	6.4
289.18222	1.0
291.19647	100.0
292.20032	9.1
309.20590	5.2
397.13385	0.7
433.23566	1.6
459.24875	1.1
503.30280	0.8
504.30927	29.2
505.31296	3.9
631.23969	0.6
745.01221	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00446	3.7
58.79506	0.9
59.01249	52.9
61.98689	3.0
67.01757	14.3
68.99689	66.2
69.02966	1.1
69.03326	23.2
70.33151	2.8
71.01253	45.6
72.99186	5.2
73.02778	1.2
78.95757	1.4
83.01260	2.2
85.02832	9.3
87.00730	2.9
89.02319	37.6
91.05398	1.2
93.03345	6.8
95.01230	3.4
95.04899	0.9
97.02819	2.3
99.00786	5.4
101.02321	100.0
102.02632	1.6
109.38274	0.8
113.01633	1.3
113.02332	15.3
117.03324	2.0
119.03396	17.5
119.04901	8.6
121.02810	3.8
127.03905	30.3
129.01822	0.9
131.03357	1.7
135.04424	2.1
143.03355	2.2
143.04958	4.7
145.06465	2.5
147.04376	2.7
147.08034	1.1
149.02318	2.3
149.04492	1.1
149.06015	1.0
151.03899	1.2
152.99472	2.3
153.05457	1.9
155.03365	1.4
155.04895	1.8
157.06468	1.0
161.04448	2.3
163.03880	4.1
171.04424	10.9
173.02284	1.0
173.04494	1.5
173.05901	2.1
175.03868	1.1
177.05498	2.5
179.05490	6.9
179.07014	15.0
181.04953	2.3
183.04434	2.4
191.05536	9.6
192.05840	1.1
195.06516	2.6
197.06027	1.0
199.03934	7.6
199.07599	1.3
201.05478	1.2
203.07019	1.1
207.06477	2.4
215.07057	3.8
223.07533	1.2
225.09184	1.0
227.03468	7.1
227.06978	1.6
231.06548	2.9
233.05833	1.2
233.08089	1.2
241.08707	1.3
243.06612	1.2
247.09415	1.0
251.07076	2.0
251.09787	1.0
259.06067	6.2
259.09677	2.0
279.06622	2.6
284.03189	1.3
285.04031	4.1
291.08710	5.4
311.09222	1.4
343.12015	1.5
371.10959	1.2
432.30316	1.0
447.09180	3.6
491.15512	1.8
519.19348	2.1
523.18152	18.6
524.18616	2.3
551.17651	14.3
552.17780	1.9
578.35364	1.1
593.22070	1.8
595.16663	15.5
596.16815	2.5
621.21906	2.4
647.20111	1.4
827.26093	84.3
828.26385	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	825.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98709	8.4
62.89188	0.9
67.01765	1.6
71.01257	1.3
71.51280	1.8
85.02832	2.5
87.00729	1.9
93.03331	8.9
95.01280	2.1
96.95860	1.4
98.26859	0.9
109.02821	2.0
111.00764	2.0
118.54444	1.0
119.04845	1.6
119.84372	1.0
121.02853	5.7
122.03636	14.9
123.00785	3.4
124.01538	1.7
125.02367	1.4
127.00293	1.1
128.03452	1.0
133.02844	3.4
135.04453	5.0
136.01567	3.1
137.02309	3.5
138.03165	1.9
139.00299	4.9
139.03879	1.7
145.02834	1.9
147.04448	3.7
149.02344	23.9
150.03134	99.8
151.00278	12.8
151.03883	6.5
153.01854	1.6
153.05498	1.5
154.02510	1.0
155.03369	1.5
159.04385	2.9
161.02310	2.0
162.03137	3.1
163.03842	1.7
164.04700	4.9
165.01826	2.7
165.05484	87.4
166.02635	25.1
166.05833	3.1
166.97403	1.0
173.04437	3.0
173.05843	1.0
174.03134	1.1
175.03934	3.5
177.01836	2.9
177.05482	3.3
178.02562	1.8
179.03430	4.0
179.07103	1.2
180.04160	7.2
181.04977	28.2
191.03456	7.5
191.05528	25.9
191.07063	1.0
192.04202	3.3
192.05875	1.7
193.04889	3.0
195.06558	33.3
196.06905	1.9
203.03432	7.5
204.04141	1.7
205.04980	2.9
207.06578	3.1
218.05809	8.7
219.06612	1.9
221.04494	4.5
233.08105	6.6
234.08293	1.1
236.06862	11.5
249.07610	1.7
251.09219	24.5
252.09465	1.2
285.03992	2.7
306.07742	1.3
329.10608	1.4
338.93750	1.0
353.08954	1.2
355.08209	1.6
358.10611	2.4
365.24838	1.0
373.12943	9.1
397.11011	1.2
399.14932	2.1
403.13864	3.9
417.11978	2.9
418.12842	1.2
419.13470	1.9
429.15213	1.3
431.13358	2.1
432.14011	3.7
433.15042	10.4
459.83032	1.2
566.18170	1.4
566.42010	1.0
581.20129	7.5
582.20251	1.5
611.21320	2.4
629.22357	100.0
630.22699	20.5
737.26599	1.4
744.54663	1.4
777.27441	2.2
825.30829	1.8
826.31183	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	825.4283
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	7.2
61.98694	2.2
67.01753	1.1
68.99699	1.0
69.03307	1.1
69.77966	0.5
70.94343	1.1
71.01256	10.2
72.99195	3.1
73.02805	0.9
75.00748	23.3
75.48506	0.5
83.01250	1.3
85.02824	30.2
87.00750	6.9
88.77973	0.5
89.02321	1.8
93.03336	4.0
95.01262	4.0
96.95907	0.8
99.00755	4.6
101.02301	1.3
103.00222	0.9
109.02826	1.3
111.00785	0.9
111.04343	0.7
112.01509	0.9
113.02336	22.0
114.02679	0.6
115.00277	2.7
116.01030	2.4
117.01861	1.3
119.04921	0.6
121.02829	1.4
122.03625	4.4
123.00742	1.1
123.04380	0.7
129.01813	0.7
133.02843	1.6
135.04381	1.5
135.24718	0.5
136.01553	1.0
137.02306	2.1
138.03020	0.7
139.00262	1.2
139.03864	0.9
149.02362	6.6
150.03137	25.8
151.00267	2.1
151.03795	2.4
155.03392	1.0
157.01344	1.6
161.02332	3.1
162.03093	0.6
163.03894	1.2
164.04683	1.5
165.01793	1.4
165.05487	21.9
166.02634	7.5
166.05801	0.9
169.86832	0.6
173.04446	1.8
175.02380	1.1
175.03888	0.7
176.04681	0.8
177.01857	0.9
177.05482	0.8
178.02641	1.0
179.03532	2.8
180.04166	2.4
181.04971	7.0
191.03439	1.7
191.05536	11.2
192.04213	1.0
192.05882	1.2
193.04971	1.8
194.05727	2.1
195.06586	12.9
203.03418	1.6
209.08150	4.4
218.05771	1.9
221.04404	0.8
221.08159	0.7
233.08122	1.8
236.06808	2.7
251.09222	4.5
294.05069	0.7
328.09796	0.7
339.08496	0.9
343.11795	0.6
353.08701	0.7
355.08182	1.2
355.12039	0.9
358.10394	1.4
373.13074	2.8
385.12784	0.9
403.13849	1.9
425.30515	0.7
431.13104	0.6
432.13962	0.7
433.15149	3.0
439.31818	1.4
455.31763	6.7
455.37671	1.1
456.31842	0.8
467.31488	1.5
469.33228	1.6
485.32666	5.0
486.33069	1.0
487.27777	1.0
487.34348	12.0
488.34616	1.8
617.37073	0.8
619.38647	1.1
629.22400	21.4
630.22742	5.4
663.37225	1.0
825.42792	100.0
826.43085	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	823.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00463	5.1
59.01249	100.0
62.17772	1.3
65.00199	1.3
65.03808	2.2
67.01759	13.2
68.99686	20.8
69.03320	12.3
69.42313	11.3
71.01253	63.0
72.99174	5.8
73.02801	2.4
75.80072	1.3
81.03333	2.1
81.24281	1.3
83.01261	5.3
83.04939	2.7
85.02822	45.4
87.00745	5.0
88.58013	1.2
89.02314	62.2
91.05377	3.7
92.99658	2.4
93.03336	21.8
94.68062	1.3
95.01266	5.8
95.04908	27.2
97.02822	3.1
99.00745	1.5
101.02322	62.4
102.02642	1.4
103.21450	1.3
107.04903	13.7
108.02085	1.4
109.02836	6.7
109.06438	1.6
111.00770	14.9
111.04391	14.4
113.02326	20.6
117.01871	1.7
117.03318	4.3
119.03401	21.2
119.04895	12.8
121.02844	42.5
123.04398	10.7
125.02341	5.2
127.03910	29.8
131.03368	2.5
133.02853	2.6
134.03621	1.9
135.00792	2.6
135.04402	39.9
136.04778	1.6
137.02345	28.6
137.05962	6.6
139.00264	18.4
139.03859	2.5
143.03407	4.5
145.02914	1.7
147.04388	2.6
149.02354	1.6
151.03899	5.4
153.01846	3.2
153.05437	3.2
155.03381	8.5
161.02348	5.9
161.04482	4.7
162.03139	1.8
163.03917	25.8
165.01851	2.9
165.05498	6.7
168.99960	2.4
169.01344	31.8
177.05476	11.2
179.03427	14.0
179.05519	34.1
179.06975	2.0
181.04956	4.1
189.01830	1.6
191.03636	1.2
191.05531	5.0
193.05017	2.1
195.06561	37.6
200.79424	1.5
207.02966	11.0
213.07625	1.8
221.04483	2.1
223.06004	7.4
225.04019	2.2
239.05576	44.8
240.05873	3.0
241.07077	1.8
257.06622	5.6
259.08047	1.7
299.08255	1.7
348.28967	1.5
371.09946	10.2
375.13040	3.8
387.09366	13.8
403.12201	6.8
414.89191	1.6
419.11926	42.8
420.12210	4.4
698.09845	1.7
772.64349	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	818.4546
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	0.2
61.98701	100.0
70.96120	0.2
71.51390	0.3
78.95778	1.1
79.62591	0.2
80.96399	0.4
90.54861	0.2
152.99490	0.2
171.10196	0.4
191.05627	0.4
218.32166	0.2
241.01212	0.2
595.54474	0.3
728.39661	0.4
800.42084	0.4
812.55621	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	0.3
61.98701	100.0
62.98404	0.1
68.99720	0.1
69.21887	0.3
69.22310	0.7
71.01259	0.3
73.30337	0.1
85.02820	0.1
89.02325	0.3
93.03356	0.4
101.02333	0.1
151.00278	0.1
157.24524	0.1
173.04480	0.1
191.05531	1.2
192.05830	0.1
204.04225	0.1
220.62582	0.1
272.55472	0.1
337.27161	0.1
483.59433	0.1
525.16559	0.1
534.99756	0.1
659.23242	0.2
820.25647	0.2
821.26001	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4177
Annotation	Unknow
Peak:m/z	Relative Intensity
58.16362	0.1
61.98701	100.0
62.98404	0.2
69.80350	0.2
69.92467	0.3
69.92888	0.6
71.01273	0.3
78.95784	0.7
79.95609	0.2
80.96396	0.7
85.02837	0.2
87.00786	0.3
93.03329	0.3
96.95876	0.2
134.05714	0.2
171.10231	0.2
191.05576	1.0
197.11829	0.4
209.11852	0.3
211.13358	0.4
229.14308	0.2
231.74994	0.2
245.13388	0.2
285.03949	0.2
309.20865	0.2
311.22223	0.3
329.23413	0.4
348.48221	0.2
348.52838	0.2
360.10916	0.2
377.94553	0.2
441.04214	0.2
539.08423	0.2
818.49371	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	816.4022
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01274	0.2
61.98699	100.0
67.32389	0.2
71.01282	0.2
71.39529	0.3
78.95774	0.5
79.95612	0.4
80.96391	1.8
93.03301	0.2
94.97998	0.5
97.02822	0.2
145.73994	0.2
152.99538	0.2
164.98535	0.2
191.05608	0.6
209.11801	0.2
225.00754	0.5
250.56824	0.2
304.20999	0.2
515.81763	0.2
572.45306	0.1
805.33130	0.2
815.49567	1.0
816.49841	4.3
817.37250	0.3
817.50940	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.3815
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	100.0
60.01591	0.8
61.98701	76.5
62.22091	0.5
62.98428	0.8
69.03333	0.5
71.01263	3.2
71.49954	0.6
71.50451	0.6
78.95780	1.2
79.95600	1.1
80.96402	3.2
83.01262	0.6
85.02834	0.7
87.00739	0.8
89.02317	2.0
94.97979	0.8
95.01225	0.5
95.53786	0.5
97.02833	1.4
101.02318	2.1
113.02320	0.9
119.03366	1.2
125.02315	0.7
139.26024	0.5
141.01596	53.3
142.01938	0.8
171.92050	0.5
191.05507	1.4
196.39755	0.5
196.75890	0.5
209.11879	0.8
225.00661	0.7
235.08124	0.5
255.18320	0.6
277.21701	5.9
278.21988	0.9
359.21988	4.6
397.13519	10.2
398.13791	0.9
402.43402	0.5
415.14719	3.0
419.11548	2.4
437.12717	4.0
469.06259	1.2
675.35614	0.7
697.33704	2.1
816.48645	0.8
817.35516	0.9
817.49506	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	815.4984
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81103	0.3
59.01246	1.1
63.05242	0.3
63.96103	1.7
69.03332	0.6
70.97638	0.6
70.97977	0.4
71.01249	7.5
73.02835	1.6
78.95764	0.5
78.98460	5.7
79.95124	0.4
79.95602	11.1
80.96386	66.0
81.03308	0.7
81.38770	0.3
83.01251	0.4
85.02818	2.4
87.00740	2.4
94.97956	15.4
95.01257	0.6
96.95872	1.0
97.02820	1.7
99.00765	0.8
99.04370	0.4
101.02319	2.1
106.97967	2.6
122.97475	3.7
125.02341	2.6
127.03889	0.6
134.97466	5.3
136.99026	1.2
148.99054	6.4
152.98534	6.5
152.99680	0.6
164.98540	11.6
165.98860	0.3
167.00151	0.5
179.00095	0.4
182.99405	0.3
188.98541	0.4
206.99626	2.5
215.04231	0.4
219.36516	0.3
225.00694	16.8
226.01003	0.6
250.52422	0.3
255.23294	1.9
277.21692	1.1
283.04947	0.4
290.07986	0.3
537.27368	1.2
559.25739	1.6
636.09637	0.3
760.69495	0.3
815.49786	100.0
816.50134	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	815.3708
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	1.9
58.00465	3.4
59.01250	64.4
60.01592	0.6
61.98693	1.1
65.03823	1.0
67.01747	1.3
68.99672	0.6
69.03329	7.1
69.31847	2.5
69.32272	2.7
70.82637	0.6
71.01252	42.1
72.99175	5.0
73.02811	3.2
80.96370	1.0
83.01257	3.1
85.02825	15.1
87.00729	2.9
87.04352	0.9
89.02314	27.5
93.03339	11.0
95.01241	2.7
95.04890	3.2
98.19820	0.9
99.00753	0.9
101.02319	20.0
102.84173	0.5
113.01531	1.0
113.02322	14.1
119.03384	8.9
119.04869	2.1
121.02845	32.2
121.06458	1.8
122.03137	0.8
123.04352	1.8
125.02316	0.7
129.07037	3.3
130.04120	1.7
131.04907	1.7
135.04405	1.2
139.03839	1.0
142.99712	0.6
143.03374	1.5
143.04933	1.7
145.06487	6.2
147.04324	1.4
147.08041	7.1
149.02251	0.8
149.05904	0.6
158.03619	0.7
159.02846	0.7
161.04436	3.1
161.05751	3.3
163.07484	0.7
165.01866	3.9
165.05496	1.3
165.09174	0.7
173.05984	10.9
173.95845	0.6
179.05513	1.9
187.07501	0.8
189.05493	4.6
191.05487	5.5
191.07048	11.8
192.07436	0.8
207.03003	0.9
209.08186	1.3
214.00130	0.6
217.04979	3.0
235.06055	0.7
262.99231	0.6
318.66684	0.7
327.07224	0.7
371.13348	0.9
376.48224	0.6
397.11218	4.1
417.24927	3.8
418.25153	0.7
539.28790	4.1
583.27509	5.5
584.27533	0.8
591.31329	0.7
635.30835	2.8
636.31244	0.7
815.37042	100.0
816.37408	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.278
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00467	0.4
59.01242	1.5
61.98702	0.9
65.32316	0.4
69.03324	0.4
70.54250	0.4
71.01265	1.9
71.50905	0.6
72.99184	0.5
73.02804	0.6
73.73206	0.4
74.98499	0.3
78.68816	0.3
78.95774	0.7
80.96402	0.7
85.02828	2.1
87.00748	0.5
87.04398	0.7
89.02314	0.6
93.03350	3.0
95.01250	0.4
96.95892	1.1
97.02833	0.5
101.02320	1.3
113.02402	0.4
117.03345	1.2
119.04919	100.0
120.05247	3.3
121.02863	1.8
123.04382	0.6
125.02280	0.6
132.05688	1.1
133.02835	0.7
133.06487	4.7
134.03685	0.4
135.04442	1.4
137.02383	0.5
137.09605	0.5
145.02866	3.8
150.03128	0.7
152.99538	0.7
155.03471	0.4
155.10689	3.7
159.04465	0.4
161.02370	0.9
161.05998	9.7
161.24522	0.4
162.06297	0.4
163.03925	39.2
164.04289	1.7
165.05432	0.8
173.04475	1.1
177.01816	0.4
179.03427	0.6
187.03993	1.0
191.05562	9.4
191.06985	0.3
192.05885	0.6
195.10251	0.5
199.09729	3.7
205.05005	20.5
206.05341	1.1
218.79388	0.4
241.10849	1.4
261.08859	0.4
281.43036	0.4
283.11911	1.4
285.03806	0.4
343.14169	2.6
367.11893	0.6
385.15167	0.5
507.18729	6.4
508.18805	0.9
549.19635	3.8
550.20251	0.7
571.58533	0.4
591.20874	1.2
633.22992	0.9
651.23218	0.9
815.26886	7.7
816.28625	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	815.3712
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	1.1
58.00458	2.3
59.01252	55.4
61.98692	2.9
67.01743	1.4
69.03323	6.5
70.76402	0.8
70.89429	2.1
71.01256	39.1
72.99180	2.8
73.02813	4.0
78.95807	1.0
82.95287	0.8
83.01257	3.4
83.02371	1.5
85.02832	17.3
87.00743	2.2
89.02321	27.3
93.03342	12.1
95.01265	3.3
95.04912	1.9
97.02850	1.2
99.00739	1.4
101.02325	22.5
108.02113	0.8
113.02335	12.0
119.02701	0.9
119.03410	8.8
119.04912	2.7
119.08567	0.8
121.02854	32.0
121.06457	2.9
122.03136	1.2
123.04414	2.7
125.02283	1.0
127.03955	1.0
129.07002	4.4
130.04135	2.1
131.03358	1.0
131.04964	0.9
133.02800	0.8
135.04398	2.2
139.03835	1.3
143.03400	1.5
143.04970	1.3
145.06485	5.2
147.04404	1.9
147.08067	7.3
149.02385	0.9
150.03108	1.3
155.03334	1.0
158.03648	0.9
161.02382	1.0
161.04449	2.5
161.05989	3.4
163.07614	1.5
165.01822	3.4
165.05466	2.9
173.04556	1.6
173.05980	10.9
179.03406	1.0
179.05545	2.3
189.05519	5.0
191.05496	10.2
191.07092	10.9
192.07674	1.0
195.06607	2.7
207.02922	1.0
209.08189	0.8
217.04990	2.2
369.13623	1.0
397.11295	5.6
417.24838	3.4
539.28436	3.9
541.49121	0.9
583.28217	3.8
591.32056	1.3
635.30579	3.2
653.32715	1.0
815.37091	100.0
816.37457	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	813.2834
Annotation	Unknow
Peak:m/z	Relative Intensity
57.22979	3.2
58.15191	2.5
59.01246	58.4
60.99179	3.2
61.98685	9.6
67.01767	3.6
68.99693	36.5
69.03323	15.5
71.01252	46.9
72.99187	3.2
73.02818	4.9
78.95782	6.4
85.02826	26.4
87.00757	8.9
88.98673	11.9
89.02316	43.9
93.03333	36.1
96.95866	7.4
98.20661	5.1
99.00715	3.1
99.58513	2.7
101.02325	100.0
107.04916	9.6
108.02083	3.7
109.02856	3.5
113.02332	24.2
119.03411	14.4
121.02859	51.4
121.06481	15.3
122.03631	8.8
125.02329	6.4
127.03894	4.5
133.02838	3.8
135.04384	8.0
136.01593	4.9
137.02312	6.6
145.06448	3.4
147.04399	5.4
148.05193	40.5
149.02321	25.0
149.05864	3.3
150.03123	60.2
151.03665	13.1
152.99530	4.6
153.05489	28.9
161.04468	10.6
163.03972	4.3
163.07547	23.3
164.04678	4.0
165.01886	18.8
165.05473	47.7
166.02406	3.0
166.06201	23.9
173.04562	3.1
176.04579	4.9
179.03407	17.2
179.05545	6.4
180.04146	14.1
181.05011	15.5
181.08630	16.7
182.05716	3.5
191.05511	49.1
191.06987	4.7
193.04988	5.1
194.05635	3.3
195.06563	57.2
196.07043	15.2
197.04414	7.2
209.08096	6.1
211.09666	9.1
225.07573	9.0
233.06656	4.4
249.07770	4.0
293.08649	9.5
309.09793	7.1
311.93851	2.9
341.08749	27.0
343.11725	8.3
355.10532	3.2
359.15109	9.5
367.11829	5.4
373.11853	4.3
374.13181	4.2
381.82031	3.2
411.13031	7.1
429.13956	30.4
435.09592	3.1
443.15659	8.1
457.17401	5.4
461.16751	23.3
462.16223	3.4
471.59894	3.2
473.18326	5.9
505.17163	36.5
506.17105	5.1
531.60791	3.4
569.23358	5.1
573.18512	3.5
575.21527	7.0
601.21008	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	813.2834
Annotation	Unknow
Peak:m/z	Relative Intensity
57.22979	3.2
58.15191	2.5
59.01246	58.4
60.99179	3.2
61.98685	9.6
67.01767	3.6
68.99693	36.5
69.03323	15.5
71.01252	46.9
72.99187	3.2
73.02818	4.9
78.95782	6.4
85.02826	26.4
87.00757	8.9
88.98673	11.9
89.02316	43.9
93.03333	36.1
96.95866	7.4
98.20661	5.1
99.00715	3.1
99.58513	2.7
101.02325	100.0
107.04916	9.6
108.02083	3.7
109.02856	3.5
113.02332	24.2
119.03411	14.4
121.02859	51.4
121.06481	15.3
122.03631	8.8
125.02329	6.4
127.03894	4.5
133.02838	3.8
135.04384	8.0
136.01593	4.9
137.02312	6.6
145.06448	3.4
147.04399	5.4
148.05193	40.5
149.02321	25.0
149.05864	3.3
150.03123	60.2
151.03665	13.1
152.99530	4.6
153.05489	28.9
161.04468	10.6
163.03972	4.3
163.07547	23.3
164.04678	4.0
165.01886	18.8
165.05473	47.7
166.02406	3.0
166.06201	23.9
173.04562	3.1
176.04579	4.9
179.03407	17.2
179.05545	6.4
180.04146	14.1
181.05011	15.5
181.08630	16.7
182.05716	3.5
191.05511	49.1
191.06987	4.7
193.04988	5.1
194.05635	3.3
195.06563	57.2
196.07043	15.2
197.04414	7.2
209.08096	6.1
211.09666	9.1
225.07573	9.0
233.06656	4.4
249.07770	4.0
293.08649	9.5
309.09793	7.1
311.93851	2.9
341.08749	27.0
343.11725	8.3
355.10532	3.2
359.15109	9.5
367.11829	5.4
373.11853	4.3
374.13181	4.2
381.82031	3.2
411.13031	7.1
429.13956	30.4
435.09592	3.1
443.15659	8.1
457.17401	5.4
461.16751	23.3
462.16223	3.4
471.59894	3.2
473.18326	5.9
505.17163	36.5
506.17105	5.1
531.60791	3.4
569.23358	5.1
573.18512	3.5
575.21527	7.0
601.21008	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	813.2302
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	5.3
57.11623	5.4
59.01254	83.2
59.48531	6.7
65.44908	5.6
66.58561	5.9
67.01753	9.0
69.03327	36.8
71.01259	100.0
71.49838	7.6
71.79864	6.3
72.99176	15.9
73.02814	12.8
75.00723	9.5
81.03324	10.1
83.97754	5.4
85.02811	29.8
87.00779	13.5
89.02325	85.1
92.29417	5.5
93.03331	23.7
95.01282	10.5
95.04879	19.4
95.98696	5.9
97.02827	81.5
97.06470	9.7
99.00729	9.1
101.02332	60.3
103.70543	6.2
107.04901	30.2
109.02833	6.9
111.04412	14.3
113.02324	47.4
119.03367	41.3
119.04912	13.5
121.02855	38.5
123.04408	42.3
125.05955	27.1
129.01817	25.8
131.03400	6.8
135.04399	24.3
137.02315	18.5
137.05966	24.9
139.03877	10.4
141.01846	10.1
141.05441	7.8
143.03400	10.9
147.04402	15.4
151.03931	35.1
153.05476	7.8
161.04411	10.0
163.03934	12.9
165.05495	38.0
167.07033	7.8
169.04909	7.0
177.91881	5.9
179.03418	43.0
179.05519	26.2
181.04965	25.3
191.03444	7.3
195.02927	20.1
197.04582	8.6
199.06076	40.8
206.42589	5.6
209.04425	15.3
225.03912	12.2
227.05507	6.6
243.05006	17.4
371.09805	12.3
373.11279	20.5
380.51288	5.5
389.10794	39.9
391.11740	6.8
405.10327	18.2
407.12076	35.4
423.11328	15.2
730.76056	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	811.3183
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	0.7
61.98700	0.7
68.99710	0.4
71.01242	0.4
78.95790	0.4
85.02837	0.6
89.02361	0.3
93.03341	5.3
95.04906	0.5
98.19731	0.4
101.02297	0.4
105.03401	0.4
108.02071	0.7
109.02856	1.0
113.26868	0.3
115.80589	0.3
121.02837	4.7
122.03637	14.3
123.00755	0.5
123.04403	1.0
124.01550	1.0
125.02351	0.4
133.02884	2.2
134.03595	0.6
135.04474	1.4
136.01561	1.6
137.02356	1.4
138.03130	0.5
139.03937	0.4
139.34874	0.3
145.02895	0.6
146.03638	0.9
147.04457	0.5
149.02348	18.6
149.05930	0.5
150.03133	94.4
151.03717	5.4
152.99446	0.4
161.02373	0.7
162.03108	1.0
163.03931	1.1
164.04715	3.8
165.05487	100.0
166.05832	5.0
170.00876	0.3
173.04507	1.0
175.03905	1.7
176.04666	0.5
177.01836	0.6
177.05499	1.1
179.03471	0.9
179.07057	2.9
180.04207	7.9
181.04909	1.3
189.05402	0.7
190.06252	1.6
191.05539	5.4
191.07091	1.3
192.05829	0.5
193.05022	1.2
194.05611	0.6
195.06563	78.6
196.06905	3.6
205.08600	1.5
207.06473	1.5
208.07329	1.0
209.08095	0.4
225.07726	0.8
232.72012	0.3
273.17072	0.4
285.11029	0.3
329.10287	0.5
341.10147	0.7
344.12619	0.7
353.08896	0.3
356.12463	0.5
357.13651	0.4
358.13696	0.4
359.14941	1.6
371.15018	1.1
373.12933	0.7
389.11032	0.7
389.16058	13.2
390.16257	1.2
403.13901	0.5
419.17313	0.5
493.16507	0.3
537.21234	1.8
567.22394	2.7
568.22394	0.4
585.23315	4.2
586.23853	0.9
597.23346	0.7
613.23175	1.0
614.23273	0.5
615.24414	3.1
616.24396	0.8
669.25531	0.7
763.29504	0.9
793.30707	0.5
811.32751	1.8
812.32343	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.318
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98686	0.7
69.23815	6.3
78.95789	1.0
85.02813	0.7
85.78371	0.7
93.03350	4.8
103.56127	0.7
109.02837	1.0
121.02846	5.4
122.03638	13.7
123.04433	1.0
127.59639	0.7
133.02856	1.4
134.03627	1.1
135.04387	1.2
136.01556	2.7
137.02316	1.9
145.02846	1.0
145.70987	0.7
146.03685	0.7
147.04472	0.9
149.02345	20.5
149.05980	1.0
150.03128	100.0
151.03906	9.8
151.20045	0.6
160.93124	0.6
162.03145	1.0
163.03880	1.2
164.04730	4.1
165.01845	5.9
165.05481	89.2
166.04692	0.6
166.05818	4.0
175.03873	1.6
175.14444	0.7
177.01848	1.1
177.05461	1.7
179.03412	2.2
179.07085	3.2
180.04193	9.1
181.04942	1.6
190.06244	2.3
191.05489	1.6
191.07036	1.7
193.04985	1.0
194.05803	1.6
195.06558	59.8
196.06987	3.1
202.49252	0.6
203.07159	0.9
205.08640	1.6
207.06573	2.0
208.07326	1.2
210.05403	0.7
211.09669	0.8
225.07643	5.5
252.04988	0.6
267.17810	0.8
270.08932	0.9
285.11188	1.8
286.08505	1.1
298.08334	1.0
299.09155	1.9
311.09207	0.9
314.07928	1.6
328.09354	0.8
329.10284	4.7
341.10303	5.6
342.10989	0.9
343.11761	0.9
344.12576	6.7
356.12549	2.1
357.12991	0.7
359.15005	14.8
360.15448	1.5
371.15060	9.0
372.15210	1.3
373.12872	2.3
387.14685	1.3
389.16089	9.6
403.14050	0.8
421.15582	0.7
537.20996	2.7
543.12183	0.7
552.19952	0.7
567.13983	1.2
567.22308	12.7
568.22754	2.0
585.23047	2.9
597.23413	1.3
615.24493	4.3
616.24457	1.6
715.27441	0.8
745.28571	1.2
763.29224	2.7
811.32202	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	809.433
Annotation	Caryocaroside II-7
Peak:m/z	Relative Intensity
57.03324	6.0
59.01249	4.7
61.98701	3.9
67.01752	0.9
68.99685	1.0
69.03317	0.6
71.01247	7.7
71.51511	0.4
72.99170	2.3
73.02807	1.4
75.00745	28.5
78.95750	1.0
83.01276	2.1
83.04891	0.6
84.02037	0.8
85.02821	36.9
86.03162	0.7
87.00751	4.7
88.98677	0.7
89.02309	0.9
93.03328	3.6
95.01263	2.8
96.95895	0.5
97.02806	0.5
99.00765	3.2
101.02293	1.4
103.00241	1.4
103.03867	0.8
109.02840	0.6
111.00756	1.5
111.04420	1.1
112.01575	0.6
113.02328	24.4
114.02676	0.4
115.00239	2.0
115.93237	0.5
116.01015	1.3
116.92723	1.7
117.01806	0.8
117.92740	0.6
129.01799	1.1
133.02876	0.7
134.03569	0.6
135.04407	1.8
149.02332	0.9
150.03123	1.6
151.03893	0.4
152.99496	0.5
157.01309	1.4
161.02335	0.7
165.05484	2.4
173.04425	1.6
175.02397	0.9
179.03357	0.9
187.90797	0.4
191.05539	15.2
192.05959	0.7
195.06546	1.9
209.11812	0.7
224.38475	0.4
280.48792	0.5
284.03268	0.9
285.04141	0.7
453.33533	1.9
469.33240	1.2
471.34787	13.1
472.34958	2.3
571.36182	0.6
585.38135	1.2
603.39276	1.8
647.37860	3.3
648.39966	0.6
689.30011	0.5
809.43304	100.0
810.43628	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	811.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
59.74130	0.2
63.74802	0.3
68.99705	0.3
70.84852	0.5
71.01280	0.2
85.02826	0.3
93.03331	4.2
94.03710	0.3
95.01260	0.7
95.04939	0.6
98.41931	0.2
105.03357	0.4
107.04914	0.3
108.02076	1.0
109.02843	0.8
117.03379	0.3
119.04920	0.4
121.02842	6.2
122.03626	15.2
123.00793	0.7
123.04482	1.3
124.01585	1.2
132.02065	1.1
133.02849	2.5
134.03647	3.1
135.04375	0.8
136.01553	9.0
137.02362	2.0
138.03122	1.0
139.03929	1.2
145.02873	2.2
146.03667	2.7
147.04425	2.1
148.01588	0.4
149.02347	28.7
149.05983	3.2
150.03123	100.0
151.03922	26.0
152.04366	1.0
153.05489	0.8
159.04427	0.4
160.05226	0.3
161.02335	1.2
161.06017	1.1
162.03130	2.2
163.03934	1.8
164.04684	6.2
165.05475	78.4
166.02528	0.3
166.05830	4.0
167.03314	0.4
168.04219	0.8
173.02411	0.2
174.03140	0.7
175.03903	2.4
176.04643	0.9
177.01891	0.6
177.05487	4.0
178.02658	0.3
178.06126	0.4
179.03432	0.8
179.07054	5.1
180.04187	7.4
181.04985	1.2
188.04712	0.9
189.05492	1.5
190.06261	2.4
191.03632	1.2
191.05464	1.0
191.07001	1.7
192.04308	1.1
193.04970	1.6
194.05766	2.7
195.06546	35.4
196.06915	1.7
203.07104	0.6
205.05061	0.4
205.08646	2.8
206.05745	0.9
206.08914	0.4
207.06534	2.9
208.07281	1.7
209.07912	0.2
221.08156	0.9
222.08856	0.7
223.06065	0.5
223.09601	0.3
251.09212	0.3
272.10834	0.2
295.05817	0.2
313.10654	0.3
324.09518	0.4
327.08755	0.4
328.09036	0.5
329.10040	0.6
339.08652	0.3
339.12439	0.4
341.09982	0.3
342.11099	0.3
343.11688	0.4
345.12961	0.3
353.13885	0.3
355.11398	0.3
356.12567	0.3
357.13321	0.8
358.13657	0.6
359.14526	0.6
369.13452	0.7
370.13797	0.6
371.14258	0.7
373.12970	0.8
374.13544	0.6
375.14282	0.5
387.14441	0.8
388.15408	0.6
389.16022	9.3
390.16296	0.8
403.13824	0.5
418.16669	0.2
419.17044	0.9
421.14868	0.4
473.17950	0.3
491.16843	0.3
492.17300	0.3
507.19086	0.2
523.19623	0.3
536.20569	0.5
537.21515	7.5
538.21100	0.9
544.04535	0.3
552.19958	0.7
553.20703	0.5
556.64142	0.2
565.20233	0.8
566.21283	0.8
567.22339	10.8
568.22162	1.6
585.23407	3.1
586.23676	0.5
596.22400	0.3
597.23114	1.0
613.22418	0.9
614.23627	1.3
615.24347	3.6
616.24561	0.6
621.23035	0.8
669.25220	0.9
685.26068	0.4
715.27631	7.5
716.27765	1.8
727.27698	0.5
745.28699	3.2
746.28595	0.7
763.29584	2.4
764.30115	1.0
775.29163	0.6
793.30621	1.3
794.30554	0.4
811.31671	1.9
812.31427	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
62.25269	0.7
64.78864	0.6
82.63206	0.6
93.03327	3.5
98.20542	2.4
109.02732	1.2
118.52972	0.6
119.89510	0.7
121.02715	2.3
122.03607	7.3
132.01944	2.0
133.02739	0.9
134.03531	0.8
136.01526	1.5
137.02353	4.8
145.02847	0.8
146.03532	1.2
149.02341	13.7
149.05879	0.8
150.03130	40.7
151.03639	2.9
160.01430	3.2
161.02261	1.4
162.03117	1.3
163.03845	1.4
164.00955	0.8
164.04704	5.3
165.01843	20.3
165.05486	41.2
166.05661	1.3
173.04387	1.6
175.03812	2.3
177.01833	0.6
177.05374	2.5
179.03455	5.9
179.07111	4.0
180.04192	16.9
181.04726	1.2
190.06210	1.8
191.05510	5.0
194.05653	1.4
195.06566	58.7
196.06810	2.2
197.05956	0.7
199.03979	0.8
203.07091	1.5
205.05002	1.4
210.05157	2.1
211.07448	0.8
213.05516	0.8
222.05177	3.3
223.07501	0.8
224.08464	1.0
225.05475	1.0
225.07594	12.6
229.63840	0.8
237.05342	1.9
238.06187	3.0
239.07077	1.5
240.07996	3.7
243.06487	2.4
244.07346	0.8
250.06134	1.0
251.07034	1.9
252.07741	0.9
253.05066	1.6
253.08592	1.5
255.06590	1.2
255.10316	3.3
256.07272	2.3
259.06073	0.9
265.05103	0.8
266.05649	1.3
267.06677	3.3
267.10126	1.1
268.07397	15.2
269.07907	1.0
271.09912	0.9
279.06519	2.8
280.07315	5.1
281.07986	1.9
282.05206	0.9
283.06158	2.4
283.09677	11.6
284.06897	4.0
284.09692	1.3
291.06699	1.0
293.08127	2.9
294.05231	1.9
294.08670	1.5
295.06253	4.2
295.09445	1.2
296.06903	6.9
297.07788	3.3
299.09247	4.9
300.09583	1.4
307.06107	1.9
308.06955	10.2
308.10291	1.5
309.07645	10.7
310.08188	1.0
311.05548	2.1
311.09192	5.0
312.06445	12.9
312.09872	1.5
313.06848	1.0
313.10809	1.3
321.07794	1.6
322.08304	4.4
323.09238	15.0
324.06290	5.8
324.09946	10.4
325.07068	1.5
325.10663	1.8
326.04550	0.8
326.07968	3.1
326.11359	1.2
327.08734	32.5
327.12180	1.7
328.09119	3.3
337.10782	3.0
338.11569	5.5
339.08752	51.2
339.12436	6.4
340.09155	4.1
341.10278	4.8
342.11057	35.8
343.11703	5.4
353.10162	1.2
354.11099	14.6
355.11758	3.4
356.12408	2.1
357.13422	91.4
358.13766	9.3
369.13416	100.0
370.13721	10.3
373.12891	25.1
374.13351	2.0
387.14520	1.0
403.13959	0.9
419.70490	0.7
421.15155	10.1
422.15152	1.2
565.20782	9.1
566.21497	2.0
613.22778	4.5
701.26917	1.5
713.26849	2.0
731.27771	1.3
761.28693	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	809.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	1.4
61.98685	1.5
70.94495	0.8
70.94812	0.8
71.01254	0.8
85.02847	0.8
85.15717	0.5
87.00771	1.1
93.03320	4.5
95.01257	0.8
101.02294	1.0
102.76232	0.6
108.02067	0.8
109.02843	1.3
113.43983	0.5
116.92763	2.3
121.02870	3.7
122.03616	8.1
123.00756	1.3
123.04440	0.7
132.02074	1.7
133.02881	1.0
135.04430	1.4
136.01540	1.7
137.02345	5.7
138.03139	0.6
146.03633	1.3
149.01242	0.9
149.02350	13.4
150.03128	55.9
151.03673	2.0
153.05605	0.6
159.04349	0.6
160.01523	3.2
161.02344	1.1
162.03125	0.8
163.03943	1.4
164.01105	0.8
164.03494	0.6
164.04652	3.6
165.01840	27.9
165.05476	52.3
166.02350	1.5
166.05826	2.3
173.04419	0.8
175.03934	3.0
176.04671	0.8
177.01833	1.3
177.05481	2.3
178.47855	0.5
179.03401	6.5
179.07033	3.7
180.04196	23.1
180.05794	1.2
181.04698	1.3
188.04634	0.7
190.06271	2.0
191.05531	5.8
192.04335	0.7
192.06039	0.8
194.05746	2.0
194.25751	0.6
195.02815	1.7
195.06554	78.5
196.06912	3.6
197.59035	0.5
203.07208	0.8
207.06519	1.0
208.03703	1.1
209.06197	0.9
209.08069	1.1
209.11685	0.6
210.05263	3.6
220.07339	1.1
221.05995	0.6
221.07909	0.6
222.05264	2.0
224.06520	0.8
225.07619	26.6
226.08015	1.1
227.06975	0.8
237.05574	0.8
238.06311	1.8
239.07095	1.6
240.07875	2.4
243.06615	1.6
244.07301	0.8
249.05504	0.8
250.06294	0.8
251.06950	1.0
252.07768	0.9
253.04996	1.0
253.08528	0.9
254.05647	0.7
255.10321	1.5
256.07397	1.4
259.06210	0.8
265.05011	0.7
265.08914	0.7
267.03159	0.6
267.06625	2.6
268.07376	12.0
268.10077	1.1
268.34326	0.6
269.07913	1.5
271.06183	0.8
271.09674	0.7
278.05710	0.8
279.06668	1.9
280.07397	3.5
281.04385	0.5
281.07898	1.5
283.06305	1.6
283.09744	8.4
284.06857	4.1
285.07678	0.8
291.06564	0.9
293.08154	1.9
294.05356	1.3
294.08688	1.3
295.06052	2.3
295.09198	0.7
296.06915	4.8
297.07767	3.1
298.08261	0.7
299.05789	1.2
299.09247	4.1
300.09686	1.0
307.06107	1.8
308.07001	7.8
308.10324	1.0
309.07642	8.2
310.08398	0.8
311.05640	1.6
311.09256	3.9
312.06403	9.9
312.09842	1.0
313.06830	1.2
313.10645	1.2
314.08014	1.1
321.07816	1.3
322.08459	4.4
323.09216	16.1
324.06305	5.7
324.10004	8.7
325.07059	0.9
325.10541	1.7
326.07904	2.3
326.11746	1.9
327.08734	28.7
327.12158	1.3
328.09152	2.4
329.10220	1.5
337.10791	1.6
338.11636	5.8
339.08707	47.9
339.12314	5.6
340.09097	4.7
341.10226	2.9
341.13980	1.0
342.11063	33.4
343.11728	4.5
353.10095	2.2
354.11084	13.1
355.11615	3.3
356.12692	1.8
357.13422	94.0
358.13794	8.6
369.13406	100.0
370.13742	10.0
373.12897	7.8
387.14426	0.9
411.46628	0.6
416.05035	0.7
421.15262	4.4
491.17224	0.8
535.19501	1.5
565.20740	14.8
566.21326	2.3
583.22040	1.0
613.22906	8.3
614.23547	0.9
701.26440	0.8
713.26221	1.0
731.27222	1.2
761.27991	2.4
762.28174	0.9
809.30280	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	809.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
57.88870	0.5
59.01263	1.2
60.68113	0.5
61.23002	0.5
61.98731	1.6
68.99708	0.6
69.23073	6.1
71.00903	0.6
71.01272	0.8
85.02836	0.8
93.03333	5.8
94.34927	0.6
95.04906	1.0
105.03371	0.8
108.02079	1.3
109.02871	1.7
116.92752	0.9
121.02845	7.2
122.03627	15.2
123.00797	1.0
123.04435	2.1
124.01577	0.6
127.72182	0.6
132.02094	0.9
133.02864	1.9
134.03632	2.3
134.97568	0.5
135.04442	1.6
136.01558	5.5
137.02371	5.4
138.03156	1.0
145.02902	0.8
146.03638	1.9
147.04395	1.3
149.02347	33.3
149.05975	3.1
150.03134	100.0
151.00250	1.8
151.03931	18.2
152.04637	1.6
153.01859	0.6
160.01483	0.6
161.02324	0.9
162.03085	2.7
164.04700	6.0
165.01797	2.1
165.05481	91.7
166.02628	5.1
166.05841	3.5
167.03436	0.9
173.04453	0.8
175.03909	1.6
176.01004	0.7
177.01875	1.5
177.05528	3.8
178.02571	0.8
179.03450	1.4
179.07030	7.6
180.04196	7.0
181.04982	7.8
187.03864	1.2
187.55879	0.6
190.06316	0.8
191.05574	3.8
192.04178	1.0
192.05963	0.7
192.41615	0.5
193.04926	0.9
195.06558	52.0
196.06892	2.6
204.04095	0.8
205.04947	1.8
207.06522	1.4
219.06482	1.4
220.07347	0.9
225.07626	0.7
231.44557	0.6
266.05704	0.7
267.06070	0.6
269.17844	0.5
278.05725	1.4
279.06189	1.7
306.05273	1.0
307.05594	1.7
308.06180	0.7
309.07257	0.6
310.04584	0.6
311.04852	0.6
315.08426	0.8
321.07687	3.8
322.08105	3.7
323.08383	2.1
325.06995	2.6
326.07266	2.4
327.08163	1.3
327.95331	0.6
329.10110	1.0
336.09808	1.5
337.06860	1.4
337.10489	1.3
338.07382	2.6
338.10989	1.2
339.07867	2.0
340.09332	3.1
341.09912	3.5
342.10052	0.9
351.92688	0.5
352.09372	0.7
353.09430	0.7
354.10745	0.8
355.11786	5.0
356.12222	6.1
357.12759	2.9
367.07709	0.6
367.11884	7.8
368.08029	0.6
368.12198	9.2
369.12503	5.5
371.11179	0.7
386.13974	0.8
387.09973	0.6
387.14563	2.8
402.12616	0.6
403.14038	0.7
417.15555	7.9
418.15976	0.8
447.86481	0.6
535.17072	0.8
551.18872	0.8
564.19446	1.9
565.20728	20.7
566.21490	2.6
576.02478	0.6
595.21210	2.3
613.22687	4.6
614.23053	0.8
619.21173	1.6
713.26025	8.6
714.25842	1.6
725.25635	0.8
731.25305	1.1
743.27197	3.5
756.85876	0.7
761.27014	2.3
791.27466	0.9
809.30304	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	808.4857
Annotation	Unknow
Peak:m/z	Relative Intensity
57.09647	0.5
61.98701	100.0
63.64341	0.5
84.01687	0.4
85.34698	0.4
86.20362	0.4
99.73890	0.4
777.50983	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	0.7
58.00465	3.1
58.78939	0.5
59.01247	68.8
60.01570	2.2
61.01666	1.2
67.01761	7.0
68.99680	12.7
69.03320	30.4
70.00017	0.6
70.03654	1.3
71.01248	48.1
71.50973	0.8
72.01576	1.7
72.99170	3.8
73.01682	0.8
73.02821	2.0
83.01241	1.8
85.02820	7.4
86.03136	0.5
87.00766	3.4
89.02311	65.4
90.02633	2.9
91.02744	1.6
93.03335	2.1
95.01270	4.2
95.04895	30.5
96.05231	2.7
96.95921	0.5
97.02837	0.8
99.04388	1.6
101.02316	42.4
102.02630	3.1
103.02735	0.8
106.04083	0.6
107.03404	0.8
111.00755	15.7
112.01121	1.4
113.02323	19.3
114.02682	1.3
119.03383	30.7
119.04895	2.9
120.03729	1.6
120.05218	0.8
121.02839	100.0
121.06469	4.0
122.03169	10.6
123.03416	1.6
123.04397	18.5
123.77514	0.5
124.04744	2.4
125.02280	0.7
127.03895	10.8
128.04243	1.2
131.03387	3.6
135.04420	0.5
136.06999	0.6
137.06000	3.0
137.15524	0.5
139.00253	17.2
139.03908	2.1
140.00664	1.0
143.03381	7.9
147.04407	5.7
149.02332	4.6
149.04449	3.2
149.05840	0.6
151.03972	0.9
151.07547	0.6
153.01869	1.2
153.05443	0.7
161.04457	10.0
161.05841	0.7
162.04808	0.6
163.03899	1.2
165.05476	19.5
166.05901	2.6
167.05974	0.7
170.13428	0.5
179.05553	61.9
179.07065	11.2
180.05867	6.7
180.07358	1.2
181.04974	3.2
181.06113	2.2
191.03679	3.6
191.05350	3.7
192.05885	1.0
195.06508	0.5
209.04459	4.0
213.07652	0.7
223.06056	44.9
224.06404	7.1
225.04309	0.9
225.06750	2.7
228.70860	0.4
229.70459	0.4
230.78990	0.5
241.07130	1.4
251.44411	0.5
304.00537	0.5
333.08319	3.0
371.09805	45.4
372.10165	11.1
373.10452	7.7
403.12430	41.6
404.12869	10.1
405.13251	10.2
542.47400	0.5
631.18744	0.6
649.76099	0.5
719.29974	0.5
828.84912	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.308
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	41.0
61.98705	45.2
64.70963	1.6
67.01746	3.1
69.03326	2.3
71.01254	5.1
71.31463	4.5
71.40967	2.1
73.62691	1.5
75.56297	1.7
85.02843	6.9
87.00778	2.8
89.02332	3.3
93.03339	11.7
96.95886	13.2
101.02333	4.2
121.02835	6.6
122.03644	10.0
127.03977	2.8
128.03415	5.0
128.90016	4.9
129.01846	4.2
133.02855	5.2
135.04390	4.3
136.01537	2.7
137.02359	4.4
148.02373	1.8
149.02357	29.6
150.03134	90.7
151.03856	3.4
153.01901	1.7
155.03419	3.9
164.04671	9.3
165.01810	8.1
165.05496	100.0
166.05898	4.4
173.04532	3.3
177.01889	3.7
178.23444	1.7
179.03452	5.2
179.07019	3.1
180.04231	10.1
181.04945	5.2
186.92519	2.4
191.05518	28.0
195.06570	63.2
196.07092	2.8
212.79736	1.6
219.83385	2.0
225.07675	6.0
240.04279	1.7
255.02933	4.2
271.09741	3.9
283.02478	2.7
285.11411	4.0
295.06216	3.3
298.08224	2.5
299.09296	2.4
310.08627	3.2
313.10605	6.7
325.10834	4.2
327.12460	3.0
328.13168	5.5
329.10269	5.7
330.11102	2.5
341.10269	7.4
342.10599	2.2
343.11652	3.0
343.15579	4.7
344.12637	11.4
351.07278	2.8
356.12585	5.9
357.13351	2.0
359.14917	20.9
371.15009	14.9
389.15900	5.7
463.08630	2.6
507.20209	9.2
537.21234	52.3
538.21655	8.3
555.22412	8.5
567.22443	7.4
585.23389	94.7
586.23663	15.5
807.26050	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	807.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
57.60942	1.0
59.00997	1.1
59.01250	12.9
61.98383	1.7
61.98701	33.8
68.90962	0.8
69.30183	1.9
69.30601	5.0
72.41422	0.8
73.99364	0.9
93.03324	3.1
108.02728	0.8
109.02838	1.2
121.02813	2.8
122.03638	10.3
124.01558	1.0
133.02805	2.1
136.01506	0.9
137.02321	3.1
138.02670	1.0
149.02353	14.9
150.03127	90.1
151.03490	5.2
164.04712	4.7
165.01863	12.9
165.05481	100.0
166.02185	5.0
166.05829	4.8
167.02367	0.7
179.03394	2.4
180.04205	11.7
181.04927	3.8
182.05331	0.9
191.05455	2.2
195.06555	89.6
196.06892	8.4
197.07080	0.8
202.80905	0.7
225.05559	0.9
225.07657	5.3
226.07953	2.4
242.09370	0.9
257.11621	1.0
270.09012	1.1
283.09747	1.6
285.11258	2.8
298.08221	0.9
299.08975	1.9
313.10840	1.3
314.07819	1.8
326.07825	1.2
327.12457	1.1
329.10239	5.4
341.10352	8.6
342.10767	1.1
344.12589	10.0
356.12546	4.6
357.12991	1.0
359.14981	27.3
360.15387	2.1
369.13107	0.9
371.10449	1.4
371.14978	22.6
371.19647	1.6
372.15329	2.2
403.12888	0.9
417.15305	2.2
418.15848	3.3
419.15765	2.3
507.19919	1.5
537.21045	1.8
585.23370	46.0
586.16486	0.9
586.23871	9.1
595.21844	1.3
596.22089	2.3
597.22577	4.6
644.23981	0.9
645.24518	3.2
658.19354	1.1
723.20190	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03338	0.2
58.00471	0.2
59.00956	0.2
59.01248	4.5
66.85342	0.1
67.01744	0.4
68.48499	0.1
68.99700	0.3
69.03321	3.1
70.85291	0.1
71.01249	3.6
71.37875	0.1
72.86383	0.1
72.99171	0.4
73.02811	0.4
81.03324	0.4
83.01263	0.2
83.04883	0.3
85.02821	8.7
87.00745	5.6
89.02319	1.3
93.03337	3.2
95.01246	0.3
97.02822	0.2
99.00744	0.2
99.04388	0.3
101.02309	1.3
109.02842	0.8
111.00771	0.2
111.04398	1.1
113.02341	0.7
114.99483	0.3
115.00261	4.6
119.03351	0.4
121.02841	0.3
123.04333	0.2
125.02263	0.2
127.03903	2.3
137.02333	0.2
139.00298	0.3
143.03343	0.2
143.07025	0.5
149.02338	0.2
151.03874	0.2
155.03404	0.4
157.01332	0.2
169.08624	0.2
171.02890	0.6
173.04443	1.4
175.02394	5.9
176.02690	0.2
176.59836	0.1
179.05504	0.2
181.05016	0.3
185.00822	0.2
187.06058	0.3
191.05531	100.0
192.05872	3.2
193.96408	0.1
195.10219	0.2
203.01912	0.5
207.88188	0.2
213.11227	0.9
239.09195	0.9
282.61603	0.2
403.21744	0.2
419.15536	4.6
419.20782	0.3
420.15948	0.4
457.13663	0.2
532.05682	0.1
615.15479	1.1
631.18726	10.2
632.19135	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	807.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00440	0.3
59.01248	2.4
59.09988	0.2
62.03965	0.3
65.92594	0.2
67.01762	0.3
68.35252	0.2
68.99637	0.2
69.03312	0.7
71.01244	2.9
72.99187	0.4
73.02811	0.4
83.01205	0.4
83.04900	0.3
85.02819	7.7
87.00745	5.1
89.02335	0.4
93.03326	3.8
99.00787	0.3
101.02305	0.8
109.02802	0.4
111.00736	0.2
111.04392	1.1
113.02323	0.5
115.00264	4.4
121.02839	0.4
127.03913	1.8
139.00237	0.4
165.05458	0.3
166.95546	0.2
170.83517	0.2
171.02919	0.6
173.04451	1.3
175.00975	0.5
175.02402	6.2
182.73155	0.3
185.00832	0.3
191.05539	100.0
192.05869	3.4
203.01909	1.1
254.35049	0.2
293.73770	0.3
343.51801	0.3
373.06778	0.3
373.11469	0.4
455.07904	0.3
559.21844	0.3
566.74225	0.3
615.15833	0.9
631.18799	10.7
632.19373	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	805.5106
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03301	0.5
59.01244	2.8
60.80546	0.4
61.98685	0.7
64.78540	0.4
69.03286	0.3
71.01258	2.2
71.50989	0.4
73.02821	0.4
78.95770	1.4
80.96355	0.5
83.01256	0.4
85.02821	0.7
89.02322	2.2
101.02332	2.3
111.08004	0.6
113.02306	1.3
116.22874	0.3
119.03366	0.6
152.99529	0.6
161.04424	1.4
167.63062	0.3
171.10136	0.5
179.05510	0.6
179.14268	0.6
187.03679	0.3
195.13826	7.7
205.12253	0.5
211.13339	0.5
223.13370	5.8
228.13516	0.7
235.08083	1.2
238.54680	0.4
253.09241	17.0
253.11906	0.8
254.09506	1.1
256.13248	0.7
265.21771	0.7
275.20087	6.2
276.20441	0.5
291.19675	0.5
293.21216	100.0
294.21548	7.7
346.11383	0.4
391.20639	0.4
492.22647	0.6
529.30145	0.9
569.42078	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	806.236
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00467	0.1
59.01249	2.7
60.01580	0.2
61.01669	0.2
61.98700	100.0
62.26374	0.1
62.98404	0.2
67.01768	0.1
68.99674	0.6
69.03329	0.4
69.17752	0.1
69.18095	0.9
70.00015	0.1
71.01253	1.6
72.01601	0.2
72.99188	0.2
76.82536	0.1
83.01271	0.1
83.50047	0.1
84.02042	0.1
85.02818	0.5
86.03140	0.1
87.00759	0.2
88.98691	0.1
89.02316	2.3
90.02660	0.2
91.02777	0.2
93.03336	0.2
95.01265	0.4
97.02848	0.2
101.02322	1.2
102.02685	0.2
103.02757	0.1
109.02830	0.1
113.02327	0.6
114.02651	0.1
116.92740	0.1
119.03408	0.7
119.04945	0.1
121.02834	0.4
121.03667	0.1
123.04426	1.1
124.04767	0.3
125.04880	0.1
133.02884	0.1
134.42532	0.1
135.04451	0.1
137.02370	0.1
143.03427	0.2
144.10814	0.1
147.04427	0.1
149.02332	0.5
149.05975	0.1
150.03165	0.9
150.06293	0.1
151.03825	0.1
154.47276	0.1
155.03391	0.5
156.03777	0.3
157.03835	0.1
161.02371	0.1
161.04454	0.2
161.05838	0.1
162.03171	0.1
162.04831	0.1
164.04758	0.1
165.01848	0.5
165.05457	1.1
166.02454	0.2
166.05824	0.2
173.04550	0.2
173.57529	0.1
175.03999	0.1
177.05508	0.1
179.03462	0.1
179.05527	1.1
180.04207	0.3
180.05896	0.3
181.04729	0.1
181.06122	0.3
183.02979	0.1
191.05531	1.0
191.07124	0.1
192.05922	0.1
193.05042	0.3
194.05348	0.2
195.06615	1.2
196.06866	0.1
198.15541	0.1
225.07664	0.5
226.08020	0.2
253.04625	0.1
268.87625	0.1
298.39328	0.1
305.04633	0.1
344.12909	0.1
355.10562	0.3
356.10767	0.2
357.10883	0.3
358.11127	0.1
359.15265	0.3
369.13480	0.1
370.13635	0.1
371.15118	0.2
373.11420	0.1
375.12097	0.2
415.12531	0.2
416.12997	0.2
417.12875	0.1
512.15247	0.2
514.15503	0.1
537.21320	0.2
583.21393	0.1
584.21185	0.3
585.23615	0.2
746.24530	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.5106
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	0.9
58.29596	0.2
59.01251	2.0
61.98707	1.6
69.03322	0.5
71.01248	0.6
71.04889	0.4
71.21746	0.4
71.50399	0.1
73.96478	0.2
75.00745	0.2
78.95778	1.2
79.95612	0.3
80.96381	0.9
83.04900	0.6
85.02814	0.3
89.02326	0.2
91.16550	0.2
93.03329	0.5
94.97970	0.3
95.04884	0.5
96.95895	0.5
97.06458	0.5
101.02322	0.4
109.06446	0.4
111.08043	8.5
112.08391	0.4
113.09599	0.6
119.04910	0.2
121.02832	0.2
121.06469	0.2
123.08067	0.3
135.04369	0.2
135.11671	0.4
137.09625	0.6
137.34262	0.2
139.11160	0.3
141.08981	0.2
149.09615	0.3
152.99510	0.5
159.11713	0.2
161.04454	0.2
163.11200	0.2
164.98453	0.2
165.12724	0.3
167.09464	0.2
167.10703	1.8
169.12260	0.2
171.10170	0.3
177.12761	1.8
178.13062	0.2
179.10703	1.5
188.09702	0.2
191.05531	0.9
193.15955	0.3
195.13841	5.9
196.14133	0.2
203.14394	0.2
209.11832	0.2
225.00824	0.2
229.19534	0.2
247.20653	2.5
248.20610	0.2
253.09254	0.8
253.21623	0.3
273.18649	1.0
277.21710	5.5
278.21994	0.5
291.19653	100.0
292.19995	9.8
325.84259	0.2
384.72867	0.2
616.42261	0.2
805.39288	1.0
806.40961	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	0.8
58.00449	0.6
59.01251	16.4
61.98706	9.8
68.40437	0.8
69.03322	1.9
71.01254	18.7
72.99192	1.8
73.02829	2.1
78.95776	0.7
80.02557	1.6
81.03352	2.5
83.01268	1.6
83.04900	5.9
84.02032	1.1
85.02825	7.9
85.47259	0.7
87.00739	4.5
89.02315	12.2
91.96774	0.8
93.03323	5.0
95.01303	1.4
96.95902	5.4
97.02849	2.3
99.00735	0.9
101.02322	10.8
108.02065	0.9
109.02845	1.1
111.04411	1.6
113.02328	7.0
116.92750	1.9
119.03409	3.5
121.02845	1.1
125.02325	4.5
127.03919	1.5
131.03430	1.5
132.55675	0.7
135.04451	2.1
137.02338	0.9
143.03371	2.2
150.03064	1.0
151.00380	0.8
161.04469	3.5
163.11182	3.5
165.12781	3.2
169.12219	5.1
171.10176	2.4
173.04509	2.8
179.03455	2.1
179.05518	3.6
181.12183	0.9
191.05539	31.5
191.10661	1.1
192.05872	2.3
197.11760	74.2
198.12115	4.3
199.13344	1.5
209.11769	100.0
210.12120	6.0
211.13306	1.6
221.06683	1.3
225.11417	0.8
227.12825	15.1
228.13156	1.0
229.59306	1.3
235.08231	3.5
248.20215	0.8
253.09204	1.2
255.02940	1.4
284.02985	1.1
285.03879	1.9
286.04083	1.0
287.07733	1.9
305.08737	1.5
323.09766	1.4
379.12372	5.7
397.13474	32.9
398.13733	2.7
415.14603	8.4
443.18723	1.2
577.24866	1.1
581.27551	3.4
582.27771	0.9
594.15289	1.5
595.25830	1.5
607.26300	3.2
613.30121	4.2
614.30530	1.0
769.36700	1.4
773.34790	1.2
787.36578	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	805.293
Annotation	Unknow
Peak:m/z	Relative Intensity
57.16753	0.6
59.01258	2.8
61.98702	6.1
67.01769	1.0
68.04105	0.5
68.48629	0.7
68.99697	0.8
69.40897	0.6
69.41139	1.8
69.41551	2.8
71.01263	2.0
85.02818	1.3
89.02341	1.5
93.03320	0.8
95.01283	0.9
101.02325	0.8
105.53304	0.5
107.04879	0.7
109.02838	4.3
113.02300	1.0
119.04876	0.6
121.02814	1.4
123.00794	1.4
123.04404	1.2
124.01539	0.7
132.31853	0.6
135.04431	1.2
136.01544	1.4
137.02338	23.6
138.02907	1.0
139.00253	0.8
148.01677	0.7
149.02364	1.4
150.03172	3.5
151.00258	5.9
151.03922	4.0
152.01036	0.9
152.04681	2.1
153.05496	1.1
156.90585	0.5
159.04446	0.6
164.01060	2.0
165.01845	100.0
165.05475	5.6
166.02612	18.3
166.05988	0.9
167.03305	2.1
175.03934	1.6
176.01028	0.8
177.01901	0.9
177.05479	1.4
178.02618	0.8
179.03421	21.7
180.04196	57.8
181.04982	27.3
182.05292	1.2
184.03671	1.0
187.03943	2.2
189.05530	0.8
190.02751	0.7
190.06113	0.7
191.03494	1.4
191.05521	1.4
192.04218	2.5
193.01250	0.6
193.04967	2.2
194.05771	4.0
195.02969	3.2
195.06557	64.8
196.06909	4.2
203.07117	0.7
205.04991	4.9
207.06604	2.5
209.08113	0.8
210.05276	10.4
211.05666	0.9
220.07300	3.2
221.08116	0.7
225.07631	46.5
226.08032	3.3
268.25909	0.6
341.10504	0.8
345.09808	0.7
354.11224	0.6
359.11304	1.5
369.13379	0.8
372.12250	1.2
386.13626	1.1
387.10693	2.4
387.14969	3.6
402.13364	2.3
403.13965	2.7
416.14767	2.7
417.15524	36.8
418.15826	5.6
514.86316	0.7
565.17719	1.8
583.22040	1.2
595.21832	43.6
596.22150	7.1
613.23450	1.1
625.22650	0.9
643.23950	23.1
644.24396	3.6
781.00110	0.6
805.28467	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.2933
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06720	0.9
59.01255	6.2
61.98702	57.9
64.37740	0.8
67.01765	1.3
68.99677	1.6
69.03318	1.6
69.63005	1.5
69.63403	5.6
71.01248	4.6
85.02810	3.8
87.00732	1.5
89.02306	3.8
93.03326	4.5
93.81940	1.0
95.01269	2.2
96.95886	1.7
97.02785	0.8
101.02303	3.0
102.73906	0.8
107.04915	1.3
109.02831	5.0
113.02328	2.3
119.03374	1.6
119.04901	1.0
121.02814	1.5
122.03572	1.8
123.00761	1.8
123.04385	2.8
135.04430	4.1
136.01538	2.5
137.02344	26.0
147.87305	0.9
149.02304	4.8
149.05978	1.5
150.03127	9.2
151.00258	12.6
151.03915	6.0
152.01016	1.2
152.04675	3.0
153.05424	0.9
155.03381	1.2
155.10802	1.0
161.02321	1.1
161.04372	0.8
162.03131	2.3
163.03848	2.0
164.01013	1.9
165.01845	100.0
165.05472	10.9
166.02623	38.2
166.06001	1.2
167.03244	3.0
173.04454	1.1
175.03902	2.9
177.01865	2.6
177.05406	2.7
178.02602	1.8
179.03418	25.2
179.05582	1.0
179.83650	0.8
180.04199	65.9
181.04968	42.1
182.05336	1.3
184.03685	1.2
187.03902	2.7
190.06210	1.7
191.05519	14.9
192.04149	2.7
193.04907	1.8
194.05774	4.8
195.02832	2.3
195.06554	83.6
196.06898	5.1
205.05029	5.1
206.05618	0.9
207.06572	2.4
210.05276	11.7
218.05685	0.9
219.06613	1.2
220.07465	4.1
223.05879	1.0
225.07634	66.3
226.07956	3.2
281.04312	1.0
281.07999	1.0
285.04053	1.3
294.05231	0.8
322.07867	1.4
339.08261	1.3
341.10129	1.0
354.10995	1.2
355.11740	1.4
359.11179	2.0
368.12201	1.3
369.13229	1.6
371.11292	1.3
373.11969	1.0
386.13681	1.2
387.10159	5.8
387.15146	5.2
388.11035	1.6
389.99915	0.9
402.13083	5.2
403.13641	1.7
409.15353	0.9
416.14462	3.4
417.15515	50.9
418.10773	1.0
418.15747	5.5
534.18726	1.4
535.18030	1.1
565.17688	1.8
580.19403	1.0
581.19897	1.3
582.20654	2.0
583.20825	6.2
595.21826	54.2
596.22150	9.8
643.23889	24.2
644.24182	5.3
663.59497	1.1
691.73334	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	23.2
61.98692	2.3
68.99683	1.4
69.03324	1.1
69.40825	5.0
69.41228	2.9
71.01257	3.0
82.75444	1.0
85.69015	1.1
89.02330	2.2
93.03351	4.6
95.04881	1.5
99.94749	1.0
101.02313	2.4
112.30933	1.0
113.02277	1.1
119.03361	1.2
121.02843	4.4
122.03637	11.1
123.04356	1.3
133.02869	1.7
135.04436	2.2
136.01506	1.7
137.02310	1.2
149.02350	27.0
150.03130	88.8
151.03545	4.6
164.04695	6.1
165.05481	92.1
166.05856	4.3
177.05495	1.5
179.05675	0.9
179.07077	1.2
180.04181	6.3
191.05534	7.7
195.06557	58.9
196.06915	3.1
219.06566	1.4
268.07562	1.9
269.08276	0.9
283.09811	3.5
285.03918	1.1
299.09286	1.2
307.09525	1.5
308.06787	1.8
308.10312	2.2
309.07449	1.7
309.11108	1.1
310.08237	1.2
311.08817	0.9
312.06375	1.8
322.08398	1.6
323.09167	4.0
324.06485	1.8
324.10013	2.3
325.10873	3.4
326.11539	2.9
327.08908	6.7
338.11441	1.6
339.08664	10.0
339.12503	2.5
340.09042	1.7
341.13834	3.1
342.10995	6.8
343.11630	1.5
346.56177	1.3
354.11230	4.8
355.11298	1.7
357.13434	30.4
358.13745	4.0
369.13443	35.7
370.13705	4.0
387.14334	1.2
472.14865	2.1
487.17618	2.2
505.18338	4.4
506.18890	1.1
517.17859	1.8
535.19708	52.0
536.20209	10.0
553.20984	1.4
565.20728	2.4
583.21826	100.0
584.22107	17.6
590.20813	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	805.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
57.72279	0.3
59.01252	3.3
61.98704	0.5
67.01789	1.2
68.99710	0.5
69.03342	0.5
71.01257	1.1
74.42435	0.4
82.65559	0.3
83.01258	0.4
85.02831	1.1
87.00756	0.6
88.98670	0.6
89.02333	0.7
93.03338	1.9
95.01286	0.7
101.02318	0.8
101.29373	0.3
104.99248	0.4
105.03326	0.5
107.04903	0.5
108.78597	0.4
109.02837	4.5
111.00778	0.7
113.02357	0.4
115.32232	0.4
119.04920	0.3
121.02852	1.4
123.00780	1.7
123.04386	0.8
124.01580	0.7
125.02326	0.8
133.02815	0.4
135.04457	1.2
136.01526	2.3
137.02342	25.4
137.23868	0.4
138.02991	0.6
139.00322	0.6
139.03929	0.4
149.02348	1.6
150.03140	3.3
151.00264	8.1
151.03915	4.4
152.01042	1.6
152.04677	2.5
153.01855	1.0
153.05444	0.7
154.02553	0.4
159.04402	0.8
161.02376	0.8
162.03096	0.9
163.03920	1.3
164.01031	2.7
164.04648	0.9
165.01843	100.0
165.05470	4.6
166.02623	27.5
167.03360	2.6
173.04341	0.5
175.03949	1.9
176.04771	0.6
177.01881	2.5
177.05531	1.4
178.02605	1.1
179.03421	23.8
179.06976	0.7
180.04196	57.7
181.04977	32.1
182.05339	1.4
184.03719	1.0
187.03938	1.7
190.02650	0.8
190.06264	1.2
191.03516	1.3
191.05540	5.5
191.07109	0.5
192.04146	1.9
192.05853	0.8
193.04968	1.4
194.05769	4.4
195.02991	2.9
195.06552	70.1
196.06943	2.9
202.06250	0.7
203.03502	0.6
205.04988	6.1
205.08537	0.6
206.05659	0.8
207.06528	2.0
209.04515	0.5
209.08199	0.7
210.05276	11.0
211.05705	0.8
212.48531	0.4
219.06578	0.8
220.07352	4.5
221.08014	0.8
225.07631	57.3
226.07985	2.5
269.04620	0.7
285.04181	0.7
291.09045	0.4
337.09302	0.5
341.10077	0.5
344.09036	0.7
345.09845	0.5
352.51712	0.4
359.11298	1.3
369.09506	0.5
371.11087	0.9
372.12335	1.0
386.13718	0.9
387.10715	4.7
387.14633	4.5
388.11014	0.6
399.13928	0.5
399.98169	0.4
402.13046	3.2
403.14218	1.9
416.14740	3.4
417.15527	45.7
418.15921	5.8
447.08957	0.5
535.16150	0.5
550.17816	0.5
553.20917	0.8
565.17676	2.1
580.19452	1.5
595.21832	47.9
596.22211	8.7
613.22778	1.0
625.22821	1.0
643.23932	24.3
644.24103	4.1
805.29468	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89412	2.3
57.03331	6.1
58.00453	2.8
58.66325	2.0
59.00956	5.1
59.01248	100.0
62.69177	2.2
67.01774	2.7
68.01289	4.2
69.03326	27.8
69.24973	15.0
69.25398	8.7
70.10338	2.4
71.01254	74.2
72.99184	4.0
74.68374	2.4
80.49879	2.4
82.02840	7.4
85.02824	19.5
87.00742	6.8
89.02319	78.3
93.03337	14.2
94.02869	3.3
95.01254	6.7
95.04906	3.9
97.02824	90.2
101.02328	29.7
107.04893	4.4
113.02321	22.6
119.03380	27.6
120.04443	8.2
121.02829	9.1
123.04403	22.2
126.01868	7.9
126.05476	8.6
131.03426	3.1
132.04422	16.7
135.04411	15.5
137.05930	3.4
141.01834	6.7
143.03357	8.6
144.04411	4.4
147.04417	4.6
149.05992	12.3
152.03380	4.4
158.06018	6.2
160.92183	2.5
161.04456	9.8
161.05933	3.4
162.05536	12.9
165.05476	4.2
167.07043	4.3
176.07094	3.2
179.05545	37.1
179.07008	4.1
180.06528	8.6
188.07178	4.0
193.04955	17.3
206.04469	10.6
206.08145	38.5
207.08318	3.1
250.07162	38.5
288.03198	2.8
371.09778	4.3
373.11349	38.5
374.11578	5.0
430.13489	92.4
431.13904	6.4
823.11523	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	803.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	3.8
59.01250	7.1
60.73853	0.8
61.98679	2.5
63.02257	1.4
64.20220	0.7
65.00196	10.7
67.01751	1.8
68.78101	0.8
68.99699	4.7
69.03311	2.1
69.08069	0.8
69.69057	6.1
71.01259	5.3
73.02789	0.9
78.95747	3.2
80.96387	0.9
81.03319	1.4
83.01256	5.6
85.02818	4.6
87.00739	3.5
89.02313	5.4
91.65832	0.8
93.03323	6.9
95.01255	6.8
95.04856	0.8
96.95886	3.5
97.02831	1.7
98.20495	1.7
101.02324	10.5
107.01268	12.1
107.14290	0.9
109.02840	1.2
111.04430	1.4
119.03381	1.1
119.04877	3.7
121.02805	2.8
121.06467	1.3
123.04380	4.0
124.01548	2.8
125.02330	35.8
126.02686	1.0
127.03874	2.2
133.02852	1.9
134.03578	1.2
135.04408	5.7
137.02322	3.0
139.00270	1.3
140.90193	0.8
149.02310	3.2
151.00273	31.2
151.03908	0.8
152.00595	1.1
152.99489	2.1
153.05498	1.4
155.03391	16.0
155.10820	1.0
158.03612	1.0
159.04437	1.7
161.02333	3.4
163.03836	0.9
165.01804	3.9
165.05521	1.2
167.03366	4.5
172.05183	3.5
173.04408	4.2
173.05797	1.4
174.03125	3.0
175.03871	1.1
177.01854	2.1
179.03363	3.0
179.05464	1.2
185.06049	2.1
186.06804	5.7
188.04684	1.2
191.05528	35.9
192.05885	2.4
199.07518	1.9
199.09459	1.0
200.04662	1.6
209.11644	1.0
210.06693	1.7
211.03978	1.9
212.04703	8.9
225.05463	1.9
227.03357	1.7
239.07033	1.4
240.04305	1.9
241.04706	1.2
244.03705	2.4
251.07141	1.3
253.05080	1.2
253.15749	1.1
255.02992	2.3
256.03537	2.0
269.04303	1.0
276.07983	1.9
277.05276	0.9
280.36374	1.1
281.15356	2.9
283.02405	1.8
283.13327	1.1
284.03256	8.5
285.03995	6.7
289.08609	1.4
295.02469	1.2
296.03168	3.3
297.04099	1.1
297.11771	1.6
297.14926	17.7
298.15298	1.5
308.02991	0.9
309.04083	9.1
311.12878	1.3
315.15979	10.9
316.16342	1.2
320.06799	1.3
323.12961	2.1
325.14407	6.6
333.03891	1.4
337.03430	3.6
341.13947	9.8
342.14413	1.2
343.15479	18.7
344.15741	2.1
348.06253	1.7
353.08789	2.5
367.15421	5.1
368.85059	1.0
369.13419	59.8
370.13666	6.5
391.15536	6.6
433.13058	1.4
449.15768	5.2
467.17041	5.7
468.16980	1.3
476.14767	1.1
477.15503	3.9
505.94238	1.1
571.19519	1.0
571.27319	5.2
641.32043	1.1
706.16559	1.0
771.28802	2.2
785.26587	22.9
786.26862	2.8
791.71118	0.9
803.27612	100.0
804.28052	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	803.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	3.9
57.09055	1.0
59.01254	7.8
60.40015	1.0
61.98696	9.1
62.81066	1.2
63.02248	1.7
63.58345	1.1
65.00200	11.5
67.01765	2.2
68.99702	5.2
69.03310	3.2
69.22334	4.3
69.22755	7.3
71.01254	6.8
73.02789	1.1
78.95777	3.8
80.96387	1.4
81.03337	1.3
83.01259	6.3
85.02821	6.3
87.00753	2.6
89.02311	5.0
93.03332	8.9
94.03652	1.5
95.01284	6.8
96.95878	11.0
98.20573	2.1
101.02322	11.7
107.01266	13.1
109.02821	1.5
109.06444	1.9
111.00739	1.5
113.02329	2.3
119.03368	1.5
119.04893	4.5
121.02815	3.8
123.04374	2.5
124.01538	2.5
125.01460	2.0
125.02342	36.7
127.03922	1.9
132.70541	1.1
133.02809	2.8
134.03690	1.2
135.04387	3.8
137.02318	2.3
142.93259	1.1
149.02342	2.6
151.00279	32.0
152.00934	1.1
153.05475	1.2
155.03406	12.5
158.03543	1.0
159.04443	1.2
161.02283	3.2
161.04489	1.4
162.02998	1.1
163.03844	2.9
165.01776	2.3
167.03377	2.8
171.10194	1.0
172.05232	1.6
173.02252	1.1
173.04526	5.4
174.03079	4.4
177.01749	1.7
179.03438	1.9
179.05414	1.7
185.05965	2.3
186.06863	5.2
191.03740	2.0
191.05544	39.2
192.05841	4.5
198.03098	1.2
199.03961	1.5
199.07655	2.2
199.09647	1.4
201.05438	1.2
209.11742	2.0
211.04022	1.6
212.04716	7.9
213.05426	1.3
214.17430	1.2
225.05420	1.5
240.04128	1.8
244.03641	2.7
246.89069	1.0
253.05162	1.1
255.02910	3.4
268.07330	1.2
269.04178	1.6
270.05585	1.2
272.50412	1.1
275.07059	2.0
276.08026	1.8
283.02441	3.1
284.03351	8.1
285.04080	6.4
289.08701	2.3
294.05325	1.1
295.06030	2.4
296.03149	3.2
297.03821	2.1
297.14917	18.9
298.15274	2.3
302.05869	1.2
306.05414	1.3
308.03278	1.4
309.04138	10.6
315.16040	10.5
316.16287	1.3
323.12918	1.1
324.05771	1.4
325.14417	6.7
328.13153	1.6
337.03458	3.9
341.13919	11.3
343.15503	16.5
344.15607	1.4
348.06335	2.2
349.14493	1.5
353.14075	1.5
367.15579	6.4
369.13400	53.5
370.13828	5.3
390.14746	1.4
391.15369	4.3
417.17471	2.4
433.12518	1.7
449.15729	3.4
459.14481	1.9
461.16702	1.5
467.16876	4.4
477.15546	4.7
513.09619	1.8
514.10034	2.2
571.27509	4.1
612.58618	1.3
634.21173	1.6
696.23254	1.3
706.17084	2.6
785.26532	20.3
786.26746	3.7
803.27600	100.0
804.28058	20.1
819.22723	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	5.0
59.01247	8.3
61.98700	16.8
63.02263	1.6
65.00192	9.6
67.01754	1.6
68.99681	6.7
69.03310	2.9
71.01247	8.1
71.51557	1.4
72.99155	1.7
78.95752	2.1
80.14755	1.2
80.96374	2.3
81.03329	1.7
83.01248	4.5
85.02814	7.8
87.00748	5.5
89.02309	4.0
93.03343	9.3
95.01263	7.0
96.95885	4.5
97.02834	1.8
101.02329	14.1
105.03345	1.2
107.01264	14.5
108.02091	1.1
109.02852	1.5
111.04420	2.6
113.02311	1.6
119.03384	1.3
121.02808	3.7
121.06492	1.6
123.00764	1.1
123.04396	3.8
124.01531	2.4
125.01460	1.9
125.02340	37.5
127.03884	2.3
133.02864	6.6
135.04425	6.4
137.02327	10.4
146.03584	1.7
149.02335	3.0
150.03148	1.1
151.00269	31.8
151.03749	1.2
153.05452	4.2
155.02232	1.5
155.03410	21.0
161.02321	4.5
165.01843	1.7
165.05475	2.1
167.03387	3.5
172.05219	3.3
173.04480	5.3
173.05826	1.5
174.03110	3.3
174.04715	1.2
175.03958	1.3
175.12811	0.9
177.01845	20.8
178.02289	1.3
179.03387	2.4
179.05621	1.1
185.05930	1.9
186.06796	4.4
187.03963	1.1
191.05528	48.6
192.05901	8.4
193.05992	4.0
196.05183	1.4
197.11690	1.5
198.03113	1.3
199.07535	1.6
203.10536	1.1
209.06023	1.3
209.11603	1.3
211.03922	1.8
212.04742	7.1
217.04788	1.4
225.05511	1.7
225.11345	1.3
227.03441	1.3
228.04007	1.4
237.05406	1.6
240.04166	2.0
241.04863	1.2
244.03696	2.0
253.04982	1.9
255.03014	2.8
256.03638	1.1
267.06342	1.9
268.07251	1.6
275.06766	1.5
276.07861	1.5
281.15555	1.7
283.02548	2.2
284.03195	11.2
285.04034	39.5
286.04172	2.2
293.04492	2.5
294.05292	2.8
295.05804	6.5
296.03262	2.2
296.06403	3.7
297.03699	1.6
297.06744	3.1
297.14896	14.9
298.04684	1.7
308.03128	1.3
309.04062	6.5
311.05643	1.7
311.16531	1.2
312.06348	2.7
313.06531	1.3
315.15939	9.0
322.04602	2.1
323.05066	2.6
323.12958	2.4
325.14499	5.4
337.03458	2.6
339.04919	2.0
340.05487	2.4
341.05984	2.1
341.13864	9.4
343.15463	14.3
344.15771	1.7
348.06134	1.4
354.08749	1.1
367.15448	5.7
369.13406	50.1
370.13736	4.6
391.15430	4.7
392.16241	1.3
433.13199	1.1
435.14117	1.4
449.15439	2.0
461.16785	2.7
467.17035	4.1
477.15479	6.8
495.16504	9.6
512.09521	4.2
513.09711	5.3
514.10193	9.0
571.27643	7.4
611.16797	2.9
641.31970	2.1
665.20880	2.2
706.16510	7.2
785.26489	19.1
786.26929	3.8
803.27570	100.0
804.27759	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03303	1.4
59.01252	7.1
65.00202	5.6
67.01752	1.9
68.99671	2.7
69.03306	1.6
69.77329	4.9
71.01268	5.6
72.99220	1.0
73.02834	1.1
78.95766	11.9
81.03303	1.1
83.01262	2.5
85.02813	8.1
87.00730	2.7
89.02315	4.8
93.03327	9.0
95.01262	2.4
95.38422	0.8
96.95884	1.2
96.96833	2.5
101.02319	5.0
107.01288	8.6
108.02086	4.3
109.02811	2.4
111.04356	1.1
113.02319	3.1
119.03406	2.1
119.04881	4.8
121.02785	1.2
122.98420	2.7
123.04393	1.3
124.01554	2.1
125.01540	1.2
125.02338	10.2
127.03883	1.8
129.01752	1.1
130.81987	0.9
133.02858	5.3
134.03574	2.6
135.04416	25.8
136.04706	4.4
137.02309	3.1
150.03091	1.7
151.00273	21.8
151.03873	2.9
152.00977	3.5
152.99503	7.2
153.01801	1.4
153.99852	1.0
155.03348	3.5
159.04308	1.3
161.02341	6.1
165.01811	3.2
167.03369	3.1
168.04189	2.6
172.05217	1.3
173.04474	5.6
173.05768	1.4
174.03159	1.2
175.03883	1.2
177.01727	1.9
178.02597	1.5
179.03438	6.5
179.05534	1.9
180.03845	1.1
185.05977	1.2
187.03957	1.9
191.05530	45.1
192.05855	8.7
193.06067	1.9
196.05273	1.1
199.03827	1.2
202.06288	1.8
209.11809	1.0
211.03903	1.1
212.04716	1.4
213.05551	1.1
214.06293	1.1
223.07507	1.4
224.04787	1.2
226.02617	1.1
227.03438	2.0
238.06175	1.1
240.04228	2.6
255.02837	1.9
261.05560	1.7
264.04086	1.3
265.04913	2.0
267.06451	1.1
280.03659	1.2
283.02438	2.1
284.03195	6.3
285.04031	11.4
286.04407	2.0
294.05341	1.9
295.05856	1.9
296.06546	1.5
305.01370	1.1
305.04401	4.3
308.03268	5.6
308.09116	1.0
309.04065	10.3
310.04465	1.0
312.06348	1.0
322.04800	4.5
323.05322	2.6
325.14362	4.6
328.16211	1.3
333.03891	1.6
334.04788	1.5
335.05527	1.9
343.15475	3.2
351.04892	4.2
351.12299	3.6
353.08759	4.3
353.13754	1.6
354.03802	3.7
354.14438	1.3
367.15482	1.3
369.13498	8.3
371.14938	1.4
372.15204	2.0
391.15326	1.6
407.14719	1.5
433.12787	10.5
434.13431	1.3
435.20154	1.2
436.20505	1.1
447.09283	1.6
451.13950	15.6
452.14655	1.9
477.15475	4.1
495.16638	9.7
496.16617	1.1
514.10114	2.1
537.17322	1.3
547.79626	0.9
551.17065	1.5
552.17419	2.2
571.27924	1.7
596.22296	2.4
597.22919	4.9
641.74792	1.0
704.67072	1.1
706.16956	2.1
744.22943	2.1
753.52020	1.0
785.27130	3.8
802.30762	2.3
803.27948	100.0
804.28174	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	803.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	1.5
58.00458	4.2
58.75624	1.2
59.01249	100.0
60.99146	1.4
67.01750	3.5
68.99687	32.1
69.03326	22.9
71.01250	70.1
71.07056	3.2
72.16857	1.2
72.99173	5.7
73.02818	2.9
78.95773	5.1
81.16962	1.4
83.01240	3.5
83.04916	1.8
83.05591	1.2
85.02813	20.1
86.03139	2.0
87.00743	10.8
89.02318	81.0
93.03334	22.0
94.03659	1.6
95.01256	21.5
95.04899	2.6
96.95896	4.6
97.02808	4.8
101.02319	51.3
103.05388	2.0
106.91483	1.2
108.02042	3.3
109.02837	3.1
111.04388	3.3
113.02320	31.3
113.69835	1.3
119.03383	36.6
119.04887	5.0
121.02827	16.7
121.06454	3.7
122.98431	2.3
123.00791	2.2
123.04405	48.7
123.05299	2.5
125.02309	3.7
127.03911	2.4
131.03380	4.8
131.04897	1.7
133.02870	3.8
134.03601	2.2
135.04398	9.4
137.02307	5.4
138.03133	4.0
143.03397	8.4
147.04405	4.7
149.02325	19.7
149.04372	2.9
149.05988	13.9
150.03142	6.9
151.03845	3.1
152.99460	3.2
153.01825	1.8
153.05452	5.8
155.03398	38.9
161.02330	2.4
161.04451	13.4
163.03912	2.9
165.01825	3.1
165.05458	11.9
166.02625	3.3
168.04155	5.1
173.04427	4.1
174.04666	1.5
175.00273	2.5
175.03888	6.0
176.01051	4.7
177.01872	7.4
177.05420	1.7
178.02576	4.6
179.03435	5.1
179.05521	66.3
180.03940	1.9
180.05804	1.5
181.04971	6.3
191.03429	4.8
191.05525	59.9
192.04167	7.5
192.05885	9.3
193.01289	4.1
193.04895	35.4
194.20750	1.4
195.06554	4.8
203.03462	1.2
207.06538	9.6
208.03714	4.6
209.11765	1.9
217.04987	1.8
223.06055	11.7
225.07626	9.4
229.01210	1.8
235.06075	6.2
241.48772	1.3
265.04996	1.5
294.04880	2.6
296.06262	1.8
325.07169	1.9
337.07330	2.7
339.04602	1.3
353.08917	3.4
355.10297	58.5
356.10760	3.7
367.11719	5.6
373.11246	7.7
377.99802	1.4
387.12802	5.2
415.12265	1.7
417.15396	2.1
431.12570	1.7
457.13455	6.5
511.14505	30.2
512.14886	3.1
514.10291	3.0
579.36005	1.3
581.19604	7.6
610.16669	1.9
611.16882	3.1
641.22552	12.3
706.16638	3.4
743.24164	7.2
744.24689	2.9
767.50018	1.4
803.29962	9.9
804.25757	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	1.7
58.00469	5.9
59.01251	97.1
61.98705	1.5
67.01766	3.7
68.99690	32.1
69.03333	25.8
69.21107	15.2
71.01256	72.1
72.01576	1.9
72.60936	1.4
72.99181	5.4
73.02826	2.2
78.95782	5.2
83.01282	2.2
85.02827	17.6
87.00761	8.2
89.02321	90.7
93.03330	14.0
95.01268	26.8
95.01841	2.2
95.04907	2.7
95.64221	1.3
96.95889	2.9
97.02841	5.8
98.20566	3.0
101.02323	65.5
103.05389	1.5
107.04916	1.6
108.02046	3.2
109.02843	2.8
111.04373	1.5
113.02327	29.6
119.03394	34.6
119.04881	2.9
121.02851	19.0
121.06493	4.3
122.98417	2.2
123.00809	2.1
123.04414	49.3
124.04876	1.6
125.02336	2.1
127.03860	1.3
131.03401	3.7
131.04965	1.6
133.02866	2.4
134.03650	1.9
135.04430	8.4
137.02304	3.0
143.03419	10.2
147.04430	3.6
149.02368	21.6
149.04524	4.2
149.05983	17.7
150.03067	2.1
151.03906	1.5
152.99533	4.4
155.03413	51.1
161.02344	2.6
161.04469	14.7
163.03915	3.5
165.01865	4.6
165.05504	5.1
173.04443	3.6
175.03975	4.1
177.05557	2.0
179.03366	2.9
179.05537	100.0
180.05884	2.8
181.05023	4.5
189.05501	2.4
191.03648	2.6
191.05540	35.3
192.05846	6.5
193.04971	41.7
193.06541	2.3
194.05411	2.0
195.06619	1.9
207.06534	4.0
217.05028	2.9
225.07674	12.5
235.06020	11.2
295.05844	1.7
299.45807	1.4
353.08542	2.6
355.10336	33.9
356.10547	3.0
373.11301	13.8
374.12292	1.6
387.12894	10.4
415.12610	4.8
425.39969	1.5
457.13452	3.6
511.14575	62.4
512.14838	8.2
581.18781	6.6
582.19226	1.6
611.16089	1.8
711.20862	2.5
712.21478	1.8
743.23285	6.2
744.24115	1.9
803.30548	5.5
821.89111	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	803.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	3.6
63.02263	0.5
65.00209	0.6
65.87379	0.4
67.01745	0.4
68.99699	1.2
69.03340	0.9
71.01260	2.4
71.51151	0.8
78.95800	1.4
85.02824	3.1
87.00771	1.0
89.02334	1.9
93.03343	3.1
95.01282	0.9
97.02867	0.9
101.01787	0.4
101.02326	2.2
107.01276	0.7
109.02847	1.0
109.34587	0.4
111.04394	0.5
113.02338	0.9
119.03390	0.8
121.02869	1.7
122.98463	0.9
123.04427	1.6
127.03909	0.8
130.24699	0.4
132.22932	0.5
133.02837	4.0
135.04402	2.1
137.02380	0.7
148.93134	0.4
149.02377	1.8
149.05997	0.6
151.00273	2.5
151.03853	0.4
152.99510	0.8
155.03429	1.4
161.02419	0.6
171.04448	0.4
173.04442	1.4
175.03937	1.9
177.01929	0.6
179.03488	0.9
179.05528	1.0
185.06081	0.6
191.05545	18.1
191.77234	0.5
192.05914	2.0
193.04976	0.8
199.03922	2.0
201.01819	0.5
213.05513	0.7
217.04979	1.1
227.03496	0.5
241.04918	0.6
243.03143	0.7
256.03738	1.1
269.04501	1.2
269.07544	0.4
284.00021	0.6
284.03271	21.7
285.04041	100.0
286.04416	8.9
289.05777	0.4
322.04846	0.6
327.05032	0.6
352.08041	0.6
353.08762	1.3
355.10165	1.1
373.11615	1.2
447.09323	29.7
448.09650	3.1
571.10919	1.8
577.15479	0.5
611.16943	1.0
803.20471	26.6
804.20654	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	0.3
59.01249	2.2
61.98709	0.3
64.45674	0.2
65.00185	0.5
67.01754	0.7
68.99696	0.4
69.03326	0.8
69.24060	1.0
69.24480	1.8
70.56617	0.3
71.01241	1.9
73.02814	0.8
81.03333	1.1
83.01253	0.4
83.04892	0.5
85.02818	14.7
87.00738	2.5
93.03329	7.1
94.03675	0.3
95.01277	0.4
96.95908	0.3
98.19719	0.5
99.04413	0.8
101.02318	0.8
107.01263	0.8
109.02797	1.3
111.04408	1.7
113.02328	0.4
118.60935	0.2
121.02801	1.5
122.03625	0.6
123.04416	0.4
125.02374	0.4
127.03890	3.5
132.02057	0.5
133.02818	3.2
134.03549	0.3
134.32236	0.3
135.04393	1.9
137.02307	0.5
147.00761	0.7
149.02342	2.1
150.03140	3.3
150.48744	0.3
151.00304	2.1
151.03798	0.6
155.03362	0.8
160.01563	0.6
161.02341	38.3
162.02675	1.4
164.04703	0.5
165.00130	0.5
165.01804	1.1
165.05473	3.1
166.06187	0.9
171.02921	0.7
173.04469	2.8
175.00308	0.5
175.03970	0.6
176.01033	0.3
176.58827	0.3
177.01881	0.6
179.03413	1.0
180.04189	0.6
181.04979	0.7
181.08632	0.4
191.05530	100.0
192.05878	4.1
195.06535	3.5
196.07115	0.4
197.69077	0.3
199.03981	0.3
215.05580	0.8
225.07623	0.6
227.03517	0.4
253.04823	0.3
255.02959	30.0
256.03665	11.4
257.04202	0.6
263.03464	0.5
264.04208	0.5
265.05093	0.6
267.02921	0.7
269.04465	1.3
283.02460	36.2
284.03210	27.8
284.06534	0.5
285.03995	21.1
286.04538	1.4
291.03146	0.5
292.03793	0.7
293.04483	0.9
295.02466	1.1
297.04129	0.5
309.14871	0.5
317.01233	3.3
329.10339	0.4
336.02499	0.4
337.03391	0.6
343.11972	1.2
351.07071	2.2
352.07678	0.4
353.08725	3.7
359.15036	0.8
373.07355	0.5
373.12341	0.5
389.06439	0.7
391.13843	0.5
401.06555	0.5
407.17123	0.5
417.06021	0.9
433.09085	0.8
445.05597	96.7
446.05872	12.6
447.09250	2.6
448.10077	0.6
466.09009	0.6
510.07867	0.8
569.20313	0.9
607.10840	25.3
607.23108	0.8
608.11206	4.2
702.14294	0.8
799.18256	1.1
799.31342	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	0.3
61.98701	100.0
62.98412	0.2
66.07765	0.1
67.01762	0.1
69.03326	0.1
71.01261	0.3
72.99196	0.1
78.95772	0.1
85.02841	0.4
87.00771	0.2
89.02314	0.1
93.03355	0.6
94.76519	0.1
96.95931	0.1
101.02340	0.1
107.18900	0.1
109.02864	0.1
112.36707	0.1
121.02835	0.1
133.02821	0.2
135.04369	0.5
161.02390	0.1
167.23665	0.1
173.04488	0.4
177.01901	0.1
179.03430	0.3
187.47948	0.1
191.05540	2.6
192.05963	0.2
215.30620	0.1
288.66370	0.1
321.19833	0.1
351.07343	0.3
439.27173	0.1
609.16022	0.1
695.75201	0.1
704.16644	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47485	3.5
57.03332	3.4
58.00467	8.4
59.01255	100.0
60.46290	2.5
62.79682	2.7
69.03331	49.0
69.47064	8.7
69.47485	13.6
71.01257	92.9
72.99174	15.1
73.02818	13.1
75.00741	16.2
81.03321	3.6
83.01272	5.1
83.73783	2.8
85.02834	19.2
87.00750	4.7
89.01769	3.3
89.02321	63.6
93.03333	15.2
95.01288	7.8
95.04922	11.2
97.02825	48.8
101.02330	57.5
105.03349	3.7
107.04918	27.2
109.02850	7.5
111.04427	3.5
113.02344	27.1
119.03415	20.9
119.04903	13.2
121.02847	11.4
123.04417	16.4
125.02321	4.8
125.05951	4.8
127.03907	2.9
135.04395	7.2
137.02361	9.3
137.05995	15.5
139.00304	3.7
139.03918	10.1
141.01826	4.8
149.05983	7.6
151.03911	6.3
153.05548	4.2
157.04947	9.1
161.04478	3.1
163.03964	9.8
169.04982	4.5
181.05038	15.9
181.06429	2.7
183.02956	6.7
191.05472	3.6
193.04999	10.8
195.02849	4.2
199.06078	39.5
206.27196	2.9
225.03920	3.4
373.11401	23.8
423.11432	8.3
592.12921	2.8
732.50592	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	797.4359
Annotation	Unknow
Peak:m/z	Relative Intensity
58.53703	0.5
59.01252	0.8
63.96107	1.6
70.06062	1.2
70.06460	1.2
71.01244	6.3
73.02818	1.4
78.98461	4.9
79.95604	9.0
80.96387	62.3
81.03343	0.8
85.02812	2.4
87.00745	2.7
94.97957	13.1
96.95885	1.0
97.02833	1.6
101.02312	1.5
106.97964	2.4
122.97443	2.4
125.02316	2.6
127.03841	0.6
134.97510	3.9
136.99026	1.6
148.99034	5.9
152.98543	5.4
164.98537	9.1
206.99638	2.2
209.11771	1.3
225.00671	18.4
226.01010	0.7
255.23251	1.4
363.96185	0.5
364.63742	0.6
396.21994	0.6
509.16495	0.7
537.27631	1.1
541.19739	1.9
765.41028	0.9
766.42212	0.7
797.43542	100.0
798.43854	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	796.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	4.0
59.93994	3.3
63.02273	4.7
65.00191	10.1
71.01237	4.9
71.50156	4.7
71.50591	5.3
80.25974	3.1
85.02802	4.4
93.03342	6.6
97.02814	11.6
101.02306	4.6
107.01266	11.7
109.51093	3.6
121.02851	4.3
123.04380	6.1
123.29598	3.4
125.02319	13.5
130.92960	3.7
133.02808	4.7
135.00739	3.5
149.02386	4.2
151.00284	38.9
156.03561	3.4
165.01788	4.6
177.01830	25.7
187.88083	3.4
188.07051	4.0
191.03416	14.1
191.05508	47.8
192.05873	5.1
196.67796	3.2
215.23082	3.9
226.05016	4.4
232.07628	4.1
234.05545	5.5
246.05753	4.2
255.02734	4.7
259.15613	3.4
274.05084	5.9
276.06686	20.2
277.07306	3.9
282.07809	6.3
296.03192	3.5
320.05753	9.3
325.03522	7.3
342.07892	3.9
346.03470	15.6
400.08185	8.7
427.06711	3.7
428.07779	22.1
429.08301	3.9
442.09351	13.4
460.10150	9.6
472.06552	11.8
493.81223	4.2
504.09396	89.6
505.09467	9.8
558.10693	7.8
572.11487	6.9
590.13098	77.6
591.13702	13.5
634.11755	5.4
666.14703	100.0
667.14801	26.5
752.18250	7.0
796.18378	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	796.4987
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	16.5
61.98703	4.8
69.34675	9.6
71.01258	1.8
75.00750	6.9
78.95782	63.9
79.95600	2.9
80.02538	2.3
80.96402	11.8
81.03340	3.7
83.01272	6.3
83.04892	8.3
84.02058	2.9
94.97948	3.0
95.04896	2.3
96.96844	5.1
97.06470	1.2
109.06495	1.7
110.15683	1.0
122.98423	1.6
124.99989	5.5
125.06010	1.3
125.09606	5.9
126.68503	0.9
134.98427	1.4
135.08060	1.9
148.99049	1.6
152.99504	12.3
163.11174	8.2
164.98491	1.4
165.12772	3.8
168.04216	6.2
171.10162	1.6
179.01064	1.1
181.12254	2.1
191.10739	8.0
197.11777	1.5
199.09741	2.2
202.38242	1.1
207.10210	4.7
209.11789	88.2
210.12067	6.4
223.00024	1.1
223.13367	10.5
224.06860	5.1
225.00691	3.6
225.11275	4.3
226.12132	7.2
227.12852	9.3
241.01135	7.8
241.14433	65.7
242.14761	4.3
255.23277	100.0
256.23672	9.8
277.21805	1.9
419.25702	2.9
462.30255	1.7
466.21896	1.2
480.31076	6.7
530.31458	1.1
619.36353	9.3
620.36371	1.4
645.37805	6.6
646.38300	1.7
690.43585	10.0
691.43329	1.7
704.45081	57.6
705.45416	13.9
722.46155	44.2
723.46552	8.6
778.56311	1.1
779.39526	10.2
796.40833	5.0
797.40656	26.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	0.1
61.98701	100.0
62.98404	0.2
83.81059	0.1
85.02826	0.1
89.02318	0.1
93.03346	0.2
96.95908	0.1
98.19803	0.2
101.02338	0.1
119.04902	0.1
121.02877	0.1
122.03648	0.1
135.04456	0.1
137.02359	0.1
149.02409	0.1
150.03185	0.4
151.00278	0.1
163.03825	0.1
164.04813	0.1
165.01804	0.1
165.05484	0.5
173.04491	0.1
177.01889	0.1
177.05342	0.1
179.03442	0.1
180.04253	0.1
181.05013	0.1
182.34386	0.1
191.05550	1.1
191.07205	0.1
192.05902	0.1
195.06592	0.2
209.11824	0.1
213.45613	0.1
229.27325	0.1
284.03122	0.1
285.07834	0.1
297.07755	0.1
331.11722	0.1
383.11429	0.1
406.46548	0.1
446.08206	0.1
475.35184	0.1
517.20740	0.1
731.29529	0.1
794.28937	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27254	0.1
56.92937	0.1
59.01247	0.5
60.45396	0.1
61.98700	4.2
63.47533	0.1
68.72055	0.1
71.01258	0.2
73.02816	3.3
75.00731	0.7
78.95775	0.5
89.43449	0.1
92.92839	0.2
99.00735	1.0
99.92452	10.0
100.92477	0.5
114.93298	0.4
116.03485	0.2
116.92741	100.0
116.97118	2.7
117.01816	5.9
117.91924	0.3
117.92751	4.5
171.10141	0.2
191.05528	0.4
223.16647	0.1
277.21600	0.2
335.17987	0.2
406.49881	0.2
425.64597	0.2
428.26596	0.1
455.05383	0.1
793.43036	0.2
794.43988	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74400	0.1
59.01247	0.2
61.98701	100.0
68.99674	0.1
70.34631	0.1
71.01234	0.2
71.51456	0.2
72.00852	0.1
78.95805	0.2
85.02828	0.2
87.00765	0.2
93.03352	0.5
97.02867	0.2
101.02297	0.2
119.04922	0.2
122.03648	0.2
123.04462	0.2
133.02847	0.3
135.04425	0.4
137.02356	0.4
147.33354	0.1
149.02341	0.2
150.03146	0.6
151.00267	0.2
155.03500	0.2
161.02386	0.3
165.01814	0.2
165.05441	0.7
173.04533	0.5
177.74864	0.1
179.03441	0.5
180.04193	0.2
181.04962	0.2
191.05548	3.1
191.07137	0.2
191.45160	0.1
192.05832	0.3
195.06508	0.3
210.58630	0.1
230.46150	0.2
255.33394	0.1
284.03354	0.3
285.04031	1.5
307.32922	0.1
339.08734	0.1
731.29822	0.3
795.26068	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	1.8
58.00467	5.1
59.01246	100.0
60.01573	2.0
66.01903	1.3
67.01432	1.7
67.01766	6.0
67.70842	1.4
68.99683	9.2
69.03323	4.5
71.01250	81.0
71.04882	11.6
72.99174	8.2
78.43526	1.4
83.01241	3.0
85.02816	16.5
87.00743	6.8
89.02312	96.9
93.03356	4.0
95.01245	8.5
95.04920	4.6
97.02817	1.7
97.06460	22.4
99.00764	1.8
101.02319	47.1
111.00780	10.6
113.02326	31.6
119.03381	38.6
119.04906	3.1
121.02840	9.3
121.06487	5.0
122.38392	1.4
123.04412	4.6
123.08057	3.8
125.02329	2.3
125.05965	10.3
127.03889	13.4
131.03392	5.7
135.04359	2.4
139.00258	24.3
143.03416	10.2
146.03627	2.7
147.35638	1.3
149.02347	2.0
149.04550	3.1
149.05991	16.7
150.03108	5.5
151.03905	21.0
161.04463	11.6
163.07523	1.9
165.01866	3.6
165.05467	8.2
166.02719	2.6
167.07028	6.7
173.04529	1.5
179.05533	66.0
180.04210	2.9
180.05836	3.2
181.05014	3.3
181.08630	10.7
191.05544	12.8
193.04941	13.0
195.06555	4.9
211.06035	23.8
211.07903	2.2
223.06046	2.6
225.07610	27.4
243.08691	4.5
371.09854	2.5
373.11398	17.1
403.12387	3.6
405.14001	61.0
406.14453	5.2
571.22473	1.7
613.22870	1.9
631.23468	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	793.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03304	1.0
58.00459	1.9
59.01256	44.6
67.01744	1.0
67.08636	0.8
68.99693	5.0
69.03316	1.5
71.01260	25.7
71.51019	1.5
72.99179	3.1
73.02812	1.6
83.01254	1.8
85.02834	7.0
87.00752	2.6
89.02321	28.0
93.03330	2.8
95.01287	2.5
97.02858	1.9
97.06488	0.9
101.02332	24.1
105.26757	0.8
106.04121	2.5
111.00806	0.8
113.02339	10.9
119.02700	1.1
119.03402	12.3
121.02850	2.8
121.06484	15.7
123.04391	2.2
123.08076	0.7
124.07558	0.9
125.05975	1.1
127.03929	1.0
127.20477	0.8
131.03403	1.4
135.04413	1.7
136.01534	1.5
137.02339	2.5
139.07552	0.9
141.88765	0.8
143.03401	2.0
147.04492	1.6
148.03932	1.1
149.02312	2.4
149.06003	3.9
150.03142	4.6
151.03856	1.9
153.05499	1.0
160.05232	1.5
161.02269	1.0
161.04477	1.8
165.01862	9.2
165.05461	6.5
166.02608	2.9
166.51457	0.7
167.07077	0.9
173.04463	2.3
175.03873	1.3
175.07520	0.8
179.03424	3.0
179.05524	4.3
179.06920	1.2
180.04208	6.2
181.05075	5.0
181.08635	28.1
182.08900	1.2
191.05548	10.5
193.04970	2.3
194.71547	0.8
195.06584	9.5
205.05055	1.1
210.05269	1.4
217.41437	1.0
225.07616	7.3
231.11555	0.7
309.07840	1.0
312.06784	0.8
335.12445	3.8
342.11261	1.4
353.09122	1.2
357.13391	5.1
359.11243	1.3
373.11414	68.7
374.11664	4.0
375.14526	1.4
387.14426	3.6
405.14023	100.0
406.14395	6.6
457.13535	1.4
553.21149	1.0
565.20953	4.1
583.21179	1.4
613.22998	6.9
614.23096	1.3
631.23529	2.9
632.23248	1.3
779.74469	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.2675
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	2.4
61.98694	0.5
67.01770	1.3
68.99683	2.2
69.03335	2.0
71.01248	2.3
71.50966	0.4
71.51350	0.7
79.58421	0.3
80.04939	3.3
81.79163	0.4
85.02843	1.2
85.37006	0.3
87.00742	0.7
89.02316	1.3
92.04925	0.4
93.03336	2.9
94.06509	3.9
95.04919	0.7
96.00787	0.4
96.08075	1.5
97.01573	2.2
98.02353	0.4
98.06022	0.4
99.00747	0.5
101.02339	3.5
104.04927	0.9
106.06509	1.7
108.04414	0.6
109.02841	0.5
109.05226	1.5
110.06003	0.7
113.02336	1.7
119.03434	0.4
120.04440	3.8
121.02847	1.7
121.05230	0.7
121.06518	0.6
122.06020	15.4
123.04406	1.2
124.03963	0.7
124.07578	19.2
125.07912	0.5
127.03901	5.3
135.04388	0.7
136.03908	3.2
136.07626	0.5
137.02332	0.9
138.05492	0.9
140.07072	1.5
148.03952	33.3
149.02347	1.1
149.04347	1.4
149.05981	0.5
150.03172	2.1
150.05519	9.1
151.05914	0.4
152.07094	1.1
153.05469	4.7
161.02335	0.8
165.05489	3.2
166.05026	6.4
168.06587	6.6
173.04543	0.6
176.87669	0.4
179.03331	0.8
180.04185	0.4
181.05003	2.8
191.05518	5.0
194.04532	2.2
195.06577	3.6
199.12267	0.5
210.03978	0.9
213.06587	0.6
215.11800	1.0
225.04016	1.8
225.75381	0.4
228.08997	1.0
229.13484	0.9
231.11345	4.0
240.09030	0.6
243.11285	1.9
255.11424	1.3
273.12451	17.6
274.12778	1.3
291.13528	14.0
291.15985	0.3
292.13785	0.9
317.11423	5.9
318.11539	0.4
335.12488	100.0
336.12802	9.2
359.14893	0.8
371.14984	0.9
457.13535	23.6
458.13974	2.6
473.58731	0.4
585.23956	2.0
660.57562	0.4
666.09479	0.5
765.61237	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
57.30878	0.5
59.01236	2.2
61.98701	0.9
65.47807	0.5
67.01744	1.4
68.99675	1.8
69.03314	1.7
69.23390	5.4
71.01238	1.5
77.60616	0.5
80.04946	2.8
83.01257	0.6
83.68754	0.5
85.02816	1.3
87.00790	0.6
88.07063	0.6
89.02293	0.8
91.43013	0.4
92.70933	0.5
93.03332	3.3
94.06490	3.9
95.03645	0.8
96.00797	0.7
96.08077	1.2
97.01572	2.2
97.02799	0.6
98.06007	0.9
98.20695	1.0
101.02315	3.9
104.04928	0.7
106.06498	2.0
108.04444	0.9
109.05228	1.5
110.05996	0.7
111.47394	0.6
113.02343	1.5
120.04433	4.0
121.02866	1.4
121.05190	1.0
121.06433	0.6
122.06011	14.6
124.03927	1.3
124.07577	15.9
127.03896	5.6
135.04370	0.8
136.03926	2.2
137.02393	0.6
138.13205	0.5
138.23570	0.5
140.07025	1.3
147.05515	0.6
148.03941	31.7
149.02359	0.6
149.04362	1.5
149.05931	0.6
150.03114	3.1
150.05518	9.6
151.03886	0.8
152.07053	1.2
153.05484	4.2
161.02406	0.6
165.01860	0.7
165.05455	2.7
166.04997	5.8
168.06557	4.6
173.04416	1.1
179.05260	0.5
181.04961	2.2
191.05533	5.3
192.05916	0.7
193.05074	0.6
194.04503	1.6
195.06609	2.6
210.03896	0.6
215.11922	0.9
216.08838	0.7
225.03931	1.8
227.11816	0.7
228.08916	1.0
229.13306	0.7
231.11313	2.6
243.11411	2.0
255.11320	1.2
273.12439	15.5
274.12747	1.7
291.10272	0.8
291.13516	14.5
292.13882	0.8
317.11395	6.8
318.11462	0.6
335.12463	100.0
336.12778	9.1
359.14813	0.8
371.14719	0.7
457.13489	21.6
458.14023	3.9
480.54175	0.6
504.00711	0.5
585.23535	1.4
645.03027	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	0.6
59.87767	0.2
60.12232	0.1
61.98701	100.0
63.43883	0.1
64.10958	0.1
67.01741	0.2
69.03312	0.2
71.01261	0.6
71.09066	0.4
78.95791	0.5
85.02830	0.5
87.00749	0.4
89.02290	0.4
93.03331	2.3
94.03683	0.4
95.01268	0.2
95.16798	0.2
99.00735	0.2
101.02315	0.4
109.02869	0.2
111.04427	0.3
113.02332	0.2
119.03397	0.2
119.04912	1.2
121.02875	0.3
121.75208	0.2
123.00704	0.2
123.04474	0.2
133.02850	0.3
135.04451	0.7
137.02367	0.4
139.03931	0.6
149.02356	0.2
150.03114	0.8
152.99533	0.4
155.03473	0.3
155.10640	0.2
161.02319	0.3
163.03917	0.5
165.01942	0.2
165.05457	0.4
172.30331	0.2
173.04485	1.0
177.01794	0.2
179.03401	0.4
181.12210	0.2
191.05542	3.8
191.07147	0.3
192.05881	0.3
195.06540	0.5
205.04982	0.2
227.03503	0.2
245.03481	0.2
258.78372	0.2
271.06131	0.2
275.09326	0.3
277.85126	0.2
285.04123	0.4
285.07684	0.7
286.04333	0.2
300.10059	0.4
301.10947	0.2
331.12012	0.5
344.72205	0.2
449.14661	0.7
450.15106	1.1
451.15411	0.2
570.14917	0.2
792.27191	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.4716
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98694	3.6
68.08216	3.3
71.01242	8.4
71.51031	4.2
78.95778	64.2
78.98437	5.5
79.95616	10.7
80.96391	64.0
85.02818	9.7
85.30206	3.3
90.80423	3.5
94.97961	14.2
96.96819	5.5
102.87617	3.3
115.91893	5.3
134.97498	4.6
138.19543	3.3
141.44254	3.9
152.98491	6.2
152.99510	58.7
164.98566	5.8
171.00540	4.8
171.10152	18.6
196.89398	6.4
199.30945	3.6
209.11748	7.1
211.13312	14.0
225.00696	16.8
229.14388	10.4
253.21747	10.3
255.23251	11.5
262.70786	3.9
327.21762	26.2
463.20920	6.4
555.25781	47.1
556.25830	6.5
570.18842	4.2
791.44604	100.0
792.44287	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	791.298
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00455	2.9
59.01250	66.5
60.36842	1.3
67.01777	1.3
69.03326	52.0
70.03660	1.6
71.01251	40.1
72.99174	4.4
73.02805	1.3
83.01259	1.9
85.02811	7.6
86.39944	1.3
87.00747	3.4
89.02318	44.6
93.03331	15.0
93.39452	1.1
95.01272	2.3
97.02830	71.6
98.03166	2.7
98.20574	2.9
101.02318	21.9
105.03358	3.2
113.02338	15.2
119.03381	14.9
119.04768	1.3
121.02858	3.0
121.06505	3.1
123.04411	13.8
131.03392	2.1
134.03722	1.4
141.01863	3.4
143.03458	1.9
147.04387	2.0
149.06003	26.2
150.06281	1.6
161.04515	1.4
162.23770	1.2
167.07042	7.6
179.05540	5.6
191.05551	1.6
193.05013	43.3
193.06808	2.5
194.05356	2.4
200.39244	1.3
205.60419	1.2
236.05441	1.5
373.11398	100.0
374.11703	10.4
417.12219	2.0
418.13284	1.5
444.03616	1.2
511.75439	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	791.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00456	3.4
59.01250	65.0
60.01568	0.8
60.74270	0.8
67.01759	6.6
68.99686	9.8
69.03324	29.2
71.01254	44.1
71.50724	1.2
72.01596	1.1
72.99179	2.9
73.02809	1.4
83.01257	1.7
83.63114	0.7
85.02819	8.5
87.00754	2.5
89.02318	56.8
91.35384	0.7
93.03333	2.0
95.01271	3.5
95.04903	32.6
95.05525	1.6
99.04404	1.7
101.02321	41.4
107.24019	1.0
111.00774	15.6
111.04427	0.8
113.02328	17.2
119.03391	21.8
119.04813	3.7
121.02844	100.0
121.06447	4.7
122.03199	4.1
123.04404	18.4
124.04797	0.7
127.03898	10.7
131.03398	2.4
137.05975	1.7
139.00270	16.0
139.03911	1.6
143.03362	5.3
147.04393	6.7
149.02402	3.9
149.04425	1.0
153.05469	0.8
161.04469	5.5
163.03967	1.8
165.05490	18.2
179.05533	35.8
179.07068	8.2
180.05869	0.9
181.04958	3.9
186.25133	0.9
191.03436	4.6
191.05508	2.0
198.00784	0.7
209.04515	2.3
223.06067	26.3
224.06381	1.9
240.88797	0.7
241.07228	1.7
274.77615	0.7
327.10880	1.0
333.08319	2.3
341.21133	0.7
371.09799	29.9
372.10251	3.1
403.12430	25.6
403.17593	1.4
404.12842	2.1
410.77426	0.7
502.20795	0.8
572.14160	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	791.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
57.70644	1.5
58.00470	1.9
59.01250	65.6
67.01772	7.5
68.99686	7.9
69.03323	25.4
69.48434	2.7
69.48856	7.8
71.01253	43.4
71.79341	1.5
72.99178	2.9
73.02818	2.0
73.42715	1.3
83.01256	2.2
85.02830	6.6
87.00787	3.4
89.02315	48.7
93.03336	2.3
95.01246	3.4
95.04906	24.7
95.05500	1.5
99.04387	2.6
101.02319	36.9
111.00092	1.6
111.00770	16.4
113.02329	17.1
119.03387	19.1
119.04869	3.9
121.02841	100.0
121.06470	3.1
122.03171	5.4
123.04398	19.2
127.03921	8.4
137.05966	3.9
139.00264	17.6
143.03389	4.0
147.04407	5.9
149.02321	3.4
161.04457	5.3
164.58629	1.4
165.05479	16.8
179.05576	30.5
179.07071	6.2
181.04967	4.8
191.03348	2.0
209.04523	1.9
223.06056	21.8
224.06381	1.9
333.08157	2.1
337.80518	1.4
371.09839	28.0
372.10150	2.0
403.12463	24.3
404.12799	3.2
438.41904	1.4
486.25177	1.6
806.38562	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	791.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01739	0.9
57.03314	1.4
58.00468	3.2
59.01250	62.4
60.01583	1.0
60.99190	0.6
67.01753	8.4
68.02135	0.5
68.99686	19.8
69.03326	31.6
69.53085	1.1
69.53493	3.3
70.03661	0.9
71.01251	52.1
72.01594	0.7
72.99174	5.2
73.02813	2.2
75.00742	1.2
83.01254	2.0
83.59174	0.6
85.02828	10.7
87.00743	5.4
88.79732	0.6
89.02315	61.1
90.02656	1.3
93.03335	5.4
95.01265	7.8
95.04899	31.2
96.05247	1.2
97.02835	2.4
99.00739	1.4
99.04401	2.3
101.02318	52.5
102.02642	1.1
105.03386	0.7
106.04158	0.6
107.04933	0.9
108.02061	1.7
109.02863	1.2
109.06468	1.8
111.00764	19.6
111.04398	1.2
113.02326	22.1
114.02639	0.7
119.03386	28.6
119.04787	4.8
121.02840	100.0
121.06435	3.3
122.03111	2.9
123.00764	0.8
123.04408	26.9
124.04744	1.6
125.02350	1.5
127.03910	11.9
131.03397	3.6
133.02818	0.7
135.04425	2.7
135.08060	5.4
137.02348	1.2
137.05991	3.1
139.00269	17.3
139.01363	0.9
139.03918	1.9
143.03392	7.3
147.04422	8.4
149.02373	6.1
149.04453	2.9
149.05980	1.3
150.03102	1.7
151.03891	2.0
153.01833	1.1
153.05490	1.5
153.09103	3.0
154.27107	0.6
155.03394	7.3
161.02362	1.0
161.04460	11.0
161.05833	0.9
162.03102	0.6
163.03891	2.4
165.05484	19.1
166.02615	1.1
166.05884	1.4
173.04453	1.3
177.01897	1.0
177.05490	1.5
179.05557	52.7
179.07063	10.1
180.05890	2.0
180.07292	0.7
181.04968	6.1
190.02557	0.9
191.03448	5.3
191.05530	10.1
192.05768	0.6
193.01338	0.9
193.04953	1.7
197.08170	3.7
198.08470	0.7
207.06558	1.3
209.04460	4.2
210.76317	0.7
213.07674	0.9
223.06064	41.9
224.06335	3.8
225.07709	1.4
233.70944	0.6
241.07063	2.9
258.24216	0.7
327.11310	0.7
333.08307	2.0
345.15417	0.9
359.13416	8.4
360.13837	1.6
371.09802	49.9
372.10104	4.5
403.12424	37.3
404.12753	4.1
425.43436	0.6
449.14465	1.3
527.17950	1.5
597.18848	0.8
629.21735	3.4
630.22589	0.7
731.17505	0.7
791.26703	2.0
792.24152	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01190	3.7
61.98641	2.4
67.01724	0.7
68.99653	0.7
69.03269	2.2
69.42008	3.8
71.01242	2.7
78.95740	0.8
80.04867	1.7
85.02769	1.7
87.00705	1.1
89.02316	3.4
93.03329	4.2
95.01208	0.7
95.04851	1.4
96.95839	0.8
97.02766	0.8
101.02326	2.9
101.52374	0.6
104.04874	0.6
108.04375	0.9
109.02758	0.7
111.00766	0.6
113.02256	1.5
119.03338	1.2
119.04872	0.6
120.04414	0.6
121.02824	5.0
122.06000	4.8
123.00723	0.9
123.04344	1.4
124.07507	1.4
125.02304	0.7
127.03870	0.5
130.02821	1.2
132.03505	0.5
132.04439	9.2
133.02808	0.7
135.04332	1.8
136.03801	0.5
137.02325	0.9
138.03079	0.7
139.00200	1.3
139.03784	0.7
143.03349	0.9
146.02333	0.8
147.03073	2.1
147.04243	0.8
148.01459	0.6
148.03754	0.7
149.02299	1.1
150.03146	3.8
150.05516	2.7
151.00238	0.9
151.03897	0.7
152.99438	0.7
153.01825	0.6
153.05412	0.9
155.03349	0.6
158.02376	3.9
160.03951	5.7
161.02267	0.6
161.04565	1.8
162.05397	1.8
163.03893	1.2
165.01764	1.2
165.05482	4.7
166.02631	4.2
167.03311	0.8
171.00465	0.6
172.11223	1.0
173.04402	2.2
174.05525	0.8
175.03835	0.6
176.03459	4.9
176.07054	2.8
177.01784	0.6
178.02571	0.6
179.03300	1.3
179.05396	1.9
179.06880	0.6
181.04990	5.5
183.09096	1.1
184.07553	1.1
190.05022	10.3
191.05513	7.5
193.04878	1.5
195.06488	1.7
196.11247	1.2
197.06908	0.9
198.04140	0.9
203.03331	0.9
207.06480	0.6
209.06970	1.0
211.06024	1.7
211.12245	2.0
212.05699	1.2
212.10660	2.1
213.06555	1.3
215.11856	3.6
220.02419	0.8
222.09143	1.1
223.06226	1.1
223.08603	2.3
224.07161	1.4
224.09471	6.9
225.06186	0.9
225.07985	0.9
226.07344	2.2
227.08226	4.1
234.03883	0.9
235.04637	0.8
237.10193	0.9
238.08556	1.2
239.04463	1.0
239.08131	2.4
239.11855	19.1
240.08388	0.7
240.10159	3.7
240.12216	0.9
241.09787	7.8
242.10005	0.6
250.07364	2.0
252.05272	0.8
253.03654	1.0
253.06134	14.6
254.06584	2.5
255.07597	2.5
255.11327	6.1
256.08316	0.8
265.09799	3.2
266.07584	0.5
267.07712	4.2
268.08539	8.1
275.08936	0.7
281.09308	6.9
283.10864	62.7
284.11246	4.7
285.08035	0.9
287.10077	1.0
309.08801	20.7
309.12411	1.1
310.09070	2.2
315.13367	0.8
327.09836	34.1
328.10196	3.4
341.11194	0.9
353.07831	1.3
359.12592	1.4
369.13403	0.7
371.08795	86.9
372.09192	8.2
373.12378	0.5
387.10727	0.5
403.11426	100.0
404.11731	11.0
417.15945	1.2
430.00314	0.6
432.14331	1.3
433.15121	1.6
447.52271	0.6
449.14352	2.6
581.20605	1.5
629.22357	5.4
630.22290	0.7
729.22345	0.9
791.26031	1.4
792.27325	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4882
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	10.9
61.98706	4.8
71.51005	1.5
78.95779	18.2
80.96400	1.8
81.26307	0.8
83.04873	1.8
96.96855	1.2
105.77694	0.9
124.99995	0.9
130.62604	1.1
152.99471	3.5
158.59465	0.8
168.04199	4.9
171.10303	1.2
173.81479	0.9
209.11774	19.4
213.43199	1.0
224.06877	1.9
225.00803	1.0
227.12759	4.3
241.14346	2.2
275.70612	0.9
281.24854	100.0
282.25165	7.5
295.22830	2.1
296.23047	0.9
312.95462	0.9
452.21085	0.9
519.27209	1.0
645.37396	1.3
716.45001	43.1
717.45148	10.0
730.47021	4.5
759.17462	1.2
790.49469	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	791.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	1.8
67.01775	0.6
68.99677	0.9
69.03355	0.6
69.24657	1.3
69.25067	4.1
69.31413	0.5
71.01250	1.6
80.04912	1.0
85.02811	0.7
88.98671	1.7
89.02313	1.9
93.03345	2.4
95.01242	1.2
95.04900	0.7
96.95895	0.6
101.02291	1.7
108.04442	0.7
109.02832	1.1
111.00797	0.7
113.02344	0.6
119.03420	0.6
121.02867	2.4
122.03607	1.4
122.05994	3.5
123.04385	1.0
124.07546	1.4
125.02306	0.5
127.03916	0.8
132.04425	7.3
133.02847	0.5
135.04317	1.1
136.01587	0.7
137.02336	0.9
138.03108	0.9
139.00256	1.4
145.02850	0.6
147.03200	1.1
147.04373	0.9
149.02325	3.8
150.03122	12.3
150.05470	1.6
151.00294	3.0
151.03836	0.8
153.01804	1.2
153.05424	0.7
158.02371	2.1
160.03908	5.3
161.04637	1.1
162.03117	0.7
162.05550	1.5
164.04655	0.9
165.05476	13.5
166.02623	6.6
173.04492	1.0
174.05524	0.8
175.03909	1.5
176.03444	2.5
176.07039	2.9
177.01888	3.0
177.05359	0.8
179.03525	0.7
179.05518	1.2
180.04155	1.9
181.04994	7.0
184.07649	1.1
190.05005	4.9
191.03445	1.7
191.05530	5.4
192.04247	3.3
193.04782	0.7
195.06554	3.4
203.03462	2.9
205.04955	0.6
207.06561	5.4
211.08560	0.5
211.12329	1.2
212.05801	0.6
212.10753	1.5
215.11823	2.2
218.05754	2.9
220.02432	0.7
221.04506	1.2
222.09056	0.7
223.06154	0.9
223.08710	1.1
224.07317	0.9
224.09433	4.8
225.08023	1.1
226.07410	2.3
227.08223	3.4
233.08107	2.6
234.03981	0.9
235.06030	0.8
236.06850	3.3
239.08133	1.3
239.11858	12.1
240.10191	2.5
241.09741	6.5
242.10057	0.6
250.07491	1.0
251.09178	5.4
253.06107	7.8
253.08690	0.6
253.09904	0.8
254.06833	1.6
255.07706	1.9
255.11377	5.6
265.09863	1.2
267.07727	3.4
268.08453	4.6
281.09305	6.5
283.10867	46.6
284.03342	0.7
284.11148	4.0
285.04126	1.1
285.08716	1.2
287.10318	0.7
294.06232	0.5
309.08792	20.6
309.12427	1.0
310.09021	1.5
315.13562	0.7
327.09839	20.0
328.10034	1.3
329.07486	0.8
341.11230	2.1
353.07742	1.8
359.12311	1.0
371.08804	56.1
372.09058	4.7
373.12674	2.1
403.11423	100.0
404.11765	8.9
414.59128	0.6
417.11459	0.7
418.13074	0.9
431.13528	1.1
433.15234	2.3
433.20392	0.8
447.09128	0.8
449.14371	1.3
450.53397	0.6
516.07312	0.5
535.19843	1.2
583.21112	2.6
599.17578	0.5
629.22363	32.3
630.22766	3.8
791.26868	4.6
792.27985	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	1.5
57.03313	3.6
58.00461	3.5
59.01248	75.0
60.01576	1.8
60.97399	87.8
61.97754	1.1
65.03809	1.3
67.01752	4.5
68.99317	1.5
68.99687	30.8
69.03325	20.6
71.01249	55.1
72.01591	1.2
72.97393	2.4
72.99187	5.0
73.01034	10.7
73.02815	5.3
74.98961	3.0
75.00728	1.0
82.99497	1.3
83.01259	3.6
85.02346	1.5
85.02822	14.1
86.98965	2.3
87.00747	3.6
89.02314	50.3
90.02663	1.3
90.98470	4.6
93.03327	8.8
95.01247	5.0
95.04896	15.1
97.01072	1.2
97.02818	3.9
98.98975	1.8
99.00728	2.5
99.99760	2.8
101.00549	22.9
101.02321	88.1
107.04885	1.8
109.01009	1.6
111.00761	5.7
112.03918	4.4
113.02326	22.9
114.98465	7.6
117.00020	1.1
119.03378	23.5
119.04873	3.5
121.02841	29.1
121.06464	4.1
123.00668	1.0
123.04403	8.3
123.99893	1.3
125.00554	6.1
125.02294	1.2
126.98484	1.8
127.02099	1.0
127.03895	6.9
130.86400	1.2
131.03397	2.2
133.06512	1.5
135.02664	1.5
135.04449	1.3
137.00555	3.0
137.02319	2.2
137.04234	1.0
138.05461	6.2
139.00224	4.3
141.00021	1.7
142.98022	1.6
143.03407	4.5
143.04897	2.5
144.71544	1.0
145.02785	1.4
145.06459	3.7
147.01114	1.8
147.04434	4.4
148.16635	1.3
149.02330	3.8
149.04396	1.6
150.03082	2.0
151.02074	2.2
151.03902	5.7
151.07570	1.4
152.98856	1.9
153.00055	23.7
153.03667	1.7
153.05464	4.9
154.04941	2.0
155.01578	7.5
155.03419	2.5
159.02840	1.5
159.11612	2.4
161.02327	3.3
161.04419	7.8
161.05927	3.3
161.09613	3.5
162.09885	1.2
163.02101	1.2
163.03877	2.3
163.07658	1.6
165.01845	1.3
165.05463	8.8
167.00275	2.0
167.01630	26.1
168.86111	1.1
169.01849	1.7
169.03207	25.4
171.04434	6.4
173.04597	1.4
173.05965	4.1
177.03728	2.2
177.05429	2.2
177.12721	2.6
179.01776	1.5
179.03412	4.6
179.05479	18.5
179.07008	2.0
180.99576	1.2
181.03299	2.2
181.04930	3.0
185.02704	17.7
189.03915	1.2
189.05493	6.9
191.03598	1.9
191.05540	12.6
191.07159	1.9
191.46028	1.0
195.01114	4.5
195.04935	1.3
197.02753	1.2
197.06250	1.1
199.04202	7.3
203.06981	2.3
203.10732	1.6
205.03300	7.7
205.08635	1.9
207.04755	3.7
211.04193	1.5
213.02202	2.2
221.08179	1.9
221.11749	7.2
222.12199	3.8
223.04178	7.9
223.06099	6.5
225.05661	1.3
231.06529	3.7
233.02698	3.0
237.05917	9.8
239.07344	9.6
251.03712	1.7
252.04237	1.4
255.03256	3.7
255.06892	3.6
257.01154	2.9
265.05359	20.5
266.05722	2.0
269.04660	1.2
279.06732	1.3
283.03546	2.1
283.06470	25.2
283.09604	1.4
284.06775	1.1
291.08572	1.3
300.10947	1.6
325.07306	2.5
343.04742	1.4
343.08627	2.9
371.09729	10.0
373.11453	2.5
374.11758	1.6
375.07529	12.7
385.09613	7.0
401.18094	19.5
402.18481	15.2
403.12308	11.2
403.19116	2.7
413.09171	3.1
417.12320	7.9
445.11700	49.4
446.12082	5.0
449.14349	1.5
457.08069	1.7
489.10709	100.0
490.10913	10.0
790.22577	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	787.3941
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	3.4
61.98701	42.9
63.96112	2.1
69.03295	1.7
71.01241	11.2
71.50504	1.7
73.02811	2.8
78.95766	13.5
78.98454	7.2
79.95609	15.1
80.96387	100.0
85.02835	2.9
87.00765	2.0
94.97955	23.1
96.06459	1.6
96.95885	2.4
97.02782	1.8
101.02311	3.7
101.81013	1.5
106.97925	2.4
110.98343	2.2
122.97408	6.2
125.02270	3.7
127.03860	1.8
134.97481	9.2
136.55081	1.5
136.98982	2.8
140.00949	1.4
148.98932	7.0
152.98460	6.0
152.99539	2.2
164.98557	16.2
166.77748	1.5
171.10132	2.7
181.12114	1.9
191.05521	3.2
195.13812	3.2
197.11658	1.9
201.42023	1.4
206.99605	3.3
209.11713	6.2
211.13258	2.8
225.00697	21.6
277.21585	5.7
279.23187	3.9
293.21234	3.6
295.22778	13.8
296.23013	3.4
311.22183	9.7
312.22641	3.8
341.23459	2.3
502.99731	2.0
509.16568	3.4
559.25531	2.0
629.52832	1.7
714.43390	3.5
786.48669	2.6
787.38666	92.4
788.39148	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	788.4719
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	10.8
61.98703	15.1
71.01249	1.9
73.02798	0.6
78.95775	19.2
78.96228	1.3
78.98444	0.6
79.95608	2.3
80.96387	14.6
81.03341	0.9
82.96001	0.6
83.04900	2.0
85.02779	0.6
87.00752	0.8
94.97958	2.9
96.95886	0.6
96.96878	0.7
116.92681	0.7
123.22185	0.6
125.02364	0.7
134.97485	0.8
148.99068	0.7
152.98436	0.6
152.99522	3.9
163.11203	1.4
164.98500	2.6
165.12701	0.8
168.04216	3.7
191.05537	2.7
209.11763	21.8
210.12073	1.1
219.26050	0.5
224.06877	1.8
225.00708	2.7
226.01082	0.7
227.12862	3.8
241.14380	3.9
261.22052	0.7
267.33469	0.7
278.22275	0.7
279.23279	100.0
280.23593	8.0
300.17606	0.7
452.20544	2.2
487.63602	0.6
504.30948	0.7
521.01849	0.7
551.80554	0.6
631.42303	0.6
643.36017	0.7
655.74323	0.7
669.37378	0.6
714.43488	50.2
715.44104	8.3
728.44904	4.2
729.44562	0.7
788.39600	17.0
789.38776	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	786.428
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98699	100.0
62.98382	0.2
69.79646	0.6
72.44447	0.1
78.95764	0.5
78.98472	0.1
80.96379	0.9
82.95976	0.2
91.21630	0.1
94.97990	0.1
98.19946	0.1
103.53163	0.1
127.77668	0.1
171.10287	0.1
191.05537	0.1
225.00829	0.2
227.03278	0.1
277.21744	0.1
279.23077	0.1
295.22482	0.2
311.22186	0.2
514.40277	0.1
601.29547	0.1
786.39667	0.5
786.51208	0.2
787.40210	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.3938
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01226	1.7
61.98703	27.7
63.96098	1.0
69.03309	1.3
71.01251	11.6
72.99192	0.9
73.02814	1.5
78.95774	6.8
78.98122	0.8
78.98464	8.9
79.95607	17.7
80.96391	97.4
81.03339	1.0
85.02826	5.2
87.00734	2.8
88.98650	3.6
94.97402	1.2
94.97965	18.3
96.95879	1.7
97.02812	1.4
97.13395	1.0
98.54079	0.8
101.02280	3.1
106.97958	4.4
116.91515	0.9
122.97437	4.0
125.02311	3.2
134.97479	5.3
136.99019	2.3
148.99054	8.2
152.98470	8.4
152.99493	0.9
164.98543	14.4
171.10168	1.5
185.31165	0.9
191.05495	1.6
206.99586	2.8
209.11703	3.8
225.00687	24.0
277.21658	3.4
279.23209	3.2
283.04822	1.2
293.21289	1.8
295.22733	2.5
329.89737	1.0
330.15485	0.9
376.38324	1.0
441.71893	1.0
509.16550	1.7
552.76282	0.9
559.25861	2.3
714.43689	1.6
787.39203	100.0
788.39691	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	786.4282
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98702	100.0
62.98406	0.2
62.99126	0.1
71.01266	0.1
74.03443	0.0
78.95782	0.2
79.95580	0.1
80.96387	0.5
82.95969	0.1
85.02825	0.1
94.97956	0.1
99.23929	0.0
148.15694	0.1
152.99547	0.1
164.98656	0.1
191.05698	0.1
209.11852	0.1
210.12164	0.1
225.00735	0.1
277.21808	0.1
278.22086	0.1
279.23294	0.4
280.23407	0.1
293.21329	0.1
295.22815	0.1
309.14752	0.0
314.85355	0.0
427.97855	0.1
446.08792	0.1
521.84546	0.1
563.20428	0.1
786.40326	0.4
787.40295	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	2.6
61.98699	49.3
69.66953	7.9
71.01247	2.4
78.95758	2.7
82.10995	1.3
85.02826	4.2
86.11083	1.3
87.00751	1.9
88.98691	1.7
89.02293	1.1
93.03331	3.4
93.83813	1.3
96.95884	1.4
116.74411	1.3
121.02863	2.8
133.02861	2.4
135.04425	1.4
151.00270	2.7
159.34596	1.2
168.39488	1.1
169.12279	1.3
173.04472	2.1
175.03833	1.4
181.75934	1.2
188.93600	1.2
189.40727	1.2
191.05521	31.7
191.07164	2.4
199.03905	2.0
224.13467	1.2
246.68858	1.2
255.02849	2.1
256.03668	2.5
283.02490	2.1
284.03253	38.4
285.04019	100.0
286.04382	6.7
293.21344	1.7
299.05313	1.9
313.03665	1.8
371.50949	1.4
464.37967	1.3
625.22711	2.2
723.30151	76.2
724.30499	13.5
786.43488	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	786.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00963	1.0
59.01250	16.6
60.99168	2.8
67.01755	1.4
68.01286	20.3
69.03323	23.6
69.39246	7.6
71.01253	14.9
72.99163	1.7
85.02808	2.8
87.00739	4.6
89.02312	15.8
93.03317	3.8
94.02791	1.0
95.01266	1.5
95.04853	1.3
97.02828	100.0
98.02350	5.6
98.03153	3.4
99.00752	2.3
101.02334	6.0
105.03347	1.1
107.04900	1.3
108.02074	1.1
108.04414	1.5
109.02833	2.4
110.02364	8.3
113.02329	6.5
118.02848	3.5
119.03371	5.2
119.04884	1.8
121.02835	7.6
121.06453	1.0
123.04396	17.3
125.02326	1.1
128.01683	0.9
128.03372	1.5
135.04393	3.7
140.03406	2.0
141.01852	6.4
144.04440	1.0
147.04410	3.7
149.05972	9.4
152.03391	1.0
158.04474	1.4
161.04547	1.2
161.05934	1.2
162.01828	1.8
162.05507	5.4
167.07047	29.0
168.07388	1.3
179.03403	1.2
179.05508	3.0
188.05556	1.5
188.07108	14.9
191.03400	2.0
193.04984	16.1
202.64372	1.0
206.08134	9.8
211.05988	1.8
218.06650	1.3
232.06120	12.0
250.07086	2.5
277.52762	1.2
334.09229	2.0
353.08707	1.7
371.09830	2.4
373.11353	23.5
374.11652	2.5
394.11185	5.0
412.12448	38.8
413.12766	4.1
511.59229	1.0
803.73798	0.9
812.41241	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4049
Annotation	Withanoside VI
Peak:m/z	Relative Intensity
59.01235	1.3
60.31883	1.1
61.98690	1.1
63.96082	1.2
71.01250	11.4
73.02811	2.1
78.95766	4.9
78.98463	8.1
79.68327	0.9
79.95606	29.7
80.96387	100.0
85.02795	2.6
87.00739	3.9
94.97956	20.6
97.02830	2.6
98.20540	3.2
98.70229	1.0
101.02316	2.6
106.97984	3.8
117.92340	1.1
122.97450	3.4
125.02316	3.5
134.97455	8.0
136.98997	2.0
141.89629	1.1
148.99057	9.1
152.98479	8.1
152.99545	1.6
164.98535	14.9
193.46919	1.3
206.99625	4.4
208.10350	1.2
225.00687	30.5
255.23390	3.0
267.99002	1.3
507.14981	1.5
525.16760	1.6
735.40765	2.6
756.70624	1.3
763.39355	36.4
763.53442	1.9
764.40045	7.4
781.40485	66.0
782.40698	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	785.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	0.9
59.66791	0.3
60.80908	0.3
61.98699	5.1
62.41024	0.3
71.50678	0.4
77.03856	0.3
78.95782	0.8
89.75459	0.3
91.01755	0.3
93.03368	0.5
95.41595	0.3
96.95864	0.3
98.51470	0.3
108.90086	0.4
120.02045	0.8
121.02841	100.0
122.03162	2.8
136.01569	0.3
152.99460	0.4
165.01817	2.8
174.64732	0.3
181.06532	2.6
191.03419	2.2
191.05522	1.6
197.11740	1.5
209.04492	67.5
210.04829	3.4
225.05518	2.5
225.11298	0.4
253.09265	0.4
267.01984	0.3
299.05603	0.3
313.07193	4.3
357.06305	1.6
399.25223	0.3
401.08713	11.2
402.09152	1.0
544.55005	0.3
575.12079	0.3
785.16827	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4049
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57588	0.5
58.51903	0.5
59.01246	1.3
61.98705	2.0
63.96110	2.0
64.38302	0.5
69.03326	0.9
70.70560	1.4
70.70901	0.7
71.01241	8.1
73.02810	1.8
78.95791	6.1
78.98463	7.0
79.95119	0.7
79.95604	28.4
80.96387	84.8
81.03323	1.3
82.95975	0.9
85.02809	2.2
87.00745	3.3
93.66297	0.5
94.97956	20.0
96.95871	1.8
97.02827	1.5
99.00746	0.7
101.02307	2.4
106.97967	3.9
113.02316	0.6
122.97484	4.3
125.02360	3.7
127.03878	0.6
134.97507	5.7
135.92548	0.6
136.98997	1.7
146.97504	0.7
148.99028	6.9
149.99124	0.6
152.98512	7.2
152.99524	1.2
164.98541	14.5
179.00266	0.6
206.99651	3.8
207.10168	0.9
209.11839	4.0
225.00693	26.8
226.01059	1.2
227.12831	0.7
241.01068	2.1
255.23293	4.6
256.23642	0.9
283.04907	1.1
334.77701	0.6
341.05188	1.1
425.14709	0.8
507.15637	1.2
525.16748	1.4
537.27313	2.3
547.10712	0.8
735.39349	0.8
737.37775	1.1
763.39343	20.4
764.39349	5.5
781.40430	100.0
782.40784	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	781.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
58.63004	0.5
59.01257	1.2
59.30463	0.5
61.98703	10.0
66.42190	0.6
68.99706	0.6
69.63715	2.4
69.64124	1.0
71.01275	0.6
85.02821	1.1
90.37067	0.5
93.03333	5.9
95.01237	0.9
95.04922	1.1
96.95867	0.7
105.03333	0.4
107.46459	0.5
108.02058	1.2
109.02844	2.2
121.02843	10.4
122.03632	14.0
123.00771	0.6
123.04391	2.1
125.02377	0.7
132.02054	1.6
133.02870	4.7
134.03639	3.6
135.04457	2.4
135.68462	0.6
136.01556	7.9
137.02332	2.4
139.03886	0.5
145.02837	3.7
146.03638	3.1
147.04408	3.6
149.02344	33.6
149.05984	5.0
150.03125	100.0
151.02194	0.9
151.03925	20.4
153.01816	0.7
153.05534	0.7
155.03433	0.6
159.04428	1.0
160.05208	1.5
161.02354	2.1
161.05974	2.3
162.03157	3.0
163.03954	3.6
164.04700	9.9
165.01820	4.4
165.05476	88.4
166.02689	0.7
166.05850	4.3
168.04172	1.0
168.42953	0.5
173.04475	1.1
174.03162	0.5
175.03923	2.8
175.07562	1.5
176.04704	0.9
177.01904	0.8
177.05467	6.2
178.06142	0.5
179.03433	2.7
179.05560	0.8
179.07019	8.3
180.04193	10.2
181.04930	2.0
188.04733	0.9
189.05505	1.2
190.06284	2.6
191.03456	1.5
191.05510	4.4
191.07060	2.4
192.04123	1.0
193.04979	1.9
194.05801	3.0
195.06549	51.6
196.06903	2.1
198.30534	0.6
203.07057	0.7
205.08618	3.0
206.05774	0.7
207.06555	3.6
208.07295	2.2
209.11754	1.3
221.08102	1.0
225.07597	3.0
227.12900	0.8
251.09157	1.0
253.05051	0.6
269.08206	2.9
281.08139	0.7
283.09644	1.3
298.08661	0.6
299.09195	1.9
311.09045	3.4
312.09836	0.8
313.10690	1.2
314.07990	0.8
314.11441	4.3
315.12149	1.1
325.10831	0.6
326.11594	2.5
327.12219	0.7
329.10306	0.6
329.13931	12.2
330.14056	0.8
339.12491	0.6
341.13858	4.7
343.11746	1.8
344.12082	0.5
345.13272	1.8
355.11380	0.6
356.11932	0.6
359.15033	10.8
360.15189	0.5
373.12900	5.7
389.15741	0.7
413.16232	1.2
421.14865	2.2
443.16797	0.6
462.16409	0.7
490.30539	0.6
493.18637	0.8
506.18835	0.7
507.20279	17.4
508.20380	1.9
519.20282	0.7
521.32751	0.8
536.21002	1.0
537.21246	19.0
538.21484	3.1
551.18799	1.1
555.22375	4.7
566.21570	0.8
567.21985	1.8
583.21429	0.7
585.23419	4.3
586.23370	0.9
591.21997	2.4
621.23218	0.6
639.23907	1.7
640.23480	0.6
685.26489	14.5
686.26862	4.0
697.26337	1.2
703.27826	0.6
715.27600	8.5
716.27350	1.9
733.28522	7.7
734.28992	1.2
745.28931	2.4
746.28906	0.6
763.29865	2.7
781.30463	3.2
782.30682	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97226	0.8
59.00964	1.4
59.01252	26.7
69.03323	50.3
70.03658	1.7
71.01250	21.2
71.37327	1.4
72.99184	2.8
73.02831	1.9
81.03320	2.4
83.01246	1.0
85.02821	4.5
87.00748	1.7
89.02316	24.1
93.03318	1.3
95.01220	1.8
95.04911	5.1
97.02818	4.9
97.88599	1.0
99.04367	3.0
101.02309	12.8
107.04940	1.4
113.02330	10.0
118.32175	0.8
119.03384	9.5
119.04849	1.3
121.02801	3.8
121.06470	9.3
123.04369	1.8
125.05978	2.6
135.04402	1.2
139.07532	1.5
143.03345	2.0
149.05952	3.2
151.03940	1.0
151.07558	17.2
161.04475	1.9
167.07137	1.1
169.08607	5.2
179.05530	2.8
191.05507	3.9
193.04988	5.5
194.05309	1.1
195.06529	9.8
212.35028	0.9
227.05486	1.4
274.26718	0.8
373.11389	6.5
374.11575	2.6
375.12939	100.0
376.13376	9.7
377.13419	1.5
511.66876	0.8
523.26208	1.0
622.82806	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	2.2
62.28203	1.8
69.37839	3.9
69.38247	15.7
71.01249	4.1
78.95776	36.1
89.02321	4.9
96.95922	17.9
96.96844	100.0
101.02305	2.8
119.03371	3.0
131.22807	2.3
136.41920	2.3
178.13493	2.8
191.05539	4.5
341.10754	18.4
439.08652	28.8
440.08990	3.1
500.37827	2.2
616.97156	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	781.256
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71300	0.8
55.01757	2.2
57.03313	2.4
58.00462	3.9
59.01249	76.8
65.00187	0.8
65.03838	2.4
67.01759	2.5
68.99685	51.3
69.03329	22.6
69.34869	3.0
69.35300	4.2
71.01253	59.8
71.42389	0.9
72.99176	3.9
73.02820	5.9
75.00785	1.0
75.02271	0.8
77.06605	0.9
83.01256	5.2
83.04892	0.8
85.02821	32.6
87.00752	3.1
88.98685	1.1
89.02317	47.4
89.83364	0.8
91.01750	5.8
93.03331	30.8
95.01249	4.4
95.04906	2.4
97.02829	1.6
99.00755	2.8
101.02322	89.8
102.02685	1.8
106.04174	1.3
107.04911	18.9
108.02079	1.2
113.02332	30.1
113.71124	0.9
119.01318	2.0
119.03392	19.5
119.04913	3.0
121.02842	46.3
121.06481	16.6
122.03164	1.1
123.04453	1.0
125.02346	2.5
127.03901	2.9
130.04160	0.9
131.03401	3.2
131.04834	1.2
133.02844	1.5
135.04413	3.5
135.08112	0.9
137.02319	2.0
143.03394	6.1
143.04868	1.7
145.06445	4.6
147.04424	8.5
148.05199	75.8
149.02338	4.9
149.04463	1.4
149.05637	2.9
150.03159	2.2
151.03906	7.9
153.05460	21.6
158.03658	1.5
159.80997	0.9
161.02252	1.0
161.04475	8.8
161.05745	1.4
163.03903	2.6
163.07561	43.6
164.07919	1.7
165.01813	4.2
165.05501	6.5
171.04434	5.2
173.04568	1.2
173.05959	8.2
179.03416	25.3
179.05502	8.1
179.07001	1.6
180.03813	1.3
181.04950	6.5
187.07550	1.7
189.05505	2.4
191.05492	4.5
191.07089	2.9
193.04956	1.2
195.06476	2.3
197.04485	8.0
199.03838	1.3
205.08640	4.0
207.06607	1.9
215.07074	1.0
217.05055	1.9
221.04494	1.2
223.09758	1.9
229.07106	3.4
231.06635	2.9
235.06134	1.2
249.07698	7.0
259.06088	1.0
267.08768	2.7
273.07657	2.4
291.08600	2.2
303.08521	1.1
309.06671	1.0
309.09787	22.3
310.10324	1.0
341.08743	100.0
342.09064	7.1
379.10309	1.2
393.16101	1.2
411.12979	17.5
412.13217	2.5
429.13992	39.5
430.14294	2.7
433.14618	0.9
439.12451	0.9
471.15015	2.1
473.18359	14.5
474.18747	1.8
505.17151	70.7
506.17233	9.5
525.16699	0.9
557.19757	1.8
573.18280	1.2
575.21381	6.0
781.29456	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36290	0.9
59.01255	5.2
60.25663	0.8
61.98689	1.2
64.15491	0.9
68.99702	1.6
69.03329	1.1
69.48158	6.4
70.19749	1.0
71.01254	3.7
76.56311	0.8
78.95754	0.8
82.28927	0.9
82.57004	0.9
85.02820	1.8
89.02312	5.0
93.03326	6.2
95.01254	2.2
96.95909	1.4
101.02305	5.5
108.02076	2.0
113.02332	1.8
118.19856	0.9
119.03373	2.1
121.02859	5.6
122.03634	11.8
123.00796	1.0
123.04456	6.6
131.33481	0.9
132.02061	1.3
133.02859	1.9
134.03633	1.1
135.04408	1.7
136.01556	2.6
137.02348	1.8
146.03630	1.8
147.04405	1.2
149.02344	27.1
149.05980	1.1
149.66422	1.0
150.03134	75.1
151.03539	4.2
155.03424	7.6
160.01579	2.7
161.02370	1.0
161.04510	0.8
161.05962	1.3
164.04703	7.3
165.05481	67.3
166.05856	2.6
171.10172	1.6
173.04501	2.5
175.03952	3.9
177.05510	3.1
179.03465	1.5
179.05524	9.3
179.07062	5.0
179.46423	1.0
180.04181	4.1
181.04985	1.5
190.06311	1.5
191.05513	10.5
191.06976	1.3
193.04982	3.6
193.21368	0.8
194.05617	1.0
195.06551	51.4
196.06943	2.5
207.06557	1.2
209.08144	1.3
209.11867	1.6
212.08369	1.5
220.05315	1.0
221.06197	1.1
222.05287	2.5
225.05658	2.2
225.07607	2.0
237.05623	2.4
238.06207	1.9
240.07866	2.5
243.06534	1.2
244.07231	1.6
249.05630	1.2
250.06230	0.9
251.07172	1.5
252.07835	1.1
253.05038	1.1
255.06468	1.4
255.10274	1.5
256.07437	1.4
265.05081	1.6
266.05920	1.4
267.06567	3.5
268.07404	10.0
269.07959	2.1
270.08975	1.0
271.09488	1.1
277.05005	1.2
278.05740	1.9
279.06531	2.2
280.07388	3.4
281.08078	2.4
283.06113	3.2
283.09750	10.0
284.06866	2.8
284.10016	1.3
285.04163	1.1
293.08215	1.8
295.06308	1.9
295.09378	1.1
296.06918	4.7
297.07626	3.9
298.08487	3.0
299.09369	4.6
300.09607	1.5
307.09454	1.0
308.06934	8.5
308.10287	1.8
309.07718	9.6
310.08160	2.2
311.05585	3.6
311.09256	3.8
312.06445	9.7
312.09790	2.3
313.10849	5.0
314.11002	1.1
321.07620	2.0
322.08487	4.1
323.09216	15.1
324.06339	4.8
324.10031	9.2
325.07010	1.5
325.10602	2.7
326.07889	5.9
326.11508	2.2
327.04877	1.7
327.08743	28.8
327.12286	2.9
328.09326	3.1
337.10745	2.2
338.11520	6.7
339.08707	41.7
339.12418	9.7
340.09146	5.5
341.10419	8.4
342.06894	1.3
342.11072	28.5
343.11835	28.8
344.12210	2.2
353.10010	1.8
354.11014	13.1
355.11801	4.8
356.12427	3.5
357.13431	100.0
358.13730	11.3
369.13412	97.7
370.13766	11.3
373.12057	2.0
387.13794	2.7
391.14072	3.2
415.12238	1.3
505.18564	1.9
511.14670	7.5
512.14941	1.5
535.19763	15.9
536.20087	3.3
553.20844	1.1
581.18909	3.7
583.21820	6.2
584.22040	1.6
671.25220	3.1
683.24811	3.6
684.25238	1.3
701.25848	3.7
702.25867	1.2
731.26904	7.0
779.26471	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	779.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00456	2.8
59.01252	41.9
60.99165	1.0
67.01746	1.2
69.03324	43.8
69.17669	7.8
69.71151	0.7
70.03643	1.2
71.01252	32.7
72.99170	2.5
73.02831	1.0
85.02824	5.7
87.00726	1.9
89.02316	30.2
93.03326	9.1
95.01264	2.4
95.04854	1.8
97.02827	52.9
98.03157	1.3
101.02317	14.9
105.03337	3.3
106.04130	1.0
107.04902	1.0
113.02329	10.8
118.53046	0.8
119.03381	12.5
119.04862	1.4
121.02821	2.6
121.06491	2.6
123.04411	9.1
131.03365	1.4
141.01843	1.9
143.03458	1.4
149.05994	18.3
151.07622	1.0
161.04428	1.8
163.03874	0.9
167.07063	7.3
179.05496	4.7
193.04991	41.3
194.05289	1.8
291.64227	0.8
366.54144	0.7
373.11386	100.0
374.11679	8.1
375.12994	6.4
389.10651	1.3
564.40674	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01276	1.9
61.98704	3.9
65.00185	0.7
68.99674	0.7
71.01267	1.4
73.02848	0.7
85.02834	1.6
87.00766	1.3
89.02293	0.8
91.89606	0.6
93.03340	6.1
94.01541	0.6
94.84812	0.7
95.01302	0.8
101.02335	1.3
108.02073	1.9
109.02853	0.9
121.02831	7.3
122.03635	18.0
123.04388	2.0
124.01596	1.2
125.02387	0.9
132.02115	0.9
133.02850	2.5
134.03569	1.3
135.04411	1.8
136.01579	2.8
137.02403	3.3
146.03676	0.7
147.04375	1.0
149.02357	24.1
150.03134	99.7
151.03537	4.5
155.03395	1.5
155.59102	0.7
160.01524	1.8
161.02359	0.7
161.52554	0.7
162.03142	2.2
164.04727	5.9
165.05487	100.0
166.05836	5.0
171.10240	0.8
173.04376	1.8
175.03897	2.6
177.01846	0.8
177.05521	5.4
179.03391	1.8
179.07047	3.9
180.04196	7.2
190.06284	1.5
191.05531	10.5
192.07751	1.1
193.04933	0.9
195.06566	65.2
196.06883	3.9
203.07056	1.2
207.06357	0.7
209.11705	2.4
220.07257	2.8
222.05124	0.9
224.06914	1.2
225.05486	1.0
227.07040	1.0
238.06296	1.6
239.07170	1.2
240.04224	0.8
240.07829	3.1
241.05054	1.2
243.06650	0.9
250.06354	0.8
251.07277	1.1
253.04839	1.1
253.08701	1.7
255.02855	0.9
255.06662	1.7
256.07428	1.6
265.05267	0.9
265.08719	0.7
266.05780	1.2
267.06625	2.6
268.07480	7.7
269.07990	2.1
271.09772	1.3
278.05792	1.5
279.06546	1.5
280.07214	2.3
281.08047	1.3
283.06161	2.2
283.09705	7.4
284.03506	1.6
284.06827	2.0
285.04056	11.6
293.04935	0.9
293.08221	2.0
294.05411	1.4
294.08759	1.1
295.06079	1.7
296.06778	3.8
297.07523	1.7
298.08313	1.4
299.09195	2.7
307.06021	1.5
308.07062	4.3
308.09991	1.1
309.07675	5.5
310.08218	1.6
311.05487	2.6
311.09171	5.6
312.06281	6.0
312.09875	1.6
313.07028	0.9
313.10709	2.3
321.07556	1.5
322.08524	4.1
323.09244	11.1
324.06259	4.8
324.09927	7.7
325.07056	1.1
325.10654	1.5
326.07855	5.4
326.11514	1.6
327.04831	1.4
327.08719	20.4
327.12173	1.6
328.08994	2.1
329.10104	0.9
336.63083	0.7
337.10666	1.7
338.11618	5.1
339.08765	33.3
339.12393	6.2
340.09140	4.8
341.10312	6.5
342.11084	23.9
343.11734	14.3
344.12192	0.9
354.11084	11.3
355.11597	2.9
356.12506	4.2
357.13440	67.7
358.13828	10.2
368.11670	0.7
369.13419	74.9
370.13733	9.8
373.12640	0.9
375.14139	0.7
387.14374	1.7
391.14145	1.2
535.19379	2.7
536.19843	0.9
583.21759	3.3
619.62970	0.9
671.24561	1.8
683.24695	3.1
701.25531	2.3
702.25806	1.1
725.43604	0.7
731.26904	8.5
732.27057	2.8
761.26099	0.8
779.27844	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	777.2983
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56549	1.0
57.84737	0.9
59.01246	10.2
61.98699	13.5
68.99674	1.2
69.03292	1.3
71.01255	6.6
73.02808	1.4
85.02815	5.1
87.00743	2.2
89.02319	3.8
93.03322	7.6
95.01239	2.6
96.95915	1.1
98.20590	2.3
101.02322	4.0
102.02589	1.1
105.03220	1.0
108.02047	21.2
109.02248	1.3
109.02855	13.6
111.00748	2.3
113.02327	2.1
113.27399	1.1
117.82793	1.0
119.04872	1.5
121.02851	6.0
122.03629	15.1
123.00717	2.5
123.04388	1.8
124.01525	3.1
127.03905	1.1
128.03441	1.3
132.02063	1.4
133.02831	3.5
134.03615	2.6
135.04475	2.0
136.01509	1.2
137.02345	7.8
138.03096	2.5
139.00261	2.0
139.03903	4.2
146.03581	1.3
147.04398	4.0
149.02344	29.7
149.05978	3.9
150.03127	100.0
151.03831	7.2
152.01056	19.5
153.01817	8.5
155.03401	1.7
155.10616	1.4
161.02292	2.7
161.06105	1.0
162.03206	2.3
163.03912	2.9
164.04721	6.9
165.01884	9.8
165.05478	89.7
166.02567	2.4
166.05913	4.5
173.04440	2.7
174.03131	2.0
175.03870	7.7
176.04666	2.2
177.05556	5.5
178.02605	1.2
179.03377	5.5
179.07048	4.6
180.04181	16.1
181.04924	2.3
188.04666	2.9
189.05475	4.6
190.06296	9.8
191.05504	22.0
191.07076	6.3
192.05803	1.5
193.04996	4.4
194.03941	1.1
194.05759	7.6
195.06552	59.6
196.06866	3.4
199.09743	1.5
205.08653	8.6
207.06557	5.8
208.07262	2.5
225.07661	5.4
240.04219	1.0
255.02988	1.4
283.02420	2.1
285.03937	1.3
298.08582	1.1
313.11050	1.6
328.09497	1.3
329.13959	4.6
341.10107	1.2
341.13931	2.9
359.10776	1.4
359.14944	3.6
374.13693	1.7
375.14471	3.1
387.14459	4.3
388.15149	2.7
389.16098	39.0
390.16397	4.8
405.15222	1.5
417.15833	1.5
418.16116	2.2
419.16916	7.1
507.20349	4.3
537.21997	6.7
552.19928	3.7
555.22290	14.2
556.22723	2.1
567.22351	53.0
568.22369	10.7
585.23230	2.5
597.23071	2.5
599.66785	1.3
615.24408	48.4
616.24890	9.7
636.11206	1.1
777.28174	28.5
778.28369	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	777.298
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	7.2
61.98703	1.0
67.01756	1.7
69.03356	0.8
69.18349	7.3
71.01263	3.3
72.05350	0.6
81.79232	0.7
85.02831	2.7
86.91206	0.7
87.00749	1.3
89.02340	1.0
93.03338	3.4
95.01286	1.1
95.04875	1.3
97.02837	1.7
98.19839	1.4
101.02303	1.9
103.34518	0.6
107.04928	0.7
109.02839	4.8
111.00767	1.1
111.18564	0.7
111.72182	0.7
113.02338	1.6
117.90809	0.6
119.01307	0.9
119.04902	0.7
121.02846	6.3
122.03622	2.6
123.04420	1.3
125.06057	0.6
127.03904	0.9
135.04436	4.8
136.01567	1.4
137.01401	1.2
137.02354	16.0
139.00279	0.9
139.03831	0.8
145.02818	0.8
147.00797	1.1
147.04419	1.5
148.62318	0.6
149.02361	11.6
149.05943	1.0
150.03142	21.4
151.03833	2.7
152.01051	1.3
153.01787	3.2
153.05547	1.3
155.03433	0.9
161.02399	2.4
161.05956	1.0
162.03146	1.4
163.03940	5.5
164.01126	1.7
164.04736	4.9
165.01852	100.0
165.05481	21.4
166.02313	4.9
166.05960	2.0
167.03369	1.1
173.04520	1.5
174.03116	1.2
175.03931	6.6
176.04689	1.9
177.01874	1.5
177.05493	3.1
177.72340	0.7
179.03432	23.5
179.04945	1.6
179.07053	2.9
180.04210	62.2
181.04755	4.4
188.04755	1.8
189.05501	3.2
190.06297	9.6
191.05536	12.9
191.07083	5.2
192.07454	0.8
193.04979	5.2
194.05757	10.5
195.02888	2.6
195.06564	74.3
196.06862	4.5
203.07155	1.2
205.05005	0.7
205.08643	9.1
207.06624	6.4
208.07372	5.4
209.08063	2.3
210.05283	10.5
211.05676	0.9
222.09052	1.5
225.07648	42.5
226.07974	2.6
269.08237	1.0
283.09650	1.0
297.11374	1.8
311.09402	1.6
314.11749	1.7
329.13971	3.0
341.13940	2.4
344.12759	1.7
345.13409	2.9
353.08722	0.9
357.13406	2.2
358.14334	2.5
359.14996	41.5
360.15454	4.2
373.12079	1.0
374.13535	1.2
375.14368	1.3
388.15411	3.7
389.15945	7.3
390.16565	1.0
462.17047	1.3
477.19131	3.0
507.20291	16.0
508.20428	2.4
525.21130	1.5
537.20087	1.6
552.20178	3.1
555.22314	24.9
556.23047	3.2
567.22369	57.0
568.22693	10.0
615.24487	44.7
616.24585	6.6
729.28473	0.8
754.51855	0.7
777.29156	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	777.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	1.0
57.03329	1.0
58.00465	2.1
59.00957	1.9
59.01254	38.6
60.99164	1.3
62.50999	0.8
67.01759	0.9
69.03329	37.9
69.38478	4.7
69.38908	2.3
71.01258	28.8
72.99191	1.7
73.02823	1.2
85.02834	6.6
87.00776	2.9
89.02321	28.5
93.03342	9.8
95.01270	2.0
95.04903	1.9
96.54484	0.8
97.02834	54.1
98.03155	1.9
99.00784	0.8
101.02335	14.6
105.03345	3.1
107.04945	1.6
108.02070	1.1
111.00780	1.0
113.02338	11.8
119.03394	10.1
119.04914	2.7
121.02845	5.9
121.06487	2.8
123.04427	11.5
130.46301	0.9
131.03418	1.5
133.02872	2.6
135.04395	2.4
137.02328	1.5
137.06000	1.0
141.01868	2.1
143.03423	1.8
145.02866	1.2
147.04448	5.6
149.05991	20.7
151.03967	1.3
153.05537	1.1
161.04532	2.1
163.03908	2.5
165.05499	2.1
167.07043	10.0
179.03503	1.3
179.05537	4.3
181.04941	1.4
191.03441	3.6
191.05548	3.5
193.05006	43.5
194.05359	2.7
207.02870	1.5
214.66457	1.0
240.96892	0.8
373.11401	100.0
374.11789	9.5
403.12473	2.2
471.60095	0.8
535.61279	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.2824
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	1.2
67.01762	0.5
68.99681	0.6
71.01254	0.8
73.79912	0.3
79.17565	0.3
83.86137	0.4
85.02829	0.9
93.03345	4.1
95.01266	0.6
95.04935	0.4
101.02343	1.1
105.03345	0.7
107.04903	0.4
108.02068	0.5
109.02837	0.8
121.02840	5.3
122.03632	14.8
123.00765	1.1
123.04408	0.7
124.01556	1.1
125.02331	0.6
133.02852	1.6
134.03615	0.4
135.04407	1.6
136.01566	4.0
137.02335	4.4
139.03894	0.9
147.04486	0.4
149.02348	19.2
150.03131	93.9
151.00288	4.7
151.03616	4.6
152.01006	0.9
152.04666	0.7
155.03401	0.5
161.02341	0.5
163.03934	0.7
164.04726	3.0
165.01840	10.8
165.05484	100.0
166.02638	14.8
166.05791	4.4
167.03360	1.3
173.04474	0.6
175.03888	0.9
176.83014	0.4
177.01862	1.1
179.03404	3.8
179.06935	0.4
180.04199	11.7
181.04987	20.7
182.05339	1.1
187.03986	0.6
190.06262	0.5
191.05551	3.2
192.04233	0.8
195.06560	91.7
196.06894	4.4
205.05038	1.9
207.06598	0.6
210.05269	1.5
220.07275	0.9
221.08087	0.7
223.06088	0.5
225.07649	6.9
230.13409	0.4
311.10168	0.7
329.10306	0.4
357.13541	0.5
359.11191	0.4
372.12051	1.2
387.10706	2.1
387.14792	10.5
388.10583	0.6
388.14825	1.5
399.14850	0.5
402.13385	1.8
403.13919	1.1
417.15533	32.6
418.15903	4.5
535.19678	0.7
565.20685	8.2
566.21362	1.9
583.21954	2.0
595.22119	1.5
613.22845	18.2
614.23486	4.1
643.23785	0.7
784.28314	0.4
788.63165	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	0.8
57.03320	1.4
58.00198	0.8
58.00463	5.6
59.01249	100.0
60.01585	1.0
61.98700	3.8
67.01753	1.3
68.99683	6.1
69.03315	2.8
71.01251	82.1
71.51695	1.4
72.01583	1.0
72.99182	7.7
73.02825	2.1
75.00732	1.7
83.01257	2.6
85.02817	15.4
86.03143	1.3
87.00758	7.6
89.02314	89.2
90.02672	0.9
93.03330	6.9
95.01265	9.1
95.04912	1.1
96.95908	1.9
97.02865	0.9
101.02322	41.8
102.82659	0.9
107.04898	1.0
109.02827	2.9
111.00813	0.8
113.02332	27.0
119.03384	33.0
121.02820	3.1
122.03700	1.2
123.00748	1.2
123.04408	3.6
125.02330	1.1
128.97118	0.8
131.03409	5.5
133.02853	1.4
135.04407	3.9
136.01578	1.7
137.02356	3.9
138.03113	1.0
143.03424	7.5
146.03610	1.6
147.04356	1.1
149.02364	3.9
149.04457	3.9
150.03133	6.7
151.00301	1.9
151.03893	3.5
153.01836	1.2
153.05437	2.4
155.03418	6.1
161.02379	1.6
161.04462	8.7
161.05775	1.6
162.03134	1.6
164.04721	2.2
165.01900	3.0
165.05414	5.1
166.02652	4.8
173.04442	2.4
175.03899	1.9
176.01067	1.1
177.01828	3.8
177.05449	3.3
179.03462	3.3
179.05516	18.7
179.06995	1.8
180.04100	2.8
181.04942	5.3
184.31155	0.8
191.03665	1.6
191.05547	20.9
192.04146	3.2
192.05862	1.9
195.06548	6.9
204.04314	0.9
205.04977	1.3
207.06566	3.6
209.11765	1.5
223.06023	1.5
225.07654	3.5
240.10155	1.4
283.02609	1.0
283.10883	6.8
285.04062	4.8
294.04788	0.9
299.18555	1.6
311.10339	2.2
327.09900	5.9
355.09433	1.5
367.11633	1.0
374.56012	1.0
387.11285	0.9
387.14777	1.3
416.14764	2.6
417.15457	4.1
447.09409	1.8
511.21747	3.7
565.20764	9.9
566.21265	1.8
595.21661	1.1
596.55884	1.0
613.23328	1.7
775.24866	4.0
778.77209	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.282
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	1.6
61.98697	0.4
65.00208	0.5
67.01728	0.5
68.99677	0.8
69.03318	0.6
69.28955	0.4
69.48769	1.7
69.49181	1.4
71.01245	1.7
81.03329	0.7
85.02825	0.6
89.02303	0.8
93.03336	4.9
94.36635	0.4
95.01254	1.2
95.04912	0.6
97.02835	0.6
98.19865	0.8
101.02322	1.7
105.03342	0.5
107.04939	1.1
108.02061	0.8
109.02840	4.3
113.02370	0.4
121.02841	7.3
122.03631	14.0
123.00759	1.6
123.04429	1.9
124.01516	0.8
125.02319	1.2
130.25172	0.4
131.04836	0.4
132.02055	0.6
133.02834	2.4
134.03595	0.6
135.04453	1.1
136.01535	1.6
137.02342	13.4
138.03108	0.7
139.00246	0.6
139.03876	0.9
147.04395	1.1
148.01569	0.5
149.02344	27.9
149.05925	1.1
150.03123	100.0
151.00278	7.2
151.03789	4.6
152.01004	1.3
152.04681	3.9
153.01868	1.0
153.05444	1.2
155.03406	0.6
159.04417	1.1
161.02336	1.3
162.03024	1.0
163.03896	0.8
164.04706	6.1
165.05476	99.7
166.02628	21.9
166.05785	4.3
167.03412	3.5
173.05885	0.5
175.03970	2.0
176.04694	0.7
177.01877	2.4
177.05418	2.2
178.02615	1.6
179.03366	1.6
179.07007	1.3
180.04208	5.3
181.04971	32.4
182.05371	1.2
184.03725	2.0
187.03874	2.6
189.01944	0.4
189.05602	0.8
190.02573	0.6
190.06287	1.2
191.03484	1.1
191.05516	2.5
192.04161	0.7
193.04984	2.7
195.06548	55.5
196.06876	3.5
202.06174	0.9
203.03419	0.7
204.04213	0.6
205.05002	6.5
205.08731	0.5
206.05687	0.9
207.06532	1.4
217.08690	0.5
219.06630	0.9
220.07364	5.7
221.08041	1.0
235.09763	0.4
266.06039	0.4
267.06525	0.6
269.84302	0.5
282.05386	1.6
306.75403	0.4
311.09470	0.4
315.00748	0.4
315.08704	1.8
316.09106	0.5
325.07159	0.6
325.10837	0.5
329.10239	1.6
339.08563	1.0
341.10303	0.7
356.12335	0.8
357.09555	0.5
371.11420	0.6
372.12033	1.3
386.13660	1.3
387.10632	3.6
387.14957	6.7
388.10901	0.7
388.15179	0.8
399.14514	0.9
402.13141	3.7
403.14111	2.5
404.14090	0.6
416.14749	3.0
417.15521	51.6
418.15866	6.0
505.14636	0.7
511.21301	0.5
520.17548	0.7
535.16626	3.2
547.19495	0.8
550.18146	1.5
565.20734	63.1
566.21088	10.1
583.22021	1.9
595.21887	2.0
596.21869	0.7
613.22888	36.5
614.23059	6.7
775.28363	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.2824
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	4.3
61.98700	1.2
67.01756	1.8
68.99692	3.0
71.01254	3.6
71.07409	1.5
72.99183	0.7
84.69508	0.7
85.02821	1.9
87.00748	0.8
87.76210	0.6
89.02309	2.2
93.03326	3.1
95.01244	1.5
96.95893	10.2
96.96834	1.4
101.02329	4.0
108.02078	0.7
109.02853	2.4
111.00804	0.8
111.27232	0.7
113.02318	1.3
121.02831	6.4
122.03635	2.1
123.00769	2.0
123.04453	1.5
124.01570	0.7
125.02338	0.8
127.03902	1.0
133.02849	0.7
135.04419	4.9
135.64182	0.7
136.01563	12.4
137.02351	18.7
138.02834	0.7
147.00697	0.8
147.04419	1.4
149.02272	1.2
149.06068	0.9
150.03094	2.4
150.84897	0.7
151.00294	3.7
151.03912	16.9
152.01033	1.6
152.04262	0.9
153.05484	1.4
155.03433	2.4
160.05247	0.8
161.05960	1.1
162.03078	2.1
163.03946	2.6
164.01051	2.9
165.01842	100.0
165.05481	2.5
166.02602	12.2
167.03386	2.8
168.04195	1.0
169.87798	0.7
172.05260	1.2
173.04396	1.2
174.03073	0.7
175.03931	4.2
176.01041	1.6
177.01874	1.8
177.05510	1.5
178.02655	0.9
179.03424	24.2
180.04201	57.1
181.04961	16.5
189.05516	3.1
190.06276	5.7
191.03618	1.2
191.05539	8.4
192.04248	1.6
192.05917	1.0
193.01491	0.8
193.05008	1.3
194.05804	3.8
195.02943	3.3
195.06558	74.1
196.06952	3.3
205.40271	0.8
207.06560	2.9
208.71996	0.7
210.05240	10.2
211.05603	0.9
221.08125	1.2
223.06071	2.5
225.07640	51.5
226.02779	0.7
226.08026	2.7
269.01016	0.7
282.16479	0.8
284.03299	1.2
285.03860	1.3
299.05521	0.7
311.10260	0.9
313.03601	4.5
317.11783	0.8
327.09378	0.8
356.12650	2.0
357.09695	2.0
357.13489	4.7
359.11206	1.3
372.12155	2.9
373.12869	1.5
386.13855	3.5
387.14487	37.9
388.14801	5.2
520.17517	1.2
535.19611	1.6
550.18549	2.5
553.20880	0.8
565.20758	51.0
566.21008	10.6
595.22290	1.0
613.22821	27.5
614.23322	6.9
650.95874	0.8
775.27313	3.5
776.23584	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.2565
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01231	0.9
61.98706	0.7
65.99699	0.4
69.80154	1.9
71.01250	0.9
77.67153	0.3
80.04895	0.5
82.02835	0.6
85.02820	0.4
87.84828	0.4
89.02291	0.4
93.03313	0.7
98.19839	0.4
101.02306	0.7
106.02885	0.7
108.04446	5.0
118.02898	0.4
122.06017	2.8
132.04430	1.3
134.06033	0.4
135.04436	0.4
136.03940	0.5
137.02316	0.8
145.05116	0.3
147.03148	1.0
148.03920	0.5
150.03125	1.0
150.05542	0.6
151.03937	0.5
158.02351	0.7
159.03214	0.7
160.03951	13.9
161.04472	0.8
162.05493	0.8
165.01866	4.4
165.05510	0.7
166.02606	0.5
173.04657	0.6
174.05504	0.7
175.02637	1.0
176.07039	1.1
178.05048	0.4
179.03429	0.8
180.04219	2.4
180.80505	0.3
181.04953	0.9
186.01843	1.0
186.05623	0.4
188.03461	10.0
189.03983	0.6
190.04984	0.8
191.05482	1.8
195.06584	4.2
202.05037	0.7
202.49236	0.3
204.02969	3.7
210.05473	0.8
210.07611	0.5
211.06468	0.6
211.08673	0.8
211.12378	0.9
212.07190	0.7
218.04538	9.2
219.05083	0.8
220.06122	0.4
222.09238	0.4
223.08600	0.5
224.07242	0.4
224.09280	0.5
225.07683	4.9
225.09822	0.6
226.07382	0.5
227.08217	0.8
237.06778	0.7
237.10165	0.5
238.08661	0.5
239.06104	0.5
239.08189	0.5
239.11896	2.7
240.10509	2.1
241.09637	0.7
243.11411	1.6
250.09116	0.5
251.08249	1.5
252.09036	2.0
253.06261	1.4
254.06940	2.1
255.07683	2.3
256.08295	0.4
265.09842	1.0
266.08087	1.4
267.07834	2.1
267.11374	12.7
268.09619	3.2
268.12314	0.5
269.09277	4.6
270.09732	0.4
278.06882	0.7
280.04843	0.5
281.05688	7.8
281.08923	0.7
282.06305	1.3
282.09354	0.3
283.07260	1.1
283.10858	4.9
285.04077	0.7
293.09164	2.3
294.07669	1.7
295.07224	4.0
296.08008	5.8
297.08221	0.5
309.08810	4.1
311.10367	99.4
312.10687	8.4
312.14148	0.6
315.09824	0.5
327.09808	1.2
337.08301	16.0
338.08582	1.4
343.12897	1.1
355.09354	64.0
356.09647	6.5
387.11966	100.0
388.12320	10.9
417.15796	0.4
565.20874	0.4
613.22906	0.5
639.52100	0.4
775.24481	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.257
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	1.4
64.01131	0.3
66.21419	0.3
68.99680	0.5
69.55450	0.3
71.01273	1.0
80.04948	0.3
85.02869	0.7
89.02355	0.5
93.03365	1.1
101.02361	1.2
106.02875	0.5
107.04950	0.3
108.04430	5.2
108.05061	0.4
108.23093	0.3
109.02853	0.5
110.26026	0.3
113.02370	0.5
113.59869	0.3
119.03429	0.3
119.04948	0.6
121.02872	0.9
122.03642	1.3
122.06022	3.4
123.00806	0.5
123.04386	0.3
132.04474	1.3
133.02896	0.6
134.06018	0.5
135.04491	0.7
136.01544	0.4
136.03932	0.4
137.02336	2.4
145.05312	0.5
146.02408	0.4
146.06067	0.4
147.03186	1.0
147.04280	0.3
147.06848	0.4
149.02361	3.1
150.03140	10.6
150.04356	0.6
150.05565	0.9
151.00323	1.0
151.03897	1.1
152.04695	0.5
155.03391	0.6
158.02379	0.5
159.03242	0.7
159.04486	0.3
160.03944	14.8
161.04448	0.6
162.05562	1.2
164.04709	0.9
165.01852	3.6
165.05493	11.1
166.02629	2.8
166.05910	0.3
167.03395	0.4
173.04617	0.8
174.05606	0.6
175.02673	1.3
176.03423	0.5
176.07111	1.0
178.04929	0.4
179.03432	1.3
179.07036	0.6
180.04233	2.4
181.04984	3.7
182.08504	0.3
186.01917	0.8
188.03459	10.9
189.04044	1.1
190.05017	1.5
191.05530	2.7
191.07028	0.4
195.06583	10.3
202.05008	0.6
204.02942	3.1
210.05403	1.0
210.07990	0.4
211.06366	0.4
211.08740	0.6
211.12389	0.9
212.07256	0.7
212.10838	0.4
218.04539	10.2
219.05130	1.0
220.05969	0.7
223.08707	0.4
224.09305	0.7
225.07761	4.8
226.03748	0.3
226.07550	0.3
227.08273	0.8
229.19112	0.4
237.06642	0.6
237.10191	0.7
238.08844	0.4
239.08173	0.8
239.09543	0.4
239.11832	3.4
240.05313	0.7
240.10368	2.0
241.06178	0.4
241.09906	0.4
243.11435	1.1
251.08221	1.8
252.08995	2.6
253.06367	0.9
253.09724	0.3
254.06973	1.6
255.07703	2.2
255.11462	0.5
265.09912	1.2
266.08157	1.2
267.07880	2.3
267.11411	13.0
268.09692	3.7
268.12286	0.5
269.09317	5.3
278.06964	0.6
280.04819	0.8
281.05692	8.5
281.09189	1.0
282.06268	1.7
282.09805	0.7
283.07251	1.4
283.10892	4.3
293.09259	2.9
294.07422	1.2
295.07202	3.7
296.07983	6.4
309.08853	4.8
311.10373	98.4
312.10727	9.9
315.09500	0.9
319.21490	0.4
327.09964	0.6
337.08286	18.2
338.08722	1.6
343.12997	1.7
355.09354	66.3
356.09656	6.9
387.11935	100.0
388.12280	11.5
403.13715	0.4
417.15674	5.5
418.16049	0.5
421.31299	0.4
511.21582	0.7
535.15912	0.6
550.17749	0.4
551.17584	0.4
565.20813	7.6
566.21490	1.4
566.59027	0.3
613.22900	3.6
614.22992	0.7
803.92798	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.4323
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	0.8
57.03317	1.8
59.01252	6.0
61.98686	1.1
67.01761	0.9
69.03319	2.1
71.01248	5.0
71.15718	0.5
71.51574	1.0
72.99174	0.5
73.02815	1.3
78.95765	1.8
80.02551	0.9
81.03335	1.4
83.01256	0.6
83.04892	5.4
84.02001	0.6
84.60410	0.5
85.02819	11.9
86.03149	0.5
87.00753	2.3
88.98673	0.5
89.02324	3.4
93.03333	6.3
95.01251	0.8
95.04887	1.0
96.95889	3.7
97.02824	2.0
97.06470	1.4
99.00749	0.8
101.02340	5.2
107.29401	0.6
109.02824	0.7
109.06475	0.6
111.04360	1.1
113.02325	3.0
116.92744	1.1
119.03416	1.4
123.04351	0.6
125.02361	0.5
125.05953	0.5
125.09592	1.0
127.03879	1.9
127.11160	0.8
135.04411	1.6
135.15451	0.5
137.09621	1.8
145.04932	1.0
151.03836	0.5
152.99455	1.0
155.03369	1.0
155.10677	0.8
161.02324	0.7
161.04500	1.7
163.11191	4.4
165.12756	2.5
171.02951	0.6
171.10178	17.7
172.05077	0.5
172.10530	1.2
173.04445	4.0
173.05888	1.1
175.03983	0.5
178.02652	0.6
179.03499	0.9
179.05550	0.8
183.13814	1.8
187.03880	1.0
191.05537	48.7
191.10684	1.1
192.05902	2.0
197.11604	1.1
199.03912	0.9
200.04697	0.7
201.11246	1.4
207.10213	0.8
208.77010	0.6
209.11765	100.0
210.12091	5.4
211.03940	0.8
211.13344	6.3
212.13565	0.8
215.07137	1.0
221.11684	1.6
223.07550	0.6
225.11218	0.6
227.03398	1.5
227.12825	13.1
229.14455	5.7
233.06517	0.9
235.08160	7.8
239.12889	1.0
240.04124	0.9
253.09241	19.8
253.21767	0.6
254.09384	0.9
255.02950	1.2
277.08536	0.8
283.13498	1.0
284.03156	0.7
285.04044	1.2
291.19659	3.2
309.20700	7.2
311.12985	0.8
325.14423	0.6
327.21753	61.2
328.22110	6.1
329.13864	4.4
343.15518	0.7
369.13367	1.2
370.14258	0.8
374.22830	0.5
443.19122	3.6
445.20709	1.4
447.09329	0.9
519.33417	1.6
535.27155	0.6
537.24628	1.7
545.29413	0.7
555.29767	1.4
563.30518	2.4
581.27533	17.3
582.27991	3.4
755.32965	1.5
773.33942	4.8
773.46143	1.7
774.33453	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	773.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07696	0.2
56.35846	0.2
59.01258	0.6
61.98701	26.0
62.98396	0.3
63.99141	0.1
71.01247	1.1
78.95777	10.0
79.95607	2.6
85.02838	0.2
86.36290	0.2
87.00736	0.3
89.02318	0.2
90.26306	0.1
93.03336	0.3
94.97964	0.3
96.95889	100.0
96.96806	14.3
97.02803	0.2
97.95817	0.3
98.02345	0.5
98.19796	0.5
135.04408	0.3
144.20990	0.1
152.99451	0.3
169.12030	0.1
171.10161	0.7
179.03374	0.2
191.05502	1.3
194.42891	0.1
209.11671	0.3
211.13239	0.2
225.11198	0.3
229.45856	0.1
238.13245	0.2
253.09276	0.3
269.04825	0.2
270.27252	0.2
277.21579	0.4
285.03873	0.3
293.21106	0.6
311.22205	0.5
361.04349	0.2
397.13391	0.5
435.07858	0.5
453.09052	0.6
507.17615	0.2
643.91730	0.2
713.30518	0.7
773.42969	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.339
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03295	0.4
59.01256	2.6
61.98701	1.7
69.03319	0.7
69.21519	4.4
70.82713	0.4
71.01254	3.1
81.03320	0.4
83.04912	0.9
85.02821	13.0
87.00768	3.4
88.98647	0.4
93.03339	6.4
94.03666	0.6
95.01283	0.7
96.95895	1.7
98.20536	0.7
101.02280	0.5
109.02840	1.1
111.04433	1.3
127.03900	3.8
131.11243	0.4
137.02353	0.5
171.02974	0.8
171.10023	0.4
172.05165	0.9
173.04503	2.3
183.04341	0.5
185.05983	1.6
187.03897	0.5
187.07651	0.7
191.05539	79.0
192.05872	3.3
196.05182	0.6
197.05992	1.6
198.03140	1.4
198.06706	0.5
199.03905	1.3
200.04681	1.1
209.06000	0.8
209.11751	1.0
211.03947	2.9
211.07610	1.5
212.04701	1.4
213.05602	2.5
214.06187	1.0
215.07045	0.4
223.07462	0.5
224.04765	1.4
225.05557	3.7
225.09126	0.7
226.02650	1.9
226.06140	1.2
227.03444	2.4
227.07114	1.5
237.05611	3.1
237.09120	0.7
238.06255	0.7
239.07074	2.1
240.04305	1.9
241.05000	0.9
242.05876	1.7
249.05542	0.5
251.07088	1.5
253.05066	4.8
253.08771	1.4
254.05478	0.6
255.06656	2.6
263.07162	0.8
264.07889	0.6
265.05096	0.8
265.08585	0.4
267.06610	2.1
269.04504	0.7
274.04871	1.0
277.05527	0.6
277.08728	2.4
281.04553	5.0
281.07684	0.8
282.05023	0.7
283.13541	0.5
284.03174	0.6
295.09723	0.4
295.13007	0.5
305.08035	0.5
311.12842	0.5
323.13010	0.5
329.13849	1.2
340.13177	0.9
353.14145	0.6
364.13184	1.3
365.18045	0.5
366.14505	0.6
367.15509	0.5
368.16284	0.7
369.13379	1.2
381.17307	0.9
382.17847	0.6
391.15707	0.6
392.16348	1.4
395.14716	0.5
409.16412	2.5
410.17093	1.2
419.14523	0.6
437.15918	1.6
438.16586	1.5
443.19089	2.2
447.25742	0.5
465.26550	0.7
509.24973	3.8
510.26141	0.7
517.25952	1.6
535.27185	4.7
536.26917	0.7
537.28778	4.5
538.28833	1.2
553.28247	3.1
555.29767	1.1
563.26422	4.5
564.26776	0.8
581.27521	100.0
582.27930	19.5
582.35736	0.4
664.83246	0.4
755.31512	0.8
773.33917	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	773.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00738	2.0
56.57093	1.6
57.03333	1.8
57.90700	1.6
58.00444	2.2
59.00966	1.7
59.01252	31.4
61.98707	19.2
67.01414	2.2
67.01758	35.2
68.99686	37.7
69.02968	2.2
69.03326	41.0
69.32840	15.3
69.33238	3.3
71.01251	22.8
72.99184	3.0
73.02792	6.2
78.95789	3.0
83.01230	3.3
85.02819	21.5
87.00741	2.9
89.02320	19.1
93.03328	15.8
95.01262	21.6
95.04348	2.0
95.04900	32.8
96.95834	2.8
97.02781	5.6
98.19765	3.5
98.73271	2.1
101.02323	81.8
108.02085	3.4
109.02801	5.1
111.00756	23.3
111.04412	4.6
113.02346	27.0
119.03359	7.9
119.04869	5.5
121.02848	100.0
121.06463	4.4
122.03204	2.0
123.04417	34.4
125.02293	2.6
127.03901	77.5
128.04164	2.9
131.03349	2.6
133.02797	4.0
135.04399	19.9
137.02264	6.2
137.05911	3.0
139.00264	12.6
139.03850	3.2
143.03349	8.6
147.04370	6.1
149.02361	11.8
151.89404	1.9
155.03400	70.5
158.51807	2.2
161.02267	4.7
161.04495	17.0
163.03790	3.9
165.05501	21.6
169.04916	9.5
173.04451	9.4
176.60301	2.1
179.03401	20.1
179.05450	8.3
179.06908	4.0
181.04909	6.3
191.03659	3.8
191.05522	39.0
197.04449	5.6
209.04428	1.9
223.06071	20.1
225.07552	5.4
227.05603	2.6
275.09180	2.1
284.03180	3.5
285.03909	6.6
309.09467	7.2
317.08633	8.9
335.07596	4.7
346.85040	1.9
369.11639	3.6
387.12640	3.7
449.14246	2.9
471.08914	2.8
471.15131	41.7
472.15042	4.6
489.15790	6.2
509.12656	8.5
531.17139	2.3
541.15430	7.0
579.16901	5.2
581.26392	2.9
628.27588	2.0
631.03412	2.2
676.17163	2.4
741.22443	20.8
759.67987	2.1
773.24634	67.2
774.25232	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	771.4169
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03088	2.5
54.16012	2.3
58.00468	2.4
59.01253	30.6
61.98703	57.0
69.03334	2.4
71.01253	57.3
71.17874	5.0
72.99182	4.4
73.02811	9.5
73.03921	2.0
78.93507	1.9
78.95783	5.0
81.03342	3.2
83.01255	3.5
83.04909	7.6
85.02832	5.8
87.00743	7.1
88.98660	2.6
89.02322	9.7
93.03353	3.6
95.01253	3.2
95.04901	7.4
96.95870	4.5
97.02827	13.5
97.06474	4.4
99.00716	4.5
101.02308	13.1
102.16460	2.1
109.06460	13.7
111.00806	3.0
111.08050	5.2
113.02333	6.9
114.46882	2.3
116.92714	2.5
117.14301	2.3
118.86603	2.4
125.09606	8.5
127.11226	2.8
135.08054	2.7
137.09627	4.5
142.02612	2.3
143.03345	3.9
144.28325	2.9
151.11206	2.8
155.10645	2.7
161.02385	2.7
161.04463	6.4
161.09627	2.9
163.11191	15.5
165.12775	7.5
167.23120	2.8
169.12207	4.8
171.10182	97.0
172.10527	5.3
179.10672	2.7
181.08687	3.1
181.12273	6.9
185.11726	6.9
189.09169	3.8
191.05563	19.8
197.11780	24.7
199.13242	3.3
201.11256	43.2
202.11627	3.3
207.10201	37.7
208.10461	2.4
209.11774	55.2
210.12132	3.5
211.13370	8.7
215.12817	5.7
223.13216	2.3
225.11287	64.2
226.11674	3.2
227.12888	8.9
235.08171	9.1
243.12389	2.8
247.20609	3.8
253.09254	32.0
284.03220	5.0
285.03986	14.0
289.18097	6.7
291.19684	50.4
292.20084	5.9
293.21130	3.7
295.10416	3.0
307.19107	8.2
309.20697	100.0
310.21045	9.0
443.19162	3.2
461.20508	11.5
479.20721	3.7
527.29291	2.8
608.95020	3.0
753.40399	8.0
771.42023	14.1
771.99298	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	771.4169
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36164	0.6
55.01750	1.3
57.03308	2.3
58.00489	0.8
59.01246	10.6
61.98687	3.7
69.03325	2.1
71.01248	7.5
71.04887	2.1
71.50935	1.1
72.99181	0.9
73.02821	1.6
78.95756	0.9
80.02534	1.9
81.03323	2.9
83.01256	1.3
83.04894	6.2
84.02024	1.8
85.02824	6.9
87.00755	2.2
89.02321	3.9
89.19551	0.7
93.03318	3.4
95.04884	1.7
96.95889	2.3
97.02842	4.3
97.06438	2.4
99.00735	0.8
101.02320	6.5
106.04091	0.7
107.04948	1.1
109.06476	18.9
110.06823	0.9
111.04417	1.0
113.02291	3.2
115.07501	0.6
116.92751	1.0
119.03377	0.8
121.06459	1.2
123.04436	0.8
125.05960	0.7
125.09615	0.9
127.01723	0.6
127.07511	1.2
127.11176	0.7
133.02896	0.8
133.04929	0.7
135.04420	1.3
135.08049	2.7
137.09616	2.0
142.02631	1.2
147.50374	0.7
151.11099	0.7
161.02289	0.7
161.04497	2.5
161.09560	0.7
163.11197	10.4
165.12770	2.6
169.12189	1.8
171.10176	12.8
172.10626	0.7
173.04500	1.5
179.05513	0.8
181.12231	2.8
181.48337	0.7
183.13806	2.1
187.07535	0.6
189.09099	1.2
191.05536	12.5
191.10648	0.8
192.05919	0.8
193.12175	0.8
197.09996	0.9
197.11769	15.0
198.12097	0.7
199.13303	0.8
201.11195	1.0
207.10202	31.5
208.10562	1.7
209.11766	100.0
210.12119	6.5
211.11464	1.1
211.13362	14.1
212.13864	1.2
213.05431	0.7
221.11758	0.8
225.11288	14.2
226.11650	1.1
227.10748	1.1
227.12851	12.2
229.14413	3.0
235.08173	7.2
235.13293	3.2
237.14803	1.7
239.12889	0.9
249.15079	0.8
253.09259	22.5
254.09683	1.2
267.15808	0.8
284.03207	2.3
285.03940	5.0
289.18063	2.6
291.19620	1.4
307.16086	0.6
307.19037	3.6
309.20749	3.8
325.20178	39.0
326.20422	3.9
327.21750	33.6
328.22153	3.4
342.78827	0.7
443.19058	1.9
445.20837	1.0
461.20313	3.8
517.32117	1.0
545.29663	1.1
561.29419	1.3
563.30511	1.0
753.40704	2.3
771.42529	13.9
772.42322	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	771.3084
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45939	0.8
55.91743	1.0
57.03317	2.8
58.00459	3.6
59.01253	63.7
61.98702	52.0
63.35462	0.9
63.99118	3.6
65.03832	1.3
67.01770	2.4
68.99691	46.8
69.03332	16.1
70.53078	2.0
71.01254	60.7
72.99190	3.8
73.02814	5.5
75.00740	2.3
79.95617	1.9
80.96382	1.3
83.01244	5.1
85.02822	42.1
86.03178	1.0
87.00760	4.7
89.02322	42.5
90.07248	1.0
91.01775	5.8
93.03340	22.4
95.01250	4.8
96.95885	12.6
97.02833	2.0
99.00767	3.9
101.02325	90.3
102.02650	2.3
103.01809	1.0
103.19876	1.1
107.04909	18.0
108.02039	1.3
111.00688	1.1
113.02336	24.7
119.01366	1.1
119.03392	16.4
121.02840	39.4
121.06506	7.8
122.03204	1.0
123.04394	1.2
125.02331	1.5
127.03880	1.5
129.01787	1.5
131.03410	2.1
133.02811	1.4
135.04399	3.8
137.02342	1.1
143.03394	5.5
143.04878	1.3
145.06453	2.0
147.04430	11.5
149.02354	3.5
149.04474	1.7
149.05859	0.9
149.08920	1.0
151.03937	9.0
153.05484	14.5
159.02832	1.7
161.02310	1.5
161.04462	8.8
163.03868	1.0
165.01888	7.0
165.05510	1.2
171.04439	6.0
173.04462	2.7
173.05983	7.5
177.03897	2.4
177.05345	1.1
179.03410	30.4
179.05484	4.6
180.03786	2.2
181.04883	4.7
187.07591	2.3
189.05484	1.8
191.05537	17.2
191.07040	1.5
192.05782	2.1
193.04950	1.8
197.04469	2.8
199.04008	1.1
205.08679	3.5
207.10194	1.3
209.11790	2.0
215.07201	1.1
217.04977	2.9
221.04330	1.1
231.06538	2.9
245.08186	1.5
249.07571	5.2
267.08902	1.0
273.07745	3.0
309.09793	12.9
310.09921	1.4
315.18079	4.5
341.08755	88.3
342.09061	7.3
379.10297	1.1
383.20630	4.0
411.12854	8.3
412.13095	1.2
429.13928	7.1
463.23489	27.9
464.23605	4.0
495.22366	100.0
496.22644	11.5
515.22626	1.5
547.25360	2.6
565.26501	12.4
566.26660	2.4
771.30774	1.9
781.76636	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	0.7
61.98702	7.6
63.02268	1.2
65.00199	1.3
69.17609	0.4
70.82716	1.2
76.17897	0.4
78.95767	0.8
83.01240	0.6
107.01280	1.9
109.02812	0.7
133.02824	4.0
134.03625	1.7
149.02339	1.7
151.00215	4.3
175.03883	1.9
183.04587	0.5
199.03912	2.5
200.04738	0.7
211.03969	1.2
213.05467	0.8
215.03448	0.5
217.04933	0.8
227.03450	1.3
241.05161	0.5
243.03050	0.7
255.02968	1.3
256.03708	3.8
283.02399	1.0
284.03259	51.6
285.04022	100.0
286.04434	7.7
327.05228	1.0
358.96927	0.6
707.30682	94.8
708.30951	23.4
757.00116	0.5
770.40314	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56398	0.5
59.01233	3.3
61.98700	19.4
63.96110	0.8
64.42960	0.5
67.01758	0.7
68.99695	0.5
69.03316	1.8
69.17613	5.7
71.01254	9.8
72.99162	0.8
73.02811	2.2
77.07565	0.6
78.95787	2.9
78.98461	5.7
79.95604	12.5
80.96386	75.3
81.03336	1.5
83.01244	0.7
83.04910	1.2
85.02824	7.0
87.00738	5.7
88.20815	0.5
93.03347	4.4
94.97958	18.7
95.01273	1.0
96.95897	2.5
96.96873	0.7
97.02828	2.2
98.20174	2.8
99.04390	0.6
101.02302	3.9
106.97948	2.8
109.02805	0.9
109.06468	1.1
111.04379	0.6
113.02363	0.6
122.97485	3.6
125.02322	3.8
127.03902	1.4
128.87364	0.5
133.02859	0.6
134.03552	0.6
134.97478	5.3
135.04411	2.8
136.99028	0.9
137.02307	1.1
146.97572	0.5
148.99043	5.5
152.98531	6.8
155.03392	0.7
161.02278	0.9
163.11182	0.7
164.98549	13.5
165.05447	0.8
167.00105	0.9
173.04413	3.1
174.03226	0.5
179.03452	1.2
191.05536	29.4
192.05899	2.0
195.01138	0.8
197.11798	0.5
206.99611	4.5
207.10193	1.9
209.11748	8.2
210.03465	0.7
210.12128	2.0
223.03514	0.5
225.00687	26.6
225.05821	0.7
225.11234	1.8
226.01004	1.0
227.12764	0.7
237.66234	0.5
241.14389	0.6
243.01764	0.5
255.03062	1.2
283.02335	0.7
283.13391	1.0
354.70523	0.6
446.08295	1.2
509.17020	2.9
541.19513	1.7
563.21301	1.5
677.35162	0.9
679.26495	0.7
695.35565	0.7
769.33136	100.0
770.33551	18.8
798.44208	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01742	1.2
57.03316	1.4
58.00468	1.7
59.01251	44.9
61.98703	10.6
65.03825	2.3
67.01773	3.2
68.99687	43.3
69.03326	12.8
71.01252	46.9
72.01585	1.0
72.99177	5.0
73.02823	4.5
75.02335	0.6
75.86154	0.6
80.96394	2.1
81.03349	1.2
83.01250	3.4
85.02822	26.0
87.00305	0.6
87.00726	3.1
88.98655	0.8
89.02316	33.5
91.01765	2.8
93.03335	25.8
93.03928	1.2
94.03630	0.6
95.01270	3.8
97.02815	1.2
99.00756	2.4
99.03727	0.6
99.04374	1.1
101.02323	100.0
102.02677	2.0
107.04912	11.1
109.02801	1.4
109.06453	0.6
111.00759	1.2
111.04462	0.6
113.02332	24.7
119.01256	1.0
119.03384	14.6
119.04836	1.2
121.02842	42.3
121.06477	20.9
122.03176	1.0
123.04386	1.6
125.02351	2.1
126.02637	0.8
127.03853	3.1
131.03387	1.5
133.02858	1.2
135.04396	3.7
137.02336	3.4
143.03369	5.3
145.06494	2.6
147.04431	3.8
148.05202	46.2
149.02344	3.9
149.04434	1.5
149.05586	2.3
151.03934	6.7
153.05478	37.1
154.05855	1.4
155.03418	2.8
155.10614	0.6
158.03555	0.7
159.02960	1.0
161.02357	2.3
161.04480	13.8
163.03926	2.8
163.07558	32.5
164.07941	1.6
165.01843	6.0
165.05498	3.0
165.86874	0.6
171.04433	0.6
173.02234	0.7
173.04483	2.5
173.05997	4.8
177.01727	0.7
179.03432	15.6
179.05524	6.9
181.04959	3.6
189.05565	1.9
191.05539	26.1
191.07088	2.9
192.05881	1.6
193.04794	0.9
197.04543	5.8
205.08630	1.9
207.06555	0.9
209.11835	0.7
211.06055	0.8
217.04944	1.4
221.04488	1.3
223.09778	1.3
225.00609	0.8
229.07161	1.4
231.06627	1.5
249.07642	3.8
267.08777	1.6
273.07635	1.0
281.10468	0.8
291.08862	0.9
299.11551	1.2
309.09811	7.9
310.10291	0.8
341.08755	31.4
342.09106	2.8
353.12747	0.9
373.11218	3.4
379.10291	2.1
393.11624	1.5
411.12946	10.0
412.13293	1.8
425.15189	0.8
429.14001	26.4
430.14188	3.3
443.15506	7.8
444.15695	0.9
461.16626	27.6
462.17078	2.9
471.14896	0.9
473.18777	7.5
505.17169	47.9
506.17444	5.9
525.17255	1.9
557.20062	1.4
569.22510	2.3
573.18347	2.2
575.21228	6.1
576.21069	0.9
607.24249	1.5
751.29633	0.8
769.31934	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.4461
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	0.7
59.01731	0.1
61.98700	100.0
78.95765	1.6
80.96378	0.5
81.03361	0.2
83.04899	0.5
84.05278	0.2
86.12791	0.1
98.19849	0.4
136.88936	0.2
152.99529	0.3
159.44897	0.1
163.11255	0.2
168.04190	0.2
178.72278	0.1
194.95703	0.1
209.11765	3.7
210.12108	1.8
211.12314	0.6
217.70271	0.1
227.12749	0.5
228.13194	0.2
229.13538	0.1
241.14516	0.3
243.15021	0.2
255.23245	2.4
256.23627	1.7
257.24011	0.6
290.76151	0.1
293.21280	0.5
294.21704	0.2
690.43420	2.0
691.43616	0.7
692.43958	1.0
693.44342	3.0
707.45978	0.2
767.41656	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.3665
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	0.3
61.98705	100.0
62.98407	0.2
71.01268	0.4
71.51067	0.3
73.00954	0.2
76.93279	0.2
78.95776	0.5
79.95626	0.5
80.96403	0.7
85.02847	0.7
87.00748	0.4
93.03337	0.7
94.97988	0.3
96.95886	1.1
110.45129	0.2
127.03888	0.4
133.02867	0.4
135.04449	0.6
135.07811	0.2
136.01590	0.4
136.12865	0.2
145.06659	0.2
151.03900	0.3
155.03484	0.4
161.02328	0.5
164.98610	0.2
173.04506	0.8
179.03500	0.3
191.05542	4.4
192.05885	0.4
209.11845	0.2
211.13313	0.3
225.00792	0.2
261.63824	0.2
274.70663	0.2
357.13611	0.2
419.29306	0.2
568.08759	0.2
575.60950	0.2
768.32355	0.6
769.30853	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.2931
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	1.9
58.00452	3.7
59.01253	56.7
61.98703	7.3
65.03816	1.9
67.01743	2.9
68.99689	45.9
69.03323	17.8
70.00018	1.4
71.01254	50.5
72.99162	5.0
73.02814	4.3
75.00747	1.2
75.02264	1.1
81.03280	1.2
82.08438	1.3
83.01256	6.0
83.04898	1.4
85.02825	29.2
87.00755	5.5
89.02319	45.9
90.76307	1.1
91.01756	2.8
93.03339	28.3
95.01263	5.9
95.04908	2.1
96.95865	1.4
97.02825	1.8
99.00733	2.5
101.02324	100.0
102.02609	1.9
107.04908	9.3
109.02860	2.0
111.00708	1.3
111.04401	1.9
113.02332	28.2
114.02621	1.7
115.77183	1.1
119.03392	17.4
119.04919	3.1
121.01959	2.2
121.02846	40.3
121.06480	17.6
122.03133	1.3
123.04379	2.0
125.02316	1.8
127.03911	3.8
131.03412	2.4
133.02856	1.3
135.04417	4.5
137.02304	2.1
143.03406	6.9
145.02808	1.1
145.06445	2.1
147.04405	4.0
148.05209	53.5
149.02371	4.2
149.04436	2.3
149.05597	1.5
150.03171	1.5
151.03879	5.5
153.05476	33.4
155.03482	1.4
155.74011	1.0
161.02286	2.8
161.04457	9.4
162.84476	1.1
163.03894	1.5
163.07561	34.1
164.07970	1.3
165.01831	4.5
165.05489	6.6
171.04436	1.3
173.04440	5.3
173.05965	4.5
179.03409	16.9
179.05513	9.2
180.03920	1.3
181.04991	4.3
187.07629	1.7
189.05508	1.4
191.05560	35.9
191.07082	2.4
192.05853	2.9
195.06543	1.8
197.04468	8.3
205.08681	3.9
217.05054	1.6
218.43794	0.9
218.77464	1.0
221.04538	1.1
223.09766	1.5
223.29272	1.3
229.07150	2.6
229.18858	1.1
243.81444	1.0
243.83946	1.1
249.07664	5.4
267.08698	2.3
281.10138	1.6
285.03998	1.2
309.06308	1.6
309.09637	8.2
341.08759	31.7
342.09387	1.7
353.12961	1.5
373.11542	1.5
379.10193	1.2
393.11670	2.0
411.12976	13.7
412.13043	1.5
429.13998	38.7
429.19833	1.9
430.14166	2.6
443.15573	3.1
461.16687	23.0
462.16925	2.1
471.15182	2.5
473.18408	9.5
486.26169	1.4
505.17194	66.3
506.17697	9.4
525.16357	1.6
537.19885	1.6
573.18158	3.4
575.21497	6.6
607.23627	1.8
621.78204	1.2
769.30719	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	766.3501
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12862	0.1
59.01244	0.2
61.98702	100.0
62.98400	0.2
64.23113	0.1
71.01264	0.2
75.00747	0.2
78.95757	0.2
80.96385	0.2
85.02834	0.4
87.23968	0.1
88.98693	0.2
93.03345	0.5
96.95894	0.5
98.19786	0.3
135.04428	0.2
152.99570	0.1
158.66370	0.1
173.04504	0.2
179.03493	0.2
191.05524	1.8
209.11931	0.3
596.08942	0.2
757.25690	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3543
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	0.7
60.99177	19.2
61.98706	0.5
64.46049	0.3
70.71387	0.6
71.01255	0.3
72.25546	0.3
78.95774	0.7
87.00748	1.5
88.00263	3.2
88.98677	100.0
89.02316	12.5
89.99013	0.9
93.03286	0.3
102.92215	0.2
152.99510	0.8
191.05548	0.6
209.11850	0.3
225.11536	0.3
228.42738	0.3
277.21802	0.6
367.71896	0.3
397.13586	1.1
415.14603	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.4096
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13776	0.6
58.27282	0.5
59.01257	0.7
59.50795	0.6
61.98699	9.1
63.96114	1.5
69.03319	1.3
71.01253	8.9
72.65769	0.5
73.02814	2.1
78.98458	6.6
79.95602	15.0
80.41682	0.6
80.96389	78.3
81.03346	1.1
82.13763	0.6
82.44518	0.7
87.00758	3.1
94.97959	17.5
94.98578	1.0
96.95893	1.4
97.02825	2.6
98.19673	1.2
101.02313	2.3
106.97955	3.4
122.97482	3.1
125.02309	3.2
127.03888	1.4
128.17467	0.6
130.32872	0.6
134.97469	5.6
136.99025	2.0
148.99060	7.4
152.98526	7.5
160.71075	0.6
164.98540	12.9
206.99593	3.2
208.00171	0.6
209.11798	1.8
225.00694	23.5
226.00764	0.8
241.13771	0.7
244.32225	0.6
255.23401	1.5
287.27707	0.6
509.17142	2.9
514.69220	0.7
537.27728	1.0
701.94586	0.7
765.40973	100.0
766.41394	22.7
766.52484	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.4718
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	22.3
61.98689	1.0
65.29110	0.5
71.01253	1.0
71.04910	0.5
78.95771	32.3
79.95589	0.5
80.02549	1.7
80.96388	4.8
81.03314	3.5
82.95940	0.5
83.01245	1.4
83.04891	8.4
84.02052	2.1
84.05199	0.6
89.33831	0.5
93.03329	0.5
94.97948	0.9
95.04913	2.0
98.20564	0.9
100.43033	0.4
109.06444	0.5
122.98381	0.5
124.99992	1.6
125.05965	1.5
125.09588	1.6
135.08032	1.5
147.11775	0.6
152.99486	3.2
163.11191	7.8
164.11485	0.6
164.98582	0.5
165.12764	4.5
168.04216	7.8
172.06787	0.4
175.43849	0.4
181.12256	1.5
184.43959	0.4
191.10725	3.7
195.89493	0.4
197.15373	0.6
209.11758	100.0
210.12115	6.0
223.13281	2.4
224.06889	5.0
225.00702	1.5
226.12109	1.8
226.50763	0.4
227.12828	15.7
228.13181	0.9
238.24380	0.4
241.14410	18.6
242.07936	0.5
242.14735	1.4
243.84706	0.4
255.23251	82.5
256.23633	6.8
419.25824	0.9
434.19583	1.0
462.29901	0.8
480.30853	5.2
619.36420	2.1
620.35968	0.5
645.37604	1.2
646.38544	0.7
690.43420	97.9
691.43781	21.6
704.44897	8.5
705.45483	1.1
764.19330	0.6
764.39734	2.9
765.40515	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	765.3545
Annotation	Unknow
Peak:m/z	Relative Intensity
58.89288	0.2
59.01242	0.7
60.02930	0.2
60.99176	18.4
61.98705	0.3
63.22297	0.3
63.22621	0.2
69.52050	0.2
71.01254	0.5
71.37798	0.4
78.95783	1.2
79.82032	0.2
82.30875	0.3
87.00749	1.8
88.00272	3.3
88.01111	0.3
88.98676	100.0
89.02314	15.6
89.99014	1.0
93.03338	0.7
152.99475	1.6
166.86415	0.3
180.45068	0.2
191.05518	0.6
277.21790	0.7
397.13568	1.4
415.14597	0.4
427.17383	0.5
656.93866	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49383	0.5
57.03334	0.6
59.01244	1.4
62.03927	0.5
63.96128	2.7
69.03326	0.7
71.01254	10.9
73.02824	2.1
73.42020	0.5
78.98463	7.0
79.44804	0.5
79.79346	0.5
79.95608	17.6
80.96394	100.0
81.03326	0.8
81.96337	0.7
85.02832	3.2
87.00745	3.1
88.96912	0.6
94.97962	21.3
95.01321	0.6
96.95885	1.8
97.02831	1.8
98.19751	1.1
99.00759	0.8
101.02328	3.0
106.97976	3.9
109.06518	0.8
122.97468	3.7
125.02331	2.7
127.03886	0.9
134.97467	5.2
136.99065	1.5
146.97543	0.5
148.99055	7.3
152.98532	7.0
164.98560	12.3
206.99632	2.6
207.10144	1.2
211.89952	0.6
225.00711	18.3
226.01080	0.6
229.30151	0.6
255.23236	2.0
283.04837	0.5
507.15295	2.0
514.57214	0.7
537.27075	1.5
763.39398	72.7
764.39587	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	763.3945
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	0.8
61.26675	0.4
63.96130	2.2
65.03389	0.6
69.03338	1.0
70.99377	1.2
71.01254	9.9
73.02818	1.3
75.00734	0.5
78.95779	0.6
78.98474	7.5
79.60700	0.5
79.95130	0.6
79.95605	15.9
80.96394	96.5
81.03326	1.0
83.01271	0.5
85.02831	3.1
87.00753	3.4
94.97965	20.3
96.95908	1.7
97.02827	2.6
99.04447	0.6
101.02329	3.2
106.97967	4.1
109.06454	0.5
113.02367	0.8
122.97453	3.8
125.02336	3.6
127.03909	0.5
134.97490	6.8
136.99046	1.9
137.98018	0.4
148.99046	8.5
152.98529	7.4
164.98552	13.8
167.00102	0.7
195.73660	0.5
199.69312	0.4
201.81395	0.5
206.99681	3.1
207.10173	1.0
225.00700	24.3
226.01091	0.7
255.23297	2.0
273.28632	0.5
283.04974	1.0
343.89145	0.4
422.10583	0.4
483.59705	0.5
507.15405	3.1
508.16144	0.8
537.27118	1.2
763.39423	100.0
764.39764	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	763.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01233	3.9
61.98697	3.5
69.03339	1.3
70.38423	1.4
71.16687	1.3
81.03360	1.4
85.02808	6.2
87.00738	2.6
89.02284	1.9
89.64347	1.3
93.03356	11.8
95.01242	1.5
96.95867	1.9
108.02061	2.8
109.02812	2.5
116.92743	3.0
121.02849	9.7
122.03664	13.8
123.04383	3.5
125.16179	1.5
133.02824	4.1
134.03613	4.7
135.04402	9.5
136.01570	4.1
137.02339	3.2
145.02892	3.3
145.61440	1.5
146.03673	1.5
146.72203	1.4
147.04442	2.1
147.46846	1.4
148.01471	1.4
149.01244	2.1
149.02353	30.3
149.05989	6.4
150.03134	100.0
151.03654	5.3
160.01521	2.2
161.02347	4.0
162.03113	4.1
163.03937	14.6
164.04704	17.5
165.05490	96.6
166.05849	6.2
169.02812	1.4
173.04465	4.6
175.03923	2.4
176.04657	3.2
177.01857	1.7
177.05446	5.2
178.02739	1.7
178.06223	1.9
179.03418	3.4
179.07074	8.3
180.04286	7.7
180.07841	2.9
188.04749	1.4
189.05338	1.8
190.06305	3.1
191.03699	3.2
191.05554	43.2
191.07031	2.3
192.04205	7.3
192.05850	3.0
193.04761	2.0
194.05765	2.5
195.06566	45.4
196.06888	1.7
201.55385	1.6
205.08728	1.9
206.05750	2.0
207.06581	22.7
208.07141	3.2
210.05244	3.0
219.06572	3.9
220.07251	4.8
221.08104	2.1
223.07584	1.5
223.09702	5.5
225.05446	4.6
226.06088	2.0
237.05612	3.2
237.07602	8.9
238.06253	2.9
239.07114	4.5
240.04269	19.6
240.07822	1.8
241.04776	4.2
253.04974	2.9
255.06606	10.2
256.06998	4.4
265.05038	3.4
266.05890	2.6
267.06570	9.6
268.07028	2.4
269.08185	6.8
270.09033	10.3
271.09521	7.2
279.06650	2.1
281.08145	5.3
282.08932	4.1
283.06116	6.4
283.09549	2.6
284.06830	2.5
284.10123	1.9
285.11243	4.3
286.08463	2.4
295.06137	17.9
296.06519	4.8
297.07532	3.6
298.08411	22.1
299.09073	7.5
301.10736	6.6
302.11224	3.4
309.07639	2.1
310.08490	12.2
311.09088	5.4
312.09921	2.4
313.07147	2.9
313.10782	25.9
314.07870	5.4
314.10992	3.7
315.12115	2.0
324.09607	2.3
325.10815	22.2
326.07968	2.8
326.11465	14.4
327.11792	2.5
328.09479	4.1
329.10278	14.3
340.09204	2.1
341.10236	14.7
342.10910	3.1
343.11819	35.0
344.12485	25.6
345.13043	5.0
355.11935	11.0
356.12613	8.3
357.13223	5.2
358.14023	3.0
359.14990	47.1
360.15143	5.5
369.13397	4.0
371.14975	27.3
372.15619	1.7
373.12946	23.8
374.13272	3.8
473.16885	1.8
487.17374	1.7
489.15488	2.0
504.17731	1.8
505.18228	4.2
507.20267	13.0
508.20667	3.2
519.20282	19.5
520.20538	3.4
535.19440	2.9
536.20203	1.8
537.21405	7.9
549.21228	10.8
550.20764	1.9
637.21283	1.8
655.25610	10.3
656.25397	3.0
667.12616	1.6
667.24982	10.4
668.25366	2.5
685.26544	13.6
686.26514	4.2
697.26465	14.8
698.26263	2.1
703.27167	3.2
709.26758	2.9
715.27753	15.7
716.27759	3.5
727.27606	2.8
733.28705	14.1
734.28754	4.9
745.29114	7.7
746.29388	4.3
763.29608	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	763.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	1.7
61.98693	2.6
67.01743	0.7
68.99657	0.6
71.01263	1.1
78.95760	0.6
85.02809	2.6
87.00734	0.9
93.03327	2.4
96.95885	0.6
98.20582	1.0
101.02320	0.8
107.91057	0.4
108.02054	1.3
109.02769	0.6
111.04405	0.6
111.09090	0.5
116.92717	0.6
121.02884	0.7
122.03675	0.8
123.04388	1.0
133.02892	0.9
135.04411	1.6
136.01596	0.6
137.02309	0.6
149.02322	1.3
150.03114	3.6
151.03912	0.8
155.03395	0.9
162.03076	1.1
163.03708	0.5
164.04721	0.6
165.01787	0.6
165.05507	3.3
166.02608	0.5
171.04504	0.5
173.04427	1.6
174.03198	0.5
175.03851	0.5
177.01929	0.7
177.05453	0.8
179.03426	1.1
179.07054	0.7
181.08713	0.5
183.04424	0.9
184.05171	2.0
185.05952	0.9
187.03925	3.9
189.05441	0.6
191.05530	14.6
192.05913	1.6
195.04417	1.6
195.06535	1.8
196.05061	0.8
196.06888	0.5
197.05971	2.4
199.03746	0.4
209.11618	0.7
211.03951	3.0
212.04729	7.3
213.05482	4.1
223.03970	1.6
224.04753	1.4
225.05508	12.0
226.06180	3.8
227.03545	0.5
227.07086	7.3
228.07486	0.9
240.04228	39.3
240.07901	11.3
241.04938	15.0
241.08240	2.4
242.05209	1.7
242.08855	0.5
253.09218	0.9
255.06593	100.0
256.07184	21.6
257.07468	2.7
270.08954	83.7
271.09668	48.4
272.06912	0.7
272.09995	5.7
273.10309	0.8
283.05655	0.5
301.10791	80.5
302.11130	10.0
303.11368	1.7
313.10928	0.7
328.09146	0.6
329.10156	0.9
330.37009	0.5
341.10410	1.2
343.11826	2.0
344.12469	1.4
351.07104	0.5
353.08759	0.6
358.14288	0.8
359.14948	4.6
360.15845	0.6
371.15146	2.2
402.35678	0.5
449.14886	0.8
639.01215	0.5
733.28485	0.7
763.29034	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.23
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02491	1.9
59.01255	23.4
61.99982	2.6
69.03332	21.5
69.61089	1.9
70.76121	2.2
70.76453	4.0
71.01242	9.3
74.44071	1.8
85.02831	2.2
87.93996	2.1
89.02325	10.3
95.04889	5.6
97.02827	4.6
101.02312	6.1
113.02348	3.8
119.03367	4.2
121.02839	6.8
121.06481	13.0
154.67305	2.0
165.05476	9.3
182.36935	2.0
183.06555	4.8
184.56526	2.0
193.93806	2.3
201.25531	1.9
209.04335	9.9
224.33835	2.0
235.18091	2.1
345.11942	13.3
371.09879	3.1
373.11362	5.7
389.10861	100.0
390.11172	10.5
533.96429	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	763.2823
Annotation	Unknow
Peak:m/z	Relative Intensity
58.77129	1.3
59.00955	1.7
59.01247	31.4
59.42866	1.0
64.55735	1.5
69.03324	3.8
71.01247	24.2
72.99172	2.1
81.03313	1.1
82.22303	1.3
85.02820	4.7
87.00730	2.7
89.02314	21.4
93.03332	6.2
95.01272	2.8
97.02832	5.0
98.03155	1.3
98.20583	2.5
101.02313	11.9
105.03341	1.3
108.43517	1.1
109.02850	7.0
113.02319	10.6
117.27505	1.6
119.03415	7.4
119.04921	2.6
121.02849	8.9
122.03632	15.0
123.00695	2.7
123.04395	4.6
124.01589	1.4
124.04642	1.3
131.03389	2.2
133.02832	2.4
135.04359	2.8
136.01575	8.3
137.02281	3.3
138.03125	1.6
139.03929	1.8
143.03378	2.1
145.02837	1.8
146.03653	6.1
147.04390	2.2
149.01218	2.1
149.02356	26.9
149.04384	1.2
149.05998	1.9
150.03125	100.0
151.00264	9.5
151.03960	9.7
158.03630	1.6
159.04402	5.9
160.05174	18.1
161.02299	2.2
161.04466	4.3
161.05933	4.6
162.03108	3.1
163.03920	2.3
164.04716	9.7
165.01842	9.2
165.05479	95.5
166.02634	22.8
166.05771	3.2
167.03270	1.4
169.64906	1.1
172.05214	2.5
173.02272	1.7
173.04518	1.5
173.05963	2.4
175.03928	6.7
175.07523	12.6
176.04657	3.3
177.01820	1.5
177.05507	6.9
178.06227	5.3
179.03394	4.8
179.05502	13.9
179.07047	11.2
180.04214	11.9
181.04979	77.5
182.05298	3.4
187.03944	3.0
188.04472	1.2
189.05530	5.5
190.06360	6.7
191.03815	1.6
191.05507	9.5
191.07042	4.4
193.05045	2.7
193.08658	7.9
194.05521	2.2
195.06558	75.2
196.06842	3.6
205.04936	4.3
221.08095	2.3
225.07613	5.2
239.03516	1.7
266.05792	3.1
267.03149	1.4
267.06342	1.2
278.05569	1.5
281.04504	1.9
282.05389	7.1
283.05972	2.5
287.09052	1.6
294.05386	2.2
296.06573	1.3
297.07596	9.6
309.07712	6.0
311.09137	1.7
312.09903	6.2
314.08005	1.9
315.08603	4.0
324.09921	3.6
326.11603	2.2
327.08691	5.6
327.12366	11.3
328.12521	1.6
329.10263	10.6
342.11041	14.2
343.11621	2.5
345.13449	2.2
357.13397	69.3
358.13736	5.2
359.11096	1.8
373.12784	9.7
374.12128	2.9
375.14188	8.8
377.12479	6.7
377.16711	1.4
387.14481	20.6
388.14648	1.6
405.15570	18.9
406.15787	2.7
421.15051	8.0
477.18353	1.5
519.18066	1.7
523.19672	28.6
524.19574	3.1
535.19775	12.7
536.20135	3.1
553.20880	18.5
554.21100	3.8
565.21179	1.3
567.20837	10.3
571.21930	12.3
572.22467	1.8
583.21802	34.5
584.22278	7.8
601.22900	36.0
602.23193	7.0
655.90210	1.2
696.11212	1.5
715.25830	5.5
763.25281	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	762.4282
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98703	100.0
69.37175	0.2
71.01281	0.3
78.95792	0.4
79.95609	0.3
80.96391	2.5
89.28941	0.2
94.97977	0.6
98.20547	0.5
103.23594	0.2
111.08081	0.2
134.97513	0.3
164.98604	0.3
191.05566	0.3
194.45743	0.2
209.11758	0.2
215.14742	0.2
225.00786	0.8
253.21931	0.2
255.23347	0.4
315.37936	0.2
358.51907	0.2
434.36639	0.2
551.74298	0.2
713.53271	0.2
762.38525	0.5
763.39166	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	763.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01739	2.3
57.03301	2.7
58.00463	3.3
59.01255	85.1
60.99172	3.5
67.01747	2.7
67.92727	1.5
68.99690	2.6
69.03330	41.5
71.01257	73.6
71.46259	2.3
72.99174	5.9
73.02845	1.6
81.03323	3.9
83.01244	2.5
85.02823	16.5
87.00744	6.1
89.01759	3.1
89.02322	64.2
91.05412	3.6
93.03345	18.0
95.01243	5.1
95.04909	3.7
97.02834	83.5
98.03184	1.9
99.00751	4.1
100.26956	1.9
101.01717	2.2
101.02329	32.7
103.05376	1.7
105.03383	2.8
106.04094	1.8
107.04887	11.2
108.02073	4.8
109.02831	2.7
109.06501	3.5
111.04408	3.6
113.02329	32.4
113.43072	1.7
114.02647	1.8
119.03410	21.6
119.04902	21.4
121.02850	88.6
121.06473	9.8
122.03159	2.6
123.04424	17.5
124.82742	1.7
129.03326	3.0
133.40622	1.8
135.04404	18.4
137.05995	23.7
139.03859	3.2
141.01825	6.2
143.03355	3.2
147.04425	77.4
148.04790	4.3
149.04333	1.7
149.06001	21.0
153.05460	3.7
161.04451	3.4
165.05489	82.4
166.05800	3.2
166.66347	1.6
167.07019	10.7
179.05566	12.1
181.04868	2.1
191.03445	34.8
191.05426	5.4
192.05602	1.9
193.04999	36.3
194.05261	1.9
209.04517	32.5
210.04817	1.7
227.05487	3.8
240.78433	1.8
335.09131	1.6
358.41260	1.8
371.09854	98.2
372.06058	1.7
372.10089	9.3
373.11389	100.0
374.11594	8.2
389.10910	48.1
390.11063	4.0
456.07520	1.6
719.25104	2.0
763.22925	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	761.4145
Annotation	Unknow
Peak:m/z	Relative Intensity
59.43611	1.2
63.96126	1.7
64.05909	1.2
71.01250	7.9
73.02822	1.6
77.67751	1.1
78.68026	1.2
78.95750	1.5
78.98460	5.5
79.95600	11.1
80.96384	72.3
85.02805	2.0
87.00755	3.0
94.97958	18.2
101.02324	2.4
106.97961	4.2
122.97469	3.0
125.02332	2.2
129.38670	1.5
134.97450	4.2
136.99059	1.9
148.99049	6.1
152.98511	7.8
164.98570	8.9
206.99529	2.0
225.00710	16.2
255.23207	1.7
256.40558	1.2
330.87759	1.3
505.17422	3.1
653.37384	1.5
735.21643	1.3
761.41364	100.0
762.41870	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	761.4145
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96092	1.5
71.01257	7.7
73.02812	2.7
78.98456	5.9
79.95602	12.7
80.96387	76.9
81.96301	0.5
83.01252	0.6
85.02814	3.0
87.00735	3.5
94.97963	16.7
96.09509	0.6
96.95869	1.4
97.02808	1.2
99.00739	0.6
101.02314	2.3
106.97955	3.3
107.69569	0.5
113.02339	0.6
122.97448	3.3
125.02326	3.2
134.97493	5.3
136.99075	1.2
148.99052	7.1
152.98523	5.7
164.98528	11.7
167.00072	0.6
172.20453	0.5
185.53738	0.5
188.98592	0.5
206.99663	3.2
223.13301	0.5
225.00696	19.9
226.26833	0.5
229.30719	0.5
255.23283	1.5
283.04913	0.6
505.17538	3.5
506.17728	0.7
537.27606	1.4
615.58759	0.6
750.03168	0.6
761.41431	100.0
762.41779	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	761.4146
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96088	0.8
68.55507	0.5
69.03325	1.3
69.37624	0.5
70.01266	2.8
71.01248	6.2
73.02814	1.2
78.98465	6.7
79.95605	10.7
80.96387	65.8
85.02828	3.5
85.03709	0.6
87.00740	2.5
93.46753	0.5
94.97959	15.2
96.95892	1.3
97.02799	1.3
101.02312	2.5
106.97983	2.9
119.44536	0.5
122.97462	3.3
125.02329	2.4
134.97491	5.7
136.99030	1.2
148.99068	5.9
152.98515	6.3
164.98534	12.4
206.99608	2.6
222.83853	0.6
225.00679	17.6
226.00964	1.0
255.23363	1.4
505.17462	2.9
537.27338	1.2
604.57867	0.6
696.50873	0.7
761.41443	100.0
762.41815	26.1
762.55731	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	761.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52642	0.6
58.00458	2.3
59.01250	28.2
60.99166	0.7
67.01748	0.8
69.03326	29.4
70.03659	0.9
70.99229	1.3
71.01254	24.1
72.99179	2.5
73.02804	0.8
75.00738	0.7
83.01237	0.8
85.02829	5.1
86.17091	0.6
87.00752	1.5
89.02318	22.9
93.03336	8.9
95.01259	1.6
95.04904	0.9
97.02829	45.8
98.03167	0.9
99.00754	1.0
101.02316	11.7
105.03326	2.0
107.04922	1.5
111.00779	0.8
113.02332	7.0
114.02650	0.6
119.03394	7.3
119.04893	1.1
121.02837	4.5
121.06458	1.5
123.04414	8.5
131.03392	0.8
135.04387	2.1
136.68889	0.6
137.05980	1.1
141.01834	2.1
143.03409	1.4
147.04425	2.5
149.05986	13.6
150.06331	1.1
163.03883	4.8
165.05472	3.5
167.07048	6.9
167.99519	0.6
179.05475	4.0
191.05544	0.8
193.04994	30.1
194.05360	1.8
207.02872	1.3
209.04570	1.5
373.11380	100.0
374.11707	7.6
387.09177	2.1
775.00684	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	3.8
61.98693	4.9
62.19544	1.3
62.54621	1.1
67.01770	1.4
68.99691	1.6
69.03311	1.9
71.01260	6.4
71.50800	1.1
71.51186	1.4
78.95778	1.6
79.95614	1.3
85.02816	8.6
87.00744	4.0
88.98683	1.5
89.02315	3.2
93.03328	11.4
96.35465	1.2
96.95861	5.6
101.02299	4.8
101.49054	1.1
108.02070	2.2
109.02876	2.7
111.04372	2.1
111.74720	1.1
113.02302	2.5
116.92710	5.4
121.02840	3.8
122.03593	1.7
123.04398	2.7
125.91545	1.2
127.03858	2.7
133.02907	1.9
135.04416	9.2
136.05087	1.2
137.02350	2.3
145.02834	3.9
146.03673	2.6
149.02344	3.7
150.03085	5.2
151.00381	1.4
151.03819	1.5
152.99406	1.2
155.03442	2.1
159.04369	1.3
160.01617	1.8
161.02357	3.7
163.03922	9.6
164.04726	7.4
165.01869	1.5
165.05469	3.2
171.10172	2.7
173.04488	5.9
174.03133	1.2
175.02431	1.3
175.03891	2.5
176.04718	1.9
177.01871	1.4
177.05531	4.6
178.02652	1.4
178.06279	2.2
179.03410	2.7
179.07079	1.6
187.03880	2.0
191.05536	63.6
192.04175	3.5
192.05894	3.9
192.07584	1.4
195.06537	3.3
196.03763	2.4
207.06561	16.5
207.10127	1.8
209.06078	2.3
209.11736	6.2
211.03987	2.3
211.07587	1.4
212.04700	2.7
219.06555	2.9
220.07286	1.8
223.07611	1.8
224.04625	1.7
225.05469	1.5
227.06885	2.5
237.05452	3.0
237.07660	9.0
239.03543	2.9
239.07126	7.3
240.04250	37.0
240.06818	1.9
240.07823	1.8
241.04932	2.2
249.05560	2.5
250.06410	2.4
251.07007	1.5
253.04938	1.6
253.09056	1.5
254.05777	2.0
255.02861	1.1
255.06564	10.5
256.07187	2.5
265.05002	6.1
266.05725	3.7
267.06659	15.3
268.07224	4.1
269.08102	2.3
270.08969	5.4
271.09473	1.8
277.05005	2.7
278.05652	3.0
279.06552	4.7
280.07428	2.6
281.08194	2.6
282.05344	1.5
282.08633	1.4
283.06085	17.8
283.09595	3.9
284.03259	1.4
284.06699	2.1
293.04846	1.2
293.08249	1.9
294.05350	2.2
294.08914	2.4
295.06119	42.6
296.06686	4.6
297.07727	6.2
298.08438	44.1
299.08963	4.1
301.10876	1.6
307.05930	1.3
308.06955	1.4
309.07562	5.0
310.08450	21.1
311.05692	2.3
311.09171	4.2
312.06265	3.9
312.09790	2.0
313.10794	59.8
314.11160	3.5
323.09286	5.1
324.06604	2.2
324.10129	2.1
325.07275	2.3
325.10785	30.1
325.14648	1.4
326.07837	3.8
326.11435	4.2
327.08774	10.2
327.12167	2.4
328.09320	2.6
338.11420	2.7
339.08615	12.4
339.12350	4.4
340.09210	3.2
341.10178	3.8
341.13898	1.5
342.11060	11.0
343.11835	100.0
344.12115	8.4
354.10956	5.2
355.11929	8.3
356.12396	3.2
357.13412	30.6
358.13672	3.6
369.13406	35.7
370.13638	3.5
373.12967	22.4
374.13269	2.3
683.24713	2.5
688.66547	1.4
695.25543	2.5
713.26117	3.7
731.27478	6.2
732.26886	1.4
743.26660	10.1
744.27106	2.7
761.28430	4.8
762.28839	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	761.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63799	0.4
59.01242	1.8
60.68317	0.5
60.76382	0.5
61.98713	2.5
67.01738	1.0
68.99688	0.6
69.03307	0.8
71.01237	2.0
71.32787	0.5
78.95761	0.7
83.02373	0.5
85.02845	2.7
87.00741	1.2
88.60696	0.5
89.02320	0.6
93.03344	3.3
95.01279	0.7
96.95885	2.1
98.19807	1.6
101.02299	1.3
108.02034	0.5
109.02782	0.6
111.04391	0.6
113.02339	0.5
114.77773	0.5
121.02760	0.7
123.04395	1.5
127.03921	0.8
133.02858	0.6
135.04413	1.4
137.02318	0.7
147.04431	0.7
149.02318	1.3
150.03098	2.4
151.00307	0.5
155.03412	2.2
155.04846	0.5
161.02290	0.9
162.03128	0.7
163.03893	0.8
165.05472	1.7
171.04396	0.6
173.04420	2.3
174.03033	0.5
177.05501	0.8
179.03453	1.1
183.04431	1.3
184.05182	1.9
185.05963	1.3
187.03928	3.5
189.05377	0.7
191.05531	25.1
192.05878	1.4
194.05791	0.7
195.04456	2.7
195.06416	1.1
196.05138	0.8
197.05983	2.4
199.04013	0.6
200.67389	0.5
209.11852	1.2
211.03870	2.6
212.04718	6.2
213.05539	4.2
223.03897	2.2
224.04652	1.4
225.05527	13.0
226.06172	2.9
227.03471	1.0
227.07050	6.0
229.27383	0.6
240.04233	36.9
240.07886	12.5
241.04956	15.7
241.08502	1.8
242.05502	0.7
255.06595	100.0
256.07242	18.9
257.07880	0.9
270.08960	89.6
271.09711	48.9
272.10187	3.3
283.02625	0.5
285.04349	0.7
285.07605	2.0
286.08340	0.6
300.10126	1.7
301.10803	75.3
302.11160	6.5
313.10703	0.6
326.07889	0.8
327.08752	0.8
328.09460	0.6
331.11899	2.1
337.03577	0.9
339.08694	0.8
341.10193	1.1
342.10873	1.1
343.11929	1.9
344.21454	0.6
354.11176	0.7
357.13474	2.7
369.13205	2.8
529.21570	0.5
731.26318	0.6
743.26178	0.6
761.29596	0.5
761.52551	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.2512
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38713	0.5
55.01759	1.2
57.03311	0.9
58.00477	3.4
59.01254	63.2
60.01569	0.7
60.99178	1.1
61.98703	0.5
67.01761	3.2
68.99690	9.7
69.03328	50.5
70.03660	0.8
71.01257	43.0
71.50757	0.6
71.98878	0.5
72.99178	5.1
73.02827	1.0
78.48801	0.5
81.03331	1.0
83.01266	1.9
85.02831	8.8
87.00761	2.6
89.02319	38.1
93.03342	13.2
94.03677	0.7
95.01270	4.7
95.04902	1.5
97.02834	60.9
98.03167	2.0
99.00768	1.7
101.02328	35.3
105.03356	3.7
107.04907	1.0
108.02089	0.7
111.04374	1.0
113.02327	14.1
119.03399	13.4
119.04837	2.7
121.02846	4.2
121.06496	3.3
123.03545	1.1
123.04413	17.6
127.03909	1.9
131.03409	1.4
134.03578	1.2
135.04367	0.8
137.02306	1.0
139.00305	0.6
141.01840	2.4
143.03400	3.5
147.04422	4.6
149.02353	1.5
149.05988	22.6
150.06306	0.7
151.03888	0.6
153.05478	1.0
155.03403	1.6
161.02351	0.7
161.04489	2.1
165.05486	0.9
167.07069	8.3
173.04527	1.3
173.06010	0.9
175.03938	3.5
175.07535	1.3
177.05544	0.8
179.03433	1.1
179.05527	7.1
181.05055	2.6
183.08182	0.6
185.06116	0.7
191.05548	12.6
191.07167	1.1
192.05919	1.6
193.04999	43.4
194.05356	1.8
195.06427	0.7
201.05524	1.1
203.03477	5.4
235.06091	1.7
255.06502	1.0
255.10226	1.1
274.07794	0.6
287.09286	0.9
353.08777	0.6
373.11395	100.0
374.11758	8.7
448.14569	0.6
467.15298	1.3
479.15552	2.8
511.14688	5.1
519.18768	1.2
563.17682	1.9
689.16724	0.6
743.24060	33.6
744.24304	5.9
761.25250	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	759.4816
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	10.0
71.49138	5.1
78.95776	77.4
80.96400	3.9
91.68676	2.7
96.96812	7.5
113.09566	6.1
144.39517	3.2
152.99500	56.4
161.27426	2.7
168.91106	2.9
171.00560	7.0
171.10162	4.2
172.13266	3.1
178.74222	3.4
191.05522	4.9
195.13855	13.5
227.03200	5.0
253.21655	19.2
254.66364	3.2
255.23264	82.4
256.23560	8.5
277.21664	12.2
279.22986	3.5
281.24768	3.5
293.21222	57.4
294.21405	7.6
295.22806	31.5
425.33167	3.6
429.20090	3.5
521.25836	4.8
522.25848	7.6
523.26740	45.7
524.26636	3.5
715.79791	3.8
759.48218	100.0
760.48718	31.6
780.21960	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	761.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01234	2.5
66.02127	1.0
69.22169	8.1
69.22562	2.1
69.44944	1.0
71.01250	1.5
72.99165	1.6
75.00743	5.7
81.03345	0.9
83.01210	1.1
83.04871	1.2
85.02806	1.2
87.00745	5.9
93.03328	10.3
99.00731	0.9
103.00250	3.5
111.04437	5.4
112.98707	5.3
127.82512	0.9
133.02849	2.0
134.03629	1.1
135.04416	13.0
137.02307	2.5
142.99719	1.1
145.01315	2.2
155.03374	3.3
157.01373	1.3
160.01532	1.1
161.02370	5.3
173.04419	1.5
179.03426	7.9
191.05513	4.8
199.04103	12.1
217.05202	3.9
259.06400	1.1
263.05731	1.4
271.02679	4.1
299.05698	1.3
327.05371	4.6
333.06290	4.3
361.06961	1.7
379.08340	1.2
418.10382	1.5
419.10031	24.3
437.11020	2.2
523.11981	1.7
537.90369	0.9
598.13281	1.8
729.16827	2.1
761.19501	100.0
762.19720	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	759.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00450	2.0
59.01250	73.4
60.01598	1.9
60.79232	1.5
67.01756	29.3
68.99674	13.6
69.02968	1.7
69.03323	31.7
71.01245	31.8
71.38082	3.7
72.99165	1.9
73.02809	2.5
76.20106	1.5
80.04874	1.5
81.03321	1.7
85.02834	12.5
87.00764	7.5
89.02316	30.8
93.03329	11.9
95.01254	10.2
95.04891	38.3
96.05219	1.6
96.95848	2.1
97.02815	11.3
99.04367	3.4
101.02321	35.9
107.04874	2.0
109.02835	2.4
111.00749	27.5
113.02312	12.3
119.03386	12.3
119.04869	4.0
121.02840	100.0
121.06458	4.3
122.03120	3.1
123.00764	7.4
123.04400	31.8
126.24269	1.5
127.03902	50.9
134.39975	1.5
135.04382	5.1
137.02356	10.1
137.05995	2.0
139.00262	20.0
139.03902	4.4
141.33192	1.5
143.03441	3.3
145.02831	1.5
147.04376	6.6
149.02330	10.2
149.05957	7.5
151.03842	1.6
155.03346	1.6
158.24126	1.6
161.04434	6.5
161.05766	2.1
163.03908	7.6
165.01848	14.7
165.05475	22.0
179.03366	4.2
179.05487	16.8
179.07059	4.5
180.07845	6.8
181.04950	5.5
183.02870	10.9
189.05473	3.9
191.03410	9.6
191.05507	18.7
193.04958	12.4
207.06526	5.8
209.04500	2.8
213.03964	2.2
217.05035	7.8
218.05255	1.6
223.06117	10.4
223.09575	7.5
230.99051	1.7
235.06075	29.8
236.06587	1.9
253.07111	2.7
283.08218	2.6
285.06210	2.5
313.09250	4.2
335.08578	1.8
355.10367	11.6
371.09854	10.4
373.11334	46.2
374.11697	6.0
397.11432	2.0
403.12341	31.0
404.12662	2.4
415.12433	31.9
416.12488	2.2
425.14523	1.9
445.13147	3.1
451.12006	1.7
459.14432	3.5
474.16949	3.5
475.14545	8.8
477.19077	5.5
489.19229	8.2
507.20090	12.9
508.20099	2.1
519.20172	33.1
520.20721	4.5
727.20697	13.2
728.21454	3.1
759.23462	57.8
760.23932	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	759.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	1.6
57.03289	1.5
58.00458	2.0
59.00959	3.1
59.01249	54.3
59.09583	1.7
62.44023	1.5
67.01761	16.6
67.43569	1.5
68.99693	19.7
69.03326	32.0
71.01257	38.2
72.99173	3.3
83.01215	2.1
85.02805	8.3
87.00744	10.5
89.02320	41.0
93.03333	6.6
95.01245	4.9
95.04905	35.4
96.05244	1.7
97.02811	10.0
98.19726	2.9
101.02322	40.5
107.04904	2.1
111.00761	24.6
113.02326	17.9
119.03390	19.3
119.04845	2.3
121.02843	100.0
121.06487	4.2
122.03189	5.2
123.00760	5.7
123.04409	38.2
124.04748	2.9
125.02346	2.3
127.03902	33.4
131.03377	2.1
137.02316	3.7
137.05952	3.7
139.00270	15.5
139.03917	2.9
143.03365	3.4
147.04512	7.4
149.02379	11.6
149.05969	7.8
151.03891	2.1
160.77617	1.6
161.04503	7.7
163.03839	2.8
165.05510	21.6
167.07097	1.8
179.03777	1.8
179.05539	44.6
179.07039	4.7
181.04950	4.9
183.02927	15.3
191.03418	6.1
191.05505	6.0
193.05011	15.2
201.12932	1.7
213.03963	3.2
223.06013	19.4
225.13354	1.4
229.68901	2.5
235.06007	1.8
243.05055	3.4
249.49666	1.5
253.07146	17.0
267.72156	2.0
283.08118	1.7
355.10382	15.0
371.09744	9.9
372.10468	1.8
373.11398	24.0
374.11795	2.3
403.12424	25.2
404.12979	3.3
415.12454	49.0
416.12610	4.7
445.13495	6.5
475.14590	17.0
476.14749	1.6
517.15143	2.0
639.70056	2.2
727.20929	36.4
728.21234	7.7
759.23438	63.1
760.23840	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	759.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	2.4
57.03314	2.9
58.00461	5.0
58.77294	2.1
59.01250	75.1
67.01764	28.7
68.99683	17.1
69.03330	50.1
69.20409	27.5
71.01252	56.4
72.99162	4.2
73.02808	2.4
78.95775	2.2
83.01249	2.6
84.77564	2.1
85.02831	22.5
87.00751	7.2
89.02318	43.3
90.38284	2.1
93.03338	18.7
95.01252	10.8
95.04906	33.3
97.02833	30.3
99.00703	2.4
99.04384	3.1
101.02328	44.6
101.08209	2.5
111.00794	21.0
112.76469	2.3
113.02327	39.8
119.03381	18.6
119.04870	6.3
121.02846	100.0
121.06489	7.9
122.03168	3.1
123.04413	33.8
127.03913	47.0
139.00264	21.4
143.03424	2.9
145.05185	2.6
147.04399	9.4
149.02344	15.5
149.04866	2.6
149.05923	15.2
161.04501	11.8
163.03903	4.4
165.05470	20.8
167.07025	2.6
173.04491	4.5
179.05489	18.2
179.07005	4.6
181.04921	6.1
191.03513	6.9
191.05531	24.5
191.07198	3.3
192.05966	3.2
193.04955	27.8
209.04440	3.5
216.06616	30.3
223.06099	20.8
228.06630	4.1
241.09750	4.8
260.05618	3.6
325.03506	5.0
355.10452	12.3
371.09613	11.9
373.11459	44.6
374.11688	4.0
403.12317	24.5
423.20331	3.1
423.74774	2.7
511.57938	2.6
579.16730	3.3
588.43005	2.4
619.12848	2.8
683.21002	3.0
727.20996	11.4
728.21313	3.2
755.34595	2.8
759.23151	94.9
760.23438	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	759.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38663	1.4
54.16011	1.6
56.55182	1.8
57.03305	1.8
58.00454	3.2
59.01252	54.7
61.98682	3.1
67.01410	2.1
67.01757	31.0
68.99685	19.6
69.02957	3.0
69.03318	45.9
70.97215	1.7
71.01254	51.7
71.51402	2.5
72.99168	3.3
73.02808	2.7
78.95757	3.0
83.25533	2.0
85.02807	14.2
87.00746	9.6
89.02312	37.1
93.03329	17.9
95.01250	6.8
95.04900	28.2
96.95872	3.5
97.02840	15.8
101.02319	44.2
109.02853	3.6
111.00757	18.4
113.02326	19.7
119.03394	17.2
119.04900	10.9
121.02837	100.0
121.06445	7.3
122.03166	4.8
123.03564	2.3
123.04397	36.2
124.04710	1.9
125.02286	2.8
127.02961	3.0
127.03901	59.7
128.04242	2.0
131.04851	2.8
133.02777	2.3
135.04372	8.5
136.01491	3.1
137.02338	8.5
137.05959	3.5
139.00262	16.8
139.03912	3.4
143.03413	2.6
147.04385	7.7
149.02345	24.6
149.05949	14.4
150.03117	12.5
151.03894	4.8
161.02332	7.3
161.04437	6.8
161.05809	2.8
163.03838	6.3
165.01817	3.6
165.05498	37.0
166.02490	3.6
173.04442	4.8
175.03839	4.4
177.01785	2.0
179.03386	7.5
179.05478	21.3
179.07051	5.0
180.04149	2.5
181.04947	7.7
184.22876	1.7
189.05484	2.7
191.03496	5.1
191.05534	50.1
192.05812	2.9
193.04962	32.3
194.05563	2.4
195.06525	8.2
213.63614	1.9
219.06583	2.2
223.06027	14.4
235.06082	2.9
263.06976	1.8
355.10413	16.0
371.09717	12.9
373.11447	11.8
383.11261	7.0
394.11227	2.0
403.12418	30.8
403.17471	3.7
404.12933	2.9
406.26608	1.9
415.12216	5.4
553.20111	2.3
582.13147	1.8
597.19586	8.9
727.20856	13.2
728.21149	3.5
759.23401	75.2
760.23401	14.0
772.48840	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	758.3969
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08867	0.1
61.98705	100.0
62.98394	0.2
70.07942	0.1
70.08358	0.4
78.95786	1.4
82.54472	0.1
89.78120	0.1
96.96861	0.2
130.11209	0.1
136.02957	0.1
152.99503	0.6
171.10124	0.1
174.66061	0.1
191.05594	0.3
192.41388	0.1
206.03810	0.1
211.13303	0.1
213.93976	0.1
251.80344	0.1
278.21906	0.1
293.21243	0.2
329.23395	0.1
483.24097	0.1
758.43811	0.3
759.44299	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00469	3.7
59.01251	67.9
61.98691	2.2
66.95685	1.9
67.01760	19.7
68.99686	17.5
69.03326	36.3
71.01245	49.8
71.51348	2.1
71.51722	2.3
72.99175	4.0
76.87681	2.0
83.01243	3.7
85.02825	10.8
87.00762	7.0
89.02313	47.4
89.02842	3.3
93.03336	15.7
95.01260	11.1
95.04897	32.5
97.02804	11.6
99.04389	2.1
101.02320	44.7
101.02933	3.7
108.02058	4.1
109.02898	5.1
111.00769	24.1
113.02328	18.5
119.03402	19.0
119.04914	7.4
121.02843	100.0
121.06502	7.2
122.03205	2.5
123.00785	4.8
123.04404	29.7
125.02370	2.9
127.03905	28.9
131.03386	2.9
133.02905	2.5
135.04395	7.1
136.01593	3.1
137.02367	7.5
137.05992	3.1
139.00282	19.8
139.03934	4.0
143.03389	5.8
147.04408	10.0
149.02359	15.1
149.05988	8.7
150.03090	5.9
151.03830	5.3
152.01073	4.8
152.61615	2.0
153.01865	4.5
153.05455	2.2
155.03415	6.7
159.09502	2.3
161.04474	5.9
161.05843	2.3
163.03943	12.6
163.95288	2.1
165.01814	20.7
165.02846	1.9
165.05464	24.2
167.03442	7.1
173.04390	2.8
179.03392	5.7
179.05528	35.9
179.07083	7.4
180.05754	2.1
181.04906	9.4
183.02924	6.9
191.03467	13.9
191.05534	36.5
191.07147	3.3
193.04941	13.3
195.02887	3.3
195.06512	5.5
207.06560	5.8
209.04546	3.1
217.05043	8.9
223.06029	18.2
235.06058	38.1
236.06439	2.6
241.07150	3.4
253.07214	3.5
255.03139	2.3
284.03021	2.1
297.03992	2.3
337.03741	2.3
341.09970	2.3
355.10364	6.5
371.09796	20.7
373.11292	22.5
396.10086	2.0
403.12436	57.3
404.12759	5.5
415.12296	10.7
417.15485	2.5
597.20313	5.5
727.20715	16.7
728.22290	3.4
759.23260	56.0
760.23517	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	757.4363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00183	2.5
57.69212	2.1
59.01261	12.3
60.72665	2.4
61.98703	29.9
71.01254	89.0
71.50809	3.4
72.99193	2.1
76.89645	2.2
78.95775	42.0
96.96820	4.4
101.02285	3.8
113.02295	2.5
125.09605	2.4
152.98312	2.7
152.99477	20.9
163.11220	3.1
171.10178	62.6
172.10539	3.9
191.05507	4.1
197.11751	7.2
199.09645	9.7
201.11215	10.1
207.10202	14.5
225.11247	5.7
235.08263	6.4
243.05116	2.2
253.09233	6.5
277.21713	100.0
278.22064	12.0
293.21432	2.9
311.22318	3.8
372.10803	2.3
445.19748	3.7
447.21262	6.1
721.42090	3.8
757.43115	35.6
758.43597	7.8
767.90857	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	757.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14251	0.4
57.03327	0.7
58.02219	0.4
59.01245	5.6
60.99176	1.3
61.98701	1.6
64.47684	0.4
64.84131	0.5
67.01756	4.5
69.03337	1.6
69.67442	2.8
71.01255	2.9
71.60734	0.4
74.89713	0.3
78.95792	1.0
81.03335	1.5
83.01257	0.5
83.04906	1.5
85.02822	10.2
87.00745	6.9
88.01048	0.5
93.03334	31.1
94.03675	0.8
96.95898	0.7
99.00769	0.7
101.02323	0.7
103.40988	0.4
109.02850	0.9
110.99830	0.4
111.04398	3.9
113.02359	0.6
125.09679	0.4
127.03114	0.5
127.03892	2.5
129.01814	0.7
133.02872	0.5
134.03625	0.4
135.04433	2.9
136.01599	0.6
137.02351	1.2
146.03691	0.4
147.04384	0.5
151.00282	0.5
152.99501	1.0
154.02661	0.5
155.03374	1.4
158.07198	0.7
159.04465	2.4
160.05205	1.2
161.02351	0.6
161.05940	1.0
171.02939	1.5
171.10141	0.8
172.05231	1.9
173.04459	12.0
173.05997	3.7
174.03110	0.6
174.06596	0.9
177.01836	1.1
179.03392	0.8
185.05963	1.5
185.11717	0.6
186.06760	1.3
187.03998	1.0
187.07578	4.0
189.09216	1.2
191.05533	100.0
192.05894	2.9
197.11751	0.7
198.03212	0.6
199.07516	0.8
200.04709	0.9
201.05550	1.0
201.09102	0.6
202.06194	0.8
207.10167	0.7
209.11823	2.9
210.12135	1.4
213.05557	0.9
215.05301	0.5
215.07109	4.9
227.03493	0.5
227.07036	0.7
227.12915	0.8
229.08624	1.0
231.10214	0.5
233.06615	13.8
234.07043	0.6
251.06992	0.5
255.02925	2.6
255.06567	1.9
256.03479	0.5
256.07376	1.9
257.08130	2.0
271.13095	0.6
283.02457	2.4
283.13409	3.9
284.03183	1.7
285.03958	1.0
285.15002	0.7
287.05499	0.6
291.05942	0.5
293.21252	0.8
297.14862	1.2
299.12567	0.5
301.14444	3.0
302.15088	1.0
303.15939	1.1
309.20731	1.2
310.21027	0.6
315.16064	1.0
327.16211	0.6
329.14130	0.7
341.13733	0.6
352.07977	0.7
358.14099	1.4
391.19135	0.5
405.12103	0.6
409.20053	1.3
427.21188	16.3
428.21490	2.3
441.22736	0.6
442.23459	0.8
445.06525	0.4
446.08508	2.7
447.09256	1.6
449.14377	1.9
450.20544	0.5
467.20932	0.8
468.21390	1.9
519.19159	0.5
523.27026	1.0
533.20465	1.4
547.27191	0.6
565.28149	5.3
583.28857	0.8
595.25061	0.8
660.27759	1.0
757.34271	26.1
758.34473	6.2
775.09198	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	0.8
57.03324	0.7
58.00460	5.0
59.01249	100.0
60.01578	0.6
67.01776	1.1
68.99689	22.5
69.03326	7.4
71.01252	74.5
72.01594	0.5
72.99178	4.7
73.02824	1.4
83.01247	2.1
85.02818	10.6
85.62074	0.6
86.03140	0.4
87.00747	3.6
88.64485	0.6
89.02316	81.2
90.02647	1.2
93.03339	1.4
95.01264	6.3
97.02824	0.9
98.20544	1.3
99.00746	1.4
101.02322	67.6
102.02660	1.5
113.02328	26.1
114.02683	0.6
119.03388	30.2
120.03719	0.5
121.02841	3.5
123.04395	1.0
125.02349	0.9
127.03864	1.0
129.01796	1.3
131.03392	4.5
135.04405	1.1
143.03404	5.7
144.03798	0.5
145.02887	0.9
147.04402	1.3
147.28799	0.5
149.02348	3.2
149.04460	2.6
149.05978	1.3
155.03357	2.1
157.02829	0.6
158.03654	0.5
161.04480	6.3
165.05490	0.6
171.04427	0.5
173.02299	1.0
173.06024	1.1
175.03879	0.8
179.03371	1.3
179.05537	16.3
181.04987	9.5
189.05502	0.9
191.05496	2.6
199.03995	0.5
201.01808	1.4
201.05463	1.4
205.04930	1.5
210.10020	0.4
217.04965	1.3
233.04544	5.9
233.08153	2.0
251.09048	0.6
261.04031	2.5
261.07751	0.5
293.06711	1.1
305.87817	0.5
313.10806	1.3
335.12430	0.7
345.09161	0.6
353.08536	1.4
353.50522	0.4
493.17163	20.3
493.24329	1.0
494.17740	3.1
525.16089	40.1
526.16345	6.0
545.16418	0.6
577.18573	1.4
595.20508	5.1
596.20294	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	1.1
57.03312	1.4
58.00465	3.8
59.01253	100.0
60.01567	1.1
61.98700	0.9
67.01762	3.6
68.99692	41.6
69.03333	12.6
71.01254	67.6
71.06503	1.0
71.06818	1.3
72.99191	5.7
73.02825	2.1
75.00741	0.9
83.01270	2.4
85.02832	11.5
87.00755	3.9
89.02322	72.5
93.03333	6.6
95.01256	5.9
97.02818	1.9
99.00754	2.4
101.02325	78.7
102.02664	2.1
107.04907	1.4
113.02338	24.9
114.02717	1.1
119.03397	29.0
119.04813	1.1
121.02848	6.0
121.06491	2.6
123.04385	2.1
123.98698	0.9
127.03851	4.1
129.01814	1.3
131.03395	3.6
133.02811	1.2
135.04410	3.2
143.03409	5.8
145.02861	1.4
145.06456	1.4
147.04413	2.6
149.02399	5.3
149.04471	3.3
149.05939	1.8
151.03951	1.1
153.01848	1.2
153.05504	5.9
155.03444	3.0
161.02391	1.1
161.04488	5.0
161.05637	0.9
171.04446	1.0
173.02356	1.4
173.04521	1.4
173.06004	2.1
175.04007	0.9
179.03430	4.2
179.05537	13.9
181.04984	11.3
189.05576	1.7
191.05547	13.1
191.07146	1.6
193.05005	2.9
201.01849	0.9
201.05511	1.0
203.07039	1.0
205.05058	1.2
205.08630	1.1
217.05054	1.2
225.03882	2.1
233.04579	6.5
233.08154	2.4
249.07645	1.0
250.36653	0.9
261.04001	3.1
277.07126	1.0
284.03217	1.1
285.03845	1.1
287.86954	0.9
293.06671	1.2
295.08221	3.4
296.11246	1.0
299.05402	1.2
313.10873	2.3
353.08725	3.5
413.14304	1.5
493.10413	1.7
493.17236	23.8
494.17578	1.9
516.23077	0.9
525.16174	38.9
526.16425	5.9
577.18915	1.3
595.20453	10.7
596.20612	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	756.3809
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	0.2
61.98699	100.0
62.58218	0.1
62.98396	0.2
71.06030	0.2
75.47385	0.1
78.95773	0.9
118.30703	0.1
119.16254	0.1
151.68536	0.1
152.99498	0.4
191.05556	0.2
199.26682	0.1
207.10213	0.1
209.11765	0.1
249.18626	0.3
250.18932	0.1
259.13284	0.1
423.53873	0.1
517.54474	0.1
581.88391	0.1
756.40735	0.2
757.42725	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.3813
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98703	100.0
62.98419	0.3
70.92382	0.2
71.51228	0.3
78.72877	0.2
78.95786	1.2
79.07072	0.2
79.54559	0.2
79.73096	0.2
135.08023	0.2
152.99516	0.8
166.75983	0.2
169.12292	0.3
191.05589	0.3
197.11868	0.3
198.95715	0.2
249.18585	0.2
251.19914	0.2
258.14774	0.2
270.04333	0.3
277.21863	0.6
278.22159	0.3
338.41864	0.2
359.67264	0.2
422.01233	0.2
508.97885	0.2
688.51385	0.2
693.32599	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	1.1
58.00462	1.4
59.01249	24.6
61.98700	1.2
65.03831	0.4
67.01755	2.5
68.99686	48.8
69.03326	15.8
69.28108	0.7
69.28512	2.3
69.30121	0.2
70.00021	0.5
71.01252	23.5
72.01569	0.4
72.99185	1.5
73.02814	5.3
75.00739	0.5
77.25336	0.3
79.01777	0.4
81.03332	1.3
83.01253	1.9
83.04903	0.3
85.02818	9.4
86.03162	0.4
87.00745	1.7
89.02315	20.2
93.03334	4.1
95.01260	27.7
95.04910	1.0
96.01604	0.8
96.95889	0.7
97.02827	3.0
98.19839	0.5
99.00762	0.6
101.02319	100.0
102.02676	1.7
105.03314	0.3
107.04908	0.5
108.02061	1.2
109.02827	2.1
111.00773	0.5
113.02332	15.4
114.02685	0.6
115.03876	0.4
119.03385	7.6
119.04910	0.8
120.03661	0.3
121.02844	5.0
123.00784	0.6
123.04404	43.0
124.04720	1.4
125.02352	1.5
127.03894	1.2
131.03413	1.3
133.02855	0.5
135.04375	0.7
137.02350	2.1
137.06006	0.4
139.00203	0.3
139.03853	0.4
143.03398	5.0
147.04410	0.9
149.02341	4.1
149.04379	0.5
149.05965	0.5
150.02744	0.3
151.03873	0.8
152.99512	0.3
153.05444	0.3
155.03398	86.8
156.03738	3.2
161.02385	0.5
161.04457	9.1
161.05815	0.5
162.04819	0.5
163.03957	0.6
165.01901	0.7
165.05484	0.8
167.03368	0.4
169.04956	4.6
173.04459	0.7
175.03915	2.3
177.05516	0.3
179.03471	0.7
179.05521	4.5
180.05783	0.3
181.04974	5.7
191.03766	0.4
191.05530	6.7
192.05827	0.4
193.04984	0.9
195.06532	0.4
197.04478	4.7
207.06549	1.2
209.04550	0.6
221.08067	0.5
225.07642	10.8
226.07957	0.7
227.05515	2.8
239.05608	0.6
253.21642	0.5
257.06622	2.3
269.04587	0.5
285.03848	0.4
293.21234	0.4
309.09784	4.0
317.08755	6.8
318.09000	0.3
387.12866	1.8
397.35144	0.3
435.16708	0.3
471.15027	17.4
472.15463	2.2
489.16214	1.1
521.24884	0.5
525.16101	5.8
526.16467	0.6
539.30151	0.4
563.17572	0.7
565.28058	1.2
595.19861	2.8
709.28741	0.3
725.23376	0.6
757.46497	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.422
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69440	0.4
57.03300	0.6
58.00477	0.9
58.11614	0.4
59.00956	0.8
59.01250	16.2
61.98702	2.4
65.24361	0.4
69.03320	0.8
69.25289	3.7
71.01249	4.8
71.60165	0.4
78.95790	2.4
80.02537	0.6
81.03319	1.3
83.01250	0.5
83.04895	5.1
84.02065	0.8
84.25317	0.4
85.02802	1.1
86.38598	0.5
87.00745	1.5
88.00294	0.5
88.98663	0.9
89.02328	2.9
93.03333	1.0
94.61389	0.4
95.04903	0.9
96.95884	1.1
97.02812	1.7
97.06467	0.7
101.02332	3.1
109.06519	0.5
111.08047	5.4
113.02341	1.8
119.03382	0.7
120.04363	0.4
125.02370	0.6
125.09570	0.5
133.02870	0.6
135.04362	0.7
135.08070	0.9
137.09669	0.5
152.99478	2.3
153.12720	0.6
161.04448	1.2
163.11147	3.6
165.12761	2.8
169.12238	2.9
171.10178	2.3
172.71391	0.4
173.04503	0.9
178.55263	0.5
179.03360	0.5
179.10657	0.4
181.12273	1.6
191.05530	5.7
191.10629	0.8
193.12219	0.4
197.11763	31.1
198.12070	1.1
199.13345	1.9
207.10214	0.5
209.11768	100.0
210.12091	6.6
211.13354	3.5
223.13274	0.5
225.11234	1.4
227.12848	12.8
235.08241	3.0
247.20573	0.9
249.15012	0.4
251.16501	0.5
253.09274	13.7
254.09369	0.7
255.02864	0.8
263.20154	1.3
265.18170	1.2
265.21481	0.4
273.18527	1.1
283.02637	0.8
284.03342	1.7
285.03940	4.0
291.19653	14.6
292.20087	1.0
293.21243	1.3
309.20691	40.1
310.21103	3.7
445.20795	1.0
545.30023	0.5
727.28516	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	3.6
57.72620	1.3
59.01245	3.8
60.47409	1.4
61.17183	1.4
61.98701	22.2
63.02261	2.3
63.26607	1.4
65.00191	11.2
69.75315	7.0
71.01240	6.1
71.02526	1.5
73.66990	1.5
78.95752	2.5
80.96400	1.5
82.95281	2.4
83.01251	8.6
83.02367	2.2
85.02808	5.0
87.00751	2.7
89.02310	2.2
93.03353	7.7
96.95873	10.6
101.02293	2.0
107.01272	14.3
109.02827	2.3
111.04382	1.6
113.02309	1.9
117.35079	1.6
119.03396	1.6
123.04389	5.4
123.09910	1.5
124.01538	2.2
125.02345	37.1
127.03846	1.7
133.02846	5.1
135.04369	8.7
137.02367	2.2
142.40402	1.5
149.02327	2.1
151.00276	51.6
152.00696	2.0
153.01688	2.0
159.04451	3.3
160.05225	1.6
161.02391	3.5
165.01781	2.5
167.03423	13.0
169.01291	3.1
172.05168	2.0
173.04445	5.3
174.03130	1.6
174.06816	4.0
175.03966	1.5
177.01826	2.2
179.03391	3.3
184.81522	1.4
185.06055	2.3
186.06769	2.6
187.03928	1.3
187.07542	1.5
191.03749	2.5
191.05548	48.3
192.05835	4.6
199.03969	2.3
209.11708	4.3
211.03993	1.4
225.05428	2.3
241.12321	2.3
255.02971	4.1
256.03763	1.9
269.04492	2.4
283.02414	2.8
284.03311	10.4
285.04031	46.5
286.04422	3.1
296.03262	1.9
297.03931	2.0
297.14902	2.9
298.04889	1.7
308.03110	2.4
309.04025	5.8
311.05652	2.2
315.15936	3.1
331.06686	1.7
337.07077	1.6
363.36993	1.5
371.14590	1.7
423.21539	3.7
433.12589	1.7
449.15430	1.7
451.13950	5.2
467.16638	2.7
469.19113	1.6
563.26819	2.9
575.22498	6.4
593.23907	100.0
594.24365	15.5
635.24689	3.4
712.25610	1.9
755.29144	72.6
756.29791	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	755.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	2.3
58.00468	4.1
59.01252	100.0
61.98698	3.8
65.03838	1.2
67.01746	7.3
68.99684	25.2
69.03332	14.1
70.52863	4.3
71.01253	65.3
72.64711	1.0
72.70496	1.2
72.99181	5.7
73.02835	5.4
80.96400	2.4
83.01260	4.2
83.04892	1.2
85.02818	23.5
87.00739	7.5
89.02317	66.6
93.03332	17.2
95.01264	21.5
95.04885	7.7
96.95933	1.8
97.02831	1.6
99.00785	1.8
101.02322	69.6
102.02678	1.1
106.81463	1.1
107.04929	2.3
109.02837	1.3
111.00771	6.6
111.04401	1.9
113.02334	31.8
119.03390	25.6
119.04901	2.3
121.02841	29.3
121.06458	6.3
123.04412	19.0
125.02315	1.6
127.03912	12.3
129.07004	1.8
131.03386	2.9
133.02869	3.4
135.04417	3.4
137.02353	1.6
139.03911	2.7
143.03404	6.4
145.06474	4.8
147.04422	3.3
147.08046	5.0
148.05205	82.9
149.02330	4.1
149.04417	3.2
149.05574	4.6
150.03143	1.1
151.00233	2.0
153.05490	3.6
155.02209	2.3
155.03404	32.0
161.04503	10.4
161.05772	2.0
163.03908	2.7
163.07550	51.0
164.07877	4.5
165.01825	3.8
165.09097	2.1
173.00890	1.7
173.04457	4.3
173.06013	5.5
175.03882	2.5
179.03406	4.2
179.05521	16.6
181.04967	2.1
189.05496	2.9
191.01956	1.2
191.05522	29.8
191.07088	9.9
192.05913	2.6
195.06644	1.3
195.10210	1.1
199.03934	1.4
202.51686	1.1
205.08514	1.2
209.08124	3.0
209.30885	1.2
217.04970	3.2
223.09700	1.3
225.04129	1.2
225.07652	5.9
231.05115	1.7
257.11487	1.2
259.06107	1.9
283.08246	1.4
285.04022	20.8
286.04395	20.8
287.04553	12.4
309.09726	2.7
327.07230	5.8
335.11456	2.0
341.08691	2.8
371.13382	13.9
373.83716	1.4
387.12952	1.6
395.13190	1.6
397.11209	6.7
415.12494	5.3
416.12271	1.5
429.13962	2.8
439.11850	1.7
447.16574	6.1
457.13406	3.8
473.18280	2.1
491.15567	24.8
492.16092	3.2
505.17297	9.2
506.17389	1.6
543.18750	5.4
559.16766	7.2
561.19452	1.7
563.21484	1.6
668.66528	1.3
723.25140	26.4
724.25397	6.5
743.91638	1.4
755.31464	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	753.4065
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	2.2
59.01252	17.8
59.14679	1.7
61.98695	4.8
69.03323	3.3
71.01250	12.0
71.50718	3.0
78.95772	4.8
80.02549	1.5
81.03329	4.9
83.01245	1.6
83.04903	7.4
85.02816	6.0
87.00756	4.0
89.02318	6.5
93.03326	1.7
95.04851	1.7
96.42627	1.5
97.02814	8.6
97.06491	3.7
101.02310	10.3
104.26331	1.7
107.04913	1.9
109.06472	31.1
110.03590	2.4
111.08043	5.4
113.02321	6.8
121.06499	2.4
123.04425	3.9
125.09592	4.5
135.08037	4.4
135.45485	1.5
137.09592	2.7
142.02629	1.7
146.50964	1.7
151.11180	2.4
152.99469	4.3
161.04417	4.0
161.09648	1.8
163.11191	24.7
165.12749	3.7
169.12245	5.0
171.10153	3.6
171.86862	1.5
179.10722	1.8
181.12268	6.5
185.11755	4.5
189.09138	3.2
191.05489	9.2
191.10721	1.8
191.14301	3.5
197.11743	39.2
198.12112	1.5
199.13309	2.9
203.96260	1.4
207.10199	87.4
208.10551	6.0
209.11766	100.0
210.12097	4.0
211.13354	5.4
225.11256	35.2
227.12891	14.0
235.08179	7.7
237.11244	2.1
245.19131	9.0
249.15071	2.2
250.30339	1.7
253.09293	29.3
263.20190	4.6
271.74301	1.8
277.21741	2.3
285.04138	2.7
289.18079	39.2
290.18396	2.0
291.19659	18.7
293.21008	2.0
299.15045	2.2
305.03922	1.7
307.19171	34.6
308.19485	2.4
309.20712	59.2
310.21088	5.2
443.19168	2.9
461.20346	10.3
499.30453	2.8
564.84338	2.0
637.33014	2.0
658.36139	1.7
717.38165	2.6
735.39709	4.3
753.28809	2.3
753.40808	29.7
754.41071	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	754.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
58.15395	0.1
59.01245	0.6
61.98701	100.0
70.11272	0.8
71.01219	0.1
78.95799	1.1
80.96407	0.3
83.01283	0.2
107.01302	0.3
117.03339	0.2
118.01182	0.2
135.08093	0.7
137.68181	0.2
149.02368	0.3
151.00330	0.5
152.99510	0.6
179.07071	1.3
180.07390	0.3
191.05608	0.3
197.08208	0.2
200.04665	0.2
211.03934	0.3
212.04802	0.2
239.03535	0.7
240.04204	0.6
253.09247	0.2
267.02887	0.2
268.03745	14.7
269.04440	4.6
277.21713	1.2
278.22159	0.5
311.05771	0.3
332.98257	0.2
601.09869	0.2
623.79553	0.2
691.31177	17.8
692.31537	4.4
694.39270	0.4
755.41083	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07498	0.1
57.03313	0.4
59.01241	1.1
60.99183	1.4
67.01762	4.0
69.03329	1.6
69.16350	0.1
71.01244	1.7
71.50775	0.3
71.65165	0.2
73.02811	0.2
74.73007	0.1
76.47133	0.2
81.03337	0.8
83.04881	0.6
85.02824	4.8
87.00755	6.5
93.03338	27.7
94.03672	0.7
97.02808	0.1
99.00766	0.6
99.04388	0.6
101.02316	0.3
109.02823	0.9
111.00768	0.2
111.04411	3.9
113.02341	0.4
115.03938	0.3
117.03329	0.7
127.03908	1.4
129.01862	0.7
134.03635	8.7
135.03984	0.3
137.02393	0.3
143.03410	0.4
149.05994	0.6
155.03401	0.6
160.01622	0.4
171.02914	0.4
173.04474	8.3
174.04785	0.3
175.03970	0.5
178.02673	0.2
191.05545	100.0
192.05894	3.5
193.04980	5.0
194.05331	0.3
367.10333	39.2
368.10730	3.4
368.15485	0.2
530.11383	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	1.3
59.75577	0.5
61.98716	1.4
62.58220	0.5
69.23820	3.3
69.24241	1.7
71.01272	1.1
93.03335	5.1
95.01256	0.7
95.04906	0.8
96.32650	0.4
108.02060	1.2
109.02843	2.5
110.46039	0.5
111.46223	0.6
112.89333	0.5
117.03365	0.6
119.04939	0.8
121.02842	10.4
122.03637	16.0
123.04462	2.9
124.01530	1.3
132.02058	1.8
133.02855	8.1
134.03647	6.2
135.04398	1.6
136.01561	2.3
137.02328	1.5
145.02856	4.4
146.03627	3.7
147.04416	5.2
148.05270	0.8
149.02347	26.4
149.05983	7.8
150.03125	100.0
151.03522	4.5
160.05167	0.7
161.02347	1.5
161.06012	2.9
162.03152	3.0
163.03931	1.1
164.04684	7.2
165.05479	94.2
166.05823	4.7
175.07521	0.7
177.01749	0.7
177.05469	3.3
178.06099	0.5
179.07031	3.9
180.04198	6.2
181.04962	0.6
191.05510	4.7
195.06548	39.3
196.06894	1.4
271.06195	0.6
271.09384	0.6
297.11209	0.6
299.05536	0.8
314.07852	1.4
315.12155	0.7
329.10181	1.6
329.13885	2.1
343.11984	0.8
346.14117	1.7
347.14944	3.9
361.12161	0.9
361.16577	15.6
362.17026	1.5
415.17441	3.3
477.19003	0.7
479.19867	0.6
507.19833	0.6
509.21747	27.3
510.22055	4.5
521.21826	3.8
522.22504	0.8
525.21191	0.7
539.22809	5.7
540.23145	0.9
557.23975	6.1
558.23956	1.8
563.22736	2.8
564.23364	1.1
574.94080	0.6
593.23431	0.8
611.24890	2.1
612.24994	0.7
657.26978	10.9
658.26904	1.8
669.26453	1.9
687.28070	8.1
688.28088	2.1
699.27533	1.5
705.29132	9.6
706.29773	2.9
717.29327	2.7
735.30151	3.5
736.31592	0.9
753.31073	3.5
754.31018	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63704	0.2
59.01247	0.5
60.65688	0.2
61.98704	0.5
63.02275	0.2
65.00184	0.9
65.40545	0.2
67.01747	0.8
69.03323	0.3
69.25838	0.9
69.26262	1.0
71.01250	0.5
80.96383	0.2
83.01259	0.7
85.02834	1.1
87.00735	1.1
93.03329	5.7
93.03921	0.3
95.01217	0.3
96.95922	0.3
105.03327	0.4
107.01253	2.1
111.04378	0.7
121.02829	0.4
133.02835	10.8
134.03592	0.2
135.04420	0.8
137.02322	0.4
149.02344	1.9
150.03090	0.3
151.00276	4.0
151.01395	0.1
163.03911	0.3
165.05513	0.3
171.04437	0.3
173.04463	2.7
175.03928	2.6
177.01881	0.3
178.02612	0.3
187.03958	0.2
191.05534	9.3
192.05823	0.8
197.05978	0.4
199.03954	2.0
200.04306	0.3
201.01926	0.9
212.04605	0.2
213.05540	0.4
215.03488	0.4
217.05031	1.1
223.04028	0.4
229.05005	0.2
239.03604	0.3
241.05016	0.7
243.02866	0.5
255.02812	0.2
257.04504	0.4
267.02866	0.3
285.04025	100.0
286.04370	6.5
449.14148	1.6
467.15521	3.3
468.15796	0.3
636.99347	0.2
650.85242	0.2
753.29419	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.281
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	0.8
58.00454	1.6
59.01252	33.1
60.26799	0.6
60.99176	1.2
65.32411	0.4
67.01754	0.8
67.53966	0.5
69.03325	28.8
69.54137	2.9
70.03657	0.5
71.01252	27.2
72.01581	0.6
72.99183	2.7
79.01754	0.5
83.01275	0.8
85.02821	3.7
87.00736	1.8
89.02319	22.5
93.03338	7.6
94.03694	0.4
95.01273	1.5
95.04892	0.8
97.02830	40.1
98.03168	1.5
101.02320	10.1
102.02655	0.4
105.03339	2.3
108.02050	0.5
113.02329	8.1
119.03386	8.1
119.04816	0.8
121.02853	1.8
121.06480	1.9
123.04404	8.0
131.03360	0.5
134.03624	0.5
141.01822	1.5
143.03427	0.9
147.04425	0.4
149.05988	14.2
161.04523	0.9
167.07060	6.0
168.62042	0.4
179.05551	3.1
191.05531	0.5
193.04988	33.8
194.05290	1.9
373.11386	100.0
374.11740	9.3
375.11819	0.7
591.68408	0.5
746.96729	0.5
771.68915	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.4849
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.2
57.03316	0.5
59.01253	2.9
61.98705	1.5
65.03807	0.2
68.86353	0.2
68.99696	0.3
69.03329	0.4
70.91019	0.5
71.01257	3.1
71.04886	0.5
72.99196	0.3
73.02816	1.0
78.95774	0.5
80.02539	1.5
80.71617	0.2
81.03343	1.4
83.01258	0.8
83.04895	6.9
84.02054	2.0
84.05285	0.3
85.02828	2.0
87.00768	0.5
89.02314	1.6
90.77919	0.2
93.03348	1.3
95.01267	0.4
95.04913	0.9
97.06505	0.2
99.00783	0.4
101.02319	2.0
105.69461	0.2
107.04944	0.3
109.06463	0.4
111.04429	0.3
113.02345	1.3
119.03416	0.7
121.02844	0.4
122.03629	0.2
123.04409	0.5
125.05998	0.5
125.09629	0.3
133.02814	0.5
134.63020	0.3
135.04385	0.4
135.08057	1.0
137.02383	0.4
147.11691	0.5
149.02342	0.7
150.03149	1.5
151.03833	0.3
153.05426	0.4
161.02362	0.3
161.04459	0.5
163.11220	4.4
164.11510	0.5
165.05455	1.6
165.12772	3.3
166.06145	0.3
166.13029	0.2
167.20297	0.2
173.04497	0.7
177.01889	0.3
179.03447	0.3
179.05527	0.2
179.07098	0.3
181.12268	0.7
183.21381	0.2
191.05557	4.8
191.10709	1.4
192.05835	0.5
195.06554	1.0
199.13481	0.2
209.11774	100.0
210.12120	6.2
211.12256	0.4
227.12846	41.3
228.13191	2.6
229.13303	0.4
285.03738	0.3
323.01779	0.3
361.29630	1.9
522.33661	0.3
523.34839	22.7
524.35333	2.4
525.20520	0.3
526.22693	0.3
703.28052	0.3
751.29633	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.303
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10068	1.2
59.01237	4.0
61.98702	6.8
67.49782	1.4
69.30781	1.1
71.01249	3.1
71.51583	1.4
71.51984	1.7
78.95746	1.6
85.02813	4.1
89.02332	2.4
93.03330	7.1
95.01215	1.5
101.02317	3.7
108.02033	2.6
109.02844	5.2
113.02373	1.3
116.92696	1.4
121.02835	15.8
122.03624	15.0
123.00764	1.5
123.04404	4.7
124.01552	1.6
125.02314	2.6
132.02057	2.3
133.02826	7.1
134.03636	18.6
135.04346	1.9
136.01520	2.1
137.02347	11.3
138.03120	4.5
139.03893	4.8
145.02841	3.7
146.03642	3.7
147.04428	9.0
149.02342	35.5
149.05971	27.2
150.03128	100.0
151.03819	6.9
152.04733	2.0
155.10553	1.2
159.04408	1.8
161.02318	2.2
161.05978	4.7
162.03116	2.7
163.03911	3.5
164.04694	10.3
165.05475	98.5
166.05833	6.2
173.04445	2.7
177.05496	4.7
179.03401	2.1
179.07076	8.9
180.04201	9.7
181.04942	10.7
191.05537	15.0
193.04976	2.1
194.05774	3.0
194.43707	1.1
195.06548	54.8
195.26294	1.2
196.06879	2.6
199.83778	1.1
201.11244	8.4
202.11598	5.4
206.12006	1.0
207.06638	2.4
209.04674	1.1
209.08112	3.8
209.11732	11.5
210.12140	7.1
227.12807	5.7
228.13123	2.3
245.13933	4.1
246.14276	1.3
295.34836	1.3
313.10800	1.4
328.12784	1.3
331.11938	4.1
345.13516	3.7
359.14807	3.2
361.12613	7.4
375.14456	3.6
376.15237	21.0
377.16025	7.6
391.17618	80.7
392.17804	8.5
445.18787	5.7
539.22852	88.9
540.23096	12.1
551.22815	4.5
557.17810	1.3
569.23883	16.6
570.23871	2.8
587.24976	73.4
588.24982	10.7
701.29059	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63058	0.2
59.01257	1.4
61.69138	0.2
61.98704	0.8
70.62571	0.6
71.01251	1.4
72.99179	3.0
75.00745	100.0
76.01082	1.0
78.95788	0.4
81.57952	0.2
85.02818	0.4
89.02333	1.1
93.03316	0.2
96.95908	0.2
97.02824	0.3
101.02316	1.1
109.06475	0.4
113.02349	0.5
119.03420	0.2
125.02352	0.4
125.09605	0.2
129.97726	0.2
140.01129	0.2
151.89575	0.2
161.04480	0.3
163.11212	0.3
163.36470	0.2
171.10138	0.2
191.05594	0.3
197.11705	0.2
207.10181	1.1
209.11789	0.8
223.09639	0.3
225.11301	0.8
227.12982	0.2
235.08199	0.6
249.66916	0.2
253.09187	0.2
277.21689	2.8
289.17966	0.3
293.21259	0.4
295.22830	0.3
296.23120	0.4
305.17557	0.2
307.19220	0.5
309.20615	0.3
314.06006	0.2
397.13461	5.4
398.13815	0.4
415.14587	1.8
733.38763	0.3
741.02020	0.2
742.78662	0.2
751.39459	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97316	0.8
59.01242	4.8
61.98707	6.2
67.01757	0.9
69.77781	0.6
71.01246	7.3
71.51772	0.9
72.99199	1.1
78.95751	0.8
85.02842	2.0
87.00752	1.0
89.02316	5.7
93.03316	6.9
93.38688	0.7
96.95892	1.4
101.02343	2.2
104.64478	0.8
108.02077	1.8
109.02859	1.5
109.95235	0.8
113.02373	0.8
121.02837	13.3
122.03632	16.8
123.00722	0.8
123.04405	2.6
133.02855	3.6
134.03638	2.1
135.04471	3.5
136.01579	3.3
137.02325	2.3
145.02817	1.0
146.03676	1.2
147.04425	2.7
149.02342	33.7
149.04375	1.5
149.05980	1.2
150.03127	96.4
151.03487	4.8
153.01830	1.0
153.05441	0.8
155.10675	1.2
158.90736	0.7
160.05142	1.2
161.02419	0.9
161.05975	2.1
162.03107	0.9
163.03906	3.1
164.04689	12.0
165.05479	100.0
166.06111	8.5
167.07150	1.0
173.04460	2.5
173.05869	0.9
175.03960	2.3
175.07533	0.7
177.05429	2.1
179.03426	1.6
179.07056	2.2
180.04199	7.6
181.04997	1.4
181.08629	3.9
191.05553	16.0
192.04222	0.9
192.05885	1.5
195.06555	73.7
196.05229	0.8
196.06862	3.9
199.09686	0.9
207.06563	2.8
212.04471	0.8
219.06644	0.7
227.12968	0.7
239.07159	1.2
240.04138	3.5
241.08513	0.9
251.07066	1.3
253.04927	1.1
254.05785	1.2
254.09227	0.8
255.06526	1.2
255.10316	1.5
266.05725	1.0
267.06570	2.5
268.07507	0.8
269.08176	13.7
270.08728	4.0
271.09695	1.8
278.06015	0.8
281.08133	2.8
283.06503	1.3
283.09738	6.8
283.54160	0.7
284.10022	0.8
285.04187	0.8
285.11435	1.4
295.06033	2.7
295.09406	1.3
297.08020	1.0
297.11417	2.3
298.08572	6.9
299.09210	10.4
300.09869	1.5
310.08450	2.2
311.09262	13.6
311.12811	1.4
312.09702	2.6
313.10785	13.2
314.11554	20.4
315.12039	4.2
325.10797	4.5
326.07950	1.2
326.11526	12.3
327.12128	2.0
328.13123	4.7
329.13910	54.5
330.14325	6.7
339.08731	2.0
341.09836	1.5
341.13919	25.7
342.14313	3.7
343.11801	29.5
344.12158	3.0
353.09094	1.0
354.10977	0.8
355.11752	2.3
359.14978	0.9
369.13406	9.9
370.13672	1.0
373.12756	3.1
391.14008	2.0
462.17130	0.8
477.18997	4.3
507.20197	18.6
508.20392	2.5
517.18579	2.2
521.17999	2.3
525.20978	2.9
537.21375	3.3
551.19037	1.9
555.22302	6.1
643.24762	0.9
655.25220	1.4
673.25854	4.0
685.26251	1.1
703.27637	12.5
704.27747	3.4
715.25470	1.8
716.26807	0.9
751.29474	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	749.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	5.6
61.98703	17.8
67.01753	1.6
71.01225	4.3
71.08906	3.8
72.99185	1.5
78.95762	4.5
80.23104	1.4
85.02813	6.1
87.00761	2.5
89.02320	3.2
93.03310	10.9
97.02814	2.0
99.21404	1.6
101.02311	4.7
101.52712	1.7
108.02059	2.1
109.02848	7.1
111.00834	1.8
116.23203	1.6
116.92738	4.0
119.11716	1.6
121.02847	12.8
122.03615	12.2
123.04401	4.9
124.01540	1.8
125.02338	4.0
133.02863	9.3
134.03636	14.5
135.04396	4.4
136.01636	2.6
137.02348	11.4
138.03101	2.7
139.03906	4.0
145.02802	4.3
146.03596	3.7
147.04434	9.9
147.87126	2.0
149.02350	29.0
149.05986	24.9
150.03131	88.4
151.03790	7.1
152.04674	1.7
153.05486	1.6
161.02283	2.7
161.05977	4.8
162.03047	1.5
163.03894	4.2
164.04660	10.1
165.01819	2.7
165.05482	100.0
166.05846	5.0
173.04434	6.9
177.05470	3.7
179.03506	2.2
179.07054	8.4
180.04201	9.7
181.04956	10.7
186.50226	1.8
191.05522	31.7
191.07147	3.6
192.05832	1.9
194.05716	2.2
195.06557	48.1
196.06845	3.7
201.11145	3.2
209.08182	3.9
209.11751	2.9
252.13208	2.1
269.04309	2.2
331.11954	2.9
345.13290	4.4
359.15021	3.6
361.12927	9.5
362.13263	3.2
375.14230	2.7
376.15210	20.5
377.15866	7.4
391.17624	70.4
392.17929	6.5
445.18512	6.3
467.57480	1.9
524.50586	1.7
539.22870	86.4
540.23169	11.5
551.22937	3.7
569.24359	11.5
570.24426	2.3
587.24927	67.3
588.25177	10.7
692.69989	2.0
701.27686	2.0
749.26740	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	749.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99137	0.4
55.01751	0.4
58.00461	1.6
59.01251	35.7
60.01567	0.5
60.58446	0.5
60.99164	1.0
67.01756	1.1
69.03323	36.2
69.17429	3.9
70.03664	1.1
71.01252	25.3
72.01582	0.5
72.99173	2.0
73.02814	0.6
83.01260	1.1
85.02818	4.7
87.00742	1.8
89.02315	24.9
93.03337	6.9
94.03690	0.5
95.01253	1.9
95.04898	2.8
95.30072	0.5
97.02829	42.5
98.03161	1.9
99.00779	0.7
99.04379	1.0
101.02327	13.5
102.02641	0.7
105.03345	1.7
106.04132	0.5
107.04943	1.2
108.02023	0.5
113.02332	12.0
119.03384	9.6
119.04892	1.2
121.02818	1.6
121.06482	2.8
123.04403	7.2
124.04691	0.5
131.03391	1.1
131.04941	0.6
141.01840	1.6
143.03384	1.3
149.04662	0.8
149.05980	17.0
150.06308	1.2
151.07561	10.1
160.00218	0.5
161.04480	1.4
167.07053	8.1
169.08621	1.4
172.43616	0.4
179.05522	4.2
191.05539	1.3
193.04997	37.0
194.05348	2.4
195.06569	3.7
206.96988	0.4
211.06113	1.7
213.07631	4.7
355.10397	0.5
373.11383	100.0
374.11710	12.2
375.12842	13.4
376.13144	1.5
452.70749	0.5
499.14688	0.7
573.44592	0.5
765.86053	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01741	0.7
58.00453	2.3
59.01249	46.0
60.01576	1.1
60.99172	0.9
67.01746	1.3
69.03324	59.1
69.78896	1.1
69.79308	2.5
70.03649	1.1
71.01250	30.3
72.99177	2.4
73.02825	1.1
75.10167	0.5
78.54926	0.5
79.83914	0.5
81.03319	1.7
83.01242	1.2
85.02826	5.8
87.00751	1.7
89.02316	32.1
93.03331	4.5
95.01266	2.1
95.04893	4.9
97.02825	25.0
98.03165	0.8
98.20480	0.7
99.00747	0.8
99.04383	3.2
101.02321	15.6
102.02565	0.5
105.03322	1.8
107.04886	1.0
108.45100	0.6
113.02328	12.8
119.02576	1.2
119.03384	12.1
119.04834	0.9
121.02845	3.3
121.06475	9.1
122.06824	0.7
123.04410	5.4
125.05971	3.4
131.03374	0.9
131.04988	0.6
139.07513	1.1
143.03407	2.9
149.04607	0.7
149.05971	9.5
151.03871	0.6
151.07539	15.4
151.08749	0.9
152.07825	1.1
159.03188	0.6
161.04427	2.6
167.07074	3.5
169.08623	5.0
179.05455	4.1
193.04980	20.4
194.05305	1.3
195.06583	9.0
211.48367	0.6
248.06004	0.6
254.87486	0.6
261.60339	0.6
282.90402	0.6
373.11380	59.3
374.11734	8.0
375.12933	100.0
376.13251	9.8
430.99420	0.7
446.84448	0.6
603.73529	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.287
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	1.7
59.86169	0.6
62.16872	0.6
69.03294	0.7
69.21384	1.3
69.21791	5.0
71.01264	1.3
82.77730	0.6
84.63284	0.6
89.02326	0.7
93.03342	4.5
94.87638	0.6
95.01237	1.2
97.02801	0.6
101.02325	1.4
108.02023	0.8
109.02856	3.2
119.04853	0.8
121.01984	0.8
121.02842	12.8
122.03632	13.2
123.04427	1.4
124.01540	1.1
132.02072	1.7
133.02856	3.7
134.03618	1.8
135.04428	5.5
136.01578	1.8
137.02327	1.5
139.03885	0.6
145.50629	0.6
146.03703	1.0
147.04425	4.0
149.02347	33.5
149.05984	5.9
150.03128	100.0
150.33907	0.7
151.03453	3.7
161.02324	0.7
161.06070	0.9
163.03897	6.1
164.04727	8.9
165.01830	2.0
165.05479	96.7
166.05789	5.0
174.03119	1.1
175.03915	7.2
176.04686	1.5
177.01784	0.6
177.05453	3.3
179.03369	1.3
179.07053	2.8
180.04190	13.5
181.04802	1.2
188.04718	2.2
189.05450	3.3
190.06270	10.6
191.05515	1.4
191.07045	8.2
192.04207	0.6
192.07384	0.9
193.05013	5.4
194.05762	7.3
195.06552	51.2
196.06892	2.6
203.07112	1.0
205.08638	11.3
206.08928	0.9
207.06561	4.8
208.07338	9.4
209.07777	0.8
209.11765	1.1
222.09023	1.8
223.09673	1.2
298.11938	1.0
311.09274	0.9
326.11758	0.7
343.11862	1.0
344.12653	2.4
345.13364	4.8
352.39899	0.8
353.13824	1.0
356.12564	1.7
357.13461	2.9
358.13910	2.9
359.15002	55.9
360.15378	5.1
373.11407	0.9
375.14276	1.0
387.14255	1.1
388.15369	1.5
389.16037	7.1
390.16092	0.9
393.01859	0.7
461.15884	0.9
477.19724	0.9
506.02795	0.8
507.20346	6.0
522.18542	1.6
537.21259	82.9
538.21576	13.6
567.22406	1.7
585.23395	58.0
586.23743	12.5
747.29919	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	747.287
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46565	0.8
59.01270	2.0
61.48243	0.8
61.98717	0.8
63.61314	0.6
67.01787	1.5
68.99720	0.9
69.22704	6.1
69.23109	1.3
71.01273	2.0
72.99207	2.7
81.03357	0.6
85.02824	4.3
87.00764	2.3
93.03342	10.6
95.01239	0.9
95.04921	2.6
97.02863	1.2
101.02341	2.5
103.23338	0.7
109.02832	4.2
111.00814	0.8
111.04387	1.3
121.02843	12.3
122.03625	15.3
122.04446	1.1
123.04378	2.6
124.01543	0.7
127.03887	3.1
132.02068	1.0
133.02858	3.8
134.03578	1.3
135.04422	5.1
136.01590	1.9
137.02345	12.7
139.00291	1.7
139.03911	1.7
145.02844	1.7
146.03673	1.1
147.04416	2.6
149.02341	33.8
149.06009	2.6
150.03130	100.0
151.03587	4.4
153.01857	0.8
153.05559	0.8
155.10713	1.5
160.05212	1.5
161.02306	1.5
161.05948	1.0
162.03099	1.2
163.03935	3.8
164.04706	7.8
165.05478	97.4
166.02568	1.1
166.05859	5.7
167.03439	4.6
173.04521	4.9
174.03175	1.3
175.03908	6.5
175.07526	1.2
176.04720	1.5
177.05460	2.9
179.03413	3.1
179.07060	2.3
180.04227	8.9
181.04802	2.0
188.04742	1.7
189.05527	3.5
190.06279	8.5
191.05533	45.8
191.07051	5.0
192.05894	2.7
193.01413	4.3
193.05032	4.4
194.05693	3.3
195.06552	63.2
196.06894	3.4
199.09627	1.0
201.71892	0.7
205.08653	9.1
207.06599	3.4
207.70291	0.8
208.07346	6.8
209.08098	1.1
222.08968	1.1
247.04541	4.4
270.08820	1.0
271.09912	0.7
327.12146	1.8
328.12842	2.1
329.10248	1.8
341.10184	2.3
341.95135	0.8
342.10907	0.9
343.15195	1.0
344.12631	4.0
344.65582	0.8
345.13324	3.6
353.08630	1.0
353.13477	0.8
356.12433	1.6
357.13528	3.5
358.13885	1.3
359.14969	45.1
360.15323	4.5
371.14948	5.7
374.13498	1.2
375.14246	0.9
387.14270	0.8
389.16055	4.1
481.16473	2.0
481.73294	0.9
507.20532	4.6
508.20993	1.0
522.18195	1.1
537.21259	63.9
538.21497	11.3
555.21716	3.1
567.22034	1.1
585.23395	48.1
586.23755	10.2
747.23016	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	747.287
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35616	0.4
59.01256	0.9
67.01750	0.5
69.40459	0.4
71.01255	1.4
71.06453	0.5
85.02834	0.6
87.08781	0.4
87.81291	0.4
93.03331	3.5
95.04892	0.7
101.02316	1.2
104.88123	0.4
108.02074	0.6
109.02847	1.1
111.84222	0.5
113.02383	0.5
115.00543	0.5
121.02855	4.9
122.03635	14.1
123.04378	0.7
126.78280	0.5
133.02841	1.5
134.03648	0.7
135.04468	0.8
136.01540	1.6
137.02382	0.8
142.70090	0.4
145.02875	0.8
147.04446	0.5
149.02342	17.7
150.03125	95.9
151.03424	3.9
161.02202	0.4
162.02998	0.5
163.03926	1.4
164.04706	4.2
165.05479	100.0
166.05800	5.0
175.03903	3.6
176.04579	0.8
177.05455	0.8
179.03452	0.9
179.07175	0.7
180.04202	8.3
181.04643	0.8
188.04718	1.0
189.05498	2.0
190.06265	5.4
191.05766	3.4
191.07010	4.0
192.05788	0.5
193.05014	3.4
194.05737	1.6
195.06551	88.4
196.06870	3.9
203.07047	0.6
205.08656	4.6
206.54710	0.5
207.06482	1.9
208.07321	3.8
225.09280	0.9
238.08377	0.5
280.05563	0.5
287.09116	0.5
344.12567	1.4
345.13342	0.7
357.13065	0.5
359.07718	0.8
359.14969	33.3
360.15210	3.3
389.15857	3.6
420.87393	0.6
537.21112	8.7
538.21417	1.8
555.22339	0.5
585.23395	28.1
586.23639	6.0
713.54041	0.7
747.27002	0.9
747.68439	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.288
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22675	0.8
54.51822	0.8
55.01748	1.1
57.03300	1.5
58.00464	5.9
59.01250	100.0
59.07182	0.9
60.01579	1.8
60.99148	1.1
61.98704	9.5
67.01746	1.2
68.99680	2.5
69.03326	2.2
71.01253	74.5
72.01576	2.0
72.99177	8.1
73.02819	2.0
74.02333	0.8
83.01261	2.0
85.02824	15.2
87.00735	5.8
89.02314	85.6
90.02637	1.5
93.03326	8.1
95.01277	4.8
95.04898	0.9
96.95855	1.1
97.02814	3.0
98.20578	2.5
99.00764	1.3
101.02319	46.1
102.02623	1.9
109.02879	1.0
111.04500	0.9
113.02328	29.6
114.02637	1.6
119.03386	38.6
121.02847	7.2
122.03606	7.4
123.00813	1.3
123.04405	1.9
125.02302	1.3
125.96211	0.8
127.03934	2.1
129.01846	0.8
129.07043	1.0
130.37154	1.1
131.03421	4.5
133.02818	1.8
134.03682	0.8
135.04387	1.8
136.01546	2.1
137.02310	2.0
143.03409	7.8
146.03644	1.0
149.01245	1.3
149.02353	20.7
149.04411	3.3
149.05933	0.7
149.69911	0.8
150.03123	53.7
151.03593	4.0
153.05466	0.8
155.03427	0.9
155.10687	1.6
160.01532	1.4
161.02328	1.2
161.04521	5.8
161.05617	1.0
162.03127	6.4
163.03798	1.1
164.04733	4.8
165.01767	1.3
165.05482	51.2
166.02580	1.3
166.05937	4.0
167.22784	0.8
173.04509	1.1
175.03906	1.7
175.07573	0.9
176.91023	1.0
177.01772	2.7
177.05516	5.5
179.03369	1.8
179.05548	16.7
179.07016	1.6
180.04114	3.6
181.04912	1.4
191.05544	17.8
191.07135	1.8
192.05850	1.0
193.04922	1.3
195.06560	39.8
196.06927	3.3
205.08557	1.5
205.78647	0.9
223.09665	1.0
227.09099	0.9
230.77713	1.2
241.05029	1.2
257.11853	1.3
267.06577	1.3
270.08951	1.9
283.10635	1.1
285.04221	1.0
285.11288	2.8
291.14511	1.3
295.06024	2.3
298.08395	3.2
301.10611	1.2
310.08505	2.1
311.09378	1.1
313.10767	1.6
325.10883	3.2
326.07892	1.4
326.11469	1.7
329.10059	1.7
340.13126	0.9
341.10211	13.6
342.10651	1.9
344.12534	2.1
345.13235	1.4
356.12738	5.7
357.13214	2.4
359.15158	5.4
371.10446	1.7
371.14954	27.1
372.15286	3.2
373.11380	1.1
385.23059	0.9
389.15820	2.8
429.14548	1.2
473.12976	1.5
497.34415	0.9
507.19827	4.3
515.16626	0.9
519.20197	10.6
520.20410	1.9
537.21210	10.1
538.21344	1.2
567.22717	1.1
585.23383	7.6
586.23199	1.0
616.27936	1.0
699.26477	1.0
747.28815	5.7
748.28687	2.1
760.86591	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	0.6
57.03322	0.6
58.00472	0.6
59.01250	14.4
61.98703	1.9
67.01790	0.5
68.99703	0.7
69.03321	3.3
69.49576	3.2
71.01254	10.7
72.99192	0.9
73.02808	1.1
75.92103	0.4
77.09192	0.4
78.93970	0.4
81.03320	0.8
85.02828	3.0
87.00769	1.4
89.02318	10.5
93.03335	5.4
95.01263	1.1
95.04929	0.5
99.00723	0.5
101.02322	6.9
108.02062	0.9
112.89059	0.5
113.02348	3.0
119.03403	3.2
119.04867	0.5
121.02845	12.4
122.03635	13.2
123.04435	1.3
125.02332	1.6
131.04810	0.6
132.02013	0.9
133.02852	3.2
133.06461	3.8
134.03632	34.4
135.04477	2.9
136.01559	2.3
137.02344	4.5
139.03847	1.3
141.01842	0.7
143.03397	0.9
143.73294	0.5
147.04393	0.9
149.02347	26.4
149.05972	9.0
149.53622	0.4
150.03130	100.0
151.00230	0.6
151.03465	5.0
151.07547	2.1
152.03561	0.8
159.04390	0.6
161.02394	0.5
161.04480	0.9
161.05960	0.6
162.03110	0.8
164.04698	5.0
165.05481	95.2
166.02599	0.5
166.05794	7.1
173.04507	0.8
175.03847	0.6
177.05496	3.7
178.02631	15.4
179.03239	1.5
179.05498	2.0
179.06972	0.5
180.04207	7.2
181.04857	1.6
190.06322	0.5
191.05533	6.0
193.04988	64.3
194.05321	3.6
195.06555	59.9
196.06859	5.4
197.07182	0.6
205.06561	0.5
221.06105	0.6
233.05899	0.7
234.06822	0.6
235.07568	0.7
239.07083	2.1
250.06313	2.0
251.06906	0.6
253.08524	0.9
254.09436	0.9
255.06563	1.2
267.06531	1.2
271.09586	0.6
282.08929	7.8
283.09229	0.8
291.14514	1.0
297.07452	0.6
298.08093	0.5
299.09161	0.9
301.10687	0.8
311.09015	0.9
312.09879	1.0
313.10727	0.8
320.60950	0.5
325.10611	0.8
326.07816	0.8
341.10269	38.4
342.10645	4.2
343.11838	1.2
344.12479	1.6
345.13342	1.1
356.12552	0.8
357.12241	2.9
359.14752	3.0
360.15155	0.6
371.10968	0.8
371.15094	1.3
385.12766	0.6
387.14587	1.0
388.14838	0.7
389.12213	11.4
390.12460	1.7
473.12622	1.0
491.15311	0.9
503.15170	1.9
504.17062	0.7
506.17752	2.8
507.19043	1.0
518.17743	1.2
519.19507	1.1
521.20264	26.6
522.20721	4.1
533.20233	28.0
534.20581	4.0
536.20190	0.8
537.20386	2.2
551.21649	2.5
585.21985	1.1
587.20282	0.7
669.25342	0.7
681.25586	7.2
682.25635	1.4
699.26611	10.1
700.26404	1.6
719.86877	0.6
747.28418	12.0
748.28125	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	747.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59267	0.2
57.03325	0.3
57.96722	0.2
58.00465	0.7
59.01250	14.4
69.03336	0.4
69.72247	0.9
69.72655	0.6
70.98229	0.2
71.01254	8.7
71.28142	0.2
72.99174	0.5
73.02817	0.5
83.01234	0.5
83.04887	0.5
85.02826	1.6
87.00745	4.9
89.01759	0.4
89.02310	7.2
91.05406	0.6
93.03330	1.6
95.01268	0.7
97.02853	0.3
98.19891	0.4
101.02319	3.5
106.04158	0.3
107.04903	0.7
109.06474	13.9
110.06798	0.5
113.02309	2.7
113.03054	0.2
117.06981	1.0
117.22522	0.2
119.03374	2.0
121.02841	0.2
131.03445	0.3
133.06516	0.3
134.03639	0.3
135.08051	52.3
136.08388	2.6
150.03113	0.7
153.09114	34.2
154.09470	1.8
160.01537	0.4
161.04463	0.5
165.05479	0.9
175.03922	0.3
179.05544	0.5
179.07082	2.0
191.05577	0.5
193.05032	0.3
197.08127	70.1
198.08449	4.0
203.26811	0.2
235.87994	0.3
244.04498	0.2
329.13898	0.3
337.09320	0.5
359.13452	100.0
360.13794	10.1
360.18292	0.5
541.08740	0.2
551.17633	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00451	1.9
59.01250	27.2
69.03327	23.8
70.33146	1.2
71.01254	19.5
71.49318	1.9
85.02803	2.6
89.02323	19.6
93.03319	6.8
95.01254	2.1
96.95911	1.4
97.02832	33.9
98.03172	1.5
101.02328	11.8
105.03322	2.7
113.02338	7.0
119.03363	8.2
121.02851	3.0
121.06470	1.4
123.04387	7.1
131.03339	1.3
143.03455	1.3
149.06003	11.2
161.04504	1.3
162.31920	1.3
167.07083	1.7
179.05515	2.9
191.05511	1.8
193.04999	20.4
194.05328	1.4
206.56752	1.1
239.36436	1.4
298.12381	1.3
373.11377	100.0
374.11740	11.7
385.89005	1.2
386.19220	1.2
386.25583	1.2
482.07495	1.1
600.94659	1.2
753.30145	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23845	1.3
59.01250	100.0
61.98705	2.5
68.02833	1.2
71.50496	1.4
78.95765	3.8
86.54149	1.2
88.37567	1.1
96.96832	1.3
102.08644	1.2
110.45682	1.4
112.48492	1.4
142.11276	1.3
152.99455	3.5
191.05472	1.6
215.44788	1.3
234.27921	1.4
242.06488	1.3
247.20573	1.4
255.23160	4.3
300.59595	1.4
455.17245	2.8
473.18271	5.2
496.13873	1.9
510.15387	2.0
512.13379	7.6
513.13544	2.7
526.14618	11.0
527.15454	3.9
569.16455	1.8
601.19183	3.2
613.19269	2.4
614.20166	66.1
615.20569	18.4
646.19128	10.4
647.19171	2.0
687.23169	5.4
747.25165	47.8
747.36383	2.5
748.25342	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	745.272
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03360	0.9
59.01247	12.8
61.98694	0.9
68.99693	2.1
69.03325	2.5
71.01254	9.5
72.99172	0.9
83.01247	0.7
85.02829	2.2
89.02318	10.2
93.03327	5.5
95.01276	1.3
95.04890	0.9
97.02837	2.0
101.02319	9.0
107.04892	0.8
108.02013	0.7
109.02835	1.8
113.02346	4.3
119.03381	4.0
121.02832	9.8
121.06506	0.7
122.03629	15.4
123.00823	1.6
123.04439	1.7
124.01569	1.8
131.03358	0.8
132.02074	1.3
133.02834	2.6
134.03656	1.3
135.04446	5.8
136.01561	18.0
137.02364	5.6
147.04419	1.2
149.02348	28.5
149.05977	2.0
150.03127	92.9
151.00339	3.6
151.03932	20.6
152.01010	1.2
153.01744	0.8
154.02623	0.9
155.03397	1.8
157.04958	1.1
160.05167	0.8
161.04465	1.3
161.05992	1.3
162.03110	1.3
163.03922	2.5
164.04709	7.0
165.01796	2.1
165.05479	100.0
166.02618	11.4
166.05811	5.4
167.03333	2.7
172.05244	1.3
174.03156	0.9
175.03914	4.4
176.04611	1.1
177.01823	1.4
177.05470	2.8
179.03468	1.0
179.05504	3.3
179.06908	1.1
180.04205	6.5
181.04973	16.2
187.07396	0.9
189.05402	3.9
190.06294	6.0
191.03610	1.2
191.05490	4.5
193.05023	1.7
195.06552	75.7
196.06926	4.0
205.08682	1.0
221.08066	1.3
225.07707	1.1
227.09271	0.8
282.05368	2.0
294.04868	0.8
297.07480	1.1
299.22641	0.7
306.08743	0.7
309.07758	1.4
315.08734	1.0
319.68661	0.6
324.09799	0.9
325.10959	0.7
326.11691	0.8
329.10272	2.1
339.08435	1.5
342.11057	1.6
355.11438	1.2
356.12430	2.2
357.09619	3.3
357.13351	9.7
358.13715	1.1
369.13449	4.4
372.12140	3.8
373.11948	3.2
386.13666	1.8
387.14484	47.1
388.14771	5.2
389.14716	0.9
407.73920	0.7
490.16071	1.0
502.31519	0.8
505.18341	2.8
513.15527	2.3
517.18420	1.2
535.19690	54.3
536.20013	9.5
553.20520	2.3
565.20557	2.5
583.21753	40.6
584.22015	6.7
745.25525	3.0
746.26300	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	93.4
69.03328	91.7
69.61919	23.0
71.01258	63.7
85.02835	5.8
89.02321	71.7
93.02819	4.1
93.03319	22.9
97.02838	100.0
101.02330	34.7
105.03340	6.5
110.62731	4.7
113.02357	24.3
119.03386	21.7
123.04413	18.9
141.01840	5.8
146.08893	3.6
149.05980	38.5
153.71353	4.1
179.05476	5.3
193.04985	46.6
199.21315	4.4
285.96448	4.7
373.11398	69.2
374.11926	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	745.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05825	0.7
57.03333	1.3
57.30600	0.8
58.00472	5.1
59.01248	100.0
60.01578	1.7
61.98691	1.7
68.99675	2.3
69.03327	1.9
71.01253	65.3
72.01600	1.2
72.99184	5.6
73.02802	3.3
83.01251	2.7
85.02827	12.0
87.00761	4.8
89.02316	77.7
93.03352	3.9
95.01267	6.6
97.02850	1.3
98.20584	1.8
98.91299	0.7
101.02322	32.4
101.66702	0.7
102.02709	0.9
108.79498	0.7
113.02336	24.7
114.02697	0.9
119.03396	27.9
120.03735	1.4
121.02827	2.5
122.03614	1.1
123.04402	5.2
124.04777	1.0
125.02338	1.5
131.03346	2.5
135.04341	1.7
136.01555	2.1
137.02385	2.0
143.03389	4.3
145.02786	0.8
149.02365	5.1
149.04434	3.0
150.03140	12.0
151.03850	1.9
155.03421	4.6
156.03828	1.0
161.02347	1.9
161.04483	5.8
162.03116	3.9
163.03842	0.9
164.04623	1.4
165.05504	10.5
166.02608	3.1
166.06113	1.1
167.03241	0.9
173.04434	2.1
177.01773	1.2
177.05458	2.8
179.05547	21.9
179.06961	0.8
180.04169	2.4
180.05896	2.3
181.04962	3.5
181.08554	1.3
187.07724	1.2
190.06276	1.1
191.05511	10.7
192.05801	1.2
193.04988	1.2
195.06584	8.9
196.91531	0.8
209.11726	1.4
211.06027	0.9
229.72371	1.3
260.61606	0.8
287.01224	0.9
342.11404	1.0
357.09778	1.9
372.12164	1.0
387.14478	8.9
509.21979	1.6
512.14746	1.2
513.15002	2.7
513.96954	0.9
531.18408	0.9
535.19769	6.7
536.19757	0.9
551.19220	0.9
745.25525	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	745.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	0.8
58.00461	5.9
59.01252	84.6
61.98708	1.3
62.87379	0.8
67.01759	1.1
68.61979	0.9
68.99673	2.0
69.03326	2.5
69.85043	3.3
69.85456	2.0
71.01255	68.1
72.01563	1.2
72.99184	6.5
73.02861	0.9
83.01270	2.1
85.02828	9.6
87.00761	6.0
89.02316	75.8
90.02648	1.4
93.03356	4.7
95.01257	5.7
97.02790	1.5
101.02321	35.0
102.02696	1.3
108.02039	2.5
109.02846	1.9
113.02339	25.5
117.03376	1.0
119.03394	29.7
121.02831	7.0
122.03644	12.2
123.00763	1.2
123.04406	3.1
125.02327	0.9
131.03363	3.9
133.02834	2.9
134.03629	1.0
135.04398	2.6
136.01563	19.4
137.02307	4.0
138.00847	1.0
139.03865	1.1
143.03423	6.0
145.02866	8.3
146.03610	1.9
147.04390	1.8
149.02345	17.1
149.04405	2.7
150.03128	80.7
151.00288	6.2
151.03926	21.9
155.03442	1.9
160.05214	1.1
161.02361	8.2
161.04456	5.3
161.05858	1.6
162.03145	31.9
163.03638	1.9
164.04663	3.9
165.05489	100.0
166.02623	17.3
166.05759	5.1
167.03339	1.0
173.04445	1.0
174.01607	1.3
174.02977	0.9
175.03871	2.1
176.04660	2.0
177.01863	2.4
177.05475	19.5
179.03474	6.4
179.05530	15.9
180.04126	8.2
180.05832	2.1
181.04990	17.6
182.05374	0.9
189.05495	1.3
191.03831	1.4
191.05507	9.6
192.04182	1.1
194.05675	3.5
195.06561	89.0
196.06963	5.2
209.08127	7.8
210.08521	4.0
211.08652	1.4
211.94058	0.9
228.08597	1.0
243.11279	1.5
244.06018	2.2
244.11607	1.9
245.06465	2.9
246.06702	1.3
253.05949	1.2
254.06731	1.1
255.07430	1.6
269.09366	6.7
270.09625	4.0
271.09891	2.4
310.09418	1.4
311.09924	2.7
312.10306	1.7
313.07962	1.5
314.08344	1.2
315.08734	1.2
325.10358	1.0
329.10175	1.5
341.10147	1.2
342.10962	2.1
354.11758	1.3
357.09756	2.5
357.13669	7.4
372.12088	3.6
373.12219	1.2
387.14508	34.3
388.14856	3.7
392.13126	1.0
443.16672	0.9
445.16809	2.1
510.89612	1.0
513.15179	1.1
535.19812	6.0
536.19690	1.2
547.19794	7.8
553.20880	0.9
583.21747	15.6
584.22009	3.3
625.23328	1.4
669.22150	3.3
713.21716	1.4
745.23798	8.4
746.23755	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	745.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10474	0.6
52.51239	0.5
59.01244	6.3
60.83975	0.5
69.03334	0.6
71.01247	3.8
73.02863	0.6
85.02799	1.4
89.02316	2.5
93.03342	5.8
93.45274	0.5
95.01260	1.1
95.04912	0.6
101.02318	2.7
108.02003	1.2
113.02375	1.4
119.03401	1.5
121.02845	12.2
122.03630	17.6
123.00797	1.4
123.04435	0.9
124.01516	1.2
130.36967	0.6
133.02843	2.2
134.03613	1.5
135.04425	9.5
136.01564	14.2
137.02402	3.1
145.02815	0.8
146.03687	0.8
147.04430	1.7
149.02350	30.0
149.05934	1.4
150.03125	100.0
151.00273	3.6
151.03928	17.6
152.01028	1.1
152.04321	0.7
153.05484	0.7
154.02626	1.2
159.04398	1.1
160.05208	1.4
161.04492	0.9
161.05963	1.6
162.03142	1.7
163.03954	3.0
164.04703	7.2
165.05481	90.1
166.02629	10.8
166.05751	3.1
167.03343	1.8
168.44994	0.6
172.05196	1.7
173.05942	0.7
174.03137	0.9
175.03931	4.6
177.01840	1.3
177.05460	2.2
179.03581	0.8
179.05496	1.5
179.06953	1.1
180.04248	5.6
181.04980	16.0
189.05547	3.3
190.06299	6.4
191.03522	0.7
191.05444	1.0
195.06551	61.2
195.91101	0.6
196.06847	3.3
205.08669	1.0
207.06590	0.6
221.08109	1.1
223.63222	0.6
249.86166	0.7
256.68207	0.6
266.05829	0.9
282.05228	1.1
285.07700	0.8
297.07736	1.0
309.07941	0.9
314.07837	0.8
315.08798	1.3
323.09286	0.8
325.10870	1.0
327.08746	0.9
329.10272	2.6
335.25720	0.8
339.08752	1.6
339.12506	1.1
340.13199	0.8
342.11011	2.3
355.11804	1.2
356.12625	1.8
357.09671	2.4
357.13370	8.7
358.13992	1.3
369.13400	4.1
372.11972	2.9
373.12759	2.0
386.13541	1.4
387.14493	40.1
388.14734	4.0
505.18689	3.0
517.18665	0.8
535.19696	58.4
536.20026	10.6
553.20551	1.5
565.20593	1.5
583.21814	32.4
584.22119	7.2
697.25256	0.9
706.57660	0.7
745.26685	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	745.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	16.4
61.98709	1.0
67.01752	0.7
68.99680	0.8
69.18441	5.1
71.01250	14.9
72.01615	0.6
72.16210	0.5
72.99193	1.1
73.02821	1.2
83.01270	0.9
85.02812	3.0
87.00757	1.1
89.02316	12.3
93.03334	6.8
95.01269	1.8
95.04915	1.1
98.19730	1.0
101.02327	6.7
105.03340	0.5
108.02048	1.0
109.02834	0.8
113.02322	5.3
119.03384	5.0
121.02839	12.0
122.03628	17.3
122.16393	0.5
123.00808	1.5
123.04446	1.1
124.01574	1.6
125.02352	0.6
128.11646	0.6
131.03447	0.5
132.02075	0.8
133.02847	1.8
134.03629	1.0
135.04420	5.7
136.01553	9.3
137.02364	2.7
138.03160	0.8
139.03879	1.0
143.03389	1.5
146.03644	0.6
147.04430	1.2
148.01698	0.6
149.02345	28.9
149.05960	0.7
150.03128	100.0
151.00281	2.3
151.03925	11.0
152.00995	1.1
152.04411	0.7
153.01848	0.5
153.05469	1.4
159.04329	0.5
160.05145	0.7
161.02356	0.8
161.04460	1.9
162.03137	1.5
163.03914	1.8
164.04709	5.9
164.26990	0.5
165.05479	95.7
166.02615	7.7
166.05827	4.5
167.03374	1.8
172.05150	0.9
175.03908	3.7
177.05481	2.2
179.03435	0.8
179.05501	5.0
179.07002	1.0
180.04201	7.0
181.04951	10.2
182.05229	0.5
186.99126	0.5
189.05551	2.5
190.06285	4.8
191.03816	0.7
191.05463	4.1
193.04948	0.7
195.06549	59.9
196.06915	3.3
203.06966	1.0
205.08588	0.9
221.08055	0.7
244.06149	0.8
245.06558	0.6
266.05746	1.0
279.06580	0.6
282.05316	1.5
283.09692	0.9
293.08109	0.7
299.05533	0.6
309.07581	1.2
314.08218	0.6
315.08752	1.4
323.09229	1.3
324.09998	2.0
325.10638	1.4
326.11609	1.2
327.08768	1.3
329.10242	2.1
339.08914	2.7
339.12000	2.7
341.13776	0.6
342.10980	1.9
354.10971	1.1
355.11911	0.7
356.12500	1.1
357.09879	1.4
357.13516	12.2
358.13837	1.0
369.13428	10.5
370.13718	1.1
372.12155	1.5
373.12714	0.9
386.13614	1.1
387.14514	27.0
388.14813	2.9
449.15958	0.8
490.16034	0.8
505.18521	3.6
506.18909	0.7
517.18689	2.4
519.18829	0.8
520.17316	0.7
531.18671	1.1
535.19720	44.5
536.20105	7.9
553.20807	1.2
565.20459	2.1
583.21802	21.6
584.22095	4.4
697.24884	7.2
698.25330	1.5
727.25854	0.6
745.25897	5.8
746.26410	2.0
753.15631	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.3701
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	0.7
60.99178	16.4
61.48518	0.2
61.98705	2.6
71.01244	1.1
71.21643	0.6
72.99178	0.6
77.08561	0.3
78.95780	1.6
80.96391	0.3
87.00749	1.7
88.00281	3.7
88.98676	100.0
89.02315	16.7
89.06534	0.3
89.94054	0.3
89.99001	1.2
90.02659	0.3
93.03324	0.4
113.55693	0.3
133.14931	0.3
138.48595	0.3
152.99483	0.9
191.05533	2.8
224.09937	0.3
255.23293	1.1
265.51404	0.3
277.21741	0.8
397.13574	1.3
415.14902	0.4
506.26785	0.3
507.26834	0.5
723.45087	0.4
748.13464	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01739	1.5
57.03312	1.4
58.00457	2.6
59.01249	71.5
60.01607	0.9
67.01773	3.2
68.99686	32.2
69.02962	0.8
69.03323	14.4
69.41061	5.0
70.00003	0.6
71.01251	42.2
72.01559	0.7
72.99174	3.6
73.02823	1.1
83.01248	2.0
85.02827	6.5
87.00732	2.2
89.02315	39.3
92.08238	0.6
93.03336	3.2
95.01259	3.9
95.04897	1.6
97.02827	4.0
99.00741	2.7
100.91653	0.7
101.02320	59.6
102.02661	1.2
107.04903	1.0
111.00726	1.4
113.02335	13.6
119.03383	18.6
119.04794	2.9
121.02832	4.9
123.04404	10.4
127.03912	4.9
130.04112	0.7
131.03410	1.4
131.04898	1.3
135.04413	1.0
143.03357	3.1
145.06493	0.7
147.04404	8.8
149.02365	3.3
149.04575	0.9
149.05960	2.6
151.03928	0.7
153.05476	2.0
157.06514	0.9
159.04369	1.1
161.04535	2.8
161.05838	0.7
163.03889	1.0
171.04431	1.1
173.05959	1.8
175.03923	11.8
175.07535	4.3
179.05533	7.4
181.05000	6.5
181.06418	1.2
191.05505	1.0
195.06578	1.0
197.06032	0.6
199.07509	2.0
201.05344	0.8
203.01593	1.0
203.03439	15.7
203.06885	0.8
204.03661	0.6
209.05930	0.8
211.04037	0.8
211.07680	1.0
219.06535	1.3
226.54680	0.7
227.07062	2.8
229.08424	0.7
235.06050	3.7
241.08563	0.6
247.02368	2.3
255.06522	0.8
255.10262	3.8
265.75226	0.6
269.08304	0.9
287.09265	4.6
339.12393	2.9
357.13312	1.3
383.11499	1.4
399.12997	1.2
435.16550	2.7
467.15579	8.6
479.15656	12.2
480.15805	2.4
505.16937	0.7
511.14581	20.2
512.14990	2.1
519.18793	4.1
520.19391	0.7
537.19415	1.4
563.17889	7.4
564.18024	0.9
581.18958	1.4
699.24915	1.6
743.23981	100.0
744.24359	19.7
744.37720	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	743.241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	1.5
55.80368	0.4
57.03317	2.0
58.00469	5.8
59.01253	100.0
60.01582	1.3
60.99174	0.5
61.98687	0.4
65.03830	0.6
67.01763	3.8
68.99691	57.4
69.03328	35.1
70.00033	0.8
70.03678	0.6
71.01255	86.2
72.01581	1.3
72.99186	7.6
73.02828	3.0
75.00750	1.1
79.01774	0.6
81.03336	1.6
83.01260	3.6
83.04916	0.5
84.14102	0.4
85.02393	0.3
85.02824	15.0
87.00750	8.8
89.02321	87.4
90.02653	1.4
92.54531	0.4
93.03333	9.6
95.01266	35.6
95.04914	5.2
96.01594	1.1
96.95886	0.5
97.02836	11.1
98.19666	0.6
99.00745	1.2
99.04378	0.5
101.02326	89.1
102.02647	1.8
103.05412	1.3
105.03357	1.3
106.04116	1.1
107.03384	0.7
107.04914	1.8
108.02057	4.5
109.02854	1.1
111.00764	2.2
111.04396	1.3
113.02334	31.9
114.02623	0.4
119.03394	32.9
119.04774	4.4
120.03737	0.7
121.02849	29.2
121.06496	5.8
123.00803	4.6
123.04414	94.8
124.04754	3.5
125.02357	1.5
127.03877	0.9
129.01869	0.4
130.04109	0.8
131.03409	4.5
131.04900	3.1
133.06435	0.5
134.03607	1.5
135.04462	2.5
137.02342	2.2
137.06003	2.1
139.00330	0.6
139.03902	1.0
141.01857	1.5
143.03403	9.2
145.02859	0.8
146.03661	0.6
147.04419	4.8
148.13773	0.4
149.02356	23.4
149.04466	2.6
149.05977	17.6
149.07198	0.7
150.02892	1.5
150.06335	0.7
151.03928	2.1
153.01849	1.5
153.05444	0.5
155.03412	66.2
155.10622	0.4
156.03708	2.6
161.02396	0.6
161.04474	12.7
161.05861	0.7
162.04727	0.5
163.03925	1.9
163.07448	0.9
165.01852	1.3
165.05505	8.0
167.03419	1.2
167.07071	2.5
173.04478	1.6
175.03931	7.5
177.05504	1.3
179.05537	60.2
180.05879	1.7
181.04999	6.8
183.02916	8.4
189.05463	1.7
191.03456	1.6
191.05551	5.9
191.07104	1.0
192.05869	0.8
193.04996	34.1
194.05327	1.3
195.06604	0.8
197.08073	0.4
207.06628	3.6
213.03981	1.2
217.04918	0.8
225.07657	13.6
226.08034	0.7
235.06070	2.8
243.05061	1.3
246.04111	0.4
253.07144	9.3
254.07347	0.8
262.23947	0.5
265.07153	0.6
283.08179	0.8
285.06213	0.6
295.08350	0.6
311.07578	0.5
313.09296	0.9
353.08987	0.5
355.10330	55.3
356.10675	4.0
373.11389	17.3
374.11685	1.8
387.12918	4.3
391.35132	0.4
415.12442	19.1
416.12747	1.8
445.13556	2.2
457.13480	7.8
458.14044	0.8
475.14526	4.1
476.15079	0.5
511.14584	18.1
512.14661	2.1
517.15558	0.5
537.16058	0.8
581.19250	1.7
698.89203	0.6
711.21173	1.3
743.23877	4.9
744.25122	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01741	0.6
57.03309	1.1
58.00471	4.7
59.01253	72.7
64.98302	0.5
67.01759	3.9
68.99691	33.5
69.03334	16.0
69.23172	5.8
69.80182	0.6
71.01256	42.2
72.01586	0.6
72.99194	4.1
73.02813	1.0
83.01257	2.9
85.02838	8.1
87.00771	2.9
89.02321	36.0
93.03335	3.1
95.01268	5.1
95.04898	1.6
97.02840	4.7
99.00754	3.4
101.02329	58.9
102.02682	0.7
104.36981	0.6
105.01754	0.8
105.03306	0.7
111.00758	1.6
111.58861	0.7
113.02343	12.3
119.03401	15.8
119.04810	3.2
121.02853	5.1
123.04424	10.4
125.02305	0.8
126.12297	0.6
127.03899	6.1
130.04193	0.7
131.03397	1.2
131.04878	0.9
134.05203	0.7
135.04422	0.9
143.03383	2.4
143.04959	0.6
145.02843	1.0
145.06429	1.1
147.04436	10.9
149.02393	3.4
149.04530	1.0
149.05981	2.1
151.03918	0.7
153.05482	2.8
156.05664	0.8
157.06482	1.2
159.04372	1.1
161.02386	0.9
161.04515	1.3
161.05826	0.6
163.03914	1.8
165.01862	0.6
171.04417	1.1
173.04605	0.8
173.06004	2.2
175.03940	10.1
175.07570	3.2
179.05545	7.5
181.05006	5.5
183.08165	0.8
185.05913	1.3
190.68719	0.6
191.05536	5.3
191.07004	0.9
193.05009	0.8
195.06555	0.9
197.06038	1.3
199.03642	0.6
199.07582	2.6
201.05444	1.2
203.03452	18.1
203.06973	1.5
204.03729	1.2
207.06496	0.7
209.06090	1.1
211.07520	0.9
219.06523	1.2
225.05545	0.9
227.07053	2.1
227.10887	1.0
233.04605	0.7
235.06093	3.8
247.02457	2.1
255.06650	1.1
255.10167	3.3
259.09689	1.1
269.08218	0.6
287.09171	3.3
299.09015	0.7
339.12280	1.9
357.13251	0.7
383.11234	1.7
399.12906	1.1
435.16565	1.9
467.15652	7.6
479.15726	12.5
480.15683	1.4
483.15527	1.3
511.14542	18.3
512.14905	2.2
517.48566	0.7
519.18677	4.7
536.99017	0.7
563.17853	6.0
564.17767	1.0
581.18701	0.7
600.84747	0.7
699.25403	0.8
743.24054	100.0
744.11395	1.3
744.24365	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	743.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74078	0.8
57.03314	2.7
58.00431	1.2
58.97013	0.9
59.00963	1.6
59.01254	29.2
61.98696	3.0
66.60580	0.8
67.01758	4.1
68.99690	23.8
69.03332	50.3
71.01258	24.7
72.99184	1.6
73.02820	4.6
79.01763	1.0
81.03324	2.6
83.01235	1.2
85.02833	18.9
87.00747	2.4
89.02322	15.3
93.03348	15.1
95.01263	18.5
95.04894	1.8
96.95892	1.3
97.02837	49.6
98.03143	1.0
101.02329	58.2
102.02676	1.4
105.03333	2.2
108.02075	1.5
109.02821	4.0
111.04346	1.6
113.01640	1.6
113.02349	19.4
115.91446	0.9
119.03406	5.6
119.04897	2.5
121.02842	6.4
121.06464	2.6
121.66045	1.1
123.03552	1.5
123.04417	27.6
125.02312	1.8
127.03892	2.1
134.03619	1.3
135.04463	9.6
137.02359	11.1
141.01836	3.2
143.03415	3.1
149.02399	5.4
149.03387	1.0
149.04866	1.2
149.06000	17.1
150.02791	0.8
150.06310	1.0
151.03883	2.8
155.03421	66.1
156.03717	2.8
161.02367	2.6
161.04459	3.2
165.01904	1.6
165.05482	1.1
167.07039	2.8
169.05013	4.7
173.04469	5.9
175.03780	1.6
179.03456	7.8
179.04851	1.2
179.05460	1.0
181.04984	1.8
191.05559	23.6
193.03343	1.8
193.04999	21.2
197.04445	5.1
225.07608	3.4
225.14952	0.9
227.05531	1.7
257.06610	1.5
309.09830	1.7
309.14893	1.6
317.08734	3.1
327.16052	2.8
345.16843	1.7
353.08813	4.3
355.22473	1.2
371.14865	1.6
383.14294	1.0
387.12741	1.8
443.18939	1.9
467.15942	1.5
471.15085	8.0
472.15567	1.4
511.14728	15.1
512.14954	2.1
549.16296	6.4
563.20654	1.4
581.21796	4.2
743.24060	100.0
744.24445	23.9
762.28503	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42268	0.5
55.01764	0.6
57.03322	0.7
58.00468	3.3
59.01253	69.4
59.39885	0.6
60.01583	0.7
61.41067	0.6
61.98716	1.0
67.01762	3.5
68.99692	28.6
69.03332	16.8
69.12520	0.5
69.29289	0.5
69.69659	0.9
69.70072	2.1
71.01256	55.7
72.01583	0.6
72.99183	3.9
73.02819	2.1
75.00761	0.7
76.35500	0.5
79.01752	0.9
83.01257	2.0
85.02822	9.4
87.00754	5.7
89.02321	72.0
90.02685	1.0
93.03343	5.3
94.64620	0.5
95.01266	34.7
95.04916	2.2
96.01604	0.9
97.02827	6.0
99.00773	1.0
101.02328	62.2
102.02690	0.8
105.03351	1.1
106.04130	0.6
107.03362	1.1
107.04944	1.1
108.02000	2.7
109.02853	0.7
111.00789	1.4
111.04410	1.9
113.02337	25.8
116.26668	0.6
119.03394	28.9
119.04910	2.7
121.02847	13.6
121.06515	1.5
123.00778	2.4
123.04411	62.3
124.04751	2.6
125.02335	1.9
127.03905	0.6
131.03407	4.1
131.04926	1.6
133.02779	0.9
134.03603	0.8
135.04428	2.0
136.01570	1.7
137.02374	2.4
137.06000	0.9
139.03952	1.2
141.01859	1.3
143.03407	9.1
147.04419	3.3
149.02353	15.4
149.04303	3.1
149.05957	7.6
150.03056	1.0
151.03928	4.1
153.05428	0.8
155.03412	72.7
156.03783	2.1
159.00880	0.6
161.02403	5.0
161.04478	15.3
161.05846	0.7
162.04796	0.5
163.03990	2.8
164.04655	0.8
165.01860	4.5
165.05501	3.3
167.03436	0.8
173.04512	1.8
175.03951	4.0
176.01089	2.4
176.04692	2.6
177.01897	0.8
179.03510	6.4
179.05539	100.0
180.04349	0.8
180.05885	4.0
181.05003	4.4
183.02942	1.8
189.05511	2.5
191.03464	3.1
191.05559	7.2
191.07123	1.6
193.05000	24.8
194.05746	6.8
195.06380	0.9
197.08064	0.7
205.93457	0.6
207.06580	5.3
209.04874	1.1
209.08136	18.4
210.08501	1.3
217.05002	2.7
219.06712	0.5
225.07642	23.3
226.07945	1.1
235.06114	10.3
253.07161	0.8
265.86975	0.6
283.08194	1.1
283.13568	0.7
285.06384	1.2
313.09286	0.9
353.08960	0.6
355.10333	10.8
356.10855	1.0
359.18103	0.6
371.11371	9.3
371.15594	0.7
372.11792	1.5
373.11368	14.5
374.11859	1.2
387.12988	13.0
388.13318	1.3
415.12402	5.3
429.13934	0.8
457.13525	2.6
475.14856	0.9
511.14575	64.1
512.14850	8.2
523.91339	0.6
544.54004	0.6
581.18555	6.2
582.19482	0.9
656.38043	0.6
667.14130	0.6
743.23981	2.9
743.36542	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01740	2.0
57.03320	2.2
58.00468	5.4
59.01250	100.0
60.01571	1.5
60.43271	0.9
61.98693	1.3
67.01749	3.1
68.99683	25.7
69.03323	31.4
71.01252	65.9
71.30836	1.0
71.31174	2.1
72.99180	7.3
73.02810	4.3
78.95776	1.3
81.03315	1.3
83.01239	5.6
83.04897	2.1
85.02827	22.1
87.00735	5.2
89.02317	47.4
93.03344	8.3
95.00642	1.7
95.01260	35.0
95.04903	2.5
97.02828	42.0
101.02324	67.0
105.03322	1.1
107.04867	1.8
108.02048	3.1
109.02807	1.7
111.04402	4.2
113.02329	35.5
119.03385	15.4
119.04856	1.6
121.02830	9.5
121.06487	1.4
123.04406	61.1
124.04735	2.9
125.02318	1.8
126.00909	1.0
131.03381	1.5
133.06516	1.6
134.03609	1.4
135.04410	3.4
136.01672	1.2
137.02328	3.1
139.03925	9.8
143.03372	5.2
147.04408	2.9
149.02371	4.8
149.05977	9.9
151.03929	2.6
153.05457	1.3
155.03407	88.7
156.03740	3.0
159.04404	1.4
161.04475	9.6
161.05768	2.0
163.03833	1.2
163.07553	1.8
165.05458	4.3
167.07063	6.8
169.04974	4.0
171.78020	1.1
173.04425	1.9
175.03923	3.4
176.04614	1.7
179.03374	1.6
179.05536	5.4
179.06880	1.2
181.04990	5.4
191.05545	12.1
191.07076	2.2
192.05969	1.2
193.04976	10.7
193.08713	1.3
199.05992	1.4
207.06512	3.7
225.07677	17.9
226.08217	1.0
251.09196	5.4
269.10309	9.3
329.12405	1.7
334.24750	1.1
371.11264	1.3
373.11368	24.8
374.11545	1.2
421.34851	1.1
457.13480	3.3
475.14529	12.4
511.14520	3.2
517.15717	4.0
518.16797	1.5
537.19629	1.4
563.17578	11.6
564.17572	1.8
569.20959	1.5
587.19983	2.5
627.67767	1.1
711.21228	2.8
743.24060	76.6
744.24292	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	743.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	1.4
57.03332	2.0
58.00474	3.8
59.01252	100.0
60.01589	0.8
61.98705	0.9
65.43486	0.6
67.01771	2.5
68.99372	0.5
68.99691	36.5
69.03330	26.1
71.01255	81.1
72.01588	0.8
72.99179	6.6
73.02840	2.1
75.00741	0.8
78.95752	0.7
79.01778	0.7
81.03350	0.8
83.01256	2.8
85.02821	14.8
85.03294	1.1
87.00750	7.8
89.02320	99.0
90.02668	1.3
93.03339	8.5
94.54408	0.7
95.00642	1.5
95.01267	31.1
95.04919	3.0
96.95865	0.8
97.02840	7.3
101.02329	67.6
102.02641	0.9
103.05449	1.6
107.03374	1.3
107.04909	1.6
108.02055	2.1
109.02866	1.5
111.00782	0.9
111.04441	1.1
113.02336	31.4
114.02702	1.0
119.03395	36.2
119.04778	4.3
121.02850	21.9
121.06493	3.8
123.00812	1.7
123.04414	54.6
124.04784	1.6
125.02346	1.9
125.68079	0.6
127.03925	1.4
131.03407	4.6
131.04881	3.1
134.03641	1.2
135.04437	5.6
137.02391	2.7
137.05984	1.6
141.01892	1.3
143.03412	11.7
145.02841	0.7
147.04460	3.7
149.02353	22.4
149.04459	3.1
149.05983	16.2
150.02856	1.2
150.06299	0.7
153.01898	1.0
155.03416	57.2
156.03749	2.1
161.02351	2.0
161.04488	15.3
161.05865	1.6
163.03902	3.7
165.01865	4.6
165.05479	4.9
173.04482	1.6
173.05931	1.0
175.03926	4.5
177.05434	1.2
179.05537	92.5
180.05888	2.5
180.94427	0.7
181.04933	4.1
183.02971	2.0
189.05563	2.5
191.03476	2.9
191.05548	21.7
191.06891	0.8
193.04988	39.6
194.05244	1.5
202.06213	0.8
207.06522	3.9
209.08147	0.8
213.05516	0.9
217.05005	3.3
225.07658	16.9
227.03427	1.4
235.06093	10.8
249.07544	0.7
253.07283	1.0
267.08978	0.8
281.10263	7.1
283.13348	3.3
285.06461	0.7
301.14474	1.2
311.12726	0.8
327.15869	1.4
340.75571	0.7
345.16940	1.3
353.08713	4.3
355.10339	39.5
356.10693	3.2
367.25717	0.8
369.12018	0.9
371.15195	4.1
372.15305	0.9
373.11420	11.4
374.11755	1.4
379.28162	0.7
387.12988	9.3
388.13651	1.2
389.16119	1.9
399.74454	0.6
415.12448	2.8
457.13608	6.1
511.14600	55.0
512.14813	9.7
581.19952	1.3
711.20862	2.0
743.24219	3.5
744.25385	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30596	1.1
58.00450	2.3
59.00963	1.5
59.01250	28.3
61.98701	53.6
63.99115	4.9
68.99683	7.2
69.03326	7.4
71.01252	17.3
71.37854	2.2
83.01224	1.0
85.02826	5.8
86.95042	1.0
87.00725	2.2
89.02315	11.4
93.03334	5.5
94.08540	1.1
95.01233	3.6
97.02846	1.9
97.73399	1.2
101.02328	14.3
108.04424	2.4
111.00764	1.5
113.02360	7.3
119.03382	5.4
119.04858	1.7
121.02846	5.7
121.05252	1.6
121.06458	1.8
122.06020	8.2
123.04395	8.1
127.03974	1.3
131.03441	1.5
143.80334	1.2
147.04416	1.7
149.02339	2.9
149.05988	1.8
151.03894	1.3
153.05458	3.7
155.03432	7.2
160.03925	2.3
173.04654	3.0
175.02612	2.3
179.05579	5.4
181.04994	1.8
185.04718	7.7
186.05455	3.0
188.03455	1.8
191.05623	7.8
193.04965	3.1
197.04607	1.5
199.06456	1.5
200.07045	1.9
200.10706	3.1
210.05650	1.6
211.06142	1.7
212.07124	3.2
213.06555	1.9
214.04904	1.5
216.22063	1.1
226.07288	1.9
227.04492	1.6
227.08168	3.0
231.05168	1.7
234.09302	1.1
235.06114	1.1
238.05026	2.0
239.05817	3.0
239.08087	2.6
240.06720	6.1
241.06177	1.5
241.09779	10.1
243.07654	1.3
243.11353	32.9
244.06131	68.0
244.11552	3.7
245.06418	5.9
253.06114	9.4
253.09860	1.4
254.06941	5.7
255.07713	14.5
256.06046	14.7
256.08264	1.7
257.06506	1.2
265.06107	2.0
267.05170	3.6
267.07971	2.3
267.11157	1.9
268.05951	3.0
269.09302	74.4
270.09860	7.0
271.10797	1.2
277.06104	1.2
279.07782	3.4
281.05994	2.6
281.09274	2.5
283.10590	1.6
287.10361	4.4
289.10077	1.4
293.05646	3.6
293.09390	3.4
294.06366	1.6
295.07205	5.1
295.10831	3.3
298.07104	2.0
299.08008	2.3
300.08716	3.2
306.06268	1.3
307.07135	4.7
308.08078	3.7
309.08661	5.1
310.09500	4.4
311.10333	10.8
313.08282	30.3
314.08829	3.1
317.09418	1.5
319.07266	2.1
320.08121	2.4
321.08746	8.3
322.09357	3.0
333.08856	3.6
335.10153	3.5
337.08304	2.4
337.11905	1.6
347.10226	3.0
355.09970	5.3
363.09818	4.7
363.13824	1.6
373.11816	3.0
387.12079	5.2
391.12988	9.9
392.13419	1.3
415.12473	2.2
435.11935	5.7
443.16083	3.7
467.14661	3.2
487.15424	6.3
487.21436	1.3
511.14346	4.7
531.17029	1.3
532.17706	1.3
574.14972	1.5
579.16998	2.2
581.72034	1.1
623.22821	5.8
667.21509	18.3
668.21179	1.9
699.23688	3.4
711.20337	8.7
712.21045	3.1
743.23090	100.0
744.23376	24.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66985	0.3
59.01262	0.6
64.32346	0.3
70.24406	1.3
71.01254	1.4
72.12942	0.3
73.02832	0.3
85.02823	1.1
93.03326	0.8
98.19930	0.4
101.02304	0.7
109.02809	1.0
111.00823	0.4
113.02357	0.4
123.00773	1.0
125.02335	0.7
131.54227	0.3
135.04402	0.9
137.02344	5.1
138.02631	0.3
139.03880	0.3
141.04698	0.3
149.02353	0.7
150.03160	0.3
151.00266	8.6
151.03908	0.5
152.00957	0.6
152.04718	1.8
153.01791	0.4
154.02603	0.4
155.03416	0.3
159.04324	0.4
161.02367	0.5
161.04472	0.6
164.04683	0.3
166.02621	36.8
167.03232	2.4
173.04430	0.7
175.03928	0.4
175.07515	0.4
177.01826	1.5
177.05470	0.4
179.03403	1.2
179.07092	0.4
180.03984	0.3
181.04979	69.3
182.05348	2.8
184.03731	0.8
188.04778	0.3
189.05595	0.4
190.06281	0.8
191.03667	0.6
191.05525	8.2
192.04169	0.6
192.05798	0.4
193.04874	0.5
205.08679	1.5
205.91885	0.3
207.06519	0.7
209.04410	0.3
219.06558	0.4
224.03278	0.3
301.07187	0.3
329.10455	0.3
341.10382	0.3
342.11859	0.4
353.08688	0.9
359.11398	0.8
371.68744	0.3
387.10825	10.3
388.11166	1.0
402.13162	9.5
403.13693	1.3
417.15521	100.0
418.15872	12.6
418.21500	0.5
511.70627	0.4
646.86621	0.3
712.27100	0.3
741.21643	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	0.3
59.01244	1.3
59.72915	0.1
64.52380	0.2
64.92834	0.1
65.57822	0.1
67.01749	0.4
68.05033	0.1
69.03340	0.3
70.24059	0.1
71.01246	0.9
73.02820	0.3
83.01269	0.2
83.04888	0.4
85.02820	5.9
87.00739	1.3
93.03336	3.8
94.03645	0.3
98.20555	0.6
99.04401	0.2
101.02323	0.3
109.02847	0.5
111.04391	1.0
113.02306	0.2
119.03321	0.2
123.04391	0.2
127.03905	1.9
132.02115	0.1
133.02849	1.6
134.42888	0.2
135.04404	3.6
137.02335	0.2
139.11224	0.3
151.03894	0.2
161.01068	0.3
161.02347	4.0
162.02736	0.2
165.05460	0.2
165.81529	0.1
171.02934	0.4
173.04469	1.5
179.03406	2.9
183.10159	0.3
191.05533	100.0
192.04550	0.1
192.05891	3.4
193.54788	0.1
205.58749	0.2
225.11244	0.4
229.52863	0.2
243.12390	0.6
353.08759	9.3
354.09088	0.9
387.16635	1.1
681.23364	0.2
723.25110	0.4
741.26086	12.1
742.26428	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52910	0.8
58.00468	1.5
59.00961	1.5
59.01249	28.8
60.99168	1.1
69.02959	1.7
69.03323	27.2
69.50117	5.1
69.50533	1.3
71.01253	22.8
72.99167	2.6
75.02133	0.7
79.81300	0.8
85.02821	4.9
87.00726	1.9
89.02312	25.1
93.03339	7.9
94.17224	0.8
95.01258	2.4
97.02825	40.6
101.02327	11.9
103.72864	0.8
105.03352	2.0
113.02335	8.7
119.03374	9.3
121.02866	1.9
121.06464	2.5
123.04421	6.2
131.03473	0.8
141.01826	1.6
143.03392	1.3
149.05983	15.6
161.04422	1.2
165.02260	0.8
167.07031	6.3
173.04480	1.2
179.05498	3.6
191.05496	6.9
191.27789	0.7
192.62422	0.8
193.04984	38.9
194.05255	1.3
223.99773	0.7
287.67368	0.9
373.11365	100.0
374.11658	8.4
484.38348	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.3473
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37410	1.7
59.01238	9.4
61.98705	16.9
69.03319	4.1
69.86454	9.0
70.02412	1.5
71.01243	6.7
78.95777	11.9
80.96382	1.9
83.04906	4.0
85.02822	4.3
87.00769	3.4
89.02316	2.2
93.03333	8.1
96.95869	5.5
101.02306	4.4
105.47456	1.8
109.02853	2.5
113.02345	2.3
134.03647	2.7
135.04401	7.9
137.02342	3.5
145.25697	1.5
148.05656	1.7
152.99461	10.3
161.02481	1.9
163.11218	2.5
171.10156	2.6
173.04495	5.2
179.03467	2.2
191.05554	39.5
192.05862	3.3
207.10233	2.0
209.11786	100.0
210.12119	5.1
225.11252	2.2
227.03174	2.1
227.12857	26.4
235.08124	2.4
253.09282	6.4
253.21751	4.7
255.23082	2.1
268.65271	1.8
277.21689	19.5
353.08676	2.0
367.12076	1.9
429.14099	2.5
445.20721	10.1
505.25854	15.3
551.76135	2.1
637.32397	2.7
741.34918	25.5
741.46967	2.4
742.34564	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	741.4715
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66357	1.1
59.01229	1.6
69.43792	10.2
78.95774	57.6
96.34813	1.2
96.96828	5.4
98.19803	2.3
104.71542	1.1
105.82342	1.3
152.99492	51.1
153.99881	1.5
154.02551	1.3
171.00551	5.7
173.29294	1.2
188.81108	1.4
194.52269	1.3
227.03180	5.6
245.04271	1.4
253.21703	33.2
254.22044	1.8
255.23215	5.4
275.20032	1.4
277.21698	90.6
278.22037	6.6
413.20868	2.8
483.26910	3.9
505.25714	100.0
506.26038	14.9
741.47247	24.7
742.47449	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	743.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00483	1.5
59.01251	34.0
66.18313	1.1
66.91989	1.2
67.01756	3.0
68.99690	7.9
69.03325	8.4
71.01253	19.0
72.99201	1.5
85.02819	4.8
86.38671	1.3
87.00729	1.7
89.02318	18.4
93.03328	7.2
95.01265	6.7
95.04912	2.0
97.02809	2.4
101.02319	13.3
108.04465	2.8
109.02827	2.0
109.04711	1.3
113.02342	8.0
119.03387	6.4
119.04865	1.4
121.02843	8.3
121.05257	1.2
122.03676	1.8
122.05989	7.3
123.04417	12.9
127.03914	1.3
133.02859	1.9
135.04475	2.1
136.01552	4.1
137.02362	2.4
145.06487	1.3
147.04378	2.0
149.02344	6.0
149.06004	2.5
150.03116	11.1
151.03954	7.6
153.05479	2.4
155.03424	13.6
156.00499	1.5
160.04060	1.6
161.01106	1.6
161.02371	18.9
161.04474	3.0
162.03065	2.4
163.03947	2.1
164.04710	2.5
164.07217	1.4
165.01918	1.6
165.05484	10.8
167.03493	1.7
173.04720	2.3
175.03920	3.2
176.01123	1.5
176.04713	14.0
177.05446	1.6
179.03415	30.7
179.05524	13.7
179.06955	2.7
180.03751	1.6
181.05046	2.0
184.07642	1.3
185.04736	5.5
186.05464	1.5
188.03488	2.2
191.03854	1.6
191.05534	6.7
191.07095	4.2
193.04939	7.0
194.05795	32.3
195.06526	8.5
200.07077	1.9
200.10776	6.2
209.08134	73.6
210.05504	4.2
210.08369	2.4
211.06053	1.5
212.07137	2.7
213.06480	2.7
219.06520	3.4
225.06412	1.8
226.07291	2.7
227.04503	2.4
227.08217	3.6
235.06082	1.4
236.50842	1.3
238.05096	2.4
239.05870	3.4
239.08203	3.1
240.06731	6.8
241.06105	3.2
241.09755	9.6
243.07629	1.6
243.11357	34.2
244.06123	47.6
244.11586	1.9
245.06540	4.5
251.08240	2.4
253.06192	14.3
253.09801	2.3
254.06898	11.7
255.07739	11.0
256.06067	13.2
256.08145	1.3
259.08987	1.5
265.06146	3.8
267.05219	4.4
267.07864	4.8
267.11356	1.6
268.05917	2.2
269.09299	100.0
270.09903	8.1
277.06223	2.4
278.06915	1.4
279.07779	6.2
281.09348	4.3
282.06873	2.5
287.10333	5.5
291.08142	2.2
292.08707	1.7
293.05661	5.3
293.09311	4.5
294.06363	2.7
295.07211	6.6
295.10593	2.6
298.07117	3.7
299.07904	2.5
300.08774	4.6
305.09479	2.0
307.07141	5.5
307.10559	1.5
307.42612	1.3
308.07944	4.9
309.05371	2.5
309.08801	22.0
310.09506	10.2
311.10272	16.7
312.10535	1.7
313.08319	22.8
314.08810	2.2
317.09299	2.2
319.07339	3.0
321.08704	10.7
322.09201	2.0
323.10492	2.5
325.07245	2.9
329.09369	1.8
333.08740	2.6
335.10181	3.9
336.10736	2.5
337.07220	2.0
337.11890	4.5
347.10321	4.4
355.10672	4.6
358.10126	1.5
362.44556	1.3
363.09790	5.3
363.13681	2.0
367.11993	7.9
371.11285	5.5
372.12027	1.7
373.11679	6.8
387.12390	4.3
391.12875	14.1
392.13190	2.4
415.12469	2.2
417.10782	3.0
425.14731	1.5
435.11954	10.4
436.11688	1.6
443.16061	11.9
444.16196	2.1
461.17255	2.0
467.14539	4.0
468.14587	1.8
487.14999	11.0
488.14758	1.4
511.14590	7.2
519.18054	1.4
531.16846	1.6
532.18219	2.7
537.18573	1.8
551.19049	1.6
574.15564	4.8
575.16162	2.6
581.20435	7.2
623.22491	19.2
624.22339	2.0
627.98358	1.8
667.21454	36.9
667.32306	2.8
668.21161	7.0
699.24121	4.1
711.20068	8.8
712.20496	2.1
743.23138	57.4
744.23315	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	740.4933
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	0.3
61.98705	100.0
62.98389	0.2
68.28345	0.1
81.03335	0.2
83.04899	0.3
84.05238	0.1
85.02846	0.1
93.03376	0.1
98.20628	0.1
135.04454	0.2
173.04689	0.1
191.05547	1.1
192.05981	0.2
229.49344	0.1
257.59930	0.1
275.80573	0.1
353.09015	0.1
512.29028	0.1
542.62823	0.1
679.50342	0.6
680.50446	1.3
740.49261	1.0
741.49896	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23066	0.4
59.01245	2.2
61.98698	4.8
68.94949	0.4
69.66862	0.9
69.67269	2.3
71.01257	1.3
74.43014	0.4
77.03832	2.8
78.95772	2.8
81.03357	0.5
83.04897	1.0
85.02817	0.9
89.02343	0.8
90.41281	0.4
93.03352	2.6
93.03840	0.4
98.19681	0.4
101.02337	0.6
108.10635	0.4
111.04371	0.4
121.02842	100.0
122.03172	3.5
152.99474	3.5
163.11192	0.7
163.26996	0.4
165.01839	73.0
165.12831	0.6
166.02173	2.7
167.52081	0.5
171.00452	0.5
171.10216	1.7
173.04443	0.5
181.06537	2.6
191.03473	1.6
191.05530	7.5
195.13875	0.7
196.71484	0.5
197.06007	0.4
209.11772	17.1
210.12096	9.1
211.12247	0.8
215.07159	0.5
223.13370	0.7
225.05498	1.7
227.03206	0.8
227.12822	2.1
228.13161	1.2
231.10353	0.4
235.08223	0.5
253.09242	2.8
253.21721	1.5
254.09630	1.1
255.06354	0.4
255.23346	0.5
275.20117	1.5
276.20511	1.3
277.21753	4.9
284.03235	0.7
285.03964	0.9
286.04208	0.4
291.19626	0.6
293.21246	9.0
294.21573	8.2
295.21887	1.2
313.07156	2.3
357.01816	0.6
357.06149	8.7
358.06412	1.2
365.26862	1.8
448.09390	0.7
505.25812	5.5
530.64288	0.5
740.38519	0.5
741.14655	5.0
741.34509	0.6
741.46820	1.6
742.15161	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4278
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01229	4.0
61.42845	1.1
61.98700	11.8
70.71412	2.5
70.71806	2.2
71.01254	2.1
78.95776	36.4
80.02539	1.8
81.03320	1.7
83.04904	7.3
84.02045	1.9
85.81799	1.2
95.04894	1.9
96.96857	2.1
101.02386	1.5
116.35218	1.1
121.80766	1.1
123.98116	1.2
125.06038	1.5
125.09592	1.3
133.49245	1.1
135.08055	1.9
138.59525	1.1
152.99490	12.8
163.11214	5.8
165.12767	3.4
168.04227	5.9
171.10086	1.8
181.12367	1.5
187.09801	1.3
191.05516	1.7
191.10646	2.0
195.13791	1.3
209.11771	85.1
210.12090	3.9
224.06863	5.3
227.12796	10.1
253.21863	2.6
255.23277	55.3
256.23557	4.4
277.21692	8.5
278.22064	1.2
279.23196	1.2
283.26398	3.8
293.21173	2.6
294.21573	1.3
295.22809	1.7
397.13315	6.9
415.14749	2.1
429.20636	1.3
431.21973	1.7
445.20032	1.9
447.20972	1.9
480.30911	2.2
505.25735	6.1
509.60086	1.3
544.33209	1.3
690.43469	100.0
691.43744	20.3
740.41815	3.7
741.43713	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	740.3708
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	0.2
59.01251	1.8
61.98701	100.0
64.09934	0.1
67.25979	0.1
71.01247	0.5
78.95777	1.3
81.03326	0.2
85.02818	0.2
87.00764	0.3
93.03348	0.6
94.00172	0.1
96.95914	0.1
97.72327	0.2
98.19751	0.4
100.46661	0.1
101.02325	0.3
109.02809	0.2
109.06490	0.2
113.09561	0.4
123.08102	0.2
135.04459	0.4
152.99500	0.4
163.11227	0.3
168.04236	0.2
173.04408	0.3
189.09135	0.2
191.05490	1.8
192.05849	0.2
195.13783	0.3
197.11794	0.2
207.10252	0.6
209.11732	1.0
211.13359	0.4
212.13702	0.2
215.07237	0.2
221.11818	0.2
225.11191	0.3
227.12894	0.3
230.65918	0.2
239.12840	2.2
277.21863	0.6
279.23535	0.2
280.23581	0.3
285.04108	0.2
293.21213	2.6
294.21686	0.3
295.22650	0.8
367.06454	0.2
397.13922	0.2
398.13953	0.3
399.14014	0.2
447.09384	0.2
505.25443	0.3
518.28851	0.2
707.50110	0.2
740.41846	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	739.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	1.0
61.98419	0.2
61.98701	1.2
63.02265	1.3
64.99927	0.2
65.00219	1.0
70.98455	0.4
70.98785	0.3
73.16779	0.2
78.54346	0.2
78.95784	1.1
83.01284	1.1
83.04899	0.5
85.02831	0.9
87.00738	0.3
93.03351	1.0
96.95903	0.3
105.03336	0.3
105.27431	0.3
107.01274	2.4
109.02843	0.7
111.04366	0.2
112.10341	0.2
121.02861	0.5
133.02855	4.3
134.03613	1.1
135.04425	0.7
136.53775	0.2
148.01524	0.3
149.02336	1.5
151.00266	4.5
152.99495	0.5
171.04416	0.5
171.10197	0.3
173.04436	0.6
173.47195	0.2
175.03918	1.9
177.01801	0.4
178.61877	0.2
179.03552	0.2
190.02457	0.2
191.05547	4.7
192.05876	0.4
198.03101	0.4
199.03992	1.8
200.04669	0.4
201.01898	0.8
207.04758	0.3
209.11751	1.5
211.03938	0.9
212.04625	0.4
213.05476	0.7
215.03479	0.5
217.05020	0.9
222.73431	0.3
227.03458	1.2
228.04225	0.2
229.04941	0.3
231.10165	0.4
239.03474	0.4
240.04343	0.3
241.05042	0.8
243.02997	0.6
255.02994	2.4
256.03717	2.9
257.04498	0.4
267.03070	0.5
268.03708	0.4
269.04572	0.6
283.02454	1.6
284.03275	34.7
285.04034	100.0
286.04370	8.0
291.19705	0.5
297.03983	0.8
298.04889	0.8
327.05066	0.9
429.08081	0.4
446.08377	0.8
447.09393	0.3
577.24200	1.0
578.24463	0.4
628.22430	0.4
641.21899	0.3
646.74347	0.3
739.29675	44.4
740.29968	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	739.2082
Annotation	Kaempferol-3-Galactoside-6''-Rhamnoside-3'''-Rhamnoside
Peak:m/z	Relative Intensity
59.01260	2.4
63.02265	1.3
65.00198	1.3
67.01776	0.8
68.99689	1.0
69.03315	0.8
71.50407	0.6
81.03353	0.7
83.01250	0.8
85.02824	3.5
87.00752	1.0
89.02322	1.5
93.03340	4.9
99.00771	0.6
101.02317	1.3
105.03336	0.5
107.01290	2.8
109.02860	2.8
111.04421	0.9
113.02321	0.6
117.03329	0.7
119.03396	0.8
121.02820	2.1
123.04431	0.5
125.02377	0.5
127.03914	1.3
132.02074	0.6
133.02849	5.8
134.03542	0.6
135.04422	5.8
136.04761	0.5
137.02309	0.7
149.02359	1.6
151.00291	4.8
151.03874	0.6
153.05431	0.7
159.04417	0.9
160.01587	0.5
161.02348	2.6
165.05466	0.6
173.04448	1.8
175.03964	2.6
177.01924	0.9
177.05501	0.8
179.03395	5.1
191.05544	37.7
192.05869	1.4
195.06345	0.4
197.06015	0.5
199.03906	2.4
201.01816	1.1
203.03537	0.5
211.03969	1.7
213.05489	1.5
217.05080	1.4
227.03502	1.3
239.03499	1.7
241.04994	1.1
255.02882	1.1
256.03799	2.4
257.04425	1.2
267.03055	0.5
268.03830	1.2
269.01651	1.0
269.04556	20.4
270.04813	1.1
271.06107	1.2
283.02451	1.6
284.03256	52.8
285.04016	95.5
286.04401	8.6
309.04065	0.7
315.05225	1.0
320.05582	0.5
327.05145	1.4
334.60641	0.6
351.07346	0.7
352.08142	0.8
353.08807	1.6
385.09464	0.9
503.14725	1.0
521.16327	0.7
525.84723	0.5
547.14478	6.0
548.14581	1.2
565.14948	0.6
593.15485	1.1
695.24286	0.5
739.20898	100.0
740.21204	21.5
740.34717	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39537	0.4
58.19989	0.3
59.01251	2.0
61.98702	1.4
63.02283	0.9
65.00205	1.2
68.99722	0.3
69.44913	0.3
78.68044	0.4
78.95783	1.4
80.83623	0.3
81.63458	0.3
83.01289	0.7
83.04907	0.4
85.02828	1.3
87.00771	0.5
93.03353	1.5
104.77023	0.3
105.03347	0.4
106.04185	0.3
107.01269	2.2
108.53320	0.4
109.02864	0.7
121.02858	0.9
123.00787	0.3
125.02378	0.5
133.02843	3.9
134.03627	1.3
135.04442	1.0
149.02370	1.3
151.00264	4.6
152.99513	0.6
163.11256	0.4
167.10513	0.3
169.01399	0.3
171.04422	0.4
173.04439	1.0
173.05782	0.4
175.03922	1.7
177.01924	0.6
179.03319	0.3
183.04507	0.5
187.03889	0.6
191.05530	7.1
195.14078	0.3
199.03888	2.2
201.01921	0.7
209.11809	1.6
211.03940	1.1
211.13548	0.3
212.04926	0.4
213.05551	0.6
217.04990	1.0
227.03516	1.3
227.12656	0.3
239.03452	0.5
240.04211	0.4
241.04971	0.6
243.03015	0.5
245.53204	0.3
247.42778	0.3
255.02951	1.3
256.03757	2.7
257.04367	0.4
269.04562	0.6
283.02472	0.9
284.03259	35.2
285.04022	100.0
286.04391	7.1
289.18066	0.3
297.04080	1.1
298.04739	0.6
309.20694	0.6
327.05035	0.9
351.07101	0.3
429.08429	0.3
446.08551	0.5
479.41599	0.5
501.10123	0.3
547.26807	1.0
577.24518	1.6
578.25110	0.4
615.13123	0.4
739.29626	46.9
740.30035	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	738.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	0.3
61.98703	100.0
62.98394	0.1
63.13852	0.1
71.01273	0.2
89.02322	0.1
101.02324	0.2
108.40412	0.1
132.47234	0.1
143.96106	0.1
191.05661	0.2
209.11870	0.3
226.27574	0.1
277.21811	0.2
278.22205	0.2
278.64282	0.1
279.22531	0.1
280.22824	0.1
284.03650	0.1
285.04181	0.2
293.21335	0.3
313.63058	0.1
398.14005	0.2
399.14099	0.2
400.14749	0.1
404.53314	0.1
413.12460	0.1
416.14874	0.1
447.09760	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3557
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63956	0.1
55.87788	0.1
59.01256	0.2
60.36681	0.1
61.98703	100.0
62.98404	0.2
71.01292	0.1
89.02310	0.1
96.46945	0.1
136.23796	0.1
136.42513	0.1
191.05606	0.1
229.45779	0.1
255.03009	0.2
277.21713	0.1
278.22058	0.2
279.22574	0.1
283.02438	0.2
284.03415	0.2
285.04028	0.4
293.21350	0.1
397.13184	0.1
398.13712	0.1
399.14182	0.2
400.14301	0.1
446.08676	0.1
473.23483	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4113
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	0.6
58.42276	0.6
59.01249	7.2
61.98695	1.6
69.03332	4.4
70.82355	1.0
70.82674	0.8
71.01255	5.7
71.04874	1.4
73.02795	1.1
78.95763	2.9
80.96390	3.5
81.03333	0.7
85.02803	1.8
87.00751	1.9
89.02314	2.5
93.03341	1.2
94.97935	1.0
95.01287	0.8
97.02824	1.1
97.06470	1.0
101.02302	3.6
113.02341	1.7
122.98360	0.6
123.08103	0.6
125.09621	1.7
151.11116	2.9
152.99471	1.7
153.12689	0.8
161.04457	0.9
161.09599	4.7
164.98549	0.8
169.12239	1.1
173.15781	0.6
179.10706	7.6
191.05524	2.4
197.11761	42.8
198.12119	2.3
201.11224	1.1
223.09691	1.6
225.00714	1.0
225.11218	0.9
235.08186	1.5
241.10736	2.0
253.09288	2.1
255.23239	2.6
277.21719	53.0
278.21936	3.8
293.21112	1.1
318.24387	0.7
353.70706	0.6
477.19659	1.8
485.22562	0.7
541.64905	0.8
543.33728	0.6
546.98993	0.7
574.74713	0.6
677.50647	0.7
737.41107	100.0
738.41534	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	737.4115
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	1.4
58.71744	1.0
59.01244	13.1
61.98706	2.3
62.23301	0.9
69.03324	3.6
71.00954	1.1
71.01256	10.7
71.04887	2.4
71.51157	1.3
78.95777	15.4
80.96399	2.2
85.02795	2.5
87.00748	2.5
89.02322	3.0
96.96850	1.2
97.02834	1.4
97.06462	1.2
101.02304	4.6
111.04408	1.1
122.98416	5.6
125.09593	4.4
151.11209	3.3
152.99467	4.6
153.12740	2.0
161.09628	1.9
169.12267	2.6
171.10155	4.4
179.10652	6.1
179.82338	1.2
181.12239	2.9
191.05511	4.2
197.11755	88.0
198.12106	5.3
201.11241	13.5
207.10141	3.8
223.09775	1.3
224.06866	1.2
225.11281	11.2
235.08183	1.3
241.10838	2.1
243.12326	2.5
253.09338	3.6
255.23253	29.5
257.13843	1.4
263.90912	1.1
277.21716	32.7
278.22122	2.7
405.08911	1.2
433.20020	1.3
450.04727	1.2
459.18433	1.2
463.37234	1.2
477.19885	2.7
480.30927	1.3
679.38293	9.2
720.44250	1.6
737.41095	100.0
738.42743	29.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4116
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03300	1.0
59.01249	15.4
61.98705	1.3
71.01255	4.9
71.30525	1.3
72.99197	0.8
73.02823	1.2
78.95776	1.3
80.02570	0.9
81.03317	1.4
83.01249	1.3
83.04897	1.9
85.02815	2.3
87.00754	0.9
89.02314	3.1
93.03335	1.0
97.02827	5.4
99.00775	1.3
99.31994	0.7
101.02316	5.6
109.05722	1.0
109.06476	20.2
110.03586	1.3
111.00753	0.9
111.08079	0.8
113.02338	2.5
113.64773	0.8
119.03392	1.4
121.06487	0.8
123.04409	1.8
135.08058	2.3
142.02583	1.7
146.51312	0.7
161.04443	2.4
161.09654	1.4
163.11192	11.0
179.10687	1.6
179.14342	0.8
181.12247	2.5
189.09151	1.0
191.05554	4.1
195.13823	9.2
207.10194	67.8
208.10507	4.3
209.11723	4.0
211.13420	1.4
217.00162	3.2
223.13342	6.0
224.13959	0.8
225.11259	22.5
226.11630	1.2
227.12871	1.5
235.08223	3.3
253.09245	22.4
254.09500	1.1
256.13187	1.0
265.21646	1.0
275.20126	8.9
279.23175	1.1
291.19617	3.5
293.21216	100.0
294.21490	8.8
397.13501	1.3
398.60800	0.7
443.19379	3.2
457.33414	1.0
461.20074	6.8
483.31058	1.5
529.30640	1.4
639.33417	0.9
719.40460	2.6
720.40503	0.8
737.41113	32.8
738.41437	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	737.5185
Annotation	Unknow
Peak:m/z	Relative Intensity
58.55044	0.2
59.01254	20.0
59.62761	0.2
60.01570	0.3
61.98713	0.5
63.30826	0.2
63.40866	0.2
69.27493	2.1
70.76779	0.2
81.03337	6.6
83.04901	17.7
84.05219	0.5
84.30594	0.2
93.03352	0.3
105.27032	0.2
107.06046	0.3
108.04422	0.6
125.07132	1.0
126.05470	0.5
127.03978	0.3
143.08189	0.5
156.82231	0.2
161.78603	0.2
179.03462	0.4
191.05513	1.4
207.15041	1.6
207.71442	0.2
224.17650	3.1
225.16061	12.2
226.16357	0.6
242.18710	0.6
279.44189	0.2
299.80627	0.2
309.21799	0.9
324.26599	0.5
333.22894	0.8
341.29153	0.9
348.11298	0.5
348.61551	0.4
351.23849	0.3
353.14478	0.2
367.22781	0.2
367.26910	1.3
385.28168	0.4
433.31686	1.0
450.34827	1.1
451.32907	7.4
452.33258	0.9
550.43396	0.9
559.39990	0.4
565.44202	0.5
593.44043	0.7
659.48523	1.9
660.48883	0.3
677.49701	100.0
678.49982	17.7
767.84802	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3962
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	1.1
58.00462	2.6
59.01249	49.1
61.98704	2.6
62.57616	0.8
65.64158	0.9
65.90083	0.8
68.99699	0.9
69.03323	1.8
70.02695	1.7
70.03105	3.5
71.01251	31.9
72.99186	2.8
73.02807	4.3
78.32961	0.9
78.95782	1.6
83.01263	4.0
85.02827	6.9
87.00742	7.6
89.02316	28.3
91.03844	0.8
93.03320	1.1
95.01249	2.2
97.02826	5.7
99.00761	2.2
101.02324	23.3
103.29199	0.8
107.04985	1.1
109.06474	4.5
111.04418	1.3
113.02322	10.2
119.03407	7.4
119.62115	0.8
123.04411	2.1
125.02308	9.3
131.03432	1.6
133.04976	1.0
139.03903	1.4
143.03407	3.7
149.04492	1.1
155.03362	2.5
161.04439	6.0
163.11211	2.8
179.05492	5.6
181.12282	1.2
191.05576	4.4
207.10207	14.1
209.11778	4.4
211.13332	1.2
215.83171	0.9
225.11369	4.8
227.12773	1.2
235.08195	10.1
245.06787	1.3
253.09267	6.0
263.07733	1.5
275.20099	1.5
277.09283	0.9
279.23276	90.6
280.23694	7.8
284.03207	1.8
287.07593	4.2
291.19644	3.0
293.21210	10.8
294.21530	1.0
305.08688	4.3
318.66470	0.9
323.09747	1.9
397.13474	100.0
398.13794	6.3
415.14554	29.9
416.15018	2.2
461.20132	1.9
575.22583	1.7
633.21429	1.0
677.37671	1.7
737.41052	3.8
738.42084	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	737.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	2.9
61.98701	6.6
63.02275	1.0
63.70022	0.5
65.00210	1.4
69.52368	0.6
71.51011	1.1
74.12623	0.5
76.56359	0.5
78.95770	1.9
83.01256	1.5
85.02790	0.6
93.03333	0.6
96.95896	0.5
107.01278	3.1
121.02850	1.3
133.02863	5.2
135.04381	0.8
149.02347	1.8
150.12538	0.5
151.00269	5.2
152.99506	1.2
167.05128	0.5
175.03983	2.4
179.03566	0.6
185.06059	0.6
187.03896	0.5
191.05582	3.6
199.03944	2.3
201.01682	1.0
207.10260	1.0
209.11786	1.8
210.80342	0.5
211.03900	1.1
213.05464	0.8
217.05046	1.3
225.11292	0.8
227.03423	1.7
239.03398	0.6
241.05023	0.8
255.03020	4.6
256.03766	3.1
268.03787	1.2
269.04431	1.2
283.02505	3.1
284.03265	37.4
285.04028	100.0
286.04407	8.2
293.21198	1.3
297.04224	0.8
446.08530	1.0
487.79895	0.6
501.11200	0.6
524.35754	0.6
575.23077	1.5
639.11676	0.7
639.20740	2.5
719.27356	0.8
737.28162	50.5
738.28418	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	737.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00995	1.4
59.01254	13.5
66.81346	1.0
69.03314	5.5
69.47723	6.5
69.48139	2.0
71.01251	12.4
72.99207	1.3
73.02861	1.5
83.01230	1.2
85.02817	10.9
89.02317	8.6
93.03336	3.1
97.02842	7.4
97.39325	0.9
99.04393	14.2
101.02322	10.8
113.02351	5.6
119.03400	3.9
132.25894	1.0
149.05963	2.5
183.10194	2.1
191.05473	5.0
193.04977	4.0
201.11226	4.1
345.15555	2.1
363.16589	100.0
364.16809	7.3
373.11380	11.2
374.11603	1.5
375.12015	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	737.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	0.5
59.01253	3.7
61.79676	0.5
61.98699	6.1
63.96106	1.4
64.03932	0.6
65.90985	0.5
66.43913	0.5
67.01759	1.1
68.99706	0.7
69.03333	1.6
70.66808	1.6
71.01248	10.6
71.72401	0.5
72.99183	1.8
73.02827	2.6
74.82789	0.6
78.95786	1.3
78.98467	6.6
79.95604	13.6
80.96389	73.6
81.03333	2.1
83.01259	0.7
83.04905	1.3
85.02815	8.3
85.93853	0.5
87.00753	4.3
89.02319	1.3
93.03347	3.5
94.97961	17.4
96.64211	0.5
96.95878	3.4
97.02839	1.4
97.06448	0.7
99.00751	1.2
101.02317	5.1
106.97968	4.4
109.02865	0.6
110.99995	0.6
111.00761	10.5
117.01874	0.7
121.02850	1.1
122.97450	3.5
123.04472	0.7
125.02362	4.0
127.03904	1.8
129.01804	0.8
134.97479	5.2
135.04469	0.9
136.99016	1.3
137.02322	0.9
146.97395	0.6
148.05170	1.2
148.99045	6.7
150.03148	0.7
152.98534	7.5
154.99722	1.2
161.04474	0.9
163.07516	0.6
163.11092	0.6
164.98543	14.3
165.05505	0.7
173.00818	3.6
173.04460	1.6
191.01891	10.8
191.05533	20.5
192.05911	1.5
206.99657	3.2
209.11761	8.8
210.12099	2.1
225.00696	27.6
226.01028	0.7
227.12955	0.6
268.15146	0.6
283.05008	0.9
285.03918	0.9
329.12347	1.2
505.17285	0.9
509.16867	5.9
510.17355	0.8
551.18579	0.7
563.21216	1.7
663.33142	2.4
677.34930	0.8
737.30579	100.0
738.30914	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	737.3959
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75198	4.4
59.01249	69.2
61.98698	9.9
71.01250	30.8
71.51071	6.7
72.99191	5.7
78.95787	12.3
84.30541	4.0
85.02816	11.9
87.00751	9.4
89.02325	28.6
93.03323	6.3
97.02826	6.5
99.35931	4.1
101.02321	28.4
113.02316	9.2
118.19745	3.6
119.03392	8.4
125.02332	17.7
133.31693	4.2
152.99525	4.8
155.03442	4.7
161.04443	7.8
179.05562	6.9
191.05510	30.5
207.10278	6.9
209.11807	8.6
225.11304	11.4
235.08157	13.4
253.09305	7.9
279.18512	5.1
279.23270	95.2
279.26114	7.3
280.23676	11.2
284.03119	10.0
285.04031	11.7
291.19611	6.1
293.21323	6.0
299.05670	12.2
305.08893	6.3
388.71475	4.5
397.13480	100.0
397.18552	5.6
398.13812	6.7
415.14481	37.5
417.56213	4.2
737.29956	7.5
737.41736	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	736.3398
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58921	0.1
59.01256	0.1
61.98703	100.0
62.98415	0.2
63.51368	0.1
70.52702	0.3
71.01279	0.1
74.55471	0.1
79.95604	0.1
80.96403	0.3
85.02883	0.1
93.03342	0.2
94.97979	0.1
135.04482	0.1
161.02377	0.1
191.05540	1.3
191.07176	0.1
209.11816	0.1
225.00769	0.1
241.49854	0.1
445.93668	0.1
655.84833	0.1
736.29236	0.4
737.29358	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	2.1
55.62499	0.6
57.03325	2.4
58.00460	4.6
59.01248	100.0
60.01575	0.8
61.98701	5.4
65.03828	2.5
67.01751	1.9
67.12776	0.7
67.30103	0.7
68.99686	23.6
69.03321	24.0
71.01253	86.3
72.01592	1.0
72.99169	6.9
73.02815	6.2
75.00754	1.7
80.96392	2.1
83.01253	4.6
85.02821	21.2
87.00742	4.5
88.90842	0.6
88.98702	0.9
89.02316	82.3
90.02680	1.1
91.01772	3.3
93.03335	17.2
94.23043	0.6
95.01260	6.3
97.02850	1.4
99.00758	2.8
101.02318	73.4
102.02680	1.2
107.04910	13.7
109.02805	0.7
111.00762	1.1
113.02328	38.9
119.00466	0.6
119.01321	2.3
119.03387	31.4
119.04889	1.8
121.02843	22.7
121.03685	1.4
121.06481	6.0
123.04373	0.9
125.02316	1.5
127.03944	1.3
131.03386	4.1
131.04924	1.0
133.02864	0.9
135.04378	4.0
135.08035	0.7
137.02371	1.8
143.03438	7.3
143.04987	1.1
145.06491	4.9
147.04390	4.7
148.05202	69.4
149.02336	2.0
149.04437	1.7
149.05711	2.4
151.03888	3.9
153.05470	22.9
154.05843	0.8
158.03577	0.9
158.06833	0.7
159.02888	1.5
161.02438	1.2
161.04485	13.5
161.05910	1.3
162.91795	0.8
163.03931	3.8
163.07555	40.0
164.07954	2.7
165.01826	1.4
171.04491	3.2
173.00970	0.7
173.04608	1.0
173.05988	10.0
174.06178	0.8
175.03986	1.9
179.03447	12.6
179.05566	12.3
179.07004	1.2
181.05115	0.8
185.06047	0.8
187.07602	2.9
189.05507	2.6
191.01936	0.9
191.05562	12.3
191.07111	7.0
195.06610	0.9
197.04567	1.4
204.89922	0.7
205.08661	5.8
207.06639	2.6
217.05112	2.2
221.04605	1.4
221.08177	1.4
223.09805	2.1
225.00638	1.1
231.06479	4.0
231.10135	0.8
235.06050	3.0
241.12418	0.9
242.56702	0.8
249.07666	6.7
250.08058	0.8
259.06329	0.8
267.08896	2.4
273.07916	1.3
291.08835	1.7
309.09738	6.4
341.08768	29.4
342.09222	2.4
361.09421	0.9
375.10861	0.9
379.10394	1.1
393.12106	2.1
397.11292	0.9
411.13040	10.2
412.13181	1.1
429.13971	27.5
430.14569	2.2
473.18109	6.0
474.19037	1.0
505.17145	53.0
506.17358	7.8
525.17719	1.9
543.19116	1.6
557.20575	1.9
573.18237	0.8
575.21259	8.4
576.21851	1.7
737.30750	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	735.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98288	0.5
54.44679	0.6
59.01244	1.8
61.98703	42.6
63.96105	1.9
65.16623	0.5
65.46788	0.5
71.01252	11.6
72.83669	0.5
72.99182	1.2
73.02812	1.7
75.00741	0.8
78.95786	2.1
78.98465	7.4
79.95605	13.9
80.96391	86.0
81.03306	1.3
85.02822	5.2
87.00747	3.3
92.86759	0.6
93.03336	2.5
94.97968	19.0
96.95881	2.1
97.02837	2.3
99.00743	1.0
101.02316	3.6
106.97973	3.9
106.98579	0.7
109.02834	0.7
109.06484	1.3
111.04471	0.7
113.02323	0.9
115.30633	0.5
118.98011	0.6
119.04897	1.4
120.07217	0.6
120.10287	0.6
122.97474	3.7
125.02322	3.5
127.03880	1.5
134.97490	5.5
135.04413	1.4
136.99055	1.3
148.99057	8.3
152.98537	9.0
163.03856	2.0
163.11185	0.8
164.98544	15.5
173.04465	3.0
173.76019	0.6
191.05540	12.7
192.05977	0.7
203.32103	0.6
206.99623	4.2
207.10190	1.5
209.11801	3.7
210.12140	1.0
225.00690	26.1
225.11290	1.0
226.01021	0.9
255.02812	0.6
269.04385	1.5
273.71762	0.7
285.04074	0.6
370.33337	0.7
424.85550	0.6
507.15479	1.9
509.16888	2.0
644.45038	0.7
735.28998	100.0
736.29309	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	735.399
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15687	1.0
63.57852	1.1
66.40737	0.9
71.01251	8.8
75.80871	1.1
78.95752	2.5
78.98466	6.3
79.95606	12.8
80.96387	75.5
81.96288	1.1
85.02802	2.7
87.00744	3.2
94.97393	1.3
94.97959	16.9
96.95840	1.8
97.02830	1.8
101.02329	1.5
106.97932	2.8
110.98370	1.1
119.54233	1.2
122.97421	3.8
125.02289	2.9
127.03912	1.0
134.97476	6.4
148.99011	5.2
152.98503	6.4
164.98558	10.5
171.10181	1.6
183.05054	1.1
191.97612	1.0
197.11815	1.4
206.99515	2.6
211.13266	1.5
225.00699	18.6
229.14386	1.2
235.20677	1.1
255.23286	7.1
265.46234	1.2
298.09781	1.5
298.13580	1.2
329.23087	4.5
479.15610	3.3
506.36276	1.1
657.63965	1.1
735.39539	100.0
736.40143	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	735.4324
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66209	0.8
57.03325	0.8
59.01262	6.1
60.63929	0.8
68.66847	0.8
69.03323	1.7
71.01263	3.9
71.50679	0.9
74.65789	0.7
78.95777	3.1
83.04909	1.0
85.02839	1.3
89.02317	2.8
93.03358	1.2
98.99755	0.8
101.02327	3.6
109.06468	0.9
113.02344	1.4
116.92592	0.8
149.09572	0.9
152.99478	1.6
161.04434	1.1
167.10680	2.6
179.05522	1.0
179.10760	1.6
179.14314	2.9
191.05540	3.1
195.13846	14.5
196.14159	0.9
205.12271	10.1
206.12503	1.1
223.13347	100.0
224.13649	5.7
225.14908	1.4
235.08168	3.3
253.09265	17.7
255.23259	1.4
275.20102	4.8
293.21219	83.5
294.21527	7.0
318.69205	0.8
459.22324	9.7
460.22504	1.2
529.30579	1.1
619.34778	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2939
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58314	0.5
52.77647	0.4
55.01739	1.6
57.03313	1.9
58.00454	2.6
59.01249	36.8
60.01579	0.6
67.01765	0.6
68.99664	1.6
69.03320	4.1
70.03632	0.5
71.01250	37.8
71.03260	0.9
71.03624	0.6
72.01549	0.5
72.29557	0.4
72.99194	2.9
73.02818	6.2
75.00746	0.5
76.16203	0.5
78.95741	0.5
83.01257	3.3
85.02821	12.7
87.00749	1.7
89.02316	20.6
93.03297	1.4
95.01258	2.9
95.04919	1.1
97.02851	0.5
98.57983	0.4
99.00732	2.5
99.04386	0.6
100.94205	0.5
101.02319	23.4
107.04927	0.8
108.02006	0.5
111.00751	0.6
113.02328	13.9
119.03380	7.2
121.10123	9.3
123.04405	0.9
125.02285	0.6
127.03870	1.0
129.01910	0.5
131.03447	1.1
136.01601	1.1
140.01178	0.6
143.03369	0.8
145.02879	0.6
146.08110	0.7
149.02350	1.5
149.04495	0.5
150.03101	2.2
151.03889	1.2
155.03345	0.6
159.02901	1.2
161.04468	7.3
165.05473	2.0
165.09120	2.5
167.10638	0.7
169.08640	0.7
172.02542	0.5
177.05424	0.6
179.05542	2.6
181.04958	0.5
182.09666	0.9
184.07506	0.6
189.05383	0.7
191.05522	4.3
191.06992	0.7
195.06650	1.0
208.07652	1.3
213.07657	1.1
214.08008	0.5
236.07193	1.4
239.73055	0.5
277.12106	0.7
301.16504	1.5
306.69266	0.5
309.69315	0.5
331.12341	0.4
345.15521	100.0
346.15860	7.8
357.13315	0.7
375.13318	1.3
376.13016	1.1
377.13229	1.2
424.56586	0.4
430.14819	1.0
430.72235	0.5
458.14355	1.0
505.18808	1.1
523.19904	1.0
535.19904	1.1
571.21783	0.9
733.24573	4.4
734.23358	2.7
750.01086	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00443	2.3
59.00956	2.8
59.01250	53.0
59.75661	1.6
61.46816	1.7
67.01734	2.7
69.03324	43.3
71.00898	3.3
71.01256	38.9
71.50261	2.2
71.64019	2.0
72.99170	3.9
75.82339	1.6
83.01274	2.4
85.02819	7.2
87.00732	2.2
89.02313	42.2
93.03325	14.3
95.01288	3.0
97.02828	61.7
98.22343	1.8
101.02331	20.5
105.03300	2.5
113.02317	11.8
119.03366	10.0
121.02841	5.5
121.06490	3.1
123.04406	12.9
131.03378	2.2
137.05959	2.4
141.01855	3.6
147.04419	2.9
149.05983	18.5
161.04500	2.6
165.05414	2.4
167.07021	6.9
169.76151	2.0
179.05473	2.7
193.04993	39.5
293.60196	2.3
361.10156	2.7
373.11383	100.0
374.11734	11.8
522.76709	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	734.324
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01223	0.2
61.98701	100.0
62.98414	0.2
64.81062	0.1
65.12972	0.1
67.01772	0.2
68.37134	0.1
70.84187	0.1
70.84518	0.2
71.01254	0.1
73.06811	0.1
73.79755	0.1
80.96420	0.2
85.02821	0.1
87.00748	0.1
93.03327	0.6
96.73326	0.1
133.02872	0.1
135.04439	0.5
140.03835	0.1
151.03970	0.1
152.99513	0.1
173.04492	0.3
191.05554	1.4
209.11754	0.2
351.07147	0.1
543.26447	0.1
583.56116	0.1
583.66888	0.1
638.21606	0.1
734.29248	0.2
735.32513	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	3.7
61.98698	14.9
63.82456	1.1
67.01755	2.1
68.99668	1.2
69.03323	1.7
71.01242	3.7
71.51302	1.7
78.95763	1.1
79.79855	1.0
81.77679	1.0
85.02812	3.9
87.00742	8.9
88.98666	1.4
89.02334	2.4
89.38876	1.1
93.03333	10.6
95.01270	2.4
96.95885	1.2
97.02818	1.2
99.60111	1.0
101.02348	3.4
105.03353	1.1
108.02045	3.3
108.68494	1.0
109.02831	3.9
109.73489	1.2
111.04383	1.4
119.44923	1.1
121.02832	16.8
122.03644	16.0
123.04407	2.9
132.01999	1.4
133.02827	4.5
133.75621	1.1
134.03688	5.7
135.04439	7.8
135.57629	1.0
136.01530	3.8
137.02315	4.0
145.02835	3.9
146.03633	3.5
147.04370	4.8
149.02348	34.3
149.05974	5.7
150.03128	100.0
151.03883	5.3
155.03348	1.9
158.03618	1.3
159.04485	2.6
160.05168	2.3
161.05969	4.1
162.03116	2.2
163.03915	9.1
164.04703	13.2
165.05481	83.5
166.05971	5.5
167.07018	1.9
173.04434	2.3
173.05847	1.3
175.07516	1.7
176.04668	2.2
177.05492	5.5
178.02675	1.6
178.06227	2.3
179.03464	2.0
179.07060	5.8
180.04224	8.0
180.07808	3.4
181.04906	1.6
181.08611	3.5
191.03703	2.0
191.05533	25.5
191.07068	1.8
192.04166	3.5
192.05858	2.3
193.04959	1.3
195.06551	46.2
196.03818	1.2
196.06769	1.5
204.04156	2.2
207.06540	12.9
208.07202	2.0
209.11797	1.6
210.05183	1.8
219.06586	3.5
223.07719	1.6
223.09645	6.9
224.04688	2.2
225.05476	2.4
226.06334	1.3
226.08385	1.4
227.03326	1.1
227.07086	1.1
237.05521	1.8
237.07553	6.9
238.06189	2.4
239.03464	1.3
239.07004	3.0
240.04260	13.6
241.04730	1.4
251.07152	1.5
252.04196	1.5
253.05019	2.1
254.05716	2.9
255.06583	6.5
265.05051	3.8
265.08820	1.9
266.05994	2.3
266.67267	1.2
267.06555	8.0
268.07324	2.6
269.08191	8.9
270.08881	4.3
271.09650	1.6
277.05154	1.8
278.06033	1.3
279.06577	2.9
280.07404	2.1
281.08124	4.9
282.08914	1.6
283.06100	5.1
283.09723	3.7
284.06790	1.3
285.04163	1.6
285.07816	1.5
292.07349	1.2
293.08078	1.7
294.08902	2.0
295.06223	15.6
295.09625	2.9
296.06485	2.6
297.07614	2.0
298.08386	16.1
299.09125	7.1
300.09631	1.1
301.10535	2.1
305.08017	1.6
309.07672	2.3
309.11273	2.5
310.08469	14.2
311.09235	6.8
311.12280	1.2
312.09747	2.0
313.07248	2.4
313.10785	21.1
314.08032	1.9
314.11493	10.3
315.12256	2.4
323.08990	1.3
323.12759	2.2
325.10779	21.3
326.11310	7.2
327.12231	3.0
328.09430	3.1
329.10080	1.3
329.13913	20.4
330.14310	2.0
337.10822	1.9
341.13919	10.0
342.14294	1.7
343.11816	36.5
344.12042	3.7
355.11841	7.0
359.15289	1.6
373.12854	17.1
374.13406	2.0
431.14777	1.6
459.13721	1.4
461.15659	1.4
462.16879	2.5
463.17218	1.7
473.16043	1.6
474.16696	4.5
475.17422	3.3
477.19107	14.3
478.19470	2.0
489.19241	15.6
490.19312	2.5
501.19501	2.0
507.20175	8.9
508.19995	1.6
519.20178	20.0
520.20428	2.9
526.49200	1.2
541.24402	1.9
555.22321	9.4
556.22760	1.7
573.21057	3.0
577.18616	1.4
607.20123	2.4
610.21771	2.3
615.61456	1.3
622.22131	2.0
625.15521	1.2
625.24670	16.6
626.24640	4.3
637.24475	18.4
638.24359	3.2
655.25378	17.8
656.25677	3.3
667.25452	26.2
668.25970	4.8
673.26385	7.6
674.27368	1.5
679.25433	3.9
685.15338	2.1
685.26440	29.3
686.27197	5.1
697.26166	4.6
698.26569	1.7
703.27686	13.3
704.27600	3.4
715.27515	11.2
716.27551	4.4
733.27472	6.3
734.29327	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	732.3085
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01085	0.1
55.24921	0.1
57.55719	0.1
59.01252	0.1
61.98700	100.0
62.98415	0.2
68.99690	0.1
71.01270	0.2
71.50695	0.2
77.77114	0.1
78.95776	0.6
85.02824	0.3
87.00756	0.1
93.03337	0.4
96.95877	0.7
96.96845	0.2
104.64980	0.1
109.02871	0.1
120.99543	0.1
129.65300	0.1
135.04463	0.2
150.67989	0.1
152.99480	0.3
161.02322	0.2
165.30959	0.1
173.04440	0.4
178.66040	0.1
179.03374	0.2
181.07088	0.1
191.05533	1.6
192.05870	0.2
207.10303	0.2
208.25568	0.1
317.35107	0.1
350.93454	0.1
385.83008	0.1
415.19614	0.1
515.49902	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00435	1.6
58.10613	1.1
59.01256	26.3
61.98703	5.9
67.01759	3.8
68.99314	2.2
68.99686	40.7
69.03332	13.9
70.07870	4.3
71.01259	21.6
72.99185	2.8
78.95784	2.6
78.96584	1.0
79.95602	1.4
83.01279	1.2
85.02831	8.3
87.00763	2.9
89.02319	21.0
93.03334	6.3
95.01266	46.0
96.95885	21.8
97.02843	12.9
97.16300	0.9
98.95425	1.3
99.92457	3.4
101.02326	87.0
102.02657	1.8
108.02075	1.8
108.28649	1.0
109.02833	2.0
111.04428	1.9
113.02353	9.3
115.91970	3.5
116.92007	1.0
116.92764	6.1
119.03394	11.0
121.02847	12.8
122.03619	1.8
123.00783	1.4
123.04421	14.7
127.03903	3.1
131.03387	1.3
133.02843	1.5
135.04390	4.5
139.00333	1.0
139.03883	1.3
143.03407	1.4
147.04413	1.8
149.02368	3.1
149.04449	1.3
149.06009	1.0
150.03119	2.8
152.99483	1.7
155.03410	100.0
156.03712	3.1
161.02364	1.1
165.05463	3.4
173.04448	3.3
173.05910	1.3
179.03348	1.9
179.05496	2.7
191.05548	21.7
192.05923	1.9
195.06630	1.6
209.11702	2.7
231.01523	1.1
271.02722	1.4
343.15558	4.0
361.16687	1.4
388.06894	1.1
439.17865	1.1
440.17987	1.5
446.08438	2.5
467.21152	16.1
468.21130	2.3
475.10028	1.3
499.19763	76.0
500.20105	9.9
551.22772	7.9
569.09186	1.5
569.23810	3.4
671.18109	1.3
731.29401	7.6
732.30579	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	731.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	7.9
60.89507	0.6
61.25112	0.5
61.98698	2.1
69.03332	0.5
69.27451	1.2
69.27863	4.3
71.01258	2.6
72.99192	0.8
73.02809	2.3
85.02840	3.5
87.00772	1.5
93.03336	4.3
95.01221	0.6
96.54565	0.5
101.02311	0.9
103.03910	1.0
108.02075	0.6
121.02847	6.5
122.03629	14.1
123.04393	2.0
125.02344	0.6
132.02074	0.8
133.02840	1.7
134.03642	1.0
135.04451	0.7
136.01527	2.1
137.02341	0.8
146.03577	0.7
146.73341	0.7
147.04437	0.7
148.01663	0.8
149.02354	33.3
149.05960	1.0
150.03133	100.0
151.03444	3.2
158.82077	0.5
160.01573	1.1
161.02371	0.6
162.03134	0.6
164.04721	6.4
164.63525	0.6
165.05492	92.1
166.05840	4.1
179.03479	0.9
179.07065	0.8
180.04218	6.9
191.05600	2.7
195.06572	43.1
196.06960	1.6
270.05121	0.6
271.09744	0.7
281.08063	0.9
283.06308	0.7
283.09653	0.9
287.09140	0.7
296.06870	1.0
297.07629	1.0
299.09210	1.3
299.13004	0.7
300.10052	0.7
311.09409	2.7
312.09769	0.9
313.10840	3.1
316.09299	1.0
325.10538	0.7
327.08710	0.6
327.12369	0.9
329.10602	0.9
332.08740	0.8
341.10104	1.2
342.11154	0.9
343.08072	1.3
343.11850	1.3
345.13419	2.5
356.12543	1.9
357.13373	2.1
359.14920	1.4
369.15402	0.8
371.14703	1.1
373.12903	1.4
385.12897	1.7
399.50961	0.6
407.05316	0.7
407.87158	0.6
456.43365	0.7
461.15881	1.1
475.16141	6.4
476.16272	0.8
487.16086	8.9
488.16507	1.4
490.18442	9.8
491.18747	1.7
493.18497	1.2
502.18518	3.6
503.19312	1.4
504.18546	0.7
505.20792	38.6
506.21213	5.1
517.20764	34.1
518.21143	4.0
519.20514	1.3
521.17328	0.7
535.21088	0.8
639.24493	0.6
653.26196	2.8
665.26025	39.8
666.26550	6.4
683.27002	18.4
684.27618	3.3
713.27704	1.7
731.29120	23.6
732.29675	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	731.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38373	0.5
59.01257	3.0
61.98687	0.8
69.28070	5.5
71.01247	1.6
73.02820	0.6
85.02834	0.8
93.03326	2.8
105.60426	0.5
107.72269	0.6
121.02843	4.4
122.03622	12.5
133.02841	1.2
136.01553	0.9
137.02307	0.8
149.02341	15.2
150.03127	87.3
151.03442	3.0
164.04709	3.5
165.05484	100.0
166.05832	4.2
180.04219	5.6
186.78577	0.6
195.06557	52.2
196.06871	2.4
238.67471	0.7
296.06870	0.8
297.07645	0.7
299.09390	0.5
303.30228	0.6
311.09219	1.9
313.10724	1.7
326.30792	0.6
341.10236	1.1
343.08112	0.7
343.12036	0.9
345.13425	1.2
355.07809	0.7
356.12674	0.8
357.13281	2.1
369.15628	1.4
371.14938	0.8
373.12842	1.5
385.12717	1.6
423.03055	0.7
475.16049	4.5
487.16098	6.4
488.16202	0.9
490.18378	6.5
491.18747	0.8
502.18381	2.2
505.20804	29.4
506.20901	2.8
517.20758	26.7
518.20972	3.6
525.78430	0.7
653.26031	0.8
665.26276	7.5
666.26538	1.1
683.27045	4.0
731.29187	8.1
732.29639	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	731.24
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53833	1.0
55.01764	1.8
57.03315	2.6
58.00464	1.5
59.00958	1.6
59.01250	31.7
68.99660	3.0
69.03326	63.0
69.67835	6.9
70.03701	1.3
71.01255	20.7
72.99190	2.6
73.02823	1.5
78.17448	1.1
81.03314	1.5
83.01242	1.2
85.02814	7.4
85.96563	1.1
87.00744	6.5
89.02319	17.8
93.03310	3.6
95.01261	2.6
95.04903	25.0
97.02803	2.6
99.04407	8.7
101.02316	12.8
107.04906	9.7
109.02800	1.5
109.06441	2.0
113.02325	31.7
119.03400	7.9
119.04808	1.2
121.02881	6.0
123.04412	8.0
125.05971	5.0
133.06410	1.6
135.04398	1.5
136.01556	1.7
140.16339	1.3
143.03427	1.6
147.04402	2.2
149.02339	6.4
149.05971	4.9
150.03094	4.7
151.03883	4.3
151.07539	9.1
163.03845	1.2
165.05446	4.8
169.08621	20.2
175.03931	2.6
179.03543	1.7
179.05577	1.6
191.05531	9.9
193.04999	8.9
195.06546	4.6
197.08070	1.7
213.07614	38.4
214.07962	1.7
255.08772	2.7
305.00867	2.2
317.88904	1.2
333.00607	2.9
334.01059	2.4
335.01926	2.5
344.84229	1.3
351.11734	1.2
355.10565	5.5
375.12933	59.6
376.13266	5.2
394.50433	1.3
417.14301	2.3
499.14514	4.5
551.17853	3.5
569.20148	6.3
699.11816	2.6
731.24042	100.0
732.24176	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	729.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94016	0.4
58.00464	1.5
59.01249	31.6
59.57837	0.4
71.01247	7.6
71.39299	0.7
72.99191	1.0
73.02811	5.1
77.30341	0.4
83.01256	0.6
85.02815	8.4
87.00758	0.5
89.02308	9.4
93.03332	3.9
101.02316	7.2
103.03887	10.2
103.04558	0.7
105.03345	0.5
109.02845	0.6
119.03374	4.8
121.02841	4.9
122.03625	15.4
123.04383	0.6
127.03912	1.3
133.02835	1.4
134.03618	0.6
135.04405	1.0
136.01546	1.6
137.02350	0.5
138.03127	0.6
140.86035	0.4
145.04977	2.2
149.02339	19.9
150.03125	100.0
151.03433	3.9
153.05426	0.5
163.06026	8.3
164.04713	2.5
165.05476	92.6
166.05830	4.3
180.04189	5.8
191.05516	3.2
191.93889	0.4
195.06549	70.6
196.06905	4.1
203.07042	0.7
221.76424	0.4
238.06226	0.8
253.18004	0.5
278.05630	0.7
293.08258	0.5
294.05243	1.4
309.07614	1.2
324.10004	2.3
324.13443	0.5
339.12338	9.5
340.12680	1.2
351.12405	0.7
369.13403	4.8
370.13895	0.8
411.14417	1.8
455.16934	1.0
485.53748	0.4
487.17563	0.6
503.19260	8.0
504.19644	1.2
515.19214	14.9
516.19415	2.7
517.18616	0.9
565.20728	1.5
681.25507	3.0
729.27594	3.2
730.28009	1.4
748.47662	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	0.9
58.00469	3.1
58.31759	0.4
59.01250	60.9
60.01582	0.5
71.01250	13.5
72.99178	3.9
73.02821	11.5
74.04632	0.4
78.78082	0.5
83.01234	0.7
85.02822	12.7
87.00769	0.9
89.02316	15.8
93.03339	6.0
95.04914	0.7
101.02321	12.6
103.03893	16.2
105.03324	0.5
109.02836	1.1
115.03885	0.5
119.03389	5.8
121.02847	6.4
122.03619	17.2
123.00750	1.1
123.04439	1.2
124.01595	0.6
127.03891	1.7
133.02840	1.3
135.04428	0.5
136.01544	1.9
137.02312	0.7
138.03099	1.1
145.04942	3.0
149.02356	23.1
150.03133	100.0
151.03432	4.7
153.05498	1.0
163.06041	14.5
164.04684	4.3
165.05493	91.9
166.05846	4.4
167.21600	0.4
171.02783	0.5
178.45351	0.4
179.18785	0.5
180.04202	6.3
185.10384	0.5
187.03868	0.5
190.88651	0.5
191.05634	3.0
195.06569	58.5
196.06952	2.9
203.07062	1.2
206.81467	0.5
238.06297	0.6
249.05402	0.6
277.05109	0.9
278.05750	1.0
293.08069	0.7
294.05328	0.9
309.07730	1.7
310.08334	0.6
321.07498	0.7
323.09106	0.8
324.09933	3.1
325.10632	0.9
326.11679	0.5
339.08560	0.7
339.12341	12.3
340.12631	1.2
351.12155	0.6
369.13455	5.0
411.14398	2.1
449.15656	0.5
457.13046	1.9
472.15326	1.1
487.17776	6.6
488.17969	0.6
503.19244	10.0
504.19562	1.3
505.18350	1.3
515.19275	17.5
516.19470	3.2
517.18616	8.5
518.18988	1.4
535.19550	5.5
536.19897	0.9
565.20905	2.1
651.24420	0.6
663.24658	1.2
681.25482	22.6
682.25879	4.9
729.27667	9.5
730.28271	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	729.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65935	1.0
57.03304	2.1
57.07909	0.9
58.00450	2.0
59.01249	40.0
60.99154	2.0
61.98698	10.8
65.03831	1.4
67.01738	2.3
69.03320	49.6
69.48707	2.2
69.49115	6.5
70.65115	0.9
71.01250	28.5
72.99172	2.5
73.02820	5.0
73.18132	1.0
77.44031	0.9
78.61874	0.9
81.47855	1.1
83.01234	2.4
83.04887	1.6
85.02817	14.1
87.00729	4.0
89.02322	23.1
93.03339	14.2
95.01237	4.5
95.04877	2.3
96.95889	1.2
97.02829	73.3
98.03120	1.9
101.02321	16.3
105.03317	2.2
107.04868	1.2
108.02035	1.1
109.02798	2.4
111.04350	4.7
113.02335	14.0
119.03384	6.1
119.04922	2.2
121.02818	8.5
121.06416	3.2
123.00672	1.4
123.03696	1.2
123.04411	13.1
133.02856	1.7
133.09674	1.1
135.04346	4.3
137.02341	1.9
137.05951	0.9
139.03883	8.2
139.47379	0.9
141.01822	6.4
147.04321	4.0
149.02342	1.5
149.04855	1.3
149.05992	18.5
150.03061	2.1
151.03862	2.1
155.03360	1.8
161.02357	1.3
161.04375	2.9
163.03853	1.9
165.01807	1.3
165.05359	4.1
167.06944	3.8
173.04393	2.6
177.90985	1.0
179.03400	2.4
179.05519	2.0
189.05429	1.7
191.05544	21.2
191.07057	2.3
192.05872	1.4
193.03352	1.6
193.04987	22.8
194.05321	1.2
234.19469	1.1
280.13803	1.2
338.45367	1.1
353.08569	2.2
373.07187	1.5
373.11401	16.0
432.81281	1.5
453.13693	11.5
453.20584	2.5
475.14511	4.5
497.12808	2.5
497.19910	1.4
505.16882	2.8
517.15851	1.5
523.17615	4.7
549.15826	1.3
670.49524	1.3
685.22900	2.2
729.21985	100.0
730.22632	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	729.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32652	0.8
55.66995	0.9
57.03308	1.1
58.00441	2.8
58.06616	0.8
59.01249	49.9
60.99164	1.5
61.98679	1.8
65.34839	1.0
67.01746	3.4
68.99686	5.5
69.03324	58.9
69.30296	5.9
69.30708	2.7
71.01251	34.4
72.99174	2.1
73.02818	1.2
77.53600	0.9
79.01752	1.2
83.01221	1.8
85.02818	7.9
87.00756	6.9
89.02312	38.0
93.03329	17.4
95.01276	6.1
95.04875	3.2
97.02831	99.6
98.03137	2.6
101.02323	15.9
105.03318	3.5
107.04883	1.5
108.02020	1.7
111.00753	2.2
111.04358	1.4
113.02325	12.9
113.24753	1.0
119.02603	1.2
119.03387	15.6
119.04881	2.8
121.02842	10.3
121.06493	5.0
122.03586	1.0
123.00763	5.9
123.04404	27.2
124.04720	1.1
125.02369	1.7
131.03380	1.5
131.04895	1.4
131.65993	0.9
133.02846	1.6
134.03543	1.0
135.04372	3.6
137.02377	5.1
139.03793	1.0
141.01826	9.1
143.03351	1.5
147.04362	2.8
149.02344	7.8
149.04739	1.6
149.05981	27.1
150.03122	9.2
150.06297	1.2
155.03391	1.2
159.04401	1.6
161.02304	2.3
161.04428	2.6
163.03923	4.4
164.04654	1.2
165.01840	8.3
165.05489	9.4
167.07060	6.2
172.38481	0.9
173.04411	3.5
173.05853	1.1
179.03328	1.3
179.05473	9.7
179.07016	1.9
179.76712	0.9
180.04141	1.1
183.02881	7.2
189.05466	3.1
191.03371	4.0
191.05473	9.9
191.07121	1.9
192.06023	0.9
192.89780	0.9
193.04977	35.1
194.05365	1.1
195.06569	8.8
207.06537	1.8
211.06064	1.5
217.04935	4.0
235.06116	7.1
253.07217	1.1
339.12228	1.1
355.10236	5.0
373.11368	76.9
374.11884	6.3
415.12274	3.1
453.13922	4.8
497.12845	2.7
507.19760	3.1
515.18872	1.1
519.20270	5.5
537.20807	2.7
549.21014	2.9
567.17871	2.4
729.22192	100.0
730.22498	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	729.2256
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15746	1.2
59.01249	35.5
60.01585	1.3
60.10484	1.2
61.98703	61.2
67.01736	1.9
68.99680	3.0
69.02964	2.6
69.03329	48.8
70.03664	1.2
71.01248	32.5
71.14297	1.1
71.51397	2.3
72.01601	1.1
72.99175	2.6
73.02827	2.0
79.01751	1.1
80.79802	1.2
83.01279	1.8
85.02813	13.5
87.00731	3.8
89.02319	24.3
93.03330	13.0
95.01254	4.7
95.04886	1.4
97.02831	62.4
98.03158	1.4
101.02330	13.4
105.03324	3.0
111.00751	1.2
113.02325	17.1
113.99493	1.3
119.03395	9.2
119.04849	1.5
121.02847	5.7
121.06448	3.6
123.04416	14.4
130.84503	1.3
139.13855	1.1
141.01814	3.8
147.04401	1.3
149.02330	8.4
149.05983	18.6
151.03920	1.3
161.04390	1.6
165.05467	1.4
167.07050	2.0
173.04501	1.7
175.71432	1.2
179.03352	1.1
179.05528	4.2
179.59401	1.5
184.50618	1.1
187.74156	1.2
191.05501	10.1
193.03346	2.1
193.04982	26.7
194.05502	1.8
216.64948	1.2
242.32977	1.2
355.10223	3.5
373.06644	1.9
373.11404	37.2
374.11624	4.5
491.19443	1.7
492.19644	3.4
493.19693	4.6
497.12912	1.7
504.19260	2.9
505.19662	3.1
523.20618	2.2
729.22394	100.0
730.22595	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	729.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	0.6
57.03320	1.1
58.00460	2.6
58.53042	0.5
59.01252	57.3
59.29934	0.5
60.39885	0.5
60.99175	0.8
61.98704	1.4
67.01753	4.1
68.99687	4.9
69.03329	74.8
69.95010	2.7
70.03658	1.4
71.01254	41.8
72.01618	0.8
72.99191	3.7
73.02827	3.0
75.00765	0.6
79.01755	1.2
83.01245	2.7
85.02824	10.1
87.00763	5.5
89.02322	42.6
93.03339	19.1
94.03664	0.7
95.01266	5.6
95.04901	3.2
96.95869	0.7
97.02831	83.7
98.03165	1.6
98.20444	0.8
101.02323	23.9
103.05437	1.6
105.03345	3.9
105.06982	0.8
106.04127	1.1
107.04911	1.8
108.02047	1.3
109.02855	1.2
111.00777	1.5
111.04414	1.1
113.02328	20.3
116.76350	0.6
119.03399	13.8
119.04826	3.4
121.02850	12.7
121.06473	6.7
123.00775	1.2
123.04410	24.4
124.04723	0.7
127.03967	0.9
131.03439	1.4
131.04918	2.9
134.03621	1.7
135.04393	1.7
137.02339	2.3
139.03937	0.7
141.01834	5.4
143.03378	2.2
147.04416	2.6
149.01239	0.9
149.02373	14.2
149.05986	36.1
150.06345	1.1
151.03894	1.3
155.03406	1.2
161.02423	0.6
161.04477	2.0
161.05933	1.2
163.03912	2.2
165.01845	1.9
165.05487	1.6
167.03439	1.0
167.07074	5.1
175.03917	2.7
179.03442	1.5
179.05515	6.3
179.06992	1.2
183.02914	1.7
189.05563	1.1
191.03513	1.7
191.05530	13.0
191.07135	1.3
192.05812	0.7
193.04993	58.8
194.05336	2.6
207.06613	1.1
235.06003	0.6
249.75946	0.6
269.04407	0.7
285.06219	0.6
335.11420	0.9
353.08859	1.4
355.10345	19.9
355.14722	1.3
356.10541	1.5
373.11401	70.6
374.11755	5.7
443.11707	1.4
497.13010	4.1
498.13406	1.0
549.16235	3.2
567.18182	0.7
729.22321	100.0
730.22632	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	729.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13728	2.0
58.00443	2.5
59.01252	43.7
65.29515	2.1
68.99670	4.3
69.03325	46.7
70.64535	3.6
71.01257	25.7
74.34764	1.9
81.34665	2.0
85.02835	4.8
87.00741	6.8
89.02319	29.9
93.03324	11.8
95.01252	3.2
97.02827	56.9
101.02321	16.5
105.03340	3.3
113.02328	11.3
113.30759	2.1
119.03389	10.3
119.04909	2.9
121.02802	6.0
123.00759	4.4
123.04408	21.5
134.03629	2.2
141.01833	5.5
149.02328	8.2
149.05971	19.1
161.04503	2.2
165.05417	2.4
167.07004	2.1
179.05615	9.1
183.02888	6.4
191.05521	5.2
193.04973	26.7
236.07663	2.2
355.10303	7.5
373.11386	43.7
374.11847	2.6
415.12183	3.6
453.14322	2.3
557.31750	2.1
729.22382	100.0
730.22943	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	729.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	0.6
57.03320	1.1
58.00460	2.6
58.53042	0.5
59.01252	57.3
59.29934	0.5
60.39885	0.5
60.99175	0.8
61.98704	1.4
67.01753	4.1
68.99687	4.9
69.03329	74.8
69.95010	2.7
70.03658	1.4
71.01254	41.8
72.01618	0.8
72.99191	3.7
73.02827	3.0
75.00765	0.6
79.01755	1.2
83.01245	2.7
85.02824	10.1
87.00763	5.5
89.02322	42.6
93.03339	19.1
94.03664	0.7
95.01266	5.6
95.04901	3.2
96.95869	0.7
97.02831	83.7
98.03165	1.6
98.20444	0.8
101.02323	23.9
103.05437	1.6
105.03345	3.9
105.06982	0.8
106.04127	1.1
107.04911	1.8
108.02047	1.3
109.02855	1.2
111.00777	1.5
111.04414	1.1
113.02328	20.3
116.76350	0.6
119.03399	13.8
119.04826	3.4
121.02850	12.7
121.06473	6.7
123.00775	1.2
123.04410	24.4
124.04723	0.7
127.03967	0.9
131.03439	1.4
131.04918	2.9
134.03621	1.7
135.04393	1.7
137.02339	2.3
139.03937	0.7
141.01834	5.4
143.03378	2.2
147.04416	2.6
149.01239	0.9
149.02373	14.2
149.05986	36.1
150.06345	1.1
151.03894	1.3
155.03406	1.2
161.02423	0.6
161.04477	2.0
161.05933	1.2
163.03912	2.2
165.01845	1.9
165.05487	1.6
167.03439	1.0
167.07074	5.1
175.03917	2.7
179.03442	1.5
179.05515	6.3
179.06992	1.2
183.02914	1.7
189.05563	1.1
191.03513	1.7
191.05530	13.0
191.07135	1.3
192.05812	0.7
193.04993	58.8
194.05336	2.6
207.06613	1.1
235.06003	0.6
249.75946	0.6
269.04407	0.7
285.06219	0.6
335.11420	0.9
353.08859	1.4
355.10345	19.9
355.14722	1.3
356.10541	1.5
373.11401	70.6
374.11755	5.7
443.11707	1.4
497.13010	4.1
498.13406	1.0
549.16235	3.2
567.18182	0.7
729.22321	100.0
730.22632	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	729.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	0.6
61.98692	0.5
65.00193	5.0
67.01755	0.3
68.99680	0.2
70.27476	0.4
70.27879	0.4
71.01241	0.6
78.95766	0.5
83.01247	1.9
85.02824	0.7
87.00773	0.2
89.02312	0.2
93.03336	1.3
96.95887	5.9
96.96835	0.3
101.02281	0.5
105.03333	0.2
107.01275	5.0
109.16286	0.2
111.04366	0.3
115.00226	0.2
116.92711	0.2
121.02831	0.2
125.02367	0.3
125.33631	0.2
127.03906	0.3
133.02852	0.3
135.04384	0.4
137.02409	0.2
149.02318	0.5
151.00262	11.2
152.00591	0.5
152.99416	0.2
155.03401	0.3
159.31535	0.2
167.04950	0.2
173.04480	1.5
179.03427	0.2
191.05531	5.7
192.05908	0.2
199.03889	0.3
209.11702	0.4
211.04004	0.4
227.03482	0.8
228.04111	0.2
239.03322	0.4
240.04184	0.7
255.02954	7.7
256.03687	4.7
257.04041	0.5
267.03012	1.0
268.03726	3.9
269.04504	0.9
283.02463	3.1
284.03235	5.4
285.03964	3.1
297.03873	0.6
299.02032	0.3
329.13989	0.4
357.15427	0.3
371.14941	1.9
383.05594	2.4
399.05090	0.7
401.06522	0.4
415.08286	0.6
425.06787	0.6
427.04456	1.2
467.08026	0.4
491.07434	0.5
499.10239	1.2
507.06903	0.3
508.08249	0.3
523.10175	0.3
533.04907	0.3
535.06665	15.5
536.07062	3.1
551.06036	1.1
552.06958	1.7
567.09277	100.0
568.09607	16.4
579.05823	0.5
591.08746	0.3
609.10291	0.3
719.77283	0.2
729.15112	1.3
729.26794	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.3185
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	2.4
58.00462	4.6
59.01251	100.0
60.99173	1.5
61.98707	8.8
65.00198	1.4
65.03844	1.4
67.01774	1.8
68.99687	21.1
69.03333	8.8
70.34837	1.0
71.01254	79.4
72.99191	7.2
73.02802	6.9
75.00737	2.2
78.95764	1.6
83.01237	5.5
83.04900	1.8
85.02822	20.7
87.00740	5.6
89.02315	87.3
90.02668	1.2
91.01784	4.2
93.03342	16.7
95.01273	7.8
96.95885	1.8
97.02833	1.5
98.19817	1.7
99.00791	3.0
101.02323	69.2
107.04910	11.5
109.84228	1.0
111.00754	1.6
111.04415	1.3
113.02327	35.6
119.01383	1.2
119.03387	32.9
119.04846	1.7
121.02838	24.4
121.06484	4.4
123.04424	1.1
125.02386	1.9
126.44608	0.9
127.03976	1.2
129.01793	2.0
131.03430	3.9
133.02847	1.7
134.03636	2.0
135.04443	6.2
136.01619	1.6
136.04753	1.3
137.02383	1.5
143.03404	7.4
143.04825	1.5
145.02797	1.0
145.06511	2.9
147.04437	6.4
149.02303	2.3
149.04428	2.1
151.03955	5.7
153.05478	12.0
159.02925	2.1
161.02357	2.1
161.04485	11.5
161.05911	1.6
163.03905	4.3
163.07558	1.9
165.01874	2.6
165.05576	1.5
171.04443	3.4
173.04446	4.5
173.05994	7.6
177.03981	2.1
179.03409	18.0
179.05525	12.1
179.07010	1.8
181.08644	3.2
187.07561	3.0
189.05540	2.7
191.05528	20.5
191.07062	2.4
192.05879	2.7
195.06662	1.3
199.03943	1.1
203.07082	1.6
205.08694	2.9
207.06674	2.5
209.11813	8.2
212.13564	1.2
217.05048	4.1
221.08023	1.8
227.12791	2.1
231.06557	8.8
231.10304	1.4
235.06062	2.5
249.07591	4.9
253.09172	1.8
263.16434	1.7
281.17664	1.6
283.02640	1.8
285.03922	1.4
309.09644	2.9
315.18066	2.3
320.29480	1.1
341.04977	2.1
341.08771	18.3
342.09164	1.3
411.12927	4.9
429.13962	8.3
463.23550	13.7
464.23737	1.2
495.22357	89.4
496.22635	12.5
515.22784	3.5
529.24268	2.3
533.23871	1.5
547.25458	3.5
564.21631	1.3
565.27246	16.0
566.26965	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	727.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87630	0.3
57.03310	0.3
57.84864	0.3
59.01244	2.2
60.99169	0.7
61.98733	0.3
64.18268	0.3
64.73866	0.3
67.01757	1.1
68.99674	0.5
69.03346	1.5
71.01266	2.0
71.51150	0.6
72.99131	0.4
73.02830	0.7
74.98975	0.7
81.03303	0.5
83.04900	0.7
85.02827	6.1
87.00748	2.8
88.98678	1.2
89.02315	1.4
93.03331	9.1
97.02819	0.7
101.02316	0.9
109.02834	1.1
111.00771	0.6
111.04401	1.5
113.02332	0.5
121.02831	0.8
127.03861	1.5
133.02869	1.8
135.04417	7.2
136.04767	0.4
137.02365	0.8
149.02309	0.6
150.03093	0.6
153.01913	0.5
153.05429	0.5
155.03351	0.8
156.00536	2.1
161.02357	4.8
165.05495	0.6
171.02931	0.5
173.04477	3.9
174.01546	0.4
177.01897	0.5
179.03381	5.9
191.05534	100.0
192.05829	4.1
195.06647	0.7
341.10178	0.4
353.08759	12.7
354.09201	1.4
368.08618	0.4
371.14813	0.5
400.11099	0.5
429.14069	0.4
473.13312	0.5
515.13153	0.4
535.19775	0.5
536.73724	0.4
571.16656	1.4
727.28424	8.4
728.29193	2.1
732.27618	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08441	0.9
59.01246	8.3
61.98708	6.8
67.01711	1.5
68.99676	3.1
69.03322	2.0
71.01260	6.6
72.00780	2.2
74.02347	1.8
76.63807	1.2
78.95779	4.3
81.03333	1.6
83.01229	1.1
85.02798	3.9
85.07473	1.1
87.00740	2.1
89.02327	1.6
93.03333	6.2
94.02905	1.3
95.01249	0.9
96.95901	9.7
97.06425	1.4
98.20549	3.1
99.01866	1.3
100.00285	7.0
101.02319	2.2
109.06443	1.1
111.04427	1.9
113.02319	1.0
116.04945	11.1
121.10172	1.0
122.02367	1.5
133.02861	1.1
134.73143	1.0
135.04448	5.0
136.04697	1.2
137.02312	1.4
142.05722	1.0
142.06519	10.9
151.74033	1.1
152.99469	1.3
155.03362	1.8
157.07611	1.2
157.73230	1.0
161.02303	1.5
166.06471	1.4
167.03571	1.1
167.06013	3.3
171.10211	1.1
173.04471	5.0
177.01866	1.1
178.02678	1.8
179.03398	3.0
181.07509	1.3
186.05484	6.1
191.05534	26.1
192.05931	2.0
193.06047	1.5
193.07593	2.4
203.08273	5.3
209.07135	5.1
209.11777	14.1
211.03949	1.3
211.13350	1.5
217.07779	2.0
219.09216	3.8
220.06287	2.9
221.07219	2.1
225.11282	2.2
229.06131	10.2
234.07999	1.1
235.08708	11.3
237.06615	3.2
237.10303	16.2
247.08739	23.8
248.05882	1.3
248.09116	1.7
249.06641	1.8
249.10204	4.1
251.08182	2.8
253.09294	2.5
263.08218	15.8
263.16647	1.6
265.09799	49.4
266.10086	3.8
281.17575	4.0
285.03827	1.9
289.13528	1.8
291.07767	21.8
292.08084	1.9
304.10852	6.1
317.12985	5.5
322.11966	1.3
343.10696	3.0
348.09903	2.5
361.11902	1.9
366.10852	1.4
371.14954	1.2
397.12799	1.1
431.90900	1.2
467.17017	5.3
477.15826	1.5
495.16705	34.9
496.17062	4.3
519.21222	1.1
537.17517	1.5
547.19836	3.7
565.21381	5.3
691.30261	2.0
727.26129	100.0
728.26233	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	727.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
59.21204	0.6
71.13120	1.5
85.02811	5.2
87.00715	1.0
88.22911	0.7
93.03329	2.0
111.04355	0.9
124.81049	0.7
126.66226	0.7
127.03915	1.2
133.02870	0.8
135.04405	1.3
152.03287	0.8
161.02316	2.2
164.88997	0.7
173.04478	2.0
179.03380	0.7
191.05530	100.0
192.05844	4.8
330.34500	1.0
353.08713	14.8
354.09076	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	0.6
59.01252	1.4
60.99158	1.7
67.01759	4.0
69.03322	1.2
71.01251	1.6
74.21394	0.3
81.03330	0.8
83.04910	0.7
85.02818	5.1
87.00744	6.5
89.02333	0.4
93.03333	27.2
94.03675	1.1
95.61327	0.3
97.02839	0.4
99.00754	0.8
99.04382	0.6
100.04720	0.3
101.02310	0.6
109.02816	1.0
111.04408	3.8
113.02359	0.4
113.26133	0.3
117.03355	1.0
117.21293	0.3
121.02841	0.3
123.04385	0.4
127.03887	1.4
129.01846	0.7
134.03625	7.9
134.04637	0.4
135.04308	0.6
137.02315	0.5
149.05946	0.6
155.03400	0.9
160.01523	0.5
173.04478	7.5
173.92108	0.3
175.03925	0.9
178.02771	0.3
179.03415	0.5
191.05533	100.0
192.05862	3.5
193.04965	3.8
269.07022	0.4
297.68860	0.4
353.08099	0.4
367.10306	28.3
368.10709	2.8
457.15909	0.3
725.21393	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	2.5
57.03318	8.0
59.01249	37.0
60.41884	0.9
67.01760	3.3
68.99688	2.3
69.03338	8.2
70.36185	3.7
70.36556	1.8
71.01255	20.9
72.99175	2.8
73.02810	13.5
78.11829	1.0
81.03323	5.6
83.01263	5.4
83.04899	3.1
85.02820	58.8
86.03165	1.4
87.00748	100.0
88.01081	1.4
89.02283	1.1
93.03333	8.1
95.01257	22.4
97.02823	29.7
99.00726	2.7
99.04387	4.1
101.02345	2.2
103.03884	11.4
108.02065	2.3
109.02824	9.4
111.00751	6.5
111.04431	2.2
113.02331	18.1
115.00252	10.9
121.02847	1.4
123.04427	1.0
125.02326	2.2
127.03912	17.1
129.01817	1.4
129.09630	1.1
131.25394	1.0
137.02335	3.8
139.00272	14.2
141.05479	1.7
145.04977	9.5
149.02345	1.9
149.06129	1.2
151.03951	1.5
151.55769	1.0
153.66193	1.1
155.03374	4.4
157.01315	8.5
167.03459	1.2
169.04944	5.2
171.02916	2.1
173.04453	3.1
175.02397	60.5
176.02724	2.0
179.03464	1.4
181.01303	1.6
191.05560	7.5
199.02409	40.5
200.02766	1.4
203.92676	1.1
217.03470	21.2
241.03415	1.4
285.06073	2.6
303.07144	17.3
321.08282	8.3
345.08301	9.3
385.11276	2.5
387.09344	20.6
388.09375	2.1
405.10385	7.7
413.80847	1.1
494.72299	1.3
521.11578	1.7
563.12366	2.6
623.14526	8.4
667.17230	2.1
685.18097	1.9
709.18311	18.0
710.18658	3.7
727.19153	19.1
728.18939	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	725.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92915	0.3
59.01245	1.6
63.02277	1.5
65.00211	1.3
67.01757	0.7
69.03312	0.6
81.03349	0.3
83.01261	1.3
85.02831	1.6
87.00751	1.4
88.01151	0.3
89.02322	0.8
93.03344	3.9
94.03663	0.7
96.95895	0.7
101.02313	0.8
105.03365	0.7
107.01261	3.0
109.02842	1.1
111.00777	0.5
113.02326	0.4
114.28239	0.3
114.38702	0.4
119.04942	0.4
121.02819	1.3
123.04411	0.5
125.02372	0.6
127.03883	0.5
132.02106	0.4
133.02844	6.7
134.03619	0.7
135.04424	1.3
143.04967	0.4
149.02361	2.2
149.99406	0.4
150.03160	0.3
151.00282	5.5
151.03822	0.3
163.03845	0.7
169.06578	0.3
171.04390	0.6
173.04523	2.3
175.03955	3.1
177.01862	0.6
178.02631	0.4
179.03250	0.4
185.05939	0.8
187.03909	0.5
191.05554	19.4
192.05899	1.4
197.06079	0.5
198.03207	0.4
199.03928	2.4
201.01924	0.5
211.04036	0.9
212.04707	0.4
213.05568	1.2
215.03424	0.8
217.05000	0.9
227.03406	1.3
239.03468	0.6
241.05014	1.1
243.02902	0.9
255.02974	1.4
256.03711	3.8
257.04404	0.7
257.08310	0.5
267.02924	0.5
283.02411	0.7
283.96631	0.5
284.03256	59.5
285.04013	100.0
286.04373	8.4
297.04132	0.4
309.03983	0.6
327.04898	0.7
328.05621	0.4
337.09265	0.7
353.08612	0.9
447.09399	0.4
545.15704	1.0
551.17145	0.6
579.13263	0.6
593.15021	1.5
594.15527	0.6
692.71124	0.4
725.19299	84.8
726.19598	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	723.4323
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.5
58.00482	0.3
59.01247	5.2
59.07575	0.2
63.47107	0.2
71.01250	3.5
72.99185	0.3
73.02808	1.0
74.09164	0.2
78.95775	1.0
80.02554	0.8
80.66785	0.2
81.03317	0.8
83.01255	0.5
83.04891	3.4
84.02047	0.6
85.02824	1.0
85.99960	0.2
87.00752	1.2
89.02312	1.9
93.03337	0.2
95.01212	0.2
95.04901	0.5
97.02843	0.4
97.06467	0.2
98.20566	0.5
99.00768	0.3
101.02314	3.3
109.06471	0.4
111.00916	0.2
113.02331	1.7
119.03397	0.7
125.02308	0.2
125.05995	0.4
125.09605	0.2
132.27628	0.2
133.04958	0.2
135.08080	0.4
143.03394	0.2
145.04974	0.8
152.99496	1.2
161.04488	1.4
163.11189	2.9
165.12753	1.7
171.10291	0.3
177.08919	0.2
179.05544	0.2
181.12267	0.5
191.10735	0.8
209.11765	73.8
210.12105	4.2
225.11198	0.2
227.12840	8.6
228.13132	0.3
233.22554	0.2
235.08179	5.1
236.08496	0.2
249.18556	0.5
253.09250	9.1
253.21628	0.2
254.09544	0.3
255.23390	0.2
259.20428	0.3
277.21704	100.0
278.22055	8.4
445.20718	0.4
469.14758	0.7
593.72034	0.2
705.35718	1.0
706.36395	0.4
723.38354	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4322
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	2.9
61.98672	0.2
69.56762	1.3
71.01250	2.1
72.99184	0.2
73.02820	0.4
78.95782	0.4
80.02552	1.0
81.03330	1.4
83.01248	0.5
83.04894	4.3
84.02032	0.6
85.02808	0.5
87.00732	0.4
89.02311	2.1
90.93992	0.2
95.01229	0.2
95.04908	0.9
97.02842	0.4
97.06487	0.2
98.53679	0.2
101.02325	2.3
108.78525	0.2
109.06461	0.3
113.02344	1.0
119.03415	0.5
125.05995	0.5
126.53912	0.2
135.08046	0.5
136.17616	0.2
145.04933	0.2
147.11766	0.2
161.04449	0.7
163.11194	3.8
165.12759	2.1
166.13249	0.3
179.05498	0.4
181.12234	0.8
191.10675	0.9
207.10265	0.2
209.11761	100.0
210.12100	5.7
227.12833	10.0
228.13153	0.6
230.99985	0.2
235.08180	1.2
253.09267	7.3
254.09724	0.3
277.21701	47.3
278.22046	4.0
279.22818	0.3
309.07385	0.2
354.90518	0.2
403.29022	0.2
445.20767	0.8
463.21811	0.2
481.25366	0.2
516.89404	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3599
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	79.7
61.98692	5.2
67.01752	1.9
68.99686	16.6
69.03325	5.1
71.01245	11.5
71.50020	2.6
78.95777	6.3
85.02821	2.2
89.02309	8.9
95.01272	20.9
97.02769	2.3
97.06408	1.5
99.04436	1.4
101.02322	45.6
111.87751	1.7
113.02340	9.5
119.03371	3.8
121.02828	9.9
123.04407	39.4
131.93077	1.2
149.02362	2.1
152.99469	2.9
155.03406	65.4
156.03671	1.7
161.04407	2.1
175.03929	2.0
179.05513	3.1
181.05019	2.2
191.05463	5.6
195.13826	4.8
203.14485	1.6
205.04089	1.4
209.04503	6.1
209.11766	5.2
223.13274	4.3
225.07642	16.8
275.20068	3.6
277.21643	2.5
293.21216	100.0
294.21515	8.8
307.22760	1.8
314.24045	1.4
317.21106	13.4
318.21283	1.5
329.21182	2.6
335.22168	3.9
347.22217	2.3
397.13135	1.8
544.97034	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	723.302
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	1.2
63.02283	0.7
65.00217	0.9
70.26867	0.8
76.42664	0.2
77.94605	0.2
78.95774	1.3
79.95229	0.3
83.01248	0.5
88.18139	0.3
93.03304	0.3
98.20454	0.3
99.75675	0.2
105.03426	0.3
107.01262	1.6
109.02847	0.5
111.00639	0.3
121.02836	0.3
127.17274	0.3
128.70663	0.3
133.02827	3.6
134.03593	0.4
135.03232	0.2
135.04335	0.4
137.36150	0.2
149.02357	1.0
151.00256	3.6
152.99510	0.6
175.03940	1.8
180.01778	0.3
185.06010	0.3
186.93138	0.3
187.03911	0.3
191.05496	1.1
198.03120	0.3
199.03970	1.6
200.04576	0.4
207.10353	0.3
211.04004	0.5
212.04483	0.3
217.04961	0.9
227.03448	1.0
239.03497	0.4
239.45412	0.3
241.05046	0.8
243.02942	0.5
255.02942	2.8
256.03708	2.2
257.04263	0.4
264.84171	0.3
267.02939	0.3
271.87338	0.3
277.21753	0.3
283.02438	1.7
284.03250	37.3
285.04013	100.0
286.04370	6.7
297.04010	0.6
313.03601	1.4
327.05106	0.9
429.08392	0.7
446.08398	0.3
447.09375	0.4
488.09540	0.7
501.10480	0.8
515.11511	0.4
585.19122	0.4
587.71167	0.3
625.23083	1.9
626.22626	0.6
723.30133	56.0
724.30493	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	723.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03304	0.8
59.01240	3.6
60.99175	2.2
61.98714	1.1
67.01758	10.6
69.03338	3.7
71.01253	5.0
71.31413	1.2
73.02807	1.0
81.03330	2.0
83.04893	1.9
85.02821	9.3
87.00740	11.6
89.02321	0.8
90.56872	0.7
93.03330	70.8
94.03683	3.2
99.00757	1.6
99.04420	1.7
101.02307	1.8
105.03326	1.2
107.04910	0.9
108.02046	1.4
109.02848	6.0
111.04401	9.3
113.02317	1.0
121.02887	1.3
123.04447	0.8
124.01527	1.5
127.03877	2.3
129.01793	1.1
132.02063	2.8
133.02843	13.8
134.03633	3.5
135.04405	37.8
136.04752	1.3
137.02357	4.0
149.02356	1.0
150.03114	2.5
151.03882	3.5
155.03365	3.2
156.00551	0.8
160.01570	7.7
161.02315	5.5
173.04465	23.7
174.04832	1.4
177.01802	4.8
178.02620	2.7
179.03416	14.2
187.09750	0.7
191.05531	100.0
192.05812	3.7
215.05531	9.5
285.04111	0.8
307.08258	2.8
308.08890	2.8
311.10278	0.9
325.14447	1.0
325.20160	1.0
327.54111	0.9
351.07175	34.8
352.07822	9.0
353.08749	4.7
369.13394	3.3
394.08978	6.6
395.09747	4.9
561.19696	90.3
562.20154	15.0
603.20764	5.0
637.12195	0.9
637.76288	0.9
645.23004	0.8
723.24939	24.4
724.25073	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	723.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	0.2
59.01244	0.9
61.98697	0.5
67.01744	0.8
69.03327	0.2
69.43842	1.2
71.01252	0.9
73.02820	0.3
78.15234	0.2
81.03335	0.2
83.04890	0.4
85.02818	5.5
86.03133	0.2
87.00758	1.8
89.02342	0.2
91.71252	0.1
93.03333	5.7
93.03923	0.3
94.03634	0.1
96.95876	0.2
99.04385	0.2
101.02337	0.3
109.02857	0.5
111.04397	1.1
113.02274	0.2
116.92754	0.2
127.03897	1.8
133.02837	1.0
135.04420	4.3
136.04742	0.3
137.02370	0.3
145.02846	0.2
149.02383	0.2
150.03157	0.4
151.03944	0.3
155.03415	0.4
161.02350	4.0
162.02730	0.2
165.05469	0.6
171.02899	0.4
173.04474	1.9
179.03421	3.3
191.05533	100.0
192.05858	3.9
195.06471	0.2
236.65816	0.1
291.12225	0.2
335.07697	0.3
353.08746	11.5
354.09247	0.9
399.16357	0.2
407.93304	0.1
513.50916	0.2
549.19519	0.4
561.19788	0.6
562.19434	0.2
723.24945	7.5
724.25336	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	723.251
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	1.8
57.03316	1.9
58.00468	4.0
59.01250	83.9
60.01583	1.8
61.98684	2.2
67.01763	1.1
68.99686	2.1
69.03322	11.7
70.49536	2.9
71.01251	52.5
72.01590	1.1
72.99196	4.3
73.02815	2.5
73.57141	0.8
83.01259	4.9
85.02822	17.6
87.00740	5.7
89.02314	48.9
93.03334	16.1
95.01261	5.8
95.04890	6.5
96.95878	2.1
99.00746	1.7
101.02324	34.1
109.02816	2.1
111.00793	1.4
113.02336	22.0
119.03391	22.1
119.04911	2.9
121.02848	41.9
121.06455	4.5
122.03172	1.6
123.04404	2.7
125.02361	1.0
129.01848	1.1
129.06993	2.7
130.04121	2.3
131.03366	1.9
131.04918	1.6
133.02838	1.0
135.04388	3.9
137.02315	0.9
137.05977	0.8
139.03894	2.2
143.03365	4.9
143.05031	1.0
145.06482	6.8
147.04413	3.7
147.08057	10.3
148.05200	100.0
149.02373	1.8
149.04402	1.3
149.05785	6.7
149.97198	0.9
151.03831	1.2
158.03639	1.5
161.02411	1.0
161.04448	6.6
161.05954	4.3
163.03935	2.5
163.07558	57.5
164.07861	2.7
165.01857	7.5
165.05429	1.3
165.09053	1.6
173.04466	2.4
173.05946	12.3
177.01891	1.1
178.42509	0.8
179.03539	1.5
179.05504	9.5
181.08563	1.4
189.05481	8.2
191.05495	12.9
191.07076	17.2
207.02834	1.3
209.08153	4.0
215.07027	1.9
217.05013	5.4
229.07014	1.9
233.08163	1.7
235.06027	1.1
245.25032	0.7
273.07651	0.9
277.07031	1.0
282.79990	0.9
283.08255	3.4
285.03888	1.1
301.07144	1.8
305.10397	0.7
319.08200	2.4
327.07108	3.5
335.11395	4.0
337.09201	1.3
353.08267	0.9
353.12436	1.8
371.13516	9.4
379.10321	1.2
397.11368	8.5
398.11798	0.9
415.12463	2.8
439.12311	1.1
444.79175	0.8
447.10242	1.5
447.16510	10.0
448.16208	1.0
457.13785	3.6
491.15747	10.6
499.20096	1.2
517.20752	1.5
543.18719	8.9
544.19257	1.2
559.16687	5.6
560.16614	1.6
723.25006	83.3
724.25293	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	723.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.6
57.03331	2.3
58.00470	6.2
59.01251	99.8
60.09690	0.9
61.98691	2.2
65.03842	1.0
67.01758	3.1
68.99676	2.2
69.03322	14.3
71.01254	69.5
72.99177	6.4
73.02825	3.3
74.77739	0.8
83.01261	5.2
85.02826	23.0
87.00742	7.1
89.02319	60.6
91.01754	1.2
93.02772	1.3
93.03334	17.7
94.03654	1.4
95.01285	5.8
95.04899	6.1
97.02834	1.6
99.00745	1.5
101.02326	38.2
107.04890	1.3
109.02818	3.0
111.00733	1.4
113.02335	28.3
117.06971	1.3
119.02588	1.8
119.03394	27.0
119.04871	3.7
119.08587	1.1
121.02846	49.4
121.06461	3.4
123.04386	3.2
125.02313	1.2
127.03903	1.6
129.01817	1.4
129.06992	3.0
130.04111	2.7
131.03394	2.3
131.04916	1.9
135.04417	5.8
136.01569	1.4
139.03932	1.7
143.03392	6.3
143.04959	1.3
145.06503	10.0
146.03558	1.0
147.04437	4.8
147.08066	13.4
148.05203	100.0
149.02309	1.3
149.04468	1.2
149.05809	6.5
150.03175	1.4
155.03343	1.6
158.03627	1.3
159.02902	1.2
161.02345	2.2
161.04446	9.9
161.05963	5.3
163.03853	3.3
163.07561	66.6
164.07907	5.0
165.01846	8.9
165.05385	1.6
165.09030	1.6
173.04497	2.5
173.05998	15.7
174.04808	1.0
174.06404	1.1
179.03444	3.3
179.05528	12.1
187.07515	2.4
189.05504	8.4
191.05493	14.4
191.07077	18.5
207.02946	1.9
209.08102	5.0
215.07141	1.9
217.04976	5.5
229.07082	1.8
229.27113	0.9
233.08122	2.1
235.05952	1.3
259.06107	1.6
273.07693	1.6
277.07272	1.1
283.08273	4.3
294.36908	1.0
301.07086	2.1
319.08160	2.1
325.20139	2.9
327.07239	4.5
335.11365	4.0
353.12390	2.1
371.13446	10.6
379.10599	1.8
379.14929	0.9
397.11481	8.6
398.11627	1.9
406.94910	1.1
415.12122	4.2
439.12396	1.4
447.16666	12.1
457.13580	3.6
458.13437	1.0
483.77863	1.0
491.15649	11.5
492.15976	1.5
499.13791	1.5
499.20261	1.4
543.18793	11.0
559.16571	5.7
588.33795	1.1
723.25006	90.3
724.25275	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	723.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88519	0.9
59.01246	20.3
60.99182	4.8
63.26439	1.0
67.01758	16.3
68.95728	1.0
69.03325	12.9
70.62390	1.0
71.01259	9.5
71.50816	1.7
72.99177	2.2
73.02804	3.1
81.03337	2.8
83.04879	2.1
84.04422	2.3
85.02831	8.0
87.00748	16.4
89.02320	3.1
93.03329	100.0
94.03665	2.3
95.04933	1.1
96.95892	2.4
97.02811	1.6
99.00771	2.8
99.04402	1.4
101.02313	5.7
105.03339	1.4
106.98012	0.9
109.02822	3.2
111.04391	14.8
113.02309	2.5
115.03891	1.4
123.04401	1.2
124.07552	1.7
125.02311	1.1
127.03939	1.7
128.03398	6.2
129.01851	2.0
133.02846	11.1
134.03629	3.4
135.04413	15.0
137.02344	4.5
139.03864	1.1
146.05969	1.8
148.03940	2.1
155.03445	4.1
160.01588	2.6
161.02335	3.2
163.83348	1.0
166.05092	1.8
173.04466	46.0
174.05093	1.0
177.01825	4.0
178.02611	2.9
178.08653	2.9
179.03383	9.3
191.05536	50.2
193.04976	3.8
204.10306	1.0
206.08157	1.8
208.09767	2.1
210.04053	2.3
213.33786	1.2
215.05530	3.7
220.03891	1.0
225.19527	1.0
249.13362	2.8
291.13721	1.6
307.08054	1.3
335.12479	6.2
336.10864	14.1
351.07162	13.4
352.07739	2.4
367.10287	12.8
369.09766	4.1
370.63406	1.1
411.11087	1.2
531.14795	1.5
543.15027	51.5
544.15045	7.3
723.21259	24.9
724.21368	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	723.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88519	0.9
59.01246	20.3
60.99182	4.8
63.26439	1.0
67.01758	16.3
68.95728	1.0
69.03325	12.9
70.62390	1.0
71.01259	9.5
71.50816	1.7
72.99177	2.2
73.02804	3.1
81.03337	2.8
83.04879	2.1
84.04422	2.3
85.02831	8.0
87.00748	16.4
89.02320	3.1
93.03329	100.0
94.03665	2.3
95.04933	1.1
96.95892	2.4
97.02811	1.6
99.00771	2.8
99.04402	1.4
101.02313	5.7
105.03339	1.4
106.98012	0.9
109.02822	3.2
111.04391	14.8
113.02309	2.5
115.03891	1.4
123.04401	1.2
124.07552	1.7
125.02311	1.1
127.03939	1.7
128.03398	6.2
129.01851	2.0
133.02846	11.1
134.03629	3.4
135.04413	15.0
137.02344	4.5
139.03864	1.1
146.05969	1.8
148.03940	2.1
155.03445	4.1
160.01588	2.6
161.02335	3.2
163.83348	1.0
166.05092	1.8
173.04466	46.0
174.05093	1.0
177.01825	4.0
178.02611	2.9
178.08653	2.9
179.03383	9.3
191.05536	50.2
193.04976	3.8
204.10306	1.0
206.08157	1.8
208.09767	2.1
210.04053	2.3
213.33786	1.2
215.05530	3.7
220.03891	1.0
225.19527	1.0
249.13362	2.8
291.13721	1.6
307.08054	1.3
335.12479	6.2
336.10864	14.1
351.07162	13.4
352.07739	2.4
367.10287	12.8
369.09766	4.1
370.63406	1.1
411.11087	1.2
531.14795	1.5
543.15027	51.5
544.15045	7.3
723.21259	24.9
724.21368	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	723.214
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	0.7
59.01246	4.9
60.99186	2.0
61.98699	0.5
63.25232	0.5
67.01761	6.1
69.03337	2.2
71.01256	5.1
71.09013	1.3
73.02845	1.0
73.28139	0.5
81.03332	1.6
83.04910	1.6
85.02822	11.2
85.46915	0.5
87.00754	9.9
89.02300	1.3
93.03336	43.4
94.03687	1.2
95.01256	0.9
96.95900	1.4
98.95481	0.5
99.00756	1.4
99.04388	1.6
99.23109	0.5
101.02340	2.0
105.03365	1.5
109.02838	4.4
111.00719	0.7
111.04396	6.2
113.02323	1.9
119.04917	1.0
121.02895	0.7
127.03909	3.1
132.02063	7.5
133.02853	15.1
134.03629	2.1
135.04416	14.3
136.04732	0.7
137.02339	2.5
139.00356	0.7
143.03366	0.7
150.03172	1.0
151.03889	1.2
153.01828	0.7
153.05519	0.7
155.03419	3.1
160.01573	18.1
161.02332	6.7
161.04448	0.7
163.03984	0.7
164.31149	0.5
171.02890	1.0
173.04478	22.4
174.04730	1.2
175.03773	0.7
176.04625	0.7
177.01898	5.4
177.05386	0.6
178.02663	2.6
179.03426	7.9
179.05048	0.7
179.05644	0.6
185.02399	1.7
191.05540	100.0
192.04262	1.2
192.05890	5.0
193.04959	6.3
195.02893	0.8
203.03362	0.6
215.05539	7.0
220.03749	1.6
307.08203	1.0
335.12466	1.4
351.07138	20.3
352.07663	2.1
353.08661	0.8
367.10342	7.4
368.10858	0.8
369.09732	7.0
370.10080	0.7
411.10873	5.0
412.11124	0.8
414.46353	0.6
463.12192	0.7
471.12567	0.8
481.98376	0.6
531.15173	12.4
532.15399	2.0
543.15045	21.7
544.15399	3.3
549.16125	1.4
695.77484	0.7
705.15430	0.6
723.21393	35.3
724.21600	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	723.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88519	0.9
59.01246	20.3
60.99182	4.8
63.26439	1.0
67.01758	16.3
68.95728	1.0
69.03325	12.9
70.62390	1.0
71.01259	9.5
71.50816	1.7
72.99177	2.2
73.02804	3.1
81.03337	2.8
83.04879	2.1
84.04422	2.3
85.02831	8.0
87.00748	16.4
89.02320	3.1
93.03329	100.0
94.03665	2.3
95.04933	1.1
96.95892	2.4
97.02811	1.6
99.00771	2.8
99.04402	1.4
101.02313	5.7
105.03339	1.4
106.98012	0.9
109.02822	3.2
111.04391	14.8
113.02309	2.5
115.03891	1.4
123.04401	1.2
124.07552	1.7
125.02311	1.1
127.03939	1.7
128.03398	6.2
129.01851	2.0
133.02846	11.1
134.03629	3.4
135.04413	15.0
137.02344	4.5
139.03864	1.1
146.05969	1.8
148.03940	2.1
155.03445	4.1
160.01588	2.6
161.02335	3.2
163.83348	1.0
166.05092	1.8
173.04466	46.0
174.05093	1.0
177.01825	4.0
178.02611	2.9
178.08653	2.9
179.03383	9.3
191.05536	50.2
193.04976	3.8
204.10306	1.0
206.08157	1.8
208.09767	2.1
210.04053	2.3
213.33786	1.2
215.05530	3.7
220.03891	1.0
225.19527	1.0
249.13362	2.8
291.13721	1.6
307.08054	1.3
335.12479	6.2
336.10864	14.1
351.07162	13.4
352.07739	2.4
367.10287	12.8
369.09766	4.1
370.63406	1.1
411.11087	1.2
531.14795	1.5
543.15027	51.5
544.15045	7.3
723.21259	24.9
724.21368	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	723.214
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	0.9
58.00461	0.3
59.01250	3.9
60.99171	2.4
61.56738	0.2
61.98690	0.5
65.03823	0.3
67.01762	7.5
68.99691	0.5
69.03317	1.8
69.38763	0.3
71.01255	4.7
71.08472	0.6
72.37643	0.3
72.99165	0.3
73.02803	1.1
75.02206	0.2
78.95765	0.3
81.03327	1.6
83.01252	0.3
83.04889	1.2
84.12201	0.3
84.91427	0.2
85.02823	10.5
87.00748	8.3
89.02314	1.5
93.03333	47.7
94.03661	1.6
95.01257	0.7
95.04881	0.4
96.95882	0.5
97.02792	0.3
97.55841	0.2
98.95455	0.6
99.00754	1.3
99.04397	1.6
101.02348	1.3
104.58032	0.3
105.03346	2.1
107.04908	0.6
109.02831	4.3
111.00779	0.4
111.04406	7.4
112.04762	0.3
113.02319	2.0
115.03875	0.5
117.03260	0.5
119.03358	0.4
121.02826	0.7
123.00787	0.2
123.04385	0.6
125.02292	0.6
125.54794	0.3
127.03905	2.6
129.01802	1.0
132.02069	7.8
133.02852	15.7
134.03661	2.3
135.04416	13.7
135.05458	0.6
136.04739	0.5
137.02347	2.1
139.00293	0.4
139.03908	0.6
143.03383	1.3
149.02316	0.4
149.06042	0.3
150.03125	1.2
151.03911	1.3
153.01854	0.3
155.03397	2.1
157.02820	0.3
159.04462	0.3
159.68578	0.2
160.01573	16.8
161.02359	6.8
161.04390	0.6
162.02831	0.5
171.02867	0.7
171.04259	0.3
173.04468	22.6
174.04828	0.7
175.03880	0.5
176.04689	0.8
177.01848	6.7
177.05434	0.8
178.02652	3.2
179.01851	0.5
179.03409	8.7
180.03891	0.3
185.02350	1.2
191.05536	100.0
192.04218	0.6
192.05847	3.4
193.04970	5.7
203.03392	1.0
207.06522	1.4
215.05550	6.6
216.05943	0.4
220.03703	2.2
221.04320	0.4
233.76703	0.3
269.04431	0.4
295.06351	0.4
307.08127	1.0
308.08987	0.4
323.07275	0.3
335.12497	0.9
351.07138	18.8
352.07581	2.1
355.07852	0.3
367.10303	7.9
368.10800	0.6
369.09802	7.5
370.10153	0.7
383.11044	0.4
411.10846	6.1
412.11050	0.8
441.11801	0.6
471.12851	0.8
501.32053	0.4
531.15033	11.2
532.15149	1.6
543.15070	19.8
544.15198	2.9
549.15881	1.0
663.15533	0.6
705.16168	0.4
723.21307	28.8
724.21832	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	723.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67607	0.6
56.76060	0.6
57.03332	0.8
59.01247	5.1
60.99189	2.4
61.98711	0.9
67.01762	7.7
68.99702	1.4
69.03338	2.6
71.01247	6.5
71.01563	0.6
71.51093	0.9
72.99200	0.8
76.24030	0.5
81.03361	1.2
83.01248	0.6
83.04938	1.5
85.00291	0.7
85.02827	12.5
86.02340	0.6
87.00758	8.0
89.02332	1.7
93.03339	47.4
94.03690	1.8
95.01263	0.7
95.04934	0.7
96.95908	0.6
99.00803	0.8
99.04395	1.7
101.02319	2.5
104.82543	0.5
105.03360	1.6
109.02847	4.0
111.04413	6.8
111.05144	0.9
113.02327	2.2
117.03337	0.7
119.04885	1.5
121.02866	1.6
122.06033	1.0
123.04454	0.8
127.03916	2.6
129.01846	1.0
132.02083	6.8
133.02867	14.6
134.03688	2.9
135.04431	13.1
137.02354	2.6
139.03902	0.9
143.03372	1.2
150.03156	0.7
151.03906	0.9
155.03419	1.3
157.02925	0.6
160.01581	15.5
161.02353	7.1
165.05481	0.6
171.02838	0.9
171.10255	0.6
173.04474	21.4
177.01852	6.3
178.02647	2.0
178.08652	2.3
179.03418	6.7
185.02446	0.9
189.05644	0.6
191.05550	100.0
192.04312	0.9
192.05833	3.6
193.05017	5.0
199.09804	1.0
207.06593	1.5
215.05565	5.0
220.03699	1.6
256.66714	0.7
267.08810	0.6
269.04474	2.5
307.08176	0.9
308.11377	2.1
335.12610	0.9
351.07150	14.6
352.08047	1.7
353.08530	1.2
367.10373	5.0
369.09750	5.9
370.10275	0.8
411.10696	4.1
471.12817	0.7
473.12939	1.3
531.15009	9.5
532.15479	1.4
543.15082	14.1
544.15118	2.4
549.16431	0.8
561.19482	2.2
569.10376	0.7
615.49390	0.7
723.21411	27.2
724.21796	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.417
Annotation	Trungapeptin A
Peak:m/z	Relative Intensity
59.01245	9.4
61.98692	0.7
71.01238	4.9
73.02811	0.8
73.32651	0.4
75.16096	0.3
77.62096	0.4
78.95769	2.1
80.02545	0.5
81.03323	0.9
83.01260	0.8
83.04900	1.3
85.02818	1.5
87.00755	1.4
89.02327	2.0
93.03321	0.4
97.02822	4.3
97.06448	0.4
98.73325	0.4
99.00742	1.6
101.02326	4.4
107.04924	0.6
109.06472	15.2
113.02312	2.0
115.68537	0.3
119.03406	0.8
121.06423	0.8
123.04396	0.4
125.09621	0.5
135.08052	2.1
136.05194	1.0
142.02596	1.6
145.05006	0.5
145.10153	0.5
152.99535	0.9
161.04472	1.4
161.09631	1.1
163.11182	9.8
164.11525	0.6
179.10637	0.9
180.26537	0.5
181.12218	1.7
184.05840	0.4
189.09113	3.1
207.10193	50.7
208.10495	2.7
209.11739	2.6
225.11259	15.6
226.11603	1.1
227.12788	0.6
235.08174	5.2
243.12141	0.7
253.09251	10.5
254.09587	0.6
255.23183	1.3
274.62033	0.4
277.21701	100.0
278.22052	9.5
281.13809	0.4
292.26401	0.4
299.15033	0.8
441.33841	0.9
443.19135	2.9
444.19141	0.5
444.24884	0.4
461.20270	4.0
467.32022	0.5
485.18317	0.6
485.32776	0.8
703.40137	0.8
721.41650	25.6
722.42023	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	721.4166
Annotation	Trungapeptin A
Peak:m/z	Relative Intensity
55.01741	0.5
57.03306	0.7
59.01247	13.7
61.98701	0.5
69.79094	2.0
69.79509	0.8
71.01249	6.1
72.99133	0.5
73.02814	1.0
74.01495	0.4
77.87004	0.5
78.95785	2.5
80.02534	1.1
81.03322	2.4
83.01232	1.4
83.04893	2.4
84.02028	0.7
85.02818	2.4
87.00726	0.9
89.02308	3.8
93.03330	0.4
95.01290	0.6
95.04848	0.5
97.02829	5.1
97.06497	0.5
99.00751	1.9
101.02311	5.1
107.04883	1.5
109.02755	0.5
109.06471	31.7
110.03580	0.9
110.06812	1.0
111.16019	0.4
113.02310	2.1
119.03403	1.0
121.06486	1.8
123.04412	0.6
127.65894	0.4
129.01794	0.4
135.08044	3.8
136.05212	1.2
142.02592	2.1
145.10117	0.5
146.37222	0.4
152.99452	1.3
161.04457	1.8
161.09607	2.1
163.11183	19.3
164.11496	0.6
165.09143	0.5
179.05577	1.1
181.12292	3.3
189.09157	2.7
191.05484	0.5
194.03723	0.5
207.10194	100.0
208.10527	5.1
209.11632	2.1
225.11253	34.6
226.11604	2.1
233.22498	0.5
235.08177	2.6
243.12344	1.1
253.09232	12.2
254.09541	0.6
255.23203	0.9
256.23627	0.9
275.20044	0.5
277.21698	70.6
278.22037	5.9
281.13913	0.8
299.14957	1.2
340.19559	0.5
351.78488	0.5
393.87631	0.5
423.32565	0.7
441.33646	1.9
443.19128	4.6
444.19250	0.5
461.20297	12.3
462.20782	1.5
467.31436	1.0
485.32788	0.7
703.40894	1.3
721.41620	32.5
722.42200	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	721.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56707	0.4
59.01249	3.9
63.02277	0.8
71.01248	3.3
71.50922	0.6
71.67830	0.4
78.95766	3.7
83.04948	0.4
85.02839	0.4
87.04380	0.4
89.02357	0.5
97.02844	0.9
99.04283	0.4
101.02363	0.7
104.58149	0.4
107.01268	0.9
109.06464	1.9
116.97103	0.6
122.98394	1.2
151.00258	1.0
152.99561	1.0
163.11194	1.8
171.10121	0.5
181.12178	0.4
183.04424	0.8
189.09120	0.5
191.05563	0.9
199.03975	0.6
207.10220	7.4
208.10585	0.8
211.03949	1.0
225.11253	6.5
226.11649	1.2
227.03535	1.3
235.08215	0.7
253.09219	1.1
255.02962	89.0
255.23166	3.6
256.03351	8.7
256.23523	1.2
257.14008	0.8
268.03824	0.8
269.04477	4.7
277.21732	8.2
278.21918	0.5
281.04388	0.6
283.02463	37.3
284.03214	28.0
285.04007	24.3
286.04391	2.0
295.02460	0.5
297.00644	1.0
297.04019	15.2
298.04773	14.1
299.05557	8.0
300.06000	0.6
313.03513	2.8
327.05148	0.9
429.08289	0.7
431.61948	0.4
443.19098	0.6
452.62021	0.4
453.37378	0.4
461.20346	0.8
488.09576	0.8
501.10358	2.6
502.10928	0.7
515.12024	1.7
557.17462	0.6
611.21381	0.7
637.23444	0.6
641.35327	0.5
662.37366	0.9
721.32233	100.0
722.32538	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	721.3079
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01735	1.5
57.03310	1.1
59.01255	7.7
60.30012	0.9
61.98699	6.6
67.01761	1.1
67.41629	1.0
68.99660	1.0
69.03328	2.1
69.57426	6.5
69.77126	0.8
71.01250	12.6
72.99170	1.0
73.02816	5.9
78.95775	2.1
83.01251	2.6
83.04876	1.8
85.02818	6.2
85.99963	0.8
87.00748	3.2
87.04416	1.4
88.98680	1.0
89.02319	2.7
93.03329	7.5
95.04897	1.5
96.95893	1.8
97.02818	1.2
97.84563	1.0
99.00758	2.0
101.02314	5.3
108.02059	1.3
109.02883	1.5
111.00758	1.3
111.04369	0.9
113.02328	2.4
115.65018	0.9
120.05755	1.2
121.02842	3.5
122.03616	4.9
123.04401	3.5
125.02315	1.4
132.02026	1.0
133.02827	3.1
134.03630	8.7
135.04408	3.6
135.08043	8.3
136.01567	0.9
136.54076	1.0
137.02367	1.3
137.08560	1.5
137.09621	28.4
138.09956	1.2
144.96077	2.0
145.02820	4.2
146.03633	5.6
147.04395	2.7
149.02367	10.3
149.06012	6.6
150.03134	34.3
151.00281	1.3
151.03828	4.1
152.99580	1.1
155.03389	1.7
155.10680	100.0
156.11012	5.0
161.02341	1.6
161.05975	3.6
162.03111	1.5
163.03789	1.8
164.04692	4.8
165.05469	18.6
166.06233	3.1
167.07043	5.2
171.10048	1.2
173.04431	3.7
175.04041	1.0
179.07086	6.7
180.04195	2.1
181.05049	1.5
181.08594	7.6
188.95093	3.2
189.90451	0.9
191.03760	1.3
191.05540	25.9
192.05914	1.8
195.06543	1.8
196.05638	0.9
197.11700	1.3
199.09697	20.9
200.10052	1.2
209.11815	1.8
213.11238	3.9
227.12700	1.2
255.02858	1.0
255.12335	1.2
285.03918	1.3
299.01950	2.4
305.17578	1.2
311.11633	1.1
314.04187	2.3
314.11496	1.2
329.06708	4.9
329.13101	2.8
343.13672	1.6
359.13623	2.6
471.16214	1.3
477.17502	1.0
491.19363	1.1
499.30783	1.3
524.22638	7.6
525.23322	6.4
526.24036	1.0
544.84949	1.2
545.69153	1.1
579.24249	9.1
580.24756	1.2
597.25323	1.5
673.28577	15.0
674.28839	2.8
685.28754	5.5
686.28613	1.3
691.30188	1.3
703.29749	29.9
704.30084	5.0
721.30768	68.1
722.31000	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	721.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	6.6
61.98703	2.0
63.02277	1.6
65.00210	1.5
71.01247	7.1
71.50832	0.7
71.51197	0.6
72.99148	0.6
73.02826	1.1
78.95771	2.8
83.01254	1.1
85.02836	1.9
85.63873	0.4
87.00763	1.4
89.02317	7.0
93.03325	1.0
95.01247	0.4
95.83911	0.4
97.02831	1.3
101.02319	6.0
107.01266	2.5
113.02299	2.1
117.03325	2.7
119.03412	1.6
125.02380	2.4
133.02872	0.7
135.04404	0.4
143.03415	0.5
149.02354	1.6
151.00261	2.1
152.99529	1.8
159.04393	1.6
161.02353	0.9
161.04456	1.0
179.05519	1.5
181.06546	0.5
183.04477	0.6
191.05547	0.7
195.04472	0.6
197.06068	0.8
199.03992	0.5
201.05492	0.5
209.11826	2.4
211.03906	0.9
225.05443	1.3
235.08156	2.5
239.03642	1.0
240.04204	1.5
240.99861	0.5
253.04996	0.6
253.09435	0.9
255.23302	1.4
267.02979	0.8
268.03738	22.0
269.04532	100.0
270.04874	6.7
277.21716	16.3
278.22162	0.9
284.03238	4.2
285.04025	13.7
286.04358	0.9
287.07828	0.6
293.21051	0.7
297.03906	0.7
305.08707	0.8
309.07779	0.9
311.05597	0.8
336.49670	0.5
371.34097	0.5
379.12683	0.8
397.13455	23.4
398.13879	1.2
415.14548	7.0
422.85434	0.4
479.16687	0.6
485.10434	0.7
504.58533	0.5
568.72900	0.5
623.21112	2.0
624.22192	0.8
677.54156	0.5
721.28534	29.9
722.17053	0.6
722.28961	7.5
743.28357	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	30.2
61.98700	4.2
67.01753	0.9
67.36636	1.0
68.99714	1.2
69.38387	4.8
69.38826	3.6
71.01257	2.2
73.27904	1.0
78.95745	1.3
85.02831	2.9
87.00732	1.9
89.02284	1.3
93.03333	7.3
96.95892	1.8
101.02327	2.7
105.90109	1.0
111.00818	1.4
121.02831	1.2
123.47906	0.9
127.11180	2.6
135.04448	2.3
137.02371	1.7
139.11208	1.3
150.03091	1.6
150.05472	1.1
151.00273	2.5
151.03674	1.0
155.03415	1.1
155.10715	1.9
157.12254	15.2
165.05495	1.8
173.04471	2.8
179.03413	2.4
185.11761	12.7
191.05544	19.3
192.05814	1.0
195.06548	1.2
203.12822	100.0
204.13123	5.7
220.50142	1.1
229.09663	1.0
235.52585	1.0
245.13913	63.3
246.14207	4.5
251.61159	1.1
268.03717	3.4
269.04434	2.8
271.10785	1.2
285.04144	1.1
289.11813	1.1
316.68829	1.0
399.74011	1.1
431.09555	4.8
475.09991	1.1
491.08627	1.2
519.66083	1.1
611.84668	1.1
627.12445	1.1
648.55664	1.1
721.23218	3.9
722.22375	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.286
Annotation	Unknow
Peak:m/z	Relative Intensity
57.93500	0.7
61.98705	9.1
63.02256	1.1
65.00198	1.0
69.59666	2.3
69.60078	1.9
73.01952	0.7
78.95777	6.1
83.01294	1.3
93.03329	1.3
98.19807	1.3
101.15012	0.7
107.01260	2.8
131.00909	0.7
133.02856	4.8
134.03635	1.0
149.02351	2.3
151.00308	4.1
152.99486	2.1
171.10176	0.8
173.04321	0.9
175.03873	1.4
191.05530	6.3
199.03964	1.8
201.01880	1.1
209.11790	2.6
211.03897	1.1
213.05428	1.1
227.03407	0.9
228.04449	0.7
243.02974	1.4
255.02950	4.0
256.03781	4.2
283.02414	1.8
284.03268	43.3
285.04028	100.0
285.53052	0.8
286.04324	6.6
312.07715	3.9
313.08224	0.8
429.07910	1.3
501.10028	2.1
534.50970	0.8
721.28638	66.7
722.28931	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	719.3494
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	12.6
61.98698	11.6
67.01767	2.0
69.03333	2.7
69.13022	1.8
71.01254	13.6
73.02842	2.7
73.41467	2.0
78.95789	5.5
80.02571	2.5
80.96399	3.0
83.04895	9.2
85.02826	9.7
87.00753	4.1
88.98705	2.6
89.02342	6.1
93.03342	11.8
95.01300	2.5
95.04917	2.7
96.95898	3.6
99.52032	1.8
100.08554	1.8
101.02316	9.5
102.88335	1.7
111.04395	3.0
113.02354	6.1
120.99526	1.9
124.73619	1.9
125.02380	2.6
135.04398	5.3
135.08040	2.7
136.01552	2.4
137.02379	2.0
151.04074	2.1
151.11182	3.5
152.99495	2.6
153.01869	2.2
153.12640	1.9
155.03407	2.6
155.10641	2.1
161.02409	2.2
161.04488	3.1
163.11218	4.6
165.01852	3.8
165.05403	2.7
167.03438	2.3
169.12239	36.0
170.12621	3.5
173.04541	8.9
179.03416	4.5
179.10561	2.5
191.05542	70.8
191.10730	1.8
192.05913	5.6
195.06601	3.9
196.05112	2.1
197.11758	71.5
198.12172	4.4
199.09724	3.4
209.11771	100.0
210.12112	7.3
215.07127	3.1
227.12799	9.7
243.03159	2.7
253.09381	4.0
270.01773	2.2
271.02545	4.4
271.05927	2.2
280.28015	2.3
285.04092	7.4
299.02087	5.1
300.02695	3.2
301.10797	3.1
313.03769	2.8
314.04446	7.0
315.05206	5.5
477.10611	2.5
622.15399	13.3
623.16614	2.5
687.32312	76.7
688.32520	12.3
689.30353	4.1
719.22308	2.6
719.35236	64.5
720.35803	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	719.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01493	0.5
57.03301	0.8
58.00442	0.6
59.01238	5.1
59.48950	0.6
61.98690	2.0
67.01752	1.1
69.24976	5.9
71.01252	4.1
72.99168	0.9
73.02800	1.0
76.14956	0.6
78.95777	0.6
81.03294	0.6
84.46019	0.6
85.02823	4.8
85.49179	0.6
87.00732	1.8
87.04373	2.7
89.02332	3.5
93.03320	6.8
95.01250	0.6
95.04900	1.9
97.02827	1.2
101.02308	3.2
101.70072	0.7
108.02066	2.9
109.02839	5.7
111.00835	0.6
111.04379	1.2
113.02319	1.3
117.03359	1.4
119.04925	1.3
121.02847	19.3
122.03638	15.2
123.00761	0.9
123.04444	4.7
124.01559	1.6
125.02258	0.7
127.03894	1.3
129.03284	0.7
132.02045	3.8
133.02844	16.8
134.03627	12.9
135.04440	4.5
135.07980	0.7
136.01585	1.2
137.02312	2.9
137.09612	2.1
139.03867	0.6
145.02840	8.8
146.03647	4.0
147.04413	12.0
148.05078	1.0
149.02347	27.5
149.05989	20.6
149.07198	1.1
150.03127	65.6
151.03592	2.6
154.02634	1.9
155.10689	8.2
155.11890	1.1
159.04372	0.6
160.05193	0.7
161.02324	3.9
161.05962	5.0
162.03110	5.4
163.03865	1.9
164.04698	8.3
165.05476	67.8
166.05817	3.1
173.04460	2.2
175.07562	0.7
177.05495	3.4
178.06223	1.4
179.03520	0.7
179.07048	10.7
179.10596	0.8
180.04233	3.1
181.04956	0.7
181.08624	0.9
191.05531	19.6
191.10631	0.8
192.05887	1.2
193.08691	0.6
195.06541	15.7
196.06844	1.1
199.09712	5.1
209.06090	0.6
209.08029	1.2
223.09729	0.6
241.10812	1.3
266.05667	0.6
270.09030	1.4
283.09320	0.8
283.11917	1.9
285.11337	0.8
297.11292	1.5
299.12711	1.5
301.10831	0.8
311.12589	0.7
313.10901	0.7
313.14444	1.1
315.12402	2.5
316.12909	0.8
329.13916	4.6
330.14099	0.8
343.14276	2.0
346.14215	7.8
347.14902	11.5
348.15247	0.8
353.06631	4.0
360.15918	1.7
361.16541	52.1
362.16858	5.5
415.17587	7.6
416.17661	1.2
461.19678	1.8
463.17438	1.2
508.20865	1.0
509.21756	100.0
510.22043	14.6
521.21826	5.5
522.21863	0.8
527.11963	3.6
528.12335	1.4
539.22791	14.3
540.23425	2.3
557.23834	45.4
558.24146	6.9
671.26892	2.3
719.27972	10.2
720.27710	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	718.4299
Annotation	KDdiA-PC
Peak:m/z	Relative Intensity
54.90897	0.7
55.82891	0.7
59.01245	2.7
60.26097	0.6
61.29483	0.7
61.98704	1.2
63.61027	0.6
69.03325	13.4
71.01235	2.4
71.04891	1.8
71.05982	1.6
71.31054	0.7
78.95773	36.2
82.75246	0.7
83.04898	1.9
95.04914	0.9
96.96831	1.5
97.02846	2.1
97.06480	1.2
99.31606	0.7
109.06557	1.0
121.06456	1.0
122.98421	30.3
123.04454	0.9
123.08038	7.4
125.09592	2.6
133.06519	0.7
134.98409	2.9
136.05147	1.7
137.09641	3.5
149.05992	0.9
149.09637	1.6
151.11235	3.6
152.99483	9.1
161.09631	6.4
168.04282	3.7
169.12212	0.8
179.10690	33.3
180.11029	1.4
197.11736	9.3
205.08484	1.1
211.13330	2.7
223.09691	16.1
224.06894	3.1
224.09990	1.2
241.10770	6.1
255.12350	46.5
255.23251	100.0
256.12717	2.2
256.23630	8.2
263.96552	0.8
279.22943	1.0
391.11276	0.8
391.22543	2.7
403.11618	2.4
462.18604	1.0
462.30023	1.1
480.30826	4.5
647.35748	2.0
659.35626	26.5
660.35736	3.7
693.25165	0.8
718.42926	37.2
719.43518	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	717.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27216	1.2
53.90195	1.2
54.08986	1.4
58.00459	5.2
59.01249	85.9
60.01574	1.6
70.77629	1.2
71.01253	70.8
72.01600	1.4
72.99175	3.8
78.95786	3.6
83.33608	1.3
85.02813	7.4
89.02314	100.0
90.02657	2.2
93.03331	6.3
101.02321	5.6
109.57236	1.5
113.02319	10.2
115.27674	1.3
119.03388	2.8
121.02844	8.0
122.03635	15.3
131.03394	11.6
133.02742	2.1
135.04382	1.9
136.01515	1.8
137.02354	1.8
149.02350	39.3
149.04419	17.5
150.03125	86.7
151.03490	5.2
152.99466	2.0
160.01518	3.3
164.04668	7.3
165.05475	90.7
166.05818	7.6
180.04167	3.6
191.05434	6.8
194.17412	1.3
195.06554	83.3
196.06915	5.0
229.18909	1.7
242.09375	1.5
257.11780	2.8
270.09006	3.6
285.11267	5.8
298.08386	5.0
310.08435	2.8
311.09113	3.3
313.10751	5.0
323.09253	1.5
324.09631	2.3
325.10568	4.0
326.07867	5.0
326.11374	2.6
340.13220	2.1
341.10260	34.3
342.10715	6.4
356.12582	16.6
357.13242	2.4
369.13412	3.3
370.13672	2.9
371.14926	90.4
372.15439	10.1
419.64020	1.3
421.30042	1.4
456.04141	1.4
482.82184	1.6
519.20190	47.3
520.20789	7.7
525.16541	1.3
565.19812	1.4
567.21979	1.6
717.28412	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	717.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35706	2.1
55.01756	4.4
55.59973	2.2
57.03331	1.9
58.00461	5.9
58.08809	2.1
59.01249	100.0
61.98690	7.7
69.17724	19.5
69.18140	4.7
71.01254	69.0
72.99162	6.0
73.02816	6.2
75.00713	3.1
76.98360	2.4
78.95785	4.3
83.01253	6.7
85.02819	21.6
87.00755	12.5
87.31479	2.0
89.01754	3.8
89.02316	78.0
93.03336	8.2
95.01251	7.0
96.13591	2.0
98.20570	4.5
99.00774	4.1
101.02323	41.3
108.02078	4.6
109.02831	2.9
111.00757	2.7
113.02321	29.0
119.03393	24.0
121.02827	16.3
122.03645	16.2
123.00730	2.3
123.04390	4.7
125.02345	2.0
131.03345	3.7
133.02820	5.4
134.03622	3.2
135.04419	4.0
136.01599	4.4
137.02310	4.6
143.03423	7.7
145.02783	5.5
147.04407	4.8
149.02353	51.0
149.05968	2.9
150.03123	87.1
151.03667	3.4
153.01826	3.3
155.10596	4.7
158.03517	2.4
159.04404	5.3
160.05135	3.6
161.04453	6.1
161.05992	4.3
162.03093	7.1
163.03896	6.1
164.04700	8.9
165.01930	3.1
165.05476	68.3
166.05836	2.5
167.03322	2.9
175.07571	3.6
177.05463	8.3
179.05531	19.4
179.06996	3.1
180.04189	4.0
181.04842	4.1
191.05507	14.7
195.06589	24.3
199.09723	3.3
267.06567	2.9
267.10037	2.1
269.04642	5.1
269.08008	4.2
281.08179	4.2
282.08862	4.4
283.09686	3.6
297.11176	3.9
313.10669	6.2
314.11569	5.4
326.11520	7.0
327.12256	7.8
329.13889	9.5
341.13831	5.1
355.11884	4.9
358.10660	2.2
431.14987	6.1
463.17062	3.2
466.80145	2.2
476.16718	9.5
477.19073	34.1
478.19672	4.3
489.18982	8.5
491.19205	40.5
492.19843	3.1
503.19244	33.1
504.19595	4.1
507.20261	13.0
508.20743	2.3
555.21771	6.1
639.24329	11.5
640.25220	2.4
651.24469	51.1
652.24878	8.6
669.25458	87.2
670.25922	15.2
687.26520	2.4
689.89874	2.4
699.26904	6.9
717.27710	45.3
718.28363	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	717.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85581	0.4
57.03313	0.7
58.00464	3.9
59.01250	53.5
61.98695	1.3
63.69749	0.5
67.01781	0.6
68.99681	1.9
69.03314	3.1
69.17249	5.4
71.01253	40.7
72.01583	0.8
72.99172	3.4
73.02829	0.5
78.95772	2.2
83.01268	0.8
85.02818	7.0
87.00780	1.1
89.02316	59.1
90.02619	0.8
93.03330	5.5
95.01275	2.8
96.95885	0.9
97.02840	5.6
101.02322	8.6
111.00742	1.5
113.02323	6.9
119.03399	2.0
121.02835	6.2
122.03625	15.3
123.00732	0.7
123.04391	1.9
124.01536	0.7
131.03400	8.9
132.02095	0.8
132.90225	0.7
133.02847	2.0
134.03671	0.8
135.04446	0.8
136.01561	1.9
137.02309	0.6
137.09619	1.1
141.01822	1.1
149.02350	25.0
149.04411	11.6
149.05711	0.5
150.03131	100.0
151.03453	4.3
152.99419	0.6
155.03383	4.5
155.10661	4.5
156.11079	0.5
160.01582	2.8
162.03023	0.6
163.03825	0.5
164.04684	3.7
165.05481	96.8
166.05855	4.9
173.04489	0.5
177.01845	0.7
177.05510	0.6
178.45177	0.5
179.05598	0.6
179.07065	0.8
180.04205	5.5
181.04797	0.6
181.08611	2.4
191.05568	6.1
192.05920	0.6
193.05032	0.6
195.06557	73.6
196.06903	3.6
199.09653	2.6
209.11812	1.2
211.03963	0.9
211.05945	0.9
223.09715	0.9
242.09497	1.7
253.08592	0.5
257.11819	1.9
270.08920	3.2
281.04449	0.6
282.08969	0.7
285.11346	4.0
298.08551	3.8
299.18518	0.8
309.07507	0.8
310.08398	2.2
311.09119	2.5
313.10699	4.0
323.09113	1.3
324.10037	1.5
325.10736	3.3
326.08072	2.7
326.11404	2.1
327.12256	1.2
339.12390	1.2
340.09232	0.6
340.13052	1.2
341.10257	28.5
342.10538	3.0
355.11737	0.7
356.12567	12.4
356.16614	0.9
357.12946	1.9
359.15109	1.0
369.13422	1.3
370.13599	1.2
371.14963	72.1
372.15311	7.7
485.20398	2.7
491.19354	0.9
503.18866	1.3
511.22208	0.7
519.20233	6.3
520.20441	1.1
537.21216	0.7
555.20941	7.1
556.21478	0.9
585.23822	0.8
669.25281	0.7
717.28510	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	716.3706
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02392	0.1
59.01244	0.3
61.98699	100.0
70.25446	0.2
70.45671	0.1
71.01267	0.3
71.51160	0.2
78.95781	0.9
85.02853	0.1
89.02315	0.2
113.60721	0.2
129.28252	0.2
152.99519	0.6
191.05476	0.4
232.48433	0.2
242.38062	0.2
255.23323	0.6
256.23749	0.5
279.23257	0.3
281.41171	0.2
397.13281	0.3
398.13773	0.2
399.13992	0.4
400.14462	0.4
732.23462	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87359	0.5
57.03310	0.8
58.00466	1.1
58.10691	0.4
59.01251	23.7
60.59232	0.5
61.97496	0.4
64.35520	0.5
69.03325	26.6
70.03661	0.5
71.01250	15.3
71.49558	0.9
72.99176	1.6
81.03331	1.0
85.02821	2.9
87.00739	1.4
89.01764	0.9
89.02319	17.0
93.03326	1.5
95.01266	1.3
95.04900	9.4
96.05226	0.9
96.95877	0.7
97.02837	2.0
99.04401	3.5
101.02318	9.0
107.04895	3.5
107.08546	1.5
109.06429	0.6
113.01527	0.7
113.02326	13.7
114.02691	0.7
119.03381	6.5
121.02856	0.7
121.06480	1.8
123.04428	1.1
123.08051	0.6
125.05962	2.5
131.03407	0.6
143.03407	1.6
149.04446	0.4
149.05968	1.1
150.06201	0.6
151.07536	8.9
161.04486	1.7
161.69254	0.5
169.08614	9.4
179.05521	4.5
191.05527	1.5
193.04996	1.6
195.06598	8.4
213.07629	17.9
213.09680	0.9
214.07863	1.1
215.78673	0.4
302.57434	0.5
331.13971	2.2
331.98724	0.5
341.10864	18.8
342.11237	1.1
358.86041	0.4
373.11511	3.6
374.11606	3.3
375.12933	100.0
376.13315	7.4
461.62314	0.5
492.79166	0.5
733.52130	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04440	0.7
56.62579	0.6
58.71155	0.6
59.01234	2.6
66.10359	0.6
69.14546	0.7
71.01241	2.3
71.51311	0.9
78.95753	1.1
83.01308	0.9
83.94623	0.8
85.02811	1.3
87.00739	0.7
89.02320	2.0
91.05383	0.9
93.03331	3.0
95.01265	0.7
95.04896	0.8
101.02298	1.6
105.03277	1.1
108.02035	1.1
109.02823	1.6
113.02335	1.5
121.02845	8.6
122.02390	1.0
122.03613	7.3
123.00734	1.8
123.04384	2.8
124.01522	0.8
131.04904	0.7
132.02057	2.6
133.02861	7.2
134.03650	3.3
134.05969	1.6
135.04398	1.9
136.01556	2.1
137.02359	1.9
145.02875	1.9
146.03667	1.6
147.04413	15.2
148.01540	0.9
148.05157	2.2
149.01096	0.7
149.02347	25.6
149.05994	6.8
150.03128	67.2
151.03677	2.9
153.05449	0.7
158.03627	4.3
159.04398	7.0
160.05200	14.4
161.02299	1.0
161.04907	0.7
161.05991	7.0
161.63802	0.7
162.03195	1.2
163.03920	6.2
164.04707	12.2
165.05479	46.5
166.05856	2.2
173.04675	0.8
173.05971	5.0
175.03938	2.0
175.07556	17.1
176.04683	6.5
176.07938	1.1
177.01886	0.7
177.05479	12.5
178.06250	4.6
179.03395	0.9
179.06985	1.6
180.04207	3.2
181.04890	1.2
189.05547	1.9
191.05519	4.1
191.07083	1.9
192.07663	0.9
193.08627	1.8
195.06549	18.6
196.06982	0.9
213.09135	1.0
227.07101	0.7
231.45645	0.6
240.04251	1.0
240.07681	0.9
255.06500	3.5
256.07565	1.1
270.08929	5.0
271.09717	1.9
281.09344	2.6
282.09485	1.7
283.09766	0.9
284.10486	0.8
285.11325	1.9
293.09271	0.9
294.09570	1.1
296.10385	1.4
297.11359	1.4
299.12866	0.8
301.10840	1.4
302.07910	0.7
315.12500	3.3
329.13940	36.3
330.14301	2.8
359.15024	2.0
383.15057	0.7
432.15759	2.0
447.18127	8.3
448.18073	1.1
459.18234	3.2
462.16708	1.5
477.19165	100.0
478.19531	13.8
489.19110	0.9
507.20337	14.8
508.20737	2.8
525.21313	50.8
526.21606	7.7
537.21295	1.0
555.22321	20.1
556.22473	3.6
609.22601	3.4
653.21234	1.2
669.25482	1.0
685.24188	2.9
717.27014	2.5
718.26276	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3713
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	0.2
60.44993	0.1
61.98706	100.0
62.98410	0.3
63.99139	0.2
70.99245	0.1
70.99574	0.1
71.01260	0.2
78.95785	0.3
87.00756	0.1
89.02332	0.2
93.03341	0.6
101.02348	0.1
108.34645	0.1
111.04426	0.1
111.22619	0.1
113.02359	0.1
125.02401	0.1
133.02859	0.1
135.04453	0.1
152.99554	0.2
166.65083	0.1
173.04483	0.2
173.83803	0.1
191.05545	0.5
236.08646	0.1
241.30908	0.1
255.23276	0.2
256.23715	0.1
277.21997	0.1
309.65384	0.1
348.47205	0.1
351.06903	0.1
365.57578	0.1
397.13373	0.1
398.13895	0.1
399.14166	0.2
400.14551	0.2
417.15305	0.1
418.15466	0.1
717.35065	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	1.2
58.00475	3.8
59.01250	64.1
60.67841	0.7
60.99157	0.6
61.98704	0.9
67.01766	0.9
68.99691	0.9
69.03316	4.3
71.01251	59.7
71.51527	0.8
72.01601	1.4
72.99183	6.0
75.00728	0.7
76.09521	0.6
78.95761	1.4
83.01233	0.9
85.02824	8.6
85.14177	0.6
87.00768	2.3
89.02315	84.6
90.02618	1.2
93.03337	9.2
95.01273	1.1
95.04899	1.0
96.95889	2.1
97.02839	6.1
99.00749	0.8
101.02329	8.0
105.03331	0.6
106.55197	0.6
108.02006	0.8
108.11276	0.6
109.02846	1.3
111.04430	1.2
113.02329	10.2
115.00340	0.7
119.03395	2.6
119.04909	2.5
121.02847	7.3
122.03629	14.7
122.04453	1.1
123.00794	0.9
123.04386	2.8
127.03910	0.8
131.03391	8.9
132.02037	1.1
133.02847	2.1
134.03629	1.0
135.04414	3.5
136.01530	1.2
137.02333	1.9
139.03944	1.1
141.01820	1.3
143.03317	0.6
146.03622	1.5
147.04372	0.9
149.02353	25.5
149.04404	11.1
149.05927	1.8
150.03127	100.0
151.03479	4.4
153.05548	0.7
155.03485	0.9
160.01572	2.3
161.02336	1.4
161.05984	1.4
163.03882	1.6
164.04678	5.9
165.05479	98.6
166.05830	5.0
167.06987	1.0
173.04443	2.8
177.01866	0.9
177.05498	0.9
179.03442	1.5
179.07080	3.2
180.04179	8.5
180.07288	0.7
181.04707	0.7
187.03987	0.7
191.03769	1.2
191.05530	21.1
192.05928	1.3
193.04951	5.0
195.06554	68.5
196.06856	3.6
222.01353	0.8
222.06697	0.9
240.07936	1.2
243.06628	0.9
252.07967	1.1
255.10295	0.8
267.06250	0.8
268.07397	4.9
278.05945	0.9
279.06653	1.1
280.07397	3.0
281.07825	1.1
283.09750	3.6
283.13162	0.8
293.08005	0.8
295.06262	0.8
296.06961	4.8
307.05975	0.8
308.06888	5.7
309.07602	3.5
310.08569	0.8
311.09134	7.1
321.07739	1.6
322.08539	2.1
323.09250	11.0
324.06366	3.1
324.09933	4.0
325.10477	1.0
337.10809	1.3
338.11478	4.2
339.08701	37.9
339.12027	1.5
340.09003	5.4
341.10306	0.7
353.10043	1.2
354.11081	15.5
355.11700	1.9
369.13403	92.7
370.13708	10.4
371.14963	2.4
373.11414	7.2
374.11148	0.8
483.16553	1.0
517.18665	9.9
518.19171	2.1
547.18817	0.7
553.19708	1.0
565.20837	1.9
583.21466	0.8
715.25232	2.3
716.27264	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01740	0.8
58.00471	5.0
59.01248	83.3
59.40992	0.7
60.01559	0.7
70.99588	1.1
71.01252	64.5
72.01598	1.2
72.99168	5.3
73.02869	0.7
73.83044	0.7
74.08323	0.7
85.02820	8.4
87.00762	1.3
89.02315	99.7
90.02666	2.4
93.03342	5.2
96.95889	0.6
97.02798	1.0
101.02322	7.9
108.02055	1.1
113.02329	10.1
119.03362	4.1
120.37946	0.7
121.02834	7.6
122.03630	11.8
123.04414	1.3
131.03403	11.8
132.02042	1.3
133.02829	1.7
134.03543	1.2
135.04410	1.3
136.01534	2.3
149.02357	33.0
149.04404	13.5
149.05725	1.2
150.03128	85.9
151.03473	3.7
153.05421	0.9
157.71559	0.8
160.01567	2.3
161.02338	1.2
162.03110	1.2
164.04697	4.6
165.05479	92.1
166.05820	4.7
177.05479	2.1
179.03453	0.9
179.07082	1.9
180.04236	5.8
191.05508	7.1
195.06548	71.1
196.06863	5.6
205.37410	1.0
240.07790	1.2
243.06688	0.9
251.06934	1.0
267.06622	0.9
268.07455	4.3
269.07919	0.9
279.06656	1.1
280.07437	2.1
283.09717	2.8
293.08154	1.5
294.08990	1.3
296.06888	3.7
308.06958	4.4
309.07687	4.3
311.09146	4.5
321.08072	1.6
322.08420	2.1
323.09250	11.2
323.12820	1.7
324.06284	2.7
324.09930	3.9
337.10782	2.1
338.11557	3.7
338.26978	0.8
339.08691	40.1
339.12076	1.7
340.09079	4.9
351.78854	0.9
354.11020	15.7
355.11789	3.5
369.13397	100.0
370.13745	13.7
427.11502	1.4
455.02237	0.8
461.13589	1.1
517.18677	43.7
518.19037	8.8
535.18732	1.6
563.98395	1.0
565.20471	1.8
577.99628	0.9
583.22028	1.3
584.21667	0.8
715.26392	3.3
716.27051	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	715.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	1.6
58.00459	5.4
58.21260	1.6
59.01250	100.0
61.98700	7.8
69.03323	5.0
69.74517	1.7
71.01256	73.0
71.51468	2.3
72.99190	6.1
78.95766	1.7
82.76401	1.7
83.01221	2.0
85.02813	16.1
87.00743	7.7
89.02314	97.7
93.03338	7.8
95.01254	6.8
97.02840	4.8
101.02326	31.5
105.01875	1.6
107.04875	2.4
108.02045	4.0
109.02833	4.2
111.00724	1.7
113.02327	30.7
119.03391	32.6
120.99462	3.3
121.02819	5.1
122.03626	2.3
123.00803	1.7
123.03024	1.7
123.04418	4.4
125.02380	1.8
131.03401	2.7
133.02847	3.5
135.04427	13.1
136.01549	12.3
136.04660	1.8
137.02362	5.4
143.03391	8.8
145.02849	6.6
146.03615	6.3
147.04352	2.7
149.02365	6.1
149.04507	2.9
149.05899	2.2
150.03142	11.2
151.03915	16.1
152.01097	2.3
155.10747	2.2
160.05183	2.0
161.02325	7.5
161.04482	7.9
161.05876	2.8
162.03134	33.9
163.03902	2.6
164.04665	2.5
165.01833	2.1
165.05540	10.8
173.04497	4.4
173.05927	1.9
177.01868	2.8
177.05479	30.7
178.05719	1.8
179.03452	8.6
179.05525	22.0
179.06992	3.5
180.03906	3.4
189.05508	3.1
191.05508	28.8
191.07138	2.5
192.05894	3.0
193.04807	1.9
195.06520	10.4
207.06673	2.0
257.03354	1.7
271.09631	2.2
312.09930	3.5
343.11777	4.7
357.13425	8.1
373.12225	5.4
452.25586	1.7
505.18674	14.8
506.18994	2.6
517.18457	4.7
535.19623	8.2
552.18555	2.8
553.18793	5.3
715.26843	6.6
716.26282	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	715.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01741	0.5
57.03348	0.6
58.00452	1.2
58.64445	0.4
58.84605	0.5
59.01250	31.9
61.80136	0.5
67.01755	0.7
69.03323	26.4
69.66510	1.0
69.66923	2.0
70.03658	0.6
71.01252	19.8
72.99171	2.1
73.02832	0.6
73.23085	0.5
77.48961	0.4
82.21134	0.5
83.01240	0.9
85.02818	4.1
87.00753	1.7
89.02313	24.0
93.03343	6.0
95.01264	1.5
95.04905	1.1
97.02829	34.7
98.03181	0.5
98.19836	0.5
101.02324	9.4
105.03342	2.1
107.04899	0.5
113.02332	7.5
119.03387	8.3
119.04878	0.7
121.02864	0.9
121.06440	2.4
123.04402	7.9
131.03401	0.7
134.03586	0.9
141.01820	1.8
143.03387	1.1
147.04376	0.6
149.04854	0.5
149.05975	13.3
150.06306	0.8
158.09601	0.5
161.04417	1.2
167.07053	7.3
179.05551	3.3
191.05507	1.4
193.04980	24.1
194.05301	0.7
211.06044	1.6
341.10834	2.8
373.11365	100.0
374.11716	7.1
519.89795	0.5
744.15302	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.4735
Annotation	Unknow
Peak:m/z	Relative Intensity
57.67196	0.6
59.01237	1.6
61.98694	1.8
69.03326	0.9
71.01246	1.5
71.28363	1.2
81.03335	1.2
85.02799	0.8
86.37445	0.5
87.00739	0.7
89.02309	1.9
93.03333	1.5
96.43817	0.6
101.02292	0.8
121.02811	0.6
123.04432	1.2
125.02306	2.8
135.04373	1.0
177.01866	1.7
179.05400	0.6
191.05518	4.8
199.32716	0.6
224.43396	0.6
276.75623	0.5
355.10330	1.1
432.44739	0.6
655.77039	0.6
677.49591	2.7
678.50055	0.6
713.47339	100.0
714.47577	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	714.3556
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88062	0.1
59.01233	0.2
61.98701	100.0
63.56976	0.2
66.04297	0.2
71.01247	0.3
78.95773	0.4
89.02326	0.2
96.92219	0.1
96.95913	0.2
99.11567	0.1
152.99480	0.3
184.45737	0.2
191.05548	0.7
209.11771	0.2
295.77374	0.2
296.18307	0.2
299.02563	0.1
367.81128	0.2
373.11505	0.2
417.15173	0.2
548.42969	0.2
564.72614	0.2
665.64893	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19170	1.0
55.01741	1.5
57.03317	2.5
58.00467	6.0
59.01251	84.8
61.98700	8.5
67.01748	2.5
69.03323	9.9
69.31282	1.1
71.01250	57.6
72.13379	1.0
72.99171	5.2
73.02817	5.9
73.88531	1.1
78.95778	3.2
79.95583	1.4
80.96357	1.3
83.01252	4.7
85.02821	28.1
87.00751	4.8
89.02317	47.3
90.02652	1.5
93.03337	17.5
94.03660	1.3
95.01252	4.7
95.04916	5.2
96.95889	2.8
97.02783	1.2
99.00734	3.3
101.02326	33.1
109.02828	1.9
109.06514	1.3
111.04421	1.5
113.02330	22.0
117.07012	1.4
119.03387	19.4
119.04814	2.2
121.02838	37.0
121.06510	2.8
122.03188	1.3
123.04407	4.0
125.02394	1.3
127.03781	1.1
129.06956	3.8
130.04156	1.8
131.03368	1.4
133.02811	1.6
135.04404	3.1
137.02429	1.1
143.03409	2.6
143.04903	1.4
145.02835	1.2
145.06485	7.1
147.04401	3.2
147.08057	7.4
149.04494	1.4
155.03416	1.6
159.07936	1.1
161.04472	7.7
161.05991	3.3
163.07579	1.8
165.01840	4.9
165.05351	1.3
173.04462	3.8
173.05995	17.0
179.03362	1.9
179.05559	6.3
189.05521	6.0
191.05502	29.9
191.07080	20.3
207.02905	2.9
209.08102	1.9
209.11804	1.4
217.04988	3.8
283.08228	1.4
315.18042	3.7
327.07306	2.1
371.13525	2.2
383.20697	2.6
397.11331	6.5
419.21844	1.1
437.21780	14.1
463.23654	1.9
481.20779	9.3
489.24942	5.1
507.25870	1.5
533.24060	11.1
534.24176	2.3
551.25012	1.4
713.30200	100.0
714.30542	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	713.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88507	0.5
57.03301	1.3
58.00469	3.3
59.01252	45.4
61.98705	2.2
67.01773	0.6
69.03315	1.0
71.01257	36.1
72.01585	0.7
72.99183	4.2
78.95747	1.0
79.92857	0.5
80.96388	0.5
81.03327	0.7
81.22560	0.4
83.01237	0.4
85.02830	7.0
85.61887	0.4
86.63016	0.4
87.00750	1.8
89.02321	42.4
90.02612	0.5
92.33263	0.4
93.03349	5.2
95.04904	0.5
96.95876	0.6
98.19687	1.2
101.02322	4.5
108.02026	0.7
109.02850	1.9
111.04431	0.8
113.02341	3.3
116.92706	0.5
119.03423	1.1
119.04836	0.7
120.99493	0.6
121.02853	5.5
122.03638	8.5
123.00770	1.4
123.04396	0.7
125.02316	0.5
131.03421	3.8
133.02856	2.3
135.04475	2.5
136.01567	1.3
137.02333	1.6
146.03658	0.7
149.02361	17.8
149.04366	4.4
150.03137	52.0
151.03596	1.9
153.05479	0.4
155.03391	0.6
161.02347	1.8
162.03188	0.7
163.03938	2.2
164.04712	2.9
165.05499	50.0
166.05858	2.0
173.04436	2.4
175.03856	2.4
177.01820	0.5
177.05508	1.1
178.02534	0.6
179.03458	3.6
180.04222	3.5
181.05013	0.5
190.06322	0.7
191.05559	17.5
192.05934	0.7
195.06572	38.3
196.06886	1.6
222.05144	1.3
222.07045	0.5
231.01115	0.6
231.03346	0.7
238.06285	1.1
241.05002	1.2
244.51305	0.5
250.06305	4.2
265.05179	0.8
266.05835	4.6
277.05145	1.1
278.05875	5.7
279.06564	1.6
281.08148	1.4
289.32291	0.6
291.06625	1.1
292.07388	1.1
293.04669	0.6
293.08163	0.9
294.05331	7.3
306.05362	5.9
307.06195	2.6
307.09286	0.7
309.07669	15.8
310.07950	1.6
320.06860	1.2
321.04117	0.9
321.07690	10.8
321.11176	0.9
322.04810	1.2
322.08331	2.4
323.05780	0.5
335.09045	1.3
336.09879	2.7
337.07175	41.6
338.07632	5.8
351.08478	1.1
352.09509	18.2
353.09659	3.2
367.11850	100.0
368.12225	9.5
425.10400	1.2
437.10321	0.9
452.12860	0.5
457.13028	0.5
461.85934	0.5
471.14566	0.5
483.14478	0.7
515.17120	21.7
516.17163	3.7
563.19202	2.1
581.20331	1.7
582.21417	0.7
708.64307	0.6
713.24225	3.4
714.24414	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	6.9
61.98706	18.5
67.01723	1.2
68.99686	4.7
69.03334	5.4
69.24112	2.9
69.24541	2.2
71.01263	3.3
78.95837	0.8
81.03335	1.8
85.02837	1.9
87.00749	1.1
89.02317	2.9
93.03342	3.1
95.01284	0.8
95.04911	0.9
96.95867	0.7
98.20566	1.3
101.02330	13.3
107.04933	1.5
109.02850	1.0
113.02345	1.5
119.03445	0.8
119.04940	1.3
120.99536	1.5
121.02811	1.4
123.04407	0.7
125.02358	6.2
127.03947	0.8
133.02809	2.7
134.03648	5.8
135.04420	92.3
136.01599	1.6
136.04759	3.4
137.02351	0.6
145.06155	0.6
146.03589	0.7
150.03146	1.3
151.03931	1.2
155.03439	0.9
157.04987	1.8
159.04391	0.9
160.01584	0.9
161.02351	10.1
162.02707	1.0
163.03981	1.0
165.05498	1.5
173.04494	2.6
173.05983	12.8
175.03929	1.5
175.87535	0.5
177.05594	0.6
179.03423	100.0
180.03743	5.0
191.05548	13.2
192.05823	0.6
193.04991	1.8
195.06567	2.9
217.05026	7.5
243.62744	0.6
250.78676	0.6
268.84335	0.6
287.06180	0.6
287.09222	1.3
337.09372	0.8
341.09741	0.7
353.08667	1.6
357.10013	0.6
371.11075	1.4
389.12366	3.6
410.53650	0.7
414.52945	0.6
429.13422	1.1
455.46652	0.6
475.19556	1.1
476.19745	2.8
477.20432	2.2
488.19827	0.6
489.20215	1.0
492.76804	0.6
500.48492	0.7
551.17694	95.5
552.18042	12.9
552.25903	1.1
566.47327	0.6
713.22943	3.9
715.07782	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76832	0.4
55.18733	0.4
59.01250	5.7
61.98702	29.3
68.99687	4.8
69.03327	4.0
69.69958	2.6
71.01252	3.3
72.99202	0.5
81.03328	2.2
83.01248	0.5
85.02824	1.4
87.00786	0.8
89.02319	1.8
93.03339	0.7
101.02325	12.5
102.02691	0.5
107.04893	0.6
109.02880	0.4
113.02339	0.6
119.03439	0.4
120.99506	0.4
121.02835	0.6
125.02355	5.3
127.03918	0.6
128.03340	0.5
128.99748	0.4
133.02840	1.6
134.03622	4.0
135.04416	82.1
136.01593	2.2
136.04770	3.1
137.02295	0.4
139.03882	0.4
141.48557	0.4
145.06087	0.7
149.02400	0.6
150.03136	0.7
151.03932	1.5
157.04964	2.9
161.02353	8.0
165.05463	0.7
173.04564	0.6
173.05992	12.0
174.06316	0.5
176.33861	0.4
177.01840	0.6
179.03419	100.0
180.03737	3.5
189.05479	0.5
191.05530	2.7
193.04951	0.8
195.06577	2.2
217.05008	8.2
217.06940	0.7
227.09187	0.5
235.91463	0.5
287.09241	1.7
314.51343	0.4
319.08298	0.9
335.78525	0.5
371.11450	1.8
384.76620	0.5
389.12381	2.7
444.93170	0.4
461.17133	0.4
462.17770	0.5
475.19525	1.9
476.20050	4.1
477.20389	3.6
487.19638	0.8
488.20108	1.6
489.20193	2.4
506.21167	0.6
551.17694	81.1
552.18005	10.7
713.22687	2.7
714.23907	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00448	2.0
59.01253	11.5
61.98696	2.9
63.50983	1.4
67.01743	2.0
68.99693	1.7
69.03336	4.1
71.01254	14.0
71.11733	3.5
72.99207	2.3
73.02817	4.3
75.00748	3.5
78.95798	3.0
81.03344	3.4
83.01244	10.5
83.04885	2.2
85.02813	10.0
87.00761	16.9
87.04401	3.6
89.02328	5.6
93.03319	12.3
93.62881	1.5
96.95898	1.7
99.00750	4.1
100.01547	5.1
101.02322	4.2
109.02850	8.1
111.00762	19.7
111.04499	1.8
113.02335	2.0
113.99476	3.0
115.00269	15.4
119.03317	1.5
119.04891	3.1
121.02858	3.0
123.04363	2.9
125.02332	4.5
127.00191	1.6
127.07169	1.8
128.01059	7.8
133.02856	6.2
134.03676	3.6
135.04436	9.8
137.02347	5.1
137.09624	1.7
139.00269	14.5
139.03900	1.6
145.02890	3.1
146.03650	20.5
147.04401	5.8
148.05162	1.9
149.02353	5.2
149.05980	5.6
150.03140	3.6
151.03882	3.5
151.07645	1.7
153.05449	1.8
155.03435	2.0
155.10687	11.8
156.00551	34.0
157.01329	16.7
159.04411	5.0
161.02333	13.1
161.05986	7.2
162.03084	5.6
163.03943	7.3
164.04688	13.2
171.04433	1.6
173.02362	6.8
173.04437	4.9
174.01620	13.8
174.03142	21.6
175.02383	20.0
175.03920	11.0
177.01868	9.6
177.05421	1.7
179.03374	4.1
179.07039	27.5
183.04488	2.2
186.03174	2.2
187.00359	2.3
187.03906	13.1
188.01077	19.2
188.04698	5.7
189.01862	40.8
189.05498	3.2
190.02644	79.6
191.03345	9.6
191.05528	51.3
191.07045	2.2
192.05869	3.3
193.04987	21.7
195.06551	1.8
199.09691	12.6
200.10182	1.7
201.01894	10.8
202.02609	2.0
203.03471	7.3
204.04178	2.0
205.04948	2.0
207.06598	8.4
209.11800	19.1
213.01889	2.0
215.03484	9.1
216.04134	5.4
217.04919	1.9
218.02122	3.7
219.02933	4.2
219.06548	4.9
227.03456	2.9
227.12868	4.9
229.04980	1.8
231.02930	7.7
233.04527	20.3
234.05183	5.9
235.06024	7.6
237.03943	2.4
241.10728	2.8
243.02776	2.3
245.04568	2.6
247.06105	16.2
251.05699	5.5
255.03004	2.3
257.04541	4.1
259.02451	5.5
260.06998	2.0
261.04120	7.2
262.04572	1.7
263.05615	56.7
263.08475	2.9
264.05786	3.6
273.04028	5.7
275.05627	5.3
283.11795	4.1
285.04025	2.0
287.05658	2.7
289.07257	18.1
291.05127	100.0
292.05463	6.5
302.04288	4.1
305.06628	12.4
307.08234	12.0
309.06061	7.9
315.05209	2.6
319.04578	6.6
333.06186	6.7
337.05600	9.8
342.53998	1.6
343.14072	8.9
351.07236	57.1
352.07635	3.3
353.08255	1.8
369.08212	4.2
371.11456	3.0
533.17725	2.5
561.19836	2.6
595.20367	4.6
613.21307	3.3
633.21777	5.3
635.19928	3.1
653.20331	9.6
654.20996	2.4
659.20203	2.6
677.20813	7.5
678.21161	1.7
681.20966	3.6
695.21704	20.1
696.22473	3.2
713.22968	29.3
714.24054	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	711.3809
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	30.6
61.98714	6.2
69.03341	2.0
69.27720	2.6
69.28123	10.4
71.01258	25.5
72.99185	1.6
73.02820	3.9
73.15904	1.1
77.50614	1.0
78.95755	3.8
83.01259	3.0
85.02827	7.3
87.00757	5.6
89.02316	31.1
91.64588	1.1
97.02824	3.0
97.06429	1.1
98.20559	2.6
101.02321	21.6
113.02329	10.0
119.03378	6.4
125.01449	1.1
125.02319	5.3
143.03407	3.3
143.07037	1.3
148.61244	1.2
152.99445	2.6
161.04448	3.2
171.10173	1.3
179.05545	5.9
191.05579	5.7
221.06676	2.3
225.11234	2.6
235.08150	7.0
249.18536	2.9
253.09224	1.7
253.21681	20.2
254.22116	1.5
263.07626	1.4
277.21689	1.7
286.79257	1.3
293.21289	3.1
305.08810	1.7
397.08429	2.5
397.13519	48.7
398.13702	2.7
407.53494	1.3
415.14560	100.0
416.15021	7.7
498.95856	1.2
529.88824	1.2
640.79175	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	713.151
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85873	0.2
59.01236	1.0
61.98703	1.2
62.35648	0.2
63.02256	0.6
65.00198	1.5
68.99694	0.3
69.03318	0.3
71.01240	0.3
71.37253	0.6
78.95770	1.0
79.49737	0.3
83.01263	0.5
85.02808	0.5
87.00752	0.3
88.98674	0.4
93.03324	0.7
96.95881	0.8
101.02362	0.3
107.01257	1.9
116.92746	1.9
121.02829	0.4
121.83650	0.2
123.04458	0.3
133.02774	0.3
135.04376	0.4
141.76012	0.2
149.99467	0.6
151.00288	3.2
155.03407	0.6
161.02359	0.5
173.04437	0.5
183.04413	0.3
185.02322	0.3
191.05551	2.4
192.05905	0.3
195.04478	0.3
209.11748	1.1
211.03914	0.8
211.13322	0.5
223.13351	0.3
227.03458	0.8
239.03499	0.7
249.14891	0.3
255.02968	15.3
256.03522	1.5
268.03815	1.4
269.04446	1.2
283.02448	2.7
284.03131	1.2
285.04144	1.4
383.05505	0.6
384.06827	0.4
385.07077	1.0
417.09464	0.3
428.05557	0.3
435.08640	0.3
439.08136	0.4
464.08774	0.3
465.09711	0.5
467.07739	1.3
468.08383	2.2
483.10837	4.7
484.11246	0.7
491.07556	0.5
492.08432	0.7
507.11255	1.3
509.08398	0.3
519.07355	0.5
535.06665	4.6
536.07477	21.7
537.07867	3.7
551.09821	100.0
552.10175	17.9
713.14832	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3233
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	4.8
58.00459	4.9
58.42532	2.0
59.01250	81.3
61.98704	91.4
67.01751	10.7
68.99680	36.2
69.03328	29.5
71.01259	38.7
71.51377	3.5
72.99176	4.6
73.02852	2.7
78.95789	5.4
82.05949	2.2
83.01244	3.6
83.04892	3.8
85.02827	11.3
87.00762	5.3
89.01770	3.8
89.02316	62.5
93.03341	18.9
95.01275	14.5
95.04900	29.6
96.95917	3.8
101.02322	59.5
101.91756	2.2
107.04908	2.1
109.02803	3.5
109.06512	2.5
111.00751	21.5
111.04410	2.4
113.02328	15.8
119.03390	24.7
119.04871	5.5
121.02840	100.0
121.06467	4.3
123.04404	33.3
125.02374	2.8
125.09615	7.5
127.03934	13.3
127.07526	3.8
135.04367	5.2
137.02312	2.5
139.00275	18.9
139.03906	2.6
143.03400	7.2
147.04405	7.6
149.02368	7.2
152.99509	2.3
153.01843	13.7
153.09102	15.3
155.03419	15.5
161.04462	9.7
163.03833	3.2
163.11194	3.6
165.05524	17.0
171.10164	19.5
173.04486	6.6
179.05542	43.4
179.07024	6.7
181.05029	5.4
181.12228	2.9
185.11798	9.5
187.07491	2.3
189.05704	2.0
190.02606	3.5
191.05554	31.1
191.10634	2.5
191.14348	5.0
197.11757	4.8
201.11102	2.2
207.10179	5.3
209.04587	2.7
209.11769	39.8
211.13368	2.6
215.07135	5.3
223.06084	36.7
225.11226	2.9
227.12949	2.3
236.10243	2.3
245.19101	8.8
289.18051	33.2
305.17642	3.4
307.19131	96.7
308.19513	10.1
325.20224	76.7
326.20480	4.8
333.08362	3.8
352.08188	3.2
364.13068	2.6
371.09845	46.1
372.10410	4.8
400.83929	2.5
403.12436	36.6
424.56659	2.3
429.22665	8.3
449.14584	5.0
479.22885	14.0
530.53754	2.7
584.33496	2.5
711.32556	20.0
712.32538	5.2
713.28491	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	711.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03484	0.4
58.00478	0.4
59.01252	7.0
61.98692	1.6
65.03837	0.8
67.01762	0.5
68.99701	3.5
69.03329	11.2
69.29637	4.2
71.01256	4.5
73.01027	0.5
78.95773	0.7
85.02813	2.4
87.00732	1.1
89.00537	0.8
89.02313	5.0
89.98330	0.4
93.03339	6.1
95.01247	0.5
96.95859	0.5
101.02322	9.4
109.02808	0.7
111.04427	0.5
112.04164	0.4
113.02345	2.3
119.03435	1.4
119.04923	38.4
120.05270	1.6
120.99531	0.8
121.02861	2.6
121.06494	1.0
122.02251	0.5
133.02895	1.3
134.03621	0.6
134.04573	0.4
135.01118	100.0
135.04422	1.8
136.01497	2.5
137.02341	1.3
143.03429	0.7
145.02847	1.3
145.06227	0.9
149.02339	0.8
150.03139	0.5
153.05482	10.3
154.05849	0.8
155.03394	0.7
161.02370	1.1
163.03960	2.9
165.05479	0.6
165.09138	0.4
168.33487	0.4
171.00664	0.6
173.04501	2.6
173.06012	1.3
177.01840	0.6
179.03435	1.5
179.05418	1.0
181.04961	0.6
191.05562	11.7
191.07106	1.8
192.05798	0.9
197.04436	1.2
203.03680	0.4
205.08540	0.6
209.02747	0.5
222.10263	0.4
223.09784	1.1
225.05890	1.4
235.06097	0.6
249.07716	0.7
267.08701	0.6
299.06012	1.9
313.07605	1.7
315.05472	1.6
353.08649	0.8
429.14047	21.9
430.14633	2.1
514.45801	0.5
547.14905	51.1
548.15173	8.5
711.20496	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96105	2.2
69.03336	1.1
70.58111	2.6
71.01260	11.0
73.02820	1.6
78.95776	2.6
78.98473	9.1
79.95600	12.8
80.96392	93.1
81.03371	1.0
85.02804	3.3
87.00751	3.1
94.97963	20.9
96.95911	1.1
97.02830	1.8
98.19844	1.3
99.00704	1.3
101.02288	3.0
106.97960	3.9
109.06422	1.2
122.97453	4.1
125.02369	4.1
134.97504	5.4
136.99020	2.7
138.69026	1.2
148.99039	8.9
152.98511	6.4
152.99606	1.5
164.98546	14.1
170.73926	1.2
171.10184	3.2
206.99651	3.5
225.00691	22.5
226.00908	1.4
255.23262	4.8
274.09134	1.2
453.14523	4.4
504.35065	1.1
537.27252	2.0
607.43115	1.4
709.38373	100.0
710.38715	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	709.3807
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81925	1.1
52.34090	0.9
57.03318	1.3
59.01251	17.0
61.98708	6.4
63.02858	1.0
63.50172	1.0
68.12468	0.9
68.25414	0.8
69.03316	6.4
71.01256	5.1
78.95762	2.1
83.04877	1.9
83.48560	0.9
85.02802	2.0
86.63800	1.1
89.02312	1.8
93.03325	1.4
96.70972	1.0
97.06436	1.3
101.02312	4.4
107.04906	1.0
113.02347	1.9
125.09592	2.4
151.11241	2.3
152.99480	3.1
153.12718	1.8
161.04497	1.3
161.09618	5.8
169.08659	1.2
179.10689	7.8
187.75964	0.9
191.05504	5.3
197.11758	51.9
198.12025	2.5
209.11652	1.1
217.93343	1.0
223.13248	1.4
241.10718	2.8
249.18564	54.1
250.18800	4.8
253.09297	3.7
267.19678	1.1
277.21954	1.0
309.40549	1.1
459.18661	1.2
477.19745	1.7
673.78101	1.2
709.37964	100.0
710.38220	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	709.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40483	0.7
53.95127	0.7
57.87037	0.6
63.96091	1.4
71.00973	0.7
71.01252	7.1
73.02817	1.4
76.04585	0.7
78.95766	3.1
78.98460	6.4
79.95603	12.1
80.96385	76.9
85.02801	3.1
87.00738	3.0
94.97958	16.8
96.92009	0.7
96.95882	1.5
97.02809	1.6
99.00711	1.0
101.02303	2.0
106.97971	3.9
122.97470	3.9
125.02321	2.9
127.03869	0.8
134.97462	4.8
136.99023	1.6
148.99051	6.7
152.98491	5.7
152.99515	1.7
164.98555	12.2
167.00043	1.0
171.10115	1.5
206.99588	2.7
207.10088	1.7
225.00682	18.2
225.11240	1.5
226.01093	1.0
243.12125	0.9
255.23276	3.5
279.23325	4.1
324.71051	0.8
449.73523	0.8
453.14136	3.5
537.27771	0.8
637.23761	0.8
691.38739	0.9
709.38300	100.0
710.38556	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	709.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73173	1.3
59.01251	4.4
66.32170	1.3
67.01749	1.7
68.99716	1.8
69.03321	2.2
69.92686	1.1
71.01250	3.7
75.00753	1.5
75.05765	1.3
78.95772	1.3
85.02831	9.0
87.00754	3.9
89.02324	3.0
93.03339	14.4
96.95894	1.9
101.02315	2.2
108.04467	1.6
111.04419	1.5
113.02316	2.0
122.06035	9.0
123.00784	2.8
123.04411	1.6
127.03944	2.8
133.02901	1.5
134.06030	8.8
135.04451	6.4
136.07581	2.7
137.02373	1.5
138.05438	1.5
140.07077	10.0
149.04637	4.1
150.05554	2.6
151.03922	1.3
156.00552	1.2
160.03860	1.2
161.02313	7.0
161.04706	4.6
162.05528	7.4
164.03426	2.9
164.07086	4.9
166.04951	3.1
167.05855	1.7
173.04443	7.1
179.03365	4.5
187.08839	1.8
191.05540	100.0
192.05923	4.3
213.06638	3.1
213.10132	2.7
220.06105	3.4
226.07242	1.5
227.08293	7.6
227.11865	6.6
228.08920	3.4
228.12263	1.6
229.09831	1.9
229.13417	10.3
230.16469	1.8
239.11865	1.9
240.08876	3.2
241.09723	6.3
243.11276	2.9
244.11919	1.8
251.08139	1.4
253.09853	6.1
254.10387	2.5
255.07541	1.9
255.11304	9.0
256.12149	2.6
257.09271	2.3
257.12845	4.0
265.09857	5.4
267.11383	5.7
268.12054	4.2
269.04507	2.5
269.09219	2.0
269.12994	2.1
271.10831	3.7
273.08783	1.9
273.12402	4.5
278.06900	2.0
279.07684	4.3
283.07617	1.4
283.10831	7.3
285.12390	5.8
287.09369	4.7
293.09372	13.5
294.10034	8.9
295.10785	3.1
296.08090	2.7
297.08704	4.7
299.10046	1.6
301.08676	1.8
301.11819	6.5
303.13519	14.6
311.10364	5.6
315.09824	4.1
329.11325	1.8
343.12863	5.1
344.13422	1.4
353.08881	6.4
374.05579	1.4
387.11969	28.5
388.12448	4.5
389.13461	9.2
412.18677	1.5
431.96487	1.5
512.16010	1.4
517.13458	2.1
527.19086	4.6
528.19781	3.1
535.14380	1.4
649.25189	25.7
650.25287	4.4
658.57190	1.5
673.24609	3.5
691.26141	63.7
692.26654	11.0
709.18414	9.0
709.27350	18.1
710.18280	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	707.3633
Annotation	Unknow
Peak:m/z	Relative Intensity
57.89751	0.3
58.00475	0.7
59.01251	100.0
60.01591	1.3
60.22110	0.3
68.99685	5.1
69.03337	1.1
71.01257	2.9
71.37568	0.3
73.02807	2.0
78.95777	10.5
80.02629	0.3
81.03358	0.4
83.01294	0.6
83.04904	0.4
83.18706	0.3
85.02812	0.7
89.02337	1.0
93.03324	0.5
95.01262	5.8
95.04935	0.6
96.96854	1.0
97.02847	0.8
98.20678	0.7
101.02326	12.0
109.06495	2.4
111.78072	0.3
113.02352	1.0
115.19854	0.3
121.02875	0.9
121.06504	0.5
123.04406	12.1
124.04743	0.4
135.08043	0.4
149.02415	0.5
150.97990	0.4
152.99492	13.6
155.03412	17.3
156.03763	0.7
161.04518	0.5
161.51324	0.3
163.11195	1.7
165.05487	0.3
171.00601	1.4
171.10248	0.9
175.04037	0.7
181.05077	0.8
181.12350	0.9
189.09126	0.5
197.11836	0.6
199.09714	1.2
207.10194	5.3
208.10736	0.4
209.02194	0.4
219.42061	0.4
225.07707	3.8
225.11255	6.5
227.03294	1.0
229.49294	0.5
243.12436	0.5
253.21741	2.7
255.21016	0.5
255.23389	1.1
271.22888	0.5
273.22269	1.8
277.21722	15.8
278.22061	1.9
291.23300	12.6
292.23682	1.4
301.21774	1.5
319.22870	3.9
331.22482	0.4
349.23602	0.6
361.10773	0.9
373.24142	0.3
379.11661	0.6
435.14383	0.9
453.15302	10.4
454.15717	0.8
471.16245	3.5
483.27216	0.3
689.36768	4.3
690.37445	0.8
707.37671	5.7
708.38550	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	707.3491
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	32.3
61.75861	2.1
61.98703	15.7
69.03320	2.8
71.01250	20.4
71.50888	2.9
73.02815	4.7
78.95775	25.0
81.03326	2.6
83.01234	2.8
83.04890	3.8
85.02813	7.9
87.00751	5.2
89.02316	20.2
90.13313	2.1
93.03368	13.4
95.01276	2.2
96.96832	2.6
97.02827	3.8
97.06451	4.9
101.02331	17.9
105.03323	8.2
108.02094	2.1
109.02830	2.9
111.04361	2.9
113.02319	8.4
115.71348	2.0
117.03337	4.4
119.03361	6.3
125.02303	6.2
127.03866	3.1
132.02065	3.2
133.02849	32.0
134.03625	45.1
135.04424	23.4
137.02316	10.1
139.03906	3.4
143.03491	2.4
152.99486	9.4
155.03380	2.6
160.01596	2.7
161.02342	9.2
161.04465	4.6
162.03136	15.5
173.04449	9.0
177.01842	7.6
178.02582	9.7
179.03389	8.8
179.05548	4.4
191.05521	22.2
201.11298	3.3
209.11722	9.1
231.10193	21.5
235.08191	9.3
249.18570	47.2
250.19083	2.6
253.09048	2.5
260.81000	2.1
275.09250	100.0
276.09586	9.9
293.21194	2.9
334.06998	18.8
390.02106	2.2
397.13492	58.3
397.18616	3.5
398.13718	3.2
415.14609	19.6
431.13583	4.6
449.14432	8.5
469.10867	3.5
480.58463	2.5
580.20490	2.8
671.38556	6.2
675.35248	3.0
707.36377	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	707.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	2.6
61.98690	1.5
63.02272	0.9
65.00215	1.2
67.77849	0.4
69.79811	2.9
76.93088	0.5
78.95776	3.8
83.01266	1.0
87.00736	0.6
93.03350	1.8
107.01265	2.4
117.03346	2.8
135.04443	1.4
137.22836	0.5
145.47285	0.4
149.02315	1.9
151.00279	3.4
152.99527	2.3
159.04402	1.2
161.02347	1.6
167.44763	0.5
169.06384	0.5
171.04420	1.1
173.04398	0.6
179.03462	1.6
183.04433	0.5
184.05180	0.6
191.05530	5.6
195.04391	0.6
196.05215	0.9
197.05934	0.5
198.03021	0.6
201.05476	0.7
209.11833	0.8
211.03934	1.1
211.13161	0.5
212.04590	0.5
225.05476	1.2
227.03323	0.8
239.03465	3.2
240.04218	4.3
267.03018	1.9
268.03760	98.9
269.04517	95.9
269.07611	0.7
270.04892	7.5
277.21689	1.3
279.23318	0.6
281.04587	1.0
283.13333	0.5
297.04010	2.3
311.05646	2.0
311.21835	0.5
341.06265	0.6
353.08722	0.6
377.13574	0.5
413.08820	1.5
434.46689	0.6
485.10712	1.9
527.15424	1.1
533.09430	0.6
595.21729	1.1
609.23468	6.5
610.23810	1.6
707.30695	100.0
708.31000	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	707.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	1.7
61.98705	0.7
63.02267	1.7
65.00195	1.6
71.21767	0.4
76.55031	0.2
78.95789	0.5
83.01262	1.3
101.40611	0.2
105.03338	0.3
107.01275	3.3
107.98209	0.2
109.02827	0.9
121.02841	0.5
123.00797	0.2
127.13629	0.2
132.02077	0.3
133.02843	5.4
134.03676	1.5
135.00732	0.2
148.01552	0.5
148.23729	0.2
149.02339	1.9
149.99461	0.6
151.00269	6.3
152.99498	0.5
163.00291	0.2
169.01297	0.4
171.04462	0.6
172.05034	0.2
174.03123	0.4
175.03918	2.7
177.01784	0.4
183.04453	0.7
185.06058	0.7
186.03149	0.2
187.03949	0.5
188.04567	0.5
191.05533	0.4
195.04240	0.3
197.06058	0.5
198.03094	0.6
199.03931	3.0
200.04681	0.8
201.01863	1.0
211.03970	1.5
211.38174	0.2
212.04706	0.5
213.05466	0.5
214.02644	0.3
215.03471	0.6
217.04968	1.4
227.03496	1.6
228.04042	0.4
228.38519	0.2
229.05028	0.3
239.03651	0.5
240.04118	0.3
241.05048	1.3
243.02953	0.5
255.03000	1.5
256.03714	3.8
257.04337	0.8
267.02887	0.5
269.04449	0.4
283.02481	0.9
284.03253	59.0
285.04007	100.0
286.04382	7.7
297.04025	0.7
299.05444	0.3
327.04968	0.8
349.19189	0.3
402.15759	0.2
429.07959	0.3
447.61411	0.2
707.30658	73.5
708.30957	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	707.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30329	0.2
57.03329	0.3
59.01250	1.5
60.01597	0.2
60.99175	0.4
61.98696	0.5
63.04417	0.2
67.01753	1.3
68.99672	0.4
69.03336	0.8
70.65406	0.5
71.01247	1.8
71.28889	0.2
72.99181	0.3
73.02808	0.3
75.00744	0.2
76.25125	0.2
81.03316	0.4
83.04902	0.4
85.02820	6.2
87.00752	2.5
89.02317	0.6
93.03332	9.4
94.03673	0.3
95.01250	0.3
96.95889	0.4
97.02866	0.3
99.00757	0.4
99.04400	0.3
101.02316	1.5
109.02837	0.7
111.04408	1.7
113.02334	0.4
119.04919	0.2
121.02859	0.2
122.05977	0.2
123.04366	0.3
123.48543	0.2
125.02363	0.2
127.03909	1.5
129.01851	0.3
133.02858	1.2
134.03627	0.4
135.04408	6.7
135.05444	0.3
137.02332	0.4
150.03119	0.3
155.03389	1.1
155.10677	0.5
161.02351	3.7
162.02682	0.2
163.03896	0.5
165.05444	0.4
171.02887	0.5
173.04442	3.9
177.01852	0.8
178.02650	0.2
179.03406	5.5
180.03789	0.3
191.05531	100.0
192.05867	3.8
201.11249	0.5
209.11729	0.4
285.03882	0.4
346.19989	0.2
348.17514	0.2
351.07043	0.2
353.08755	14.6
354.09033	1.3
361.16620	0.5
475.21753	0.3
545.26385	0.2
610.14978	0.3
707.25513	7.6
708.26105	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	705.167
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99627	0.6
57.03319	0.6
59.01245	1.1
60.99164	1.3
67.01759	3.1
69.03325	1.1
69.62859	3.6
71.01253	1.9
81.03319	1.1
85.02819	7.7
87.00743	7.4
93.03336	21.8
109.02840	1.7
111.04401	4.6
121.02857	1.0
127.03915	2.0
129.01878	0.7
133.02840	9.3
134.03590	1.0
135.04419	3.9
137.02400	1.2
150.03108	0.8
155.03419	1.0
161.02347	33.0
162.02699	1.2
162.56767	0.5
165.05424	0.7
171.02911	0.7
173.04472	8.5
174.04875	0.6
175.00320	0.7
176.01125	0.9
177.01863	4.1
178.02606	1.2
179.02061	0.5
179.03378	3.5
191.05536	75.7
192.05894	2.6
215.05606	1.4
240.87363	0.6
272.11453	0.7
339.05072	18.8
340.05362	1.3
347.17148	0.8
351.07242	7.7
498.30060	0.6
513.10364	100.0
514.10706	11.7
666.09668	0.6
699.54980	0.7
705.16718	3.5
706.16833	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	0.4
59.01240	1.7
60.99179	1.3
65.03814	0.4
67.01767	3.6
68.99673	0.3
69.03320	1.2
69.70303	1.8
71.01256	2.6
73.02808	0.6
81.03346	1.0
83.04897	1.2
85.02290	0.4
85.02824	12.0
87.00751	7.7
93.03339	26.5
94.03679	0.9
95.04915	0.6
96.95874	0.3
98.19859	0.3
98.24586	0.3
99.00754	0.4
99.04411	0.8
101.02338	0.4
105.03358	0.7
109.02837	2.0
109.54854	0.3
111.04405	4.7
113.02343	0.5
121.02859	4.5
123.04405	0.3
127.03891	2.8
129.01836	1.0
133.02843	5.6
135.04427	3.9
137.02347	0.8
139.00380	0.4
155.03403	1.5
161.02353	16.5
162.02687	0.8
171.02948	0.9
171.73839	0.3
173.04472	8.2
177.01880	2.1
178.02634	0.9
179.03424	2.3
189.01868	0.4
191.05545	100.0
192.05881	3.8
205.84795	0.3
215.05527	2.2
221.06070	0.6
223.07555	0.5
237.05652	0.4
239.07072	1.9
249.05618	0.5
251.07133	0.5
261.38104	0.3
265.05014	0.3
267.06616	1.2
283.06119	1.1
295.06143	1.0
307.08347	0.3
311.05682	3.7
321.04132	0.7
339.05090	16.9
340.05240	1.4
351.07159	5.7
352.07584	0.5
353.08759	1.0
422.97079	0.3
484.07870	0.3
487.11887	0.3
513.10376	75.4
514.10785	9.1
611.67621	0.3
705.16718	3.1
706.17004	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.246
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64287	1.0
59.01254	6.1
61.98713	7.6
66.09638	0.8
67.01782	1.3
68.99670	3.1
69.03312	1.8
69.72414	1.3
69.72825	4.1
71.01252	4.6
78.95781	1.7
83.04865	1.2
85.02821	5.3
87.00737	1.9
89.02296	2.1
93.03323	9.2
94.02848	1.3
96.95844	0.9
99.01869	1.0
100.00260	2.7
101.02303	1.8
107.04898	1.2
119.04926	12.2
122.02348	2.9
127.03912	1.2
131.03629	0.9
133.58824	1.0
134.05962	2.9
135.04390	2.2
136.03934	0.9
142.06505	2.9
152.07127	1.0
158.03615	1.0
163.03922	9.5
166.06531	1.2
167.06029	3.0
171.14977	1.0
173.04510	4.2
180.06543	8.0
181.07613	3.0
191.05547	33.2
192.05861	2.7
193.07600	1.6
193.79868	1.1
194.09752	1.0
195.09148	1.3
199.09525	0.9
201.11174	1.3
206.04503	10.0
209.07150	5.1
209.11821	4.5
217.07646	2.3
219.09236	2.8
220.06136	1.2
221.07074	3.2
225.11201	1.1
233.07143	1.0
235.08759	11.4
237.06725	6.5
237.10280	12.0
239.08211	2.0
247.08731	24.0
248.05824	1.7
248.08972	2.0
249.10239	3.1
250.07408	2.6
251.08153	3.0
261.06720	1.8
263.08246	13.3
264.08231	1.9
265.09805	48.3
266.10254	4.5
285.04138	1.2
289.09708	1.5
291.07715	25.4
292.08047	2.1
293.09296	1.7
299.11905	0.9
304.10770	3.9
308.10352	1.3
317.12869	2.8
329.13919	1.3
343.10852	1.1
348.09955	1.5
361.12021	1.6
410.14838	1.8
444.15509	2.3
454.13852	2.8
472.15125	33.3
473.15314	3.6
513.09680	1.0
514.16113	2.9
524.17969	3.8
542.19305	2.3
704.24475	100.0
705.24774	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	703.3547
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50044	0.8
54.25271	0.8
59.01253	12.9
61.98703	18.2
68.35477	0.9
69.03329	1.3
71.01249	7.3
72.99141	1.0
78.95761	3.7
79.95601	1.4
80.02544	2.1
80.96405	1.0
81.03320	3.0
83.04898	8.0
85.02821	3.1
87.00745	2.3
87.31243	0.9
89.02311	5.3
93.03307	3.2
95.04896	1.0
97.02814	5.1
97.26683	0.9
98.19680	1.9
99.00738	2.4
101.02318	7.2
107.04916	1.1
109.06467	23.4
111.04413	2.1
113.02335	1.8
121.06473	1.4
125.02390	0.9
125.09666	1.7
135.04405	1.0
135.08006	4.0
136.05234	1.6
140.76161	0.9
155.03412	0.9
161.04436	2.1
161.09674	1.2
163.11191	16.9
164.11458	1.4
165.12727	3.4
171.10085	1.1
173.04492	1.6
173.34132	1.0
181.12154	5.3
185.11760	2.4
189.09166	2.3
191.05562	10.0
191.10635	1.6
197.11824	2.1
201.11194	0.9
207.10194	60.2
208.10503	4.0
209.11766	100.0
210.12114	7.8
211.38365	1.0
221.11653	1.1
225.11276	29.1
227.03593	0.9
227.12825	15.4
231.10161	1.0
235.08167	3.7
243.12265	0.9
249.11238	1.1
253.09236	9.9
255.23116	1.1
265.14526	1.5
269.04565	7.9
270.04855	4.7
285.03976	2.6
326.64670	1.0
373.24188	0.9
399.21771	5.9
417.22934	4.1
443.19202	3.1
461.20261	10.4
462.20477	1.3
585.34521	1.2
635.30786	11.6
636.31146	2.5
640.20935	3.6
653.21814	1.4
653.31781	10.4
654.31812	1.9
671.32819	22.7
672.32733	4.9
703.34229	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	1.4
57.73734	1.1
58.00463	4.5
59.01250	78.1
61.98688	1.7
68.99682	2.1
69.16251	1.4
69.63268	5.7
69.63674	2.5
71.01251	78.9
72.01588	1.1
72.99172	8.6
73.02818	4.3
77.22507	1.5
78.95757	1.1
81.03322	1.4
83.01254	4.5
85.02822	14.5
87.00723	6.1
87.44729	1.1
89.02315	82.5
93.03355	3.0
95.01259	6.3
99.00777	2.1
101.02322	40.6
111.00751	1.2
113.02335	29.0
119.03385	26.3
121.02809	3.4
127.74377	1.2
131.03375	3.2
133.02831	4.0
134.03609	1.8
141.01755	1.7
143.03381	5.3
145.02722	1.7
147.04382	1.9
149.02332	14.5
149.04460	2.8
149.05977	2.4
150.03101	5.1
161.02455	1.3
161.04436	7.3
161.05708	1.7
162.03105	6.8
163.03825	1.2
164.04623	2.2
165.02095	3.3
165.05447	3.5
166.06319	1.3
169.82690	1.4
173.04385	1.2
177.05504	5.5
179.05530	19.4
181.08611	1.6
191.05579	8.0
195.06506	2.2
314.11612	4.6
329.13977	8.1
335.02002	1.5
343.14191	2.9
449.18143	1.3
491.19208	100.0
492.19604	12.0
503.19214	2.5
521.20557	3.1
525.16418	1.5
653.25122	7.0
701.26056	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	702.4347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	0.7
59.01250	1.8
69.03314	3.6
71.04947	0.6
78.95773	34.7
81.03320	4.0
83.01283	0.8
83.04894	1.0
84.02039	1.1
93.03341	0.7
95.04897	2.4
96.96824	0.7
97.02849	2.1
97.06480	0.9
99.04414	2.2
109.02841	5.3
109.06455	3.3
111.04404	2.3
117.60748	0.5
119.04939	1.1
121.06499	1.2
122.98428	9.6
123.04395	0.8
123.08031	4.7
133.06395	0.7
134.98447	0.9
135.08040	1.2
145.02841	2.0
145.10130	1.1
152.99454	6.6
153.00398	0.6
161.09650	1.5
163.07547	0.7
163.11201	5.8
165.09117	0.7
168.04214	7.1
171.08112	0.6
177.09131	0.6
177.12756	0.7
179.10661	2.1
189.09174	3.1
195.13824	1.4
207.10204	11.2
221.11752	8.2
224.06909	5.0
224.10478	7.4
225.11128	1.7
239.12848	93.9
240.13170	7.9
242.08052	0.7
255.23260	100.0
256.23596	8.9
276.82574	0.6
359.23792	0.6
391.22440	1.9
446.19208	1.3
462.29703	2.0
464.20566	1.4
480.31033	9.4
481.31134	1.1
572.67725	0.6
617.35132	0.6
637.86298	0.6
643.36237	9.2
644.36389	2.0
702.43488	33.1
703.44049	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	701.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07164	0.7
59.01244	100.0
60.01570	0.9
60.57000	0.7
61.98700	1.1
69.49475	0.7
78.95758	3.6
86.37067	0.6
98.19746	1.4
101.60213	0.7
152.99481	1.9
191.05510	1.0
230.28833	0.9
236.85167	0.7
255.23244	2.3
295.22760	1.7
389.24371	1.0
437.12570	0.8
438.13461	3.1
452.14761	2.1
453.15280	0.9
480.14465	1.1
481.15173	30.5
482.15247	7.6
495.16687	10.8
496.16934	3.0
497.18277	5.4
498.18097	0.9
509.14883	0.8
514.14813	2.6
523.15778	1.0
539.15656	2.5
540.16504	6.7
541.16876	2.1
553.17291	1.1
554.18243	3.0
555.18817	51.7
556.18994	13.5
568.18939	1.1
572.15460	13.4
573.15662	3.2
586.16980	5.5
587.17169	1.7
609.20313	1.2
627.21185	1.2
641.22473	23.5
642.22711	6.1
701.24658	59.2
702.24823	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	700.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52953	0.2
59.01244	1.5
61.98700	100.0
62.98384	0.2
69.03339	0.2
71.01241	1.1
72.99181	0.2
85.02838	0.3
87.00778	0.2
89.02316	2.0
90.02682	0.4
91.02752	0.3
93.03366	0.4
99.28065	0.1
101.02335	0.3
110.98534	0.1
113.02322	0.2
120.99531	0.1
121.22182	0.1
123.04401	0.2
131.03406	0.3
135.04408	0.3
149.02347	0.2
149.04428	1.0
150.03192	0.2
150.04796	0.2
151.03877	0.2
151.04988	0.2
155.10596	0.1
165.05519	0.2
173.04413	0.3
191.05544	1.6
212.35236	0.1
225.30893	0.1
283.09677	0.2
284.10037	0.2
311.09415	0.5
312.09570	0.8
313.09912	0.5
314.10382	0.2
325.73355	0.1
326.11554	0.4
327.11942	0.6
328.12369	0.5
329.12619	0.4
341.13916	0.9
342.14307	1.7
343.14618	0.9
344.14755	0.8
701.25940	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.23
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34825	0.7
57.03329	0.8
58.00469	1.8
59.01252	25.1
69.03326	48.5
69.46716	5.4
70.03659	1.7
71.00901	1.5
71.01256	19.6
72.99184	1.7
81.03334	1.9
85.02825	4.1
87.00779	1.3
89.02317	19.7
93.03315	0.8
95.01263	1.3
95.04902	5.0
97.02863	1.8
98.19813	1.2
99.04394	3.7
101.02336	10.4
103.95030	0.7
107.04898	1.3
113.02328	5.9
119.03405	8.4
119.04906	10.4
121.02863	2.0
121.06464	9.8
125.05963	2.8
128.76154	0.8
132.26212	0.7
139.07521	1.1
143.03406	2.1
149.02391	1.2
151.03998	1.1
151.07555	16.9
161.04494	1.7
163.03909	11.7
164.04260	1.1
169.08621	5.4
179.05495	2.2
191.05489	1.4
193.04942	1.5
195.06581	7.4
196.06979	1.6
218.10451	0.8
218.67999	0.9
325.09354	1.2
340.24954	1.0
373.11252	2.4
374.11844	2.6
375.12939	100.0
376.13336	10.4
499.39233	0.8
595.31561	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.4324
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00449	0.2
59.01252	2.4
61.98704	1.1
62.75202	0.2
69.21061	0.2
71.01254	2.5
72.99174	0.2
73.02827	0.6
78.95771	0.4
80.02544	0.4
81.03337	0.6
83.01264	0.5
83.04894	2.4
85.02822	0.7
86.00060	0.2
87.00752	0.7
89.02309	1.6
90.72191	0.2
94.41727	0.2
95.04906	0.4
97.06506	0.2
98.19776	0.5
99.00755	0.4
101.02340	2.7
109.06496	0.2
113.02336	1.1
115.86879	0.2
119.03387	0.5
119.97320	0.2
133.04926	0.2
135.08057	0.2
140.87242	0.2
145.04965	0.7
152.99503	0.4
161.04449	1.1
163.11241	1.5
165.12733	1.3
165.13977	0.2
181.12209	0.3
186.16513	0.2
191.10638	0.7
191.57146	0.2
205.57407	0.2
207.10220	0.4
209.11768	61.1
210.12111	3.7
225.11418	0.2
227.12840	7.6
228.13184	0.5
235.05823	0.3
235.08174	6.0
235.10434	0.4
253.09285	7.7
253.21696	100.0
254.09534	0.2
254.22057	8.2
255.23251	1.3
293.21167	0.5
445.20743	0.4
489.30661	0.7
701.91888	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
59.43246	0.1
61.98685	0.4
63.02271	0.8
65.00192	2.3
70.89072	0.3
72.43447	0.1
83.01250	0.9
93.03302	0.2
104.01547	0.2
107.01257	2.7
117.03320	0.4
121.02817	0.3
126.14981	0.1
132.02074	0.3
133.02824	0.4
135.04376	0.2
142.92780	0.2
149.02371	1.2
151.00261	4.3
152.00598	0.2
152.99504	0.2
175.03925	0.2
177.01842	0.2
179.77785	0.2
179.98509	0.1
183.04414	0.3
191.05594	0.8
195.04427	0.4
199.03825	0.3
200.04675	0.2
201.05478	0.3
211.03838	0.5
223.04021	0.2
224.04849	0.1
225.05435	0.2
227.03448	0.2
228.03914	0.2
239.03523	0.8
240.04176	0.3
253.04988	0.7
255.02986	0.8
255.23244	0.4
256.03748	4.6
257.04044	0.4
267.02936	2.7
267.05515	0.3
268.03732	2.2
269.04498	4.1
270.04865	0.4
283.02432	0.2
284.03247	5.0
285.04013	4.6
285.07162	0.3
293.21262	0.2
341.08191	1.1
361.07300	0.2
384.51352	0.2
385.07190	3.0
386.07455	0.3
403.08276	1.0
427.08365	0.2
429.05884	0.3
451.08087	0.2
469.09167	2.0
470.09354	0.3
493.09460	1.7
494.09448	0.3
495.07089	0.4
519.07605	0.2
536.07446	0.3
537.08228	100.0
538.08575	15.7
559.38324	0.2
561.08307	0.2
579.08917	0.2
618.56006	0.2
640.68146	0.2
699.13275	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.214
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	35.8
66.70115	1.3
69.03322	32.9
71.01252	25.1
72.99158	2.1
83.01289	1.6
85.02828	4.1
87.00745	2.9
89.02308	27.1
93.03329	6.0
93.99403	1.4
95.01239	1.3
97.02831	38.3
101.02317	10.0
105.03344	2.1
113.02312	8.4
118.02367	1.1
119.03382	8.3
119.04928	15.4
121.02872	2.1
121.06503	1.4
123.04405	7.6
128.06067	1.3
141.01834	2.0
141.69539	1.4
143.03426	2.1
149.05989	17.2
160.79636	1.3
161.04523	2.3
163.03914	16.8
164.04108	1.6
167.07062	9.5
179.05536	2.6
191.05481	1.4
193.05000	36.9
194.05336	2.1
285.83771	1.3
294.81873	1.6
325.09131	3.2
341.10684	1.9
373.11371	100.0
374.11835	7.6
374.15848	1.4
375.12799	2.2
387.32373	1.4
391.52411	1.3
401.07858	1.6
491.66031	1.3
547.59381	1.4
698.93872	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.2571
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00457	0.7
59.01248	12.2
61.98700	0.3
67.01767	2.2
68.99686	15.4
69.03328	2.6
70.53526	1.3
71.01249	9.0
72.99171	1.2
73.02821	0.8
79.01772	0.3
83.01271	0.6
85.02824	3.2
86.39366	0.3
87.00748	1.3
89.02322	10.6
89.86431	0.3
93.03322	2.0
95.01263	27.7
95.04898	0.6
96.01596	0.5
96.95861	0.4
97.02828	1.0
101.02323	26.7
102.02657	0.4
108.02033	0.6
109.02892	0.5
111.00751	0.4
111.04362	0.6
113.02319	3.8
115.00276	0.7
116.88495	0.3
119.03394	3.7
121.02840	0.6
122.02322	0.5
123.00786	0.5
123.04408	27.2
124.04730	0.9
125.02427	0.4
127.03899	1.2
130.08627	0.5
131.03395	0.8
135.04411	0.7
136.01575	2.3
137.02370	0.7
143.03392	0.9
149.02380	0.7
151.03911	3.1
155.03403	100.0
155.10675	1.2
156.03722	3.0
161.04424	0.7
167.03381	0.4
172.09830	0.5
173.04491	1.2
175.03819	0.4
179.03708	0.5
179.05539	2.8
191.05550	6.6
199.09677	1.1
207.06609	0.4
209.11739	1.8
303.10840	0.4
309.11923	0.4
358.10519	1.3
373.12802	7.5
374.13095	0.5
397.13483	0.4
433.17236	11.0
434.17490	1.3
445.34366	0.4
465.16107	44.3
466.16479	5.0
485.16650	2.0
503.17801	0.7
517.19269	0.7
518.19196	0.6
523.20325	0.5
535.20001	12.4
536.20313	1.4
665.22913	0.5
697.25476	5.6
698.25391	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03291	0.3
59.01251	1.4
60.13251	0.3
60.99174	0.7
61.98704	0.4
67.01758	2.9
69.03323	0.7
71.01246	1.8
72.99210	0.3
73.02807	0.3
81.03331	0.7
83.04903	0.8
83.80191	0.3
85.02821	8.5
86.03123	0.3
87.00755	4.6
93.03339	14.6
94.03646	0.3
99.04392	0.5
101.02310	0.4
109.02825	1.1
111.00746	0.3
111.04412	2.4
119.04906	0.4
127.03934	2.2
127.65202	0.2
133.02835	2.6
134.03632	0.9
135.04413	23.0
136.04770	0.8
137.02327	0.4
155.03360	0.7
155.10716	1.2
161.02356	9.0
162.02733	0.4
171.02911	0.9
173.04485	2.7
173.39824	0.3
179.03415	12.3
180.03749	0.9
191.05540	100.0
192.05887	4.1
199.09630	0.7
241.10934	0.4
255.10291	0.3
353.04663	0.4
353.08795	7.2
354.09094	0.5
395.09839	1.3
497.13269	0.5
535.18188	0.3
697.23468	42.3
698.23700	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	697.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	26.8
67.06586	0.7
68.99678	1.2
69.03326	5.5
70.69056	0.7
71.01251	24.4
71.50456	0.7
71.50845	0.9
72.01579	1.0
72.99169	3.2
73.02830	1.0
74.98959	1.9
79.38271	0.7
83.01266	1.3
85.02813	3.2
87.00737	2.1
89.02310	30.8
93.03308	2.2
95.01251	2.2
97.02824	2.0
99.00761	2.2
101.02323	16.5
101.02999	1.0
113.02334	10.1
119.03388	10.7
121.02840	1.7
123.04406	2.9
131.03352	2.4
143.03423	3.3
149.02357	2.0
149.04463	1.6
149.05974	2.7
149.99797	0.8
155.03430	1.7
159.04684	0.7
161.04471	3.3
165.02133	4.6
179.05522	9.4
191.05536	3.1
193.05017	6.4
207.62715	0.7
239.05865	0.7
285.06506	13.1
287.76678	0.8
341.10852	100.0
342.11203	5.2
355.10336	7.4
373.11526	2.4
411.11313	1.3
429.13913	2.0
434.84564	0.8
435.12521	1.0
465.12448	4.1
535.16742	10.2
536.17072	1.2
697.21478	11.6
698.21368	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	697.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98045	0.1
59.01248	0.7
64.52042	0.1
66.91586	0.1
67.01775	0.7
67.27153	0.1
68.99096	0.1
69.03327	0.1
70.36259	0.4
70.36595	0.1
71.01251	0.6
73.02815	0.3
75.46661	0.1
81.03353	0.2
83.04884	0.2
85.02824	5.0
86.03169	0.2
87.00751	1.4
88.98707	0.2
93.03339	3.5
99.04379	0.3
109.02831	0.4
111.04418	0.6
125.02320	0.1
127.03900	1.3
133.02872	0.9
135.04427	3.6
136.04773	0.1
137.02351	0.1
148.41864	0.1
155.03397	0.3
155.10703	0.3
161.02359	4.3
162.02672	0.2
171.02884	0.4
173.04475	1.2
179.03433	2.9
180.03809	0.1
191.05551	100.0
192.05885	4.0
199.09750	0.2
338.67944	0.1
353.08771	10.2
354.09222	1.0
359.08328	0.1
505.16693	0.1
686.10974	0.1
697.23529	6.5
698.23761	1.4
698.62738	0.1
716.76477	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69870	0.2
56.05706	0.2
59.01249	100.0
60.01587	0.9
61.98701	0.9
65.58916	0.2
70.25150	0.8
71.01258	0.3
78.09914	0.2
78.95771	0.3
79.26405	0.2
85.69125	0.2
93.03334	0.3
121.02859	2.0
122.49715	0.2
125.82294	0.2
135.04413	0.4
138.48422	0.2
147.77957	0.2
151.52509	0.2
155.03462	0.3
159.18648	0.3
161.02559	0.2
171.10223	0.4
191.03470	0.7
191.05537	1.0
197.11713	0.2
209.04515	1.7
241.89542	0.2
282.70047	0.2
295.94986	0.2
309.20654	0.2
575.11469	0.2
593.12738	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.3972
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17500	0.2
50.81477	0.2
54.68419	0.1
59.01247	0.4
61.98705	100.0
72.94949	0.2
78.95776	1.2
81.61299	0.1
85.02829	0.4
91.29608	0.1
93.03353	0.3
93.74453	0.1
95.85821	0.1
96.26665	0.1
98.20544	0.4
120.37511	0.2
125.09656	0.2
152.99524	0.6
153.09137	0.2
161.02367	0.2
171.10210	0.4
179.03435	0.2
181.08611	0.2
185.11824	0.4
191.05536	3.3
192.05962	0.3
197.11887	0.2
206.64824	0.1
207.10197	0.2
208.33157	0.1
209.11807	1.3
245.19167	0.3
249.18442	0.2
255.23424	0.2
260.23560	0.1
265.14749	0.3
277.21646	0.7
278.22131	0.3
289.18137	1.5
307.19144	5.0
307.22589	0.3
308.19540	0.4
325.20200	4.5
326.20618	0.4
597.38031	0.2
615.38953	0.2
633.40277	0.3
696.34558	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.4
55.33231	0.2
58.00467	0.3
59.01250	6.0
61.98686	0.3
68.53710	0.2
69.03341	0.2
71.01254	3.7
73.02818	0.8
76.84211	0.2
78.95786	0.5
80.02553	0.7
81.03321	1.1
83.01254	0.8
83.04898	4.1
84.02046	0.7
85.02814	1.1
87.00741	0.9
89.02306	2.3
93.03332	0.4
95.04897	0.5
97.06476	0.4
101.02324	3.2
107.38714	0.2
113.02312	1.9
119.03420	0.5
121.45665	0.3
125.05982	0.3
125.78918	0.2
135.08107	0.5
145.04971	1.0
161.04485	1.3
163.11195	3.4
165.12787	1.7
179.05521	0.4
181.12291	0.3
191.05566	0.8
191.10748	0.8
199.09694	0.5
205.19556	0.6
209.11761	76.4
210.12103	4.5
227.12827	8.3
228.13219	0.6
231.17570	0.8
235.08191	6.4
236.08548	0.3
249.18558	100.0
249.46423	0.2
250.16908	0.1
250.18898	8.8
253.09227	9.1
254.09586	0.4
277.21808	0.4
328.89511	0.2
445.20789	0.4
485.27563	0.5
602.30090	0.2
641.82129	0.3
644.00482	0.2
695.39740	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3282
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05066	0.6
57.03325	1.1
59.01250	6.8
61.98707	6.0
66.94107	0.5
67.01757	3.3
68.99685	19.5
69.03326	4.1
69.21349	1.8
69.21766	4.7
69.82995	0.6
70.81628	0.6
71.01250	5.7
72.99171	0.9
78.95772	2.3
85.02820	1.8
87.00739	0.9
89.02317	2.7
93.03322	3.0
93.23067	0.7
95.01261	35.6
95.04901	2.1
96.01622	1.0
97.02821	2.8
98.19847	1.1
101.02322	30.5
102.02647	0.8
108.02076	1.8
111.04436	1.0
113.02349	1.4
118.05294	0.6
119.03400	1.3
119.04865	0.9
121.02845	4.0
123.00790	1.0
123.04405	57.6
124.04746	1.7
125.02360	1.3
125.09586	1.0
127.03933	1.0
127.07504	0.7
135.04413	1.8
135.07970	0.6
149.02341	2.6
149.06010	0.9
151.54289	0.6
152.99448	0.9
155.03403	100.0
156.03755	2.4
157.07709	0.6
161.09599	0.7
163.11209	1.8
164.46704	0.6
165.05379	0.7
165.12703	1.1
171.10213	1.5
173.04449	1.5
181.04988	2.5
185.11714	3.1
191.05515	5.9
191.14365	1.8
192.05841	0.7
197.11798	1.0
207.10155	1.5
209.11766	8.4
210.12111	0.9
225.07642	13.3
225.11061	0.9
245.19112	2.9
249.15215	0.8
268.03690	1.3
269.04593	1.2
269.19061	0.7
289.18115	9.3
290.18494	1.0
291.19681	2.4
307.19131	14.5
308.19431	1.3
309.20651	1.9
325.20193	11.4
326.20517	1.6
331.19244	3.8
349.20139	2.1
391.21170	1.2
427.23520	1.6
449.14334	1.0
451.15051	0.8
469.24332	1.4
539.28931	3.3
540.28467	1.0
641.05701	0.6
661.80109	0.7
695.32861	33.3
696.33008	7.4
708.41541	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3284
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	0.6
58.00455	1.8
59.01248	27.4
60.01563	0.7
61.98698	4.7
62.82908	0.6
65.00195	1.2
67.01749	2.6
68.99316	1.0
68.99685	16.9
69.03325	8.3
71.01252	16.3
71.50393	0.8
72.99169	1.7
73.02789	0.7
78.95782	6.0
83.01244	0.9
83.04906	0.6
85.02835	4.1
87.00752	0.8
89.02315	16.6
93.03336	4.3
95.01254	2.4
95.04893	7.2
96.96843	0.9
97.02855	0.7
99.04382	0.7
101.02317	24.4
109.06470	0.8
111.00229	0.5
111.00774	7.0
111.08022	0.9
113.02337	6.1
119.03391	8.0
119.04916	1.2
121.02841	25.7
121.06493	1.0
123.04441	4.7
123.07934	0.7
125.02336	2.4
127.03885	2.8
127.11165	1.5
137.05963	0.7
137.09572	0.6
139.00262	6.5
139.25050	0.6
143.03349	1.9
147.04428	1.4
149.02350	4.2
151.11172	1.4
152.99483	3.6
153.01840	10.3
153.09117	0.8
153.12732	2.3
155.03389	0.9
155.10732	1.0
161.04442	1.9
161.05959	0.7
163.03986	0.7
163.11194	0.8
165.05489	4.3
165.12732	1.0
167.10719	0.7
169.12248	1.4
179.05548	9.9
179.07001	1.3
179.10698	0.7
179.14349	1.1
181.04895	1.1
181.12294	2.9
191.03458	1.9
191.05519	2.0
197.11742	2.0
207.13837	2.2
209.04498	1.2
209.11797	1.3
210.51604	0.8
215.12804	1.3
223.06075	9.0
224.06567	0.8
227.12828	0.7
228.13527	0.8
247.20592	3.2
263.20074	0.8
273.18613	2.3
281.21182	0.7
291.19659	21.7
292.19998	2.6
309.20694	100.0
310.21033	10.8
323.22406	1.0
325.21582	0.8
333.20743	0.9
344.16278	1.2
351.21442	0.7
369.24277	1.2
371.09738	9.1
377.62146	0.7
385.98032	0.7
387.21695	1.7
403.12396	12.1
404.12781	1.1
413.23361	9.0
414.23468	0.9
431.20389	0.9
445.22452	2.8
463.23404	17.0
464.23621	2.0
533.27557	1.9
541.79156	0.7
625.28656	2.0
695.32666	18.0
696.32971	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	695.3282
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09492	1.4
54.23026	1.6
57.03325	2.6
58.00460	1.9
59.01250	48.9
60.01605	1.3
61.40753	1.4
61.98701	4.8
67.01740	6.7
68.99685	21.5
69.03324	17.9
71.01251	32.2
72.99178	4.1
78.95779	4.4
83.01258	2.4
85.02813	6.5
87.00744	2.8
89.02316	36.2
93.03327	7.0
95.01260	5.8
95.04902	18.3
98.20583	2.7
99.04389	2.0
101.02325	43.4
111.00764	17.3
113.02341	17.1
119.03392	16.6
119.04922	3.4
121.02843	69.9
121.06462	1.9
123.04414	11.2
125.02383	3.8
127.03890	7.1
137.06001	2.0
139.00243	14.9
139.03903	1.4
143.03418	3.6
147.04388	4.9
149.02357	8.3
149.04395	1.7
152.99565	1.7
153.01849	14.8
153.05486	2.2
156.31956	1.5
161.04485	6.0
165.05470	10.6
165.12746	2.3
179.03314	1.5
179.03777	1.6
179.05513	24.9
179.07089	5.2
181.05016	2.3
181.12245	4.2
191.03419	4.3
191.05516	4.0
209.04382	3.5
209.11787	9.4
211.13211	2.5
223.06041	20.0
229.11549	1.7
247.20712	4.0
248.66599	1.5
267.19617	6.4
272.85916	1.5
273.18619	3.6
281.20999	1.8
291.19656	31.1
292.20096	3.3
309.20706	100.0
310.21002	9.1
323.22000	2.1
333.20676	2.1
350.00879	1.6
371.09772	23.1
372.10339	1.5
395.17786	1.6
403.12463	24.0
405.99829	1.9
413.23447	11.2
430.43369	1.5
431.20044	1.8
431.25034	2.2
439.78745	1.4
445.22232	3.9
463.23370	30.6
464.23712	4.5
512.90942	1.6
533.27649	3.0
625.28864	2.7
695.32806	37.9
696.33014	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	695.313
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
59.38741	0.5
60.01583	1.1
61.98711	1.1
63.11079	0.5
67.61098	0.5
74.74078	0.6
78.95773	16.4
78.96222	0.9
78.98491	0.6
80.96391	2.2
93.83923	0.6
114.37177	0.6
120.89962	0.5
134.97449	0.6
152.99493	4.9
183.40819	0.6
194.04436	0.6
198.52180	0.6
205.15833	1.5
209.11725	6.0
210.12140	3.0
227.12888	1.7
228.13089	1.0
255.23259	6.2
256.23572	4.3
257.23993	1.3
279.23279	1.4
285.12799	0.7
402.64963	0.6
427.18552	0.7
441.15143	0.7
447.13040	0.6
578.67737	0.7
694.40057	5.5
695.30756	59.1
695.39709	4.5
696.31293	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	695.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67096	0.1
57.03319	0.3
59.01255	1.2
60.99165	0.3
61.98703	0.6
67.01768	1.1
69.03333	0.5
69.34116	0.3
69.34516	1.3
71.01248	1.1
73.02861	0.2
75.00758	0.4
81.03336	0.5
83.04896	0.5
83.63593	0.2
85.02821	6.9
86.03166	0.2
87.00751	2.8
91.50071	0.2
93.03336	8.7
96.95872	0.3
97.02848	0.2
99.00766	0.2
99.04388	0.3
101.44595	0.2
109.02832	0.8
111.04411	1.4
117.64348	0.2
127.03912	2.1
129.01843	0.2
133.02881	1.3
134.03647	0.3
135.04411	9.0
136.04732	0.4
137.02339	0.6
143.03333	0.2
153.01842	0.2
153.09166	0.3
155.03392	0.5
161.02354	4.7
162.02649	0.3
171.02899	0.7
173.04456	3.3
179.03415	6.6
180.03752	0.3
191.05540	100.0
192.05876	3.6
239.09109	0.2
245.89665	0.2
255.03011	0.3
284.03287	0.8
297.04236	0.2
299.05612	0.9
335.07678	0.4
353.08771	9.1
354.09030	0.7
371.13358	0.5
380.33676	0.2
521.16791	0.4
533.22308	0.2
541.55792	0.2
607.16467	0.9
608.17163	0.3
651.22870	1.1
695.21875	17.7
696.22345	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	695.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99478	5.0
59.01252	17.7
61.98695	3.9
63.75042	0.5
65.03835	3.2
65.50024	0.5
67.01759	1.6
68.99688	9.2
69.03327	38.7
70.03672	1.1
71.01255	13.4
72.99183	2.0
83.01252	0.9
83.04916	0.9
85.02821	5.8
87.00763	2.2
89.01762	1.1
89.02315	16.1
93.03337	15.9
95.01266	1.5
98.19781	1.3
101.02322	27.1
102.97847	0.9
102.98489	11.5
109.02827	1.2
111.04402	0.8
113.02353	4.6
119.03381	7.0
120.99543	87.5
121.02845	3.3
121.06448	1.3
121.99886	2.0
131.03374	0.7
135.04411	2.1
137.02333	2.1
143.03369	1.4
145.02878	0.7
145.06514	1.4
147.04388	1.0
149.02351	1.1
153.00108	0.8
153.05478	38.3
154.05849	1.7
161.02467	0.7
161.04533	1.4
161.05923	0.6
163.07552	2.1
173.04475	2.1
173.06012	5.5
179.01616	1.8
179.03221	0.9
179.05519	2.7
180.02437	1.3
191.05525	23.3
191.07092	5.6
192.05873	1.4
195.04794	3.5
205.08597	1.8
209.11838	0.8
214.23524	0.6
223.09702	4.4
229.08734	0.7
233.08157	0.8
235.06108	1.1
249.07628	2.9
267.08707	2.5
283.06393	0.9
283.13510	0.6
323.34323	0.6
353.12396	1.9
356.34738	0.6
359.84622	0.6
393.79968	0.7
397.11319	2.1
401.79810	0.6
429.13986	100.0
430.14355	12.7
443.19196	1.3
494.55969	0.6
533.13306	15.6
534.13605	2.2
582.70642	0.6
677.28497	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	694.4298
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22875	1.5
59.01254	10.4
61.98703	10.3
71.01244	3.0
71.50485	1.7
78.95768	24.0
80.02558	2.3
81.03338	2.9
83.04898	7.6
89.02288	1.9
113.02326	1.9
134.03474	1.6
140.01042	7.9
147.11662	2.1
147.98784	1.5
149.06010	1.5
152.99469	5.7
157.08626	5.7
163.11241	5.9
165.12772	4.7
196.03772	4.3
196.72443	1.4
199.13277	3.7
204.45712	1.7
209.11763	100.0
210.12137	7.5
227.12846	23.4
255.23254	62.4
255.25967	2.6
256.23679	4.4
277.21765	7.0
278.22131	1.9
355.10605	2.6
356.10770	1.8
400.28751	1.8
452.28146	5.3
457.17792	2.3
458.17099	1.6
620.39746	2.3
662.40356	15.7
663.40613	4.3
694.42993	55.9
695.44293	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3856
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	0.3
59.01247	9.1
61.98701	2.2
64.17141	0.3
69.03335	0.6
71.01249	4.8
73.02811	1.6
77.27574	0.3
78.95782	0.9
81.03345	1.3
83.01248	0.6
83.04874	2.0
84.02032	0.5
85.02834	1.9
87.00748	1.4
89.02320	2.7
93.03355	0.5
94.41003	0.4
97.02834	4.4
97.06469	0.5
98.20628	0.7
99.00749	1.1
101.02319	4.8
106.04079	0.4
109.06474	16.8
110.03621	1.0
113.02344	2.4
119.03384	0.6
121.06472	1.3
123.04402	0.7
133.04904	0.4
135.08038	3.3
136.05186	1.3
142.02597	1.3
145.04945	1.3
152.99490	1.1
161.04442	1.5
161.09613	1.4
163.11192	10.0
164.11534	0.6
179.07089	0.7
179.10641	0.6
181.12347	1.9
181.13708	0.4
189.09200	2.3
205.19485	0.9
207.10201	54.8
208.10526	3.8
209.11789	1.4
225.11272	17.9
226.11589	1.2
230.03719	0.5
231.17467	0.9
235.08188	6.1
249.18558	100.0
250.18896	8.3
253.09270	10.7
253.11919	0.7
254.09676	0.5
277.21698	1.3
281.13907	0.4
299.14859	1.0
395.29517	0.5
399.23062	0.4
404.87277	0.3
413.30563	0.5
439.28702	0.6
443.19147	3.1
457.29764	0.9
461.20355	4.0
485.27661	0.5
580.85999	0.4
618.39453	0.4
675.37134	1.1
693.38489	24.5
694.38800	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	693.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03305	1.3
59.01253	6.5
60.99162	2.3
62.45423	0.9
67.01752	7.8
69.03313	2.2
70.36272	4.4
71.01266	6.4
81.03301	1.5
83.01234	1.1
83.04880	1.5
85.02817	10.2
87.00302	1.0
87.00751	10.6
88.86626	1.0
89.02287	2.1
93.03339	50.0
94.03646	2.0
96.95847	1.5
99.00710	1.4
99.04379	1.8
105.03309	2.4
106.06463	1.2
108.04405	1.8
109.02771	3.3
110.05938	1.3
111.04412	9.2
111.29058	1.1
113.02280	3.1
121.05242	1.3
122.06013	5.0
127.03835	4.1
129.01813	1.2
132.02092	6.3
133.02861	16.5
134.03592	2.1
134.06035	6.6
135.04405	10.4
135.06680	1.5
136.07562	2.7
136.46742	1.0
137.02327	2.4
138.05446	1.8
140.07088	8.8
142.24271	1.1
144.04454	1.3
146.03511	1.0
147.04323	1.4
149.04684	1.6
150.05484	2.1
151.03879	2.0
155.03313	2.9
159.04329	1.2
160.01578	15.6
160.03612	1.2
161.02350	6.5
161.04575	1.8
162.02953	1.3
162.05414	3.8
164.03317	3.2
164.07103	5.6
165.05470	1.1
166.04890	1.7
173.04474	28.2
177.01767	4.7
177.05391	2.4
178.02567	2.9
179.03490	6.5
185.02281	2.4
186.80615	1.0
191.05544	100.0
192.05795	4.1
193.04916	6.0
204.06482	3.0
211.08415	1.7
212.05844	3.1
215.05612	5.3
224.09323	1.2
225.06505	1.9
225.10284	1.7
237.10240	2.2
238.07176	1.3
239.08006	3.1
239.11717	1.7
240.08954	2.0
241.09637	1.2
243.11322	2.3
251.08188	1.3
251.11746	2.0
252.08795	2.3
252.12521	2.7
253.06219	6.0
253.09808	7.6
253.12164	1.2
253.12975	0.9
255.11299	2.4
261.12192	2.4
265.05826	1.2
266.06680	3.2
267.07541	8.2
267.11209	4.4
268.08325	3.0
268.11841	2.9
269.12732	1.6
270.09637	1.4
273.12314	4.9
279.07510	2.1
279.11835	1.4
280.08560	12.7
281.09308	15.6
282.09625	2.4
283.10648	1.6
295.10913	38.4
296.11609	14.9
297.12482	6.5
298.12402	1.3
299.10077	3.1
301.11575	4.0
303.10349	1.7
303.13492	19.3
304.13773	2.0
311.10516	1.2
313.11703	2.3
321.07553	2.7
321.14484	2.1
327.13428	11.2
328.10376	1.4
339.04977	1.8
339.09253	15.1
340.09918	3.3
341.11084	3.5
351.03693	1.3
351.07266	16.1
352.07657	2.0
367.10089	4.1
371.12570	9.2
372.12750	2.4
373.13995	2.1
381.09879	5.6
390.14404	1.8
404.15857	1.8
501.08167	1.3
501.14099	13.7
511.19159	4.0
513.06885	1.3
513.13995	22.6
514.13995	3.7
519.15302	1.6
557.23486	2.4
599.25122	5.4
601.23181	12.9
602.23059	1.7
617.25684	2.4
633.25830	7.4
634.26025	1.9
643.24182	31.3
644.24561	6.6
661.25110	18.7
662.24805	4.0
675.26703	15.7
676.26276	3.0
693.19684	36.6
694.19946	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	693.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03305	0.8
59.01255	3.8
60.98904	0.6
60.99172	3.5
61.98726	0.7
66.23179	0.5
67.01756	8.3
69.03337	2.3
69.25149	1.6
69.25564	3.5
71.01256	5.0
73.02828	1.1
76.15874	0.5
81.03330	2.0
83.04900	1.9
85.02817	10.7
87.00751	10.1
89.02323	0.8
90.37960	0.5
93.03333	58.9
94.03690	2.3
95.04939	0.7
98.19842	1.3
99.00773	0.7
99.04408	1.6
101.02370	0.8
101.03928	0.5
105.03333	1.3
107.04932	0.5
108.02032	0.6
109.02817	4.4
111.04408	8.0
113.02324	2.6
118.95232	0.7
122.05974	0.7
123.04391	1.0
127.03891	3.0
129.01820	1.3
132.02069	7.5
133.02850	16.4
134.03590	1.7
134.05977	1.1
135.04405	11.3
135.06833	0.7
136.04851	0.7
137.02336	1.6
140.07072	1.9
143.03372	1.2
146.03644	1.5
146.49982	0.5
150.03081	0.6
150.05417	0.5
151.03853	0.9
155.03392	1.6
160.01564	15.4
161.02359	7.2
161.04591	0.9
161.05945	1.3
162.03159	1.0
162.05540	1.1
164.03452	0.6
164.07147	0.9
173.04465	22.5
174.04805	1.1
177.01871	6.1
177.05492	2.1
178.02658	3.0
179.03403	7.3
185.02348	2.0
191.05531	100.0
192.05855	3.8
193.04973	5.9
203.03506	0.6
206.03754	0.6
211.08791	0.7
212.05902	0.6
215.05533	4.9
220.03705	2.4
224.09462	0.8
237.10349	0.7
239.08319	0.7
253.06291	1.1
253.09802	1.9
267.07712	0.9
267.11279	1.4
268.08289	0.8
268.12039	0.6
280.08334	2.2
281.09311	2.3
295.10861	6.4
296.11508	2.0
297.12280	1.1
303.13541	2.9
307.07999	0.7
321.07639	4.1
327.13452	2.2
339.08804	7.9
340.10068	0.9
351.07166	14.3
352.07703	0.7
367.10410	4.5
371.12476	1.3
381.09741	4.2
501.13983	13.1
502.14182	1.6
511.19403	0.9
513.13995	22.6
513.21667	1.2
514.14349	3.5
519.15216	1.5
557.24017	0.7
599.24811	1.0
601.22717	2.3
643.24457	3.3
661.25330	2.9
662.25037	0.8
675.26355	1.6
693.20172	37.2
694.20508	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	691.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	1.1
58.00482	1.0
59.01250	17.8
61.98700	7.9
67.01756	2.5
68.99638	0.5
69.03319	2.1
69.21553	0.5
71.01250	15.1
72.99181	1.1
73.02822	1.9
78.95778	8.3
81.03355	1.3
83.01248	1.6
83.04898	0.8
85.02819	8.0
87.00741	5.3
89.02316	12.5
93.03333	20.9
94.03742	0.6
95.01263	1.2
96.95885	0.7
97.02834	2.2
98.19820	0.9
99.00745	1.1
99.04510	0.6
101.02316	9.7
108.02068	1.0
109.02842	1.3
111.00768	0.7
111.04411	2.6
113.02330	5.4
119.03375	3.3
125.02335	3.3
127.03908	1.4
129.01816	0.8
133.02884	0.9
135.04404	2.5
136.07538	1.1
137.02347	1.3
138.84157	0.5
143.03404	1.8
147.04401	0.7
152.99507	4.6
155.03395	0.9
159.04405	1.0
160.05162	0.8
161.02325	2.4
161.04482	2.4
161.05969	2.1
163.07539	8.3
163.11118	0.7
165.05597	0.6
167.10663	1.1
171.10159	1.3
172.05225	0.7
173.04456	7.3
173.05989	2.3
173.86929	0.5
174.06638	0.6
175.03824	0.6
176.08389	0.6
177.01807	0.9
177.09123	1.3
179.03424	1.5
179.05518	2.5
181.12206	0.9
185.05975	0.9
186.06715	0.8
187.03915	0.7
187.07590	1.7
189.05495	1.3
189.09120	1.1
191.05534	60.6
192.05904	2.3
195.13835	7.7
196.14218	0.7
199.07607	0.9
200.04736	1.2
201.05562	1.6
202.06259	0.8
204.07866	0.9
205.12270	1.1
207.10159	2.0
209.11774	5.7
211.13333	2.6
215.07097	2.4
223.13364	5.1
225.05492	0.7
227.12834	1.5
228.13487	0.7
231.10335	0.6
231.21391	0.7
233.06650	1.7
235.08139	2.8
253.09238	1.6
273.14880	0.7
275.20172	3.9
283.13318	1.7
285.14926	0.6
287.07663	0.8
292.16785	4.0
293.21213	100.0
294.21545	10.2
301.14404	1.8
303.15982	1.0
311.12881	1.0
327.15964	1.0
327.21564	0.6
328.16714	1.2
329.13965	7.2
329.17438	1.1
329.23395	0.9
330.14267	0.8
335.18384	0.7
336.15735	2.1
337.11984	0.7
343.15344	0.6
347.18622	1.1
353.08566	2.8
361.10779	1.2
376.00534	0.5
397.13474	22.5
398.13647	1.8
415.09058	1.4
415.14542	24.9
416.14899	2.4
445.20764	0.7
465.22794	1.4
467.20493	0.9
499.23083	0.9
507.18802	1.0
508.19354	1.7
562.20349	0.6
594.23456	3.3
659.27209	9.1
660.27502	2.3
691.29230	9.0
692.30652	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47641	0.2
59.01233	0.3
61.98692	0.3
63.02259	1.1
65.00175	1.2
78.95786	0.6
83.01275	0.8
87.54519	0.2
106.33761	0.2
107.01270	2.2
117.03336	1.7
121.02819	0.3
134.84679	0.2
148.01550	0.7
149.02361	1.6
149.99504	0.5
151.00272	3.5
152.99493	0.5
159.04449	0.7
169.01367	0.6
169.06488	0.2
171.04439	1.0
172.05153	1.0
183.04466	0.5
183.95325	0.2
184.05270	0.4
191.05490	0.4
195.04483	0.5
196.05219	0.9
199.03899	0.3
200.04671	0.9
201.05469	0.5
211.03903	2.1
212.04639	0.8
224.04512	0.3
225.05464	0.7
227.03415	0.4
239.03456	3.7
240.04207	4.7
241.04608	0.3
245.47348	0.2
267.02948	2.1
268.03748	100.0
269.04419	29.1
270.04840	1.8
277.21710	0.4
281.04431	0.7
282.05206	0.3
283.06094	0.5
293.04639	0.2
297.03989	0.5
311.05664	1.2
323.05765	0.2
341.06778	0.3
413.08829	0.6
485.10907	0.7
499.12241	0.4
691.31140	64.8
692.31531	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	2.5
59.01257	10.8
60.99169	1.5
61.98709	8.7
62.39777	1.3
67.01752	5.3
68.99693	1.3
69.03339	1.6
70.97875	1.5
71.01253	12.5
71.50448	1.6
72.36374	1.0
72.80664	1.2
73.02783	1.3
78.95777	30.8
81.03300	1.9
83.04864	2.5
85.02816	12.4
87.00764	11.1
89.02325	7.3
93.03336	34.8
94.03629	2.5
96.96833	3.3
101.02310	5.6
102.68623	1.5
106.03947	1.3
108.02049	2.5
109.02817	2.1
109.06492	3.9
111.00710	1.3
111.04405	5.5
113.02345	2.5
125.02334	4.6
125.09614	1.5
127.03927	1.9
133.02789	1.5
133.39917	1.3
134.03769	1.3
135.04405	5.8
135.08047	1.3
136.01697	1.3
137.02345	1.8
152.99500	18.9
155.03455	2.2
159.04385	1.7
160.05156	1.7
161.02356	1.9
161.04568	2.4
161.05986	5.6
163.03824	1.3
163.06245	2.8
163.07542	27.7
171.10132	8.4
172.05209	1.8
173.04453	14.6
173.05992	4.9
174.03169	2.2
174.06831	1.8
175.07520	1.7
177.01741	1.4
177.09099	4.1
179.03392	4.4
181.04951	1.6
186.06850	2.2
187.03911	1.4
187.07607	4.4
189.05476	6.6
189.09085	3.1
191.05536	100.0
192.05861	4.9
199.07536	3.1
200.04755	2.1
201.05539	2.4
201.08955	1.2
202.06213	2.8
204.07826	3.9
207.10181	5.2
209.11732	5.1
211.13278	4.0
215.07178	7.5
217.08586	1.7
225.11331	3.2
227.03249	1.7
231.10223	3.0
233.06540	2.1
235.08163	3.2
275.20114	3.9
277.21747	2.2
283.13470	4.8
285.14957	1.7
291.16779	1.5
291.19608	8.1
292.16751	13.5
292.20001	7.1
293.21094	13.9
301.14328	2.2
302.15399	1.6
303.15912	3.8
309.15125	1.8
311.12781	2.5
325.14462	1.5
328.16730	2.6
329.13995	19.1
329.17572	3.2
329.23343	4.1
330.14322	1.9
336.15860	6.1
341.33133	1.3
346.17728	1.5
347.18646	2.0
361.10443	2.8
365.28079	1.5
370.14316	1.7
371.15005	2.0
397.13373	11.6
398.13757	3.9
399.13992	4.9
415.14532	6.5
416.14856	2.5
464.20706	1.8
465.22360	4.5
467.20532	4.5
499.23132	2.2
507.18689	2.1
508.19467	5.5
594.23419	11.9
595.23572	2.1
659.26837	16.7
660.27924	3.9
664.79736	1.5
691.32672	20.2
692.31500	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	690.1892
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81903	3.5
56.58414	3.5
57.03319	3.3
59.01237	30.2
59.99738	3.3
68.99684	8.0
69.03313	6.6
69.69108	20.5
71.01251	29.6
72.99190	5.6
73.02832	3.6
75.00746	3.8
81.66920	3.5
83.01261	4.6
85.02824	12.2
87.00752	51.3
89.02311	12.0
93.03342	5.8
95.04893	7.8
96.95881	9.9
99.00787	4.1
101.02325	23.8
111.00790	4.0
113.02327	13.4
115.00259	59.5
121.02840	6.0
121.06480	71.4
122.06043	4.0
126.05502	5.2
127.03947	4.8
140.03430	21.2
153.05473	11.7
161.05956	3.5
170.79903	3.5
175.02405	93.6
176.02644	5.5
181.04907	3.8
191.05513	9.2
193.04987	60.9
195.79099	3.6
203.22154	3.5
214.92674	3.3
334.09296	5.0
514.15656	100.0
515.15656	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	691.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04699	0.8
57.03316	1.7
58.00439	1.9
59.01250	46.3
62.03507	0.9
66.01662	1.0
68.99683	1.7
69.03326	10.8
71.01255	32.3
72.99159	3.9
72.99530	0.9
73.02820	1.2
78.04166	0.9
78.95752	3.4
80.04903	1.8
83.01256	1.8
85.02831	7.7
85.34340	0.8
87.00751	2.3
89.02318	23.4
90.63609	0.8
93.03316	3.6
94.06499	8.4
95.01249	2.3
95.04909	5.2
96.08038	0.9
96.95893	0.8
99.00746	1.3
101.01706	1.5
101.02321	20.6
104.04926	5.1
106.02840	1.1
106.06476	1.4
107.04876	1.3
108.04434	5.1
109.02859	1.9
110.05972	1.0
111.00810	0.9
113.02328	10.2
113.16743	0.9
119.03383	11.0
119.04890	1.5
120.04425	3.0
121.02817	1.8
121.05202	1.6
121.06430	3.6
122.05144	1.2
122.06010	20.9
123.04382	4.0
124.03890	0.9
124.07582	9.7
127.03890	1.8
131.03391	1.3
134.06017	1.3
135.04355	2.3
135.06671	0.9
136.03920	5.0
136.07559	1.2
136.70950	0.9
137.02347	1.2
138.05484	1.5
139.00267	1.5
140.07059	1.3
143.03412	1.4
148.03944	33.7
149.02332	2.0
149.04298	2.6
149.21437	1.0
150.05530	5.3
150.08035	1.3
150.09135	13.0
151.00230	1.6
152.07120	1.2
152.99442	2.9
153.01750	0.8
154.85521	0.7
155.03346	1.2
160.07538	2.1
161.04407	2.3
165.05482	1.7
166.05011	52.9
167.05305	1.6
168.06537	5.7
173.04398	2.7
174.14803	0.8
176.07005	2.8
176.10733	2.5
179.03459	1.1
179.05508	3.4
184.06062	2.5
186.09174	1.2
191.05536	12.9
192.05907	1.0
193.04906	1.0
194.04417	1.7
194.50320	1.0
195.06566	2.1
204.10220	13.8
210.04013	21.2
211.04358	1.2
213.12817	1.1
215.11908	1.3
227.09515	1.1
230.08183	5.7
230.11749	3.0
231.11293	4.3
241.09747	1.0
243.11279	4.2
244.11732	0.9
245.04213	1.3
255.11342	2.5
256.09830	1.5
256.13416	11.7
259.10779	1.9
272.11716	1.3
273.12488	14.8
290.12735	5.2
291.13513	20.4
292.13776	1.9
300.12381	4.2
301.11877	9.5
317.11255	1.8
317.14923	1.4
335.12457	10.5
353.14874	1.2
371.16156	9.2
387.67081	0.9
397.13452	1.7
413.59494	0.9
415.15009	2.1
423.19354	9.7
449.17429	0.9
467.18207	5.7
480.18881	1.1
511.16809	1.7
603.25281	1.3
647.24811	6.7
659.90039	1.1
673.21960	1.5
691.23389	100.0
692.23810	24.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3388
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77900	1.6
55.01765	2.7
57.03319	2.5
59.01254	14.3
61.98699	11.0
67.01753	2.4
68.99683	2.1
69.03306	2.5
71.01258	19.2
71.04897	2.2
71.51680	1.7
72.99209	1.7
73.02790	4.5
73.22174	1.5
78.95782	3.6
79.95606	2.7
80.02549	1.8
81.03320	2.4
83.01270	2.1
83.04895	6.9
85.02832	12.0
87.00745	5.8
89.02319	5.9
93.03342	14.3
95.01276	1.7
95.04889	3.9
96.95908	2.3
97.02824	4.9
97.06461	4.3
99.00769	19.5
99.04441	1.7
101.02322	10.7
107.01259	3.0
109.02839	2.1
109.06461	4.7
111.00753	1.5
111.04380	5.0
113.02325	5.3
119.03393	1.9
122.99100	1.5
123.04381	2.3
123.08056	1.8
125.02329	3.2
125.09625	12.2
127.03916	2.3
133.02814	4.2
135.04407	5.4
135.08115	2.8
137.02322	1.8
142.02608	1.5
145.02867	2.0
146.03639	2.3
147.04370	2.4
149.02422	3.1
150.03084	7.3
151.00252	8.2
155.03377	2.3
161.02383	4.6
161.04474	3.3
161.09706	1.8
163.11195	18.9
165.05450	4.9
165.12726	3.8
171.10184	24.3
173.04469	8.6
174.03160	4.2
175.03909	3.3
178.04819	1.6
179.10716	1.8
180.59103	1.5
181.12260	18.6
185.06056	2.1
186.02960	1.6
191.05542	82.1
192.05855	6.9
195.06465	3.5
197.11874	2.5
199.13300	9.4
201.11224	8.4
207.10188	36.3
208.10664	1.7
209.11766	86.8
210.12157	5.9
213.05400	2.6
225.11278	54.3
226.11580	2.9
227.03488	1.8
227.12840	13.2
235.08183	2.6
241.04999	5.9
243.12343	26.7
244.12529	1.8
253.09236	8.0
255.02975	75.0
256.03491	9.6
256.07358	6.8
269.04504	3.5
271.09851	10.4
283.02472	30.3
284.03247	96.2
285.03964	55.5
286.04379	4.7
291.19760	5.6
297.04095	5.0
298.04816	1.8
299.05502	2.5
313.03384	6.8
321.08435	1.8
343.08182	3.1
381.09973	8.8
391.36832	1.7
397.13419	1.8
447.09338	16.1
461.20401	5.7
475.10013	2.8
479.21158	13.3
481.18683	9.0
493.18469	8.1
592.14301	87.2
593.14728	15.9
619.61902	1.8
645.32483	1.8
659.17261	2.2
671.22070	1.9
671.33057	6.7
689.20514	6.6
689.33856	100.0
690.18665	1.6
690.22711	2.1
690.34271	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	689.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75455	0.4
57.03325	0.5
59.01239	3.1
59.75763	0.4
61.98721	1.0
63.02285	0.9
65.00220	0.6
71.01252	2.6
75.00758	0.7
78.95791	0.6
83.01247	0.8
83.04935	1.4
85.02808	2.3
87.00761	1.0
89.02355	1.2
93.03322	2.0
96.95883	0.5
97.02854	0.7
97.06479	1.0
99.00731	2.5
101.02349	1.7
107.01289	2.6
109.02801	0.8
109.06502	1.3
113.02361	0.8
114.33456	0.4
121.02870	0.5
125.02386	0.5
125.09642	1.4
133.02831	3.7
134.03604	0.4
135.04437	1.0
137.02391	0.4
146.03685	0.5
149.02345	1.7
149.05971	0.4
150.03102	0.6
151.00275	3.2
159.04527	0.6
161.02357	0.5
161.04500	0.7
163.11157	2.6
165.05478	0.9
171.10251	1.9
173.04474	1.3
174.03189	1.0
175.03926	2.0
177.01892	0.5
179.03543	0.5
181.12291	2.9
185.06064	0.5
191.05540	16.9
191.10818	0.4
192.05922	1.4
197.11850	0.5
199.03983	1.7
199.13345	4.1
201.01932	0.4
201.11198	2.2
202.02516	0.5
203.90509	0.4
207.10191	6.5
209.11771	17.8
209.13794	0.9
210.12148	0.6
211.03955	0.9
213.05617	0.5
215.03331	0.5
217.04956	0.8
221.29425	0.4
225.11284	10.4
226.11745	0.5
227.03423	1.6
227.12863	3.3
228.04213	0.5
230.38951	0.6
232.03313	0.5
241.04999	0.7
243.02795	0.6
243.12437	2.2
253.09264	1.6
255.02950	12.4
256.03632	3.1
257.04419	0.5
267.03079	0.4
283.02487	5.8
284.03250	37.0
285.04019	100.0
286.04407	8.6
297.04083	1.1
313.03534	0.9
316.09641	0.5
327.05130	0.7
339.05167	0.5
447.09161	1.9
461.20166	1.8
479.21036	0.7
497.21930	0.4
592.14252	14.9
593.15033	2.1
635.30627	0.6
639.20660	1.3
645.32141	0.5
653.17950	0.4
653.31433	0.9
657.21838	40.0
658.22144	9.3
671.32660	1.1
689.23779	1.2
689.33630	15.7
690.33612	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	688.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15238	0.6
53.01249	0.5
59.01251	4.8
60.14808	0.5
61.98691	2.0
66.77025	0.5
67.01749	0.6
68.99688	4.0
69.03313	2.2
71.01256	6.1
71.51116	0.8
72.00775	1.3
73.02801	0.7
78.95770	1.8
83.01237	0.6
83.04852	0.8
85.02805	2.0
85.91118	0.6
86.30064	0.7
87.00737	0.7
89.02296	1.5
93.03315	2.8
94.02843	1.3
99.01849	0.6
101.02318	2.0
109.02826	0.7
113.02319	1.3
116.04926	1.5
118.06496	2.2
122.02344	2.1
123.04343	0.6
127.03938	0.6
133.02779	0.8
135.04410	2.1
142.06503	2.0
147.03294	0.9
147.04410	9.1
150.02985	0.6
152.99457	1.2
161.02412	0.7
161.06044	0.6
163.11232	0.9
164.07071	5.6
166.06593	1.2
167.06052	2.7
169.07588	1.0
171.10141	2.9
173.04442	1.2
179.03418	0.8
181.07608	1.8
186.05559	1.0
186.32062	0.6
190.05014	9.2
191.05521	15.5
193.07617	1.9
194.06146	0.8
194.09581	0.8
195.09251	1.6
196.07756	0.6
201.11211	0.8
204.08057	0.7
207.10222	1.0
209.07182	5.9
209.11784	7.8
210.12138	1.0
217.07730	1.0
219.09189	3.3
220.06294	1.8
221.07108	2.8
221.10669	1.1
222.09283	1.0
223.08711	1.0
225.11192	1.6
227.12901	0.9
233.07121	1.4
235.08704	7.5
237.06696	8.0
237.10307	15.7
238.10532	0.8
239.08159	1.7
247.08745	17.8
248.05884	0.7
248.09018	1.4
249.06656	1.9
249.10248	2.1
250.07251	1.4
251.08311	3.1
253.09277	0.7
261.06641	1.8
263.08246	11.3
264.08563	1.7
265.09799	34.7
266.10172	3.0
269.04486	2.6
280.10977	0.6
291.07761	25.4
292.07935	2.2
293.09198	1.3
299.01926	0.7
308.10251	1.8
313.03564	1.7
314.04007	1.4
317.12863	1.7
324.14987	0.9
343.11014	0.7
351.14941	0.9
361.11978	1.8
384.16919	0.9
394.15527	4.5
412.16626	2.0
428.16003	2.7
438.14404	4.3
445.20859	0.9
456.15613	31.3
457.15768	4.2
476.09708	1.1
477.09769	2.1
490.72559	0.7
498.16943	3.1
508.18604	1.6
526.19299	2.7
688.24951	100.0
689.25275	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	687.3967
Annotation	CHEBI:69613
Peak:m/z	Relative Intensity
57.03326	0.4
59.01258	3.2
61.98691	1.6
67.01749	0.9
68.99668	0.7
69.03316	0.9
70.52948	1.5
71.00902	0.4
71.01237	2.5
72.99181	0.6
78.95779	0.7
83.04896	0.7
85.02822	5.4
87.00739	1.8
89.02318	1.0
92.71937	0.4
93.03357	4.4
95.01273	0.8
101.02331	2.5
102.11774	0.4
109.02820	0.9
109.06474	0.9
111.00739	0.5
111.04410	1.3
113.02345	0.7
113.05923	0.6
121.02782	0.7
122.03590	1.0
122.06062	0.5
123.04413	1.4
127.03836	0.4
133.02805	0.9
135.04414	1.6
135.08008	0.8
136.01520	0.7
136.05023	0.5
137.02327	1.1
137.09631	0.5
149.02332	1.8
149.06003	4.4
150.03178	4.4
150.06773	37.3
151.03801	0.6
151.07076	2.2
153.09042	0.5
155.03442	1.0
159.04225	0.5
161.02301	1.2
161.09651	0.7
162.06805	0.6
163.03949	0.7
163.07568	7.8
164.08344	7.6
165.05499	4.1
166.02518	0.5
168.39236	0.4
171.10246	0.8
173.04472	2.7
176.08339	1.0
177.09077	0.9
178.09883	2.1
179.03456	0.6
179.05467	0.5
179.10703	19.2
180.11017	1.5
181.04961	0.7
191.05540	28.5
192.05885	1.2
195.06532	2.9
209.11833	0.6
227.03473	0.7
253.04721	0.6
255.02885	1.0
270.01953	0.5
283.02478	1.0
284.03174	1.0
285.04022	2.6
302.62161	0.4
313.03531	1.3
317.01404	0.6
328.05887	2.8
329.06683	0.8
329.13806	0.5
343.24933	0.7
345.22852	4.6
420.10663	0.5
446.08353	1.1
446.30017	0.5
447.09247	1.2
461.32700	0.8
462.33188	0.6
464.31302	4.8
478.32916	1.2
479.33878	7.3
480.34225	1.2
491.19370	0.5
506.32364	1.8
507.33386	2.7
524.33466	2.9
525.17749	0.7
525.34296	24.4
526.34674	4.0
565.20789	1.5
617.85925	0.5
639.24451	0.9
687.39532	100.0
688.40015	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	687.3236
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68924	0.8
57.03300	1.4
59.01251	10.1
61.98709	5.0
67.01733	1.2
68.99677	1.1
69.03310	2.3
71.01249	12.2
71.51817	1.0
72.99167	1.6
73.02799	1.5
78.95773	1.5
80.02539	1.9
81.03322	2.8
83.01257	2.0
83.04895	8.0
84.02032	1.5
85.02819	6.5
87.00758	4.8
89.02299	7.5
89.29041	0.8
93.03336	6.1
95.01267	1.1
95.04894	1.9
97.02816	1.1
99.00730	1.6
101.02319	8.3
107.01248	1.0
109.02811	1.4
109.06455	4.5
111.04388	3.6
113.02316	2.9
119.03397	1.3
120.99587	0.9
123.04401	2.8
125.02370	5.2
125.09615	1.4
131.03459	0.9
133.02847	1.8
135.04398	2.8
135.08060	2.2
143.03374	1.2
149.02330	1.4
149.04443	3.6
150.03114	3.2
151.00247	4.4
151.11168	3.0
153.09082	1.1
153.12682	1.0
155.03363	2.6
155.10675	1.4
161.02390	0.9
161.04382	1.9
161.09604	2.0
163.11197	7.3
165.05453	3.4
165.12717	2.5
169.12245	24.8
171.10184	13.4
173.04448	3.6
177.09117	1.8
179.03416	1.2
179.10664	2.6
181.12196	1.7
187.07732	1.1
190.89421	0.9
191.05540	35.0
191.10675	1.2
192.05917	1.7
195.06577	2.0
195.10182	1.6
197.11758	42.1
198.12080	2.2
199.09644	1.3
205.08609	1.7
207.10162	7.9
209.11766	100.0
210.12117	5.9
213.11320	2.0
223.09731	6.7
225.11244	7.5
227.12791	13.7
235.08066	1.4
241.10776	1.4
253.09262	8.0
284.03210	1.3
285.03979	2.2
293.08868	4.1
299.05515	1.2
299.14008	1.3
324.02679	1.1
325.03424	1.7
338.04425	1.5
339.05078	1.0
459.18726	1.4
467.13416	1.3
525.17523	8.9
526.17883	2.8
563.53168	0.9
648.00073	1.0
651.30188	1.6
669.20563	1.3
669.30804	1.9
675.27991	1.0
687.22656	11.2
687.32385	86.7
688.22711	2.8
688.32690	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	687.2669
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49156	0.6
57.03323	0.7
58.00472	2.0
59.01249	37.0
61.98710	1.2
67.01759	0.6
69.03322	0.6
70.99632	1.4
71.01251	31.0
72.99187	2.6
73.02843	0.6
75.05057	0.7
85.02811	4.6
87.00768	1.1
89.02316	39.1
93.03340	5.0
95.04942	1.0
101.02314	3.4
108.02055	1.8
109.02850	2.0
111.00759	0.6
113.02328	5.6
119.03410	1.5
120.99559	1.0
121.02831	6.6
122.02335	1.1
122.03633	16.1
123.04434	1.0
124.01550	0.6
127.03912	1.1
131.03374	6.5
133.02882	2.5
135.04427	1.5
136.01596	1.2
137.02315	1.3
137.05945	2.2
139.00279	0.9
145.02867	0.7
149.01440	0.6
149.02354	28.5
149.04385	7.5
150.03134	100.0
151.00192	1.4
151.03432	5.0
152.01103	1.2
153.01857	0.8
154.24744	0.6
155.04889	0.6
155.10692	2.3
161.02429	0.9
164.04686	4.4
165.05489	92.9
166.05779	3.7
168.59410	0.5
177.01830	1.0
179.03371	0.7
180.04210	7.1
181.04976	5.7
181.08612	0.9
184.33888	0.6
191.05568	4.8
195.06554	71.3
196.06877	4.6
199.09663	1.5
200.07971	0.6
224.04845	0.7
232.95224	0.6
237.05673	0.7
244.76610	0.6
255.10204	1.7
266.05804	1.2
269.11932	1.0
270.12469	0.9
283.09711	9.9
284.03195	0.7
285.04120	1.0
295.06232	0.9
295.09592	1.5
296.10349	1.1
298.11996	1.2
299.01950	1.8
310.08456	1.1
310.11960	1.4
311.09244	26.8
311.12863	1.3
312.09689	2.1
314.04312	1.6
325.10794	4.1
326.11560	23.0
327.12094	3.3
329.06729	3.3
341.13910	54.8
342.14209	5.4
380.38486	0.6
427.14075	0.6
447.09506	0.8
474.16727	2.0
475.17209	0.7
489.19177	24.3
490.19666	4.6
525.14600	1.2
525.20160	7.2
526.20038	1.4
537.21136	2.5
541.13531	0.7
597.21802	0.6
639.24188	1.7
644.69110	0.7
687.26331	5.9
688.25519	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	687.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34455	0.6
55.01752	0.6
57.03310	0.8
59.01249	6.5
60.77613	0.6
61.76117	0.6
61.98687	0.8
63.51795	0.5
67.01759	0.8
68.99694	1.1
69.03312	4.6
71.01254	6.9
71.04872	2.6
72.99143	0.8
73.02812	1.5
75.02406	0.6
78.95773	1.2
81.03300	1.4
83.01249	1.0
83.04901	5.6
84.02011	1.4
85.02810	3.1
87.00752	2.0
89.02304	3.7
89.36809	0.7
93.03330	2.6
95.01272	1.0
95.04890	1.3
97.02843	0.8
97.06467	1.2
99.00764	0.7
101.02335	5.1
109.06478	0.7
113.02308	2.2
119.03357	1.2
123.08030	1.7
123.16998	0.5
125.09608	3.2
127.03870	0.7
133.02853	0.7
134.03680	0.7
135.04366	1.7
143.03531	0.6
151.11224	3.0
153.12744	1.7
155.03439	1.4
161.02310	1.1
161.04440	1.4
161.09642	4.2
163.11218	4.8
165.05508	0.6
165.12723	1.9
171.10141	1.7
173.04405	1.6
179.10713	7.9
180.10933	0.6
191.05522	13.3
191.07158	1.0
191.10744	1.1
197.11760	73.5
198.12109	4.1
207.10223	1.3
209.11771	54.6
210.12048	3.2
223.09679	1.2
225.11324	0.8
227.12856	4.7
229.12347	0.9
240.06480	0.7
241.10776	3.4
253.09215	3.7
313.03445	1.0
321.08353	0.6
459.18842	1.0
476.09625	2.7
477.20038	2.8
478.19913	1.0
493.15280	1.0
525.17822	0.8
548.89258	0.7
651.30432	1.1
655.20154	1.6
669.31543	0.8
687.32288	100.0
688.32703	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	685.3802
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	0.5
57.51709	0.4
59.01238	1.2
69.03310	0.6
69.58254	2.7
71.01243	1.1
85.02811	0.8
85.22757	0.4
87.00730	1.1
97.06453	1.1
98.19769	0.5
99.04385	1.0
101.02312	0.8
111.08009	0.6
123.08018	1.3
136.05193	0.6
137.05997	0.6
137.09673	0.7
148.96156	0.6
149.05992	2.4
150.06766	40.6
151.07089	2.2
157.08661	0.4
161.09550	0.7
162.06801	1.1
163.06458	0.6
163.07564	6.3
164.08339	8.0
165.08958	0.4
176.08270	0.7
177.09048	1.1
178.09860	1.7
179.10687	22.1
180.11047	1.5
187.09708	0.8
191.05528	2.4
201.11201	0.7
229.10738	1.1
246.55978	0.5
292.20325	0.8
320.19839	1.6
335.22342	1.4
341.23196	1.0
343.21246	5.3
344.21249	0.5
364.22632	2.2
441.29825	0.7
444.28577	0.7
459.31445	1.0
462.29865	2.6
463.30185	0.5
476.31473	0.7
477.32178	7.8
478.32669	1.3
504.30911	1.2
505.31595	2.8
506.31888	0.6
522.31683	2.4
523.24445	0.7
523.32697	32.3
524.32898	5.0
685.38000	100.0
686.38330	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	685.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06311	0.4
57.27586	0.4
61.98731	1.0
63.02280	1.0
65.00198	1.1
67.80337	0.5
78.95789	1.4
83.01239	0.5
107.01269	2.2
109.02817	0.5
115.20542	0.5
120.96284	0.5
121.02851	0.6
123.04437	0.4
133.02837	4.9
134.03586	1.1
135.04478	0.5
149.02348	1.7
151.00276	5.0
152.99496	0.9
175.03870	1.5
183.04405	0.4
187.03943	0.5
199.03915	1.8
200.04710	0.9
201.01828	0.6
211.03938	1.0
217.04988	1.3
227.03427	1.3
239.03540	0.8
241.04991	0.9
243.02972	0.8
255.03043	0.9
255.23245	1.6
256.03775	3.6
257.04565	0.5
269.04794	0.6
283.02441	0.7
284.03250	59.3
285.04022	100.0
286.04379	7.7
327.05005	1.0
417.00061	0.5
483.10010	0.6
487.62265	0.5
685.32251	82.5
686.32562	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	685.3808
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90192	0.5
59.01257	1.7
61.98685	1.2
69.02514	0.6
69.30518	5.9
71.01238	1.9
73.02828	0.9
85.02818	1.3
87.00749	1.5
89.02278	0.8
93.03323	1.7
95.04861	0.8
97.02779	0.8
99.04398	0.9
101.02304	0.8
107.04902	0.6
113.09627	0.7
123.08051	1.3
127.30402	0.6
135.04405	1.1
149.05986	1.9
150.06767	29.3
151.07240	1.9
161.02383	0.7
161.09624	1.3
162.06770	0.8
163.03850	0.6
163.07552	7.1
164.08342	5.6
168.89282	0.6
173.04427	1.2
177.09193	1.1
178.09842	1.4
179.10686	17.6
179.12209	0.9
180.11041	0.8
191.05531	6.8
195.06555	0.9
201.11293	1.0
201.73520	0.7
210.67078	0.6
229.10770	1.2
285.04138	0.7
299.02045	0.6
313.03558	2.5
320.20007	1.5
335.22028	1.4
341.23303	1.0
343.21140	3.2
364.22495	1.9
441.30191	1.2
459.31351	1.6
462.29791	1.8
477.32104	5.0
504.30963	2.0
505.31781	2.4
509.21707	0.8
522.32098	4.0
523.32709	21.8
524.33325	3.5
557.81219	0.8
662.47064	0.7
685.38019	100.0
686.38287	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	683.3647
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77536	1.3
57.03324	2.0
59.01250	25.7
61.98703	5.4
69.03329	3.7
71.01257	13.5
71.51001	3.3
78.95767	5.5
79.01022	1.5
81.03362	1.6
83.04908	2.7
85.02811	6.4
87.00741	5.0
89.02315	11.4
93.03328	14.1
97.02833	5.4
97.67778	1.7
99.04417	2.9
101.02322	10.0
105.03345	1.7
109.02872	2.9
109.06454	1.6
111.04404	4.1
113.02319	4.0
119.03378	4.0
125.09559	1.7
127.11172	1.6
132.02078	2.6
133.02847	16.4
134.03566	3.5
134.89415	1.5
135.04433	15.5
137.02380	3.0
149.05962	2.6
150.06761	14.5
152.99475	5.1
155.03351	3.5
160.01567	3.6
161.02391	8.4
162.06786	34.1
163.07518	6.3
170.98317	1.8
171.10185	2.6
173.04465	5.6
176.08337	2.5
177.01889	4.5
177.09137	13.5
178.02568	2.3
179.03445	12.7
179.10692	5.8
187.03864	2.6
191.05556	31.5
192.05830	2.8
200.00899	7.0
201.01614	4.5
201.46423	1.8
208.11023	1.4
215.05511	3.5
221.11606	1.8
227.03580	1.7
237.48180	1.6
261.11121	3.6
262.11865	4.1
282.67825	1.6
300.90387	1.6
307.08282	2.3
307.19312	2.1
309.20654	1.6
325.20163	2.7
327.21936	3.1
341.10788	1.6
341.23288	2.3
343.21240	3.9
351.07309	6.6
374.06165	14.8
375.06946	33.3
376.07181	3.6
469.22601	2.5
491.20584	12.1
492.21338	1.8
503.30203	2.7
505.26422	9.1
665.35309	3.7
683.26508	15.6
683.36584	100.0
684.27051	4.6
684.36798	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	683.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87482	0.3
53.37402	0.3
54.48765	0.2
57.03314	0.4
59.01246	1.8
60.99166	0.6
61.98705	0.4
62.91264	0.3
67.01758	2.5
69.03323	0.6
71.01254	2.1
73.02827	0.4
81.03328	0.4
83.04911	0.5
85.02823	6.4
87.00748	3.5
89.02309	0.5
93.03333	12.9
94.03670	0.3
101.02351	0.7
102.63461	0.4
109.02807	0.9
111.04433	1.9
113.02330	0.5
127.03871	1.6
133.02863	1.3
135.04413	9.0
137.02299	0.5
153.01750	0.4
155.03416	0.8
160.15164	0.3
161.02332	4.7
171.02881	0.5
173.04483	5.1
177.01852	0.4
179.03429	8.8
180.03699	0.5
191.05537	100.0
192.05884	3.9
353.08734	14.1
354.09116	1.3
473.18207	1.3
509.20380	0.7
683.25574	16.8
683.37830	1.1
684.25635	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	683.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69076	2.3
52.64578	1.8
59.01255	9.8
60.99160	2.8
61.98686	9.6
65.57010	2.0
67.01756	4.9
69.03310	3.3
69.15942	11.9
69.16362	9.6
71.01251	6.5
75.29082	1.9
78.95232	1.9
78.95750	5.0
81.03331	4.0
83.04877	3.1
85.02824	10.0
87.00755	25.7
93.02777	2.9
93.03343	46.1
97.02822	7.1
98.19843	4.1
101.02331	3.2
105.03329	3.6
107.04894	2.3
107.29026	2.0
109.02832	12.9
111.04390	9.5
111.08280	1.9
113.02331	2.5
121.02859	3.5
121.22182	2.0
124.04705	2.1
127.03857	3.6
129.01808	5.6
129.36911	1.9
132.02080	3.4
133.02861	58.1
134.03671	17.0
135.04425	46.4
137.02359	12.7
139.03902	4.9
145.97807	2.0
149.02287	2.4
150.03073	2.5
152.99451	4.6
155.03413	10.9
157.04938	4.7
159.04413	2.9
160.01559	3.6
161.02356	15.7
162.06740	4.8
163.07518	3.9
173.04495	24.8
174.03075	3.9
175.03958	3.8
177.01866	15.4
178.02649	13.4
179.03432	41.6
182.19905	2.1
187.03986	3.1
188.00842	4.0
189.01485	3.2
191.03764	3.2
191.05536	67.8
199.04007	2.4
200.00841	28.6
200.04669	3.1
201.01656	17.8
209.11746	3.3
213.05533	4.9
215.05569	14.6
227.07047	4.5
261.11060	6.6
262.11865	6.5
283.13266	2.9
307.08112	6.9
309.11176	3.2
323.12735	3.8
329.17331	2.5
337.10654	2.9
347.12442	2.6
351.07239	25.8
352.07776	2.3
363.11911	2.5
365.13708	7.9
374.06189	68.7
375.06946	87.5
376.07321	5.1
469.22324	14.3
470.22504	2.8
473.19510	10.5
491.20532	81.2
492.20526	11.2
509.21399	3.6
683.26599	100.0
683.36548	12.5
684.27252	20.7
684.38318	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.225
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64633	0.5
56.63702	0.5
57.03338	0.6
58.00452	1.5
58.59808	0.5
59.01249	37.8
64.46288	0.6
69.58011	3.8
71.01254	27.9
72.01566	0.7
72.99166	1.3
73.02820	1.1
75.22176	0.6
76.16513	0.6
80.76937	0.5
83.01241	0.7
85.02829	3.5
87.00735	1.6
89.02314	32.2
90.02676	0.8
95.01258	2.0
101.02319	14.8
113.02328	10.6
113.80466	0.6
114.02646	0.6
119.03389	12.1
131.03401	1.7
142.31053	0.5
143.03380	2.6
149.04413	1.2
161.04451	4.0
170.46298	0.5
179.05542	16.5
191.05585	0.7
192.76357	0.6
228.14375	0.6
341.10867	100.0
342.11246	6.9
562.47070	0.6
699.17773	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80670	0.2
57.03331	0.6
59.01247	3.2
60.14661	0.2
61.28622	0.2
61.98719	0.3
67.01751	1.8
69.03350	0.5
71.01255	3.5
71.51556	0.4
73.02815	1.0
75.00729	0.5
81.03328	1.3
83.01281	0.7
83.04893	0.3
85.02827	1.8
87.00767	0.4
89.02330	0.5
89.03831	2.3
93.03329	9.7
94.03667	0.5
95.01250	0.3
95.04942	0.4
96.75767	0.2
96.95880	0.3
97.02831	0.3
99.00751	0.5
101.02316	2.5
104.02556	0.3
105.03332	3.4
105.03989	0.2
108.02071	0.2
109.02864	0.9
111.00793	0.4
111.04410	1.9
113.02332	0.9
119.03391	0.4
121.02805	0.3
127.03831	0.2
133.02852	9.5
134.03246	0.3
135.04393	1.1
137.02327	1.6
148.01569	0.4
149.02396	1.2
149.05948	0.3
150.03108	0.3
155.03389	1.8
155.10693	1.4
161.02348	0.7
173.04468	31.0
174.04803	1.0
176.01096	1.5
177.01845	100.0
178.02167	5.1
179.03403	0.7
191.05528	5.5
192.05910	0.3
198.77814	0.2
199.09721	0.3
219.02899	0.3
261.80750	0.2
339.07172	0.8
347.17093	6.4
348.17401	0.4
419.67056	0.3
455.07928	0.2
521.16229	18.3
521.22437	17.9
522.16211	3.2
522.23975	1.7
642.60889	0.3
683.21613	1.7
684.22113	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	0.4
59.01254	1.0
60.99173	0.7
63.10250	0.2
67.01762	2.5
69.03318	0.7
69.51545	1.4
71.01257	1.3
73.02824	0.3
76.53433	0.2
81.03316	0.8
81.64671	0.2
83.04884	0.5
85.02293	0.2
85.02823	6.7
87.00759	3.2
93.03336	15.2
95.01266	0.5
95.04884	0.5
99.00743	0.4
99.04392	0.4
101.02337	0.3
105.03339	0.9
109.02859	0.9
111.00749	0.4
111.04405	1.9
113.02360	0.3
121.02808	0.3
123.04413	0.3
125.02349	0.5
127.03897	1.9
129.01813	0.2
133.02849	5.3
134.03618	1.0
135.04416	16.4
136.04764	0.5
137.02333	0.4
139.00250	2.7
139.03899	0.3
140.01060	2.5
140.03377	0.3
151.03940	0.4
153.01865	0.9
154.02623	1.6
155.03407	4.1
159.04460	0.3
161.02341	5.2
162.02814	0.3
167.03494	0.4
171.02913	0.6
173.04459	3.2
177.01854	0.6
178.02541	0.3
179.03419	10.2
180.03740	0.2
191.05539	100.0
192.05867	3.4
215.05540	0.2
233.06714	0.2
308.09055	0.5
317.08722	3.8
318.09174	0.4
351.07272	0.4
353.08762	30.8
354.09073	2.8
367.10434	1.5
395.09811	5.6
396.10178	0.6
407.10049	0.3
425.11191	0.7
432.28406	0.2
455.12000	1.8
515.14063	0.6
521.12891	0.4
683.18158	5.6
684.18640	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.0
57.03329	1.3
58.50034	0.8
58.78495	0.9
58.99466	2.9
59.01249	21.7
65.03831	2.4
67.01752	2.4
68.99688	10.7
69.03323	7.2
69.56403	6.9
71.01254	29.2
72.99170	5.9
73.02799	2.4
75.00747	9.3
79.61465	1.0
81.03332	2.8
82.62714	1.0
83.01263	4.1
85.02818	9.7
87.00748	49.3
87.01286	2.4
89.02316	9.5
93.03339	8.6
93.07000	1.2
95.01266	5.4
95.04904	4.6
96.95908	1.4
97.02827	7.7
98.20528	2.5
99.00765	4.4
99.04436	1.2
101.02316	29.8
105.01818	4.5
105.06944	1.5
107.04887	3.4
109.02835	6.2
111.00751	2.3
111.04385	3.9
112.98689	1.5
113.02326	9.5
115.00254	54.5
117.01826	7.6
117.06969	1.2
119.03378	4.2
119.04909	4.3
121.02838	8.3
121.06467	12.7
123.04410	9.6
125.02293	1.3
127.03867	2.7
129.01855	2.1
131.03403	1.1
131.04930	2.1
133.02881	1.7
133.06483	4.6
134.03629	1.3
135.02896	4.9
135.04375	7.9
135.08044	3.2
137.02356	6.5
137.05981	5.4
139.00294	1.1
139.03893	4.5
143.04822	1.1
145.06465	1.9
147.04404	1.8
147.08110	1.3
148.26427	1.0
149.02364	1.6
149.05992	9.0
151.03922	4.3
151.07536	3.1
153.05501	8.5
155.03386	16.5
157.01251	1.1
159.04401	6.1
161.02278	2.0
161.05951	3.7
163.03908	4.5
165.01970	3.0
165.05475	3.8
165.96553	1.2
167.03435	3.0
169.04959	2.8
171.04460	1.3
173.04594	1.2
173.05937	2.2
174.91321	1.1
175.02396	100.0
175.07524	2.5
176.02727	3.2
177.05472	13.9
178.05853	1.3
179.03458	6.6
179.05562	1.9
179.07062	4.8
181.05023	3.4
181.08540	1.9
187.03864	1.4
191.03651	2.4
191.05521	18.3
191.07074	6.5
191.08571	1.2
193.05022	3.7
195.06549	2.2
197.04486	3.4
198.96069	1.1
201.15994	1.0
203.07104	2.0
205.05009	5.4
207.06488	2.3
209.04497	1.5
209.08177	4.3
219.06659	5.3
221.04608	1.6
221.08138	2.2
223.06050	5.5
233.08261	1.4
237.07687	2.6
239.05840	1.9
247.06140	2.0
249.03908	1.2
257.10306	1.1
263.05490	2.2
265.07077	1.5
281.06622	3.2
283.08258	2.5
295.04938	1.1
305.06897	1.3
323.08020	1.8
327.07248	2.7
341.08813	1.2
353.08722	6.4
359.13614	1.3
395.10138	1.1
399.09253	4.8
419.15576	1.5
451.14508	3.8
463.14459	1.3
489.12549	5.3
490.13809	1.2
507.13666	11.8
508.13806	1.4
521.18976	1.9
617.04736	1.0
630.18860	1.2
683.22516	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	681.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97653	2.6
53.95122	2.7
58.00467	3.1
59.01252	33.7
61.98702	9.2
67.01750	6.3
69.03326	37.9
69.41274	2.3
69.74738	2.3
71.01258	32.7
71.51570	3.8
72.99184	3.2
78.95783	3.4
83.04906	2.7
85.02829	11.4
87.00750	6.3
89.02307	24.4
93.03336	22.9
95.01276	6.6
97.02831	46.9
98.56315	2.4
101.02317	14.9
108.02022	2.9
109.02818	9.9
111.04406	3.2
113.02319	10.7
119.03394	13.0
121.02892	3.9
121.06502	6.4
121.70638	2.5
123.04413	13.9
125.02319	3.2
125.09610	6.8
125.86705	2.6
127.03867	3.2
127.07537	3.8
133.02902	3.4
134.03607	5.3
135.04419	33.6
136.01563	2.8
137.02312	8.6
141.01845	4.5
145.10098	5.9
147.04413	2.6
149.02342	5.9
149.05983	22.3
151.03954	3.6
152.99388	2.5
153.09091	7.7
155.03375	3.1
161.02342	7.4
163.11121	3.2
167.06995	7.8
171.10176	9.4
173.04459	10.7
175.03896	5.2
179.03415	7.7
179.05548	4.5
185.11755	7.7
191.05531	100.0
192.05801	5.2
193.04976	49.3
197.11736	8.5
205.08824	3.7
209.11743	33.1
225.11179	3.0
229.08618	2.7
236.99994	2.6
237.15071	3.1
238.11891	3.5
245.19041	4.5
269.04538	2.7
284.03247	3.2
289.18057	13.9
291.48251	2.4
307.19141	59.0
308.19644	6.1
315.19540	4.6
325.20172	51.8
326.20346	3.4
373.11301	56.5
374.11819	6.1
377.19562	15.4
378.19931	2.9
449.21860	27.9
450.22311	3.7
519.25684	7.0
568.48950	3.1
611.27032	8.3
681.31586	50.7
682.31281	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	681.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00539	1.3
57.03316	2.6
59.01256	12.2
60.99175	1.6
61.98695	4.4
67.01759	6.5
69.03321	6.3
70.29478	1.3
71.01262	11.6
71.51640	2.2
78.95787	1.8
81.03338	3.3
83.04897	2.9
85.02818	13.1
87.00762	5.1
87.04395	2.9
88.01035	1.6
89.02323	2.3
93.03332	53.1
95.01273	1.7
96.95898	5.8
99.00745	2.4
99.18505	1.3
101.02333	6.4
109.02837	5.6
111.00760	2.8
111.04414	8.9
113.02370	2.3
117.97206	4.8
119.04913	90.5
120.05289	4.4
120.99475	2.6
127.03933	3.3
135.04414	4.3
137.02325	11.8
137.09631	4.6
151.03960	1.6
155.03415	8.7
155.10701	22.1
161.02357	3.9
163.02544	2.6
163.03912	53.7
164.04283	2.7
173.04465	100.0
174.04832	4.2
179.03427	2.7
181.04974	1.5
181.08621	2.3
191.05534	71.4
192.05869	5.3
195.10265	1.9
199.09691	17.0
209.02596	1.6
209.11758	11.8
223.09628	1.7
227.12854	4.8
241.10747	4.5
253.10762	1.8
255.12505	1.9
283.11813	6.2
298.03726	1.7
335.07806	2.2
341.19937	1.5
343.13934	9.5
346.76645	1.6
350.55588	1.5
415.12277	1.8
507.18695	55.1
508.18845	8.2
519.18604	6.7
681.23956	43.0
682.24542	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	681.24
Annotation	(+)-Pinoresinol di-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.19378	0.3
52.70479	0.3
57.03317	0.6
59.01250	8.3
60.99184	0.9
61.98702	0.7
64.32930	0.3
65.03828	0.5
67.01770	3.4
68.99684	0.5
69.03321	2.1
69.20522	2.7
69.20926	1.0
71.01258	3.5
72.99201	0.6
73.02811	0.3
78.07829	0.3
81.03337	1.2
83.04900	1.4
85.02826	7.4
85.03244	0.3
86.03179	0.4
87.00742	4.4
89.02322	1.3
93.03335	21.7
94.03686	1.0
95.04897	0.4
96.25140	0.4
96.95886	1.4
97.02820	0.4
99.00763	0.4
99.04420	0.5
101.02319	1.6
101.94437	0.4
107.04914	0.5
107.21542	0.3
109.02845	1.4
111.00751	0.4
111.04410	2.2
113.02328	0.6
116.92766	0.4
117.03491	0.3
119.03376	0.4
119.04856	0.5
120.99526	1.2
121.02871	0.8
125.02342	0.4
127.03911	2.1
129.01831	1.2
133.02832	2.1
134.03680	0.9
135.04413	23.1
136.04739	1.0
137.02322	1.2
151.00273	1.0
153.05440	0.9
155.03407	1.3
155.10681	0.7
161.02361	8.0
166.02620	1.3
166.06332	0.4
167.01668	0.7
171.02878	0.5
173.04463	7.0
173.05838	0.6
174.04843	0.6
179.03424	15.4
180.03781	0.8
181.04991	1.8
191.05539	100.0
192.05865	3.8
194.05753	0.4
202.33095	0.4
203.03415	1.0
218.05933	0.4
225.88228	0.3
233.08185	1.0
260.04596	0.4
285.04077	0.5
335.07727	0.4
353.08701	7.6
354.09113	1.0
373.14905	0.7
395.09866	2.3
399.14456	1.5
431.14377	0.4
459.16852	0.9
497.13181	0.4
519.18793	3.1
520.19305	0.6
531.19080	0.5
681.23969	46.5
682.24274	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	681.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38500	0.3
57.03330	0.3
59.01257	1.3
60.01518	0.3
64.14581	0.3
69.03349	0.5
69.55796	0.7
69.56187	1.6
71.01254	3.4
71.74035	0.3
73.02834	0.9
78.55816	0.3
84.02026	0.6
85.02841	1.8
87.00753	0.6
89.02314	0.6
93.03318	0.7
95.01273	0.6
95.04896	0.6
98.20509	0.6
99.00785	0.5
101.02322	2.6
108.02068	0.7
109.02842	0.4
111.04392	0.3
113.02337	1.8
121.02834	3.8
122.03639	1.7
123.00787	0.4
123.04441	0.5
124.01586	0.4
125.02405	0.5
130.76317	0.3
134.03676	0.9
135.04431	0.3
136.01561	53.1
137.02240	1.5
149.06012	0.3
151.03914	92.7
152.04248	4.0
154.02539	0.3
159.02884	0.3
159.04495	0.4
160.05196	1.0
161.02382	0.6
161.04469	2.9
162.03117	0.6
163.03911	1.4
175.03891	0.6
175.07593	1.5
176.04738	0.5
177.05475	0.9
179.03406	0.7
187.03969	0.4
189.05646	0.4
191.05518	3.0
296.10507	0.3
311.13028	0.7
342.11017	4.5
343.11414	0.6
357.13422	100.0
358.13766	10.8
384.36310	0.3
519.18726	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	681.24
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	0.2
59.01239	0.9
60.99176	0.4
63.58339	0.1
67.01762	1.6
69.03320	0.6
71.01246	1.1
73.02792	0.2
78.29712	0.1
81.03339	0.4
83.04901	0.3
85.02299	0.2
85.02821	5.1
87.00745	2.8
93.03334	11.8
94.03706	0.2
98.20680	0.2
99.00768	0.2
99.04401	0.3
101.02306	0.2
109.02822	0.4
111.04394	1.7
113.02316	0.2
123.99730	0.1
127.03899	1.5
128.18547	0.1
129.01866	0.2
133.02820	1.1
134.03624	0.2
135.04410	7.6
136.04700	0.2
137.02330	0.2
155.03407	0.4
161.02348	4.1
161.03716	0.2
163.03996	0.2
171.02934	0.4
173.04462	4.2
174.04829	0.2
179.03419	8.3
180.03754	0.3
191.05536	100.0
192.05891	3.8
229.80525	0.2
249.20868	0.1
353.08746	11.0
354.09070	1.1
440.15594	0.1
507.18652	0.5
583.89935	0.1
681.23944	12.4
682.24377	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	680.4008
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	7.2
60.01588	0.5
61.98700	100.0
71.51414	0.5
78.95789	2.7
95.01247	0.5
96.96832	0.7
101.02341	0.6
123.04415	0.7
133.02850	0.6
149.77524	0.3
152.99471	3.6
155.03424	1.2
156.03748	0.3
176.73689	0.3
191.05580	0.8
249.18623	1.0
250.19083	0.6
263.20285	0.4
277.21817	1.5
279.23352	0.6
307.19339	0.6
402.09604	0.9
408.35568	0.3
680.31982	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.4015
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98700	100.0
71.50894	0.6
78.95781	1.4
80.96397	0.9
87.27055	0.5
152.99496	1.2
191.05656	0.6
255.23259	0.6
309.20758	2.0
580.02380	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16865	0.7
57.03330	1.1
59.01249	6.2
61.35953	0.6
61.98701	3.7
65.00196	2.4
67.01757	3.4
68.99683	2.6
69.03346	1.1
71.01244	4.4
71.51622	0.8
72.99168	0.9
74.34021	0.7
78.95777	2.5
83.01234	1.4
85.02834	5.5
87.00751	2.2
89.02320	2.4
93.03339	9.2
95.01221	0.8
96.50049	0.7
96.95889	17.0
96.96817	4.1
99.00743	2.2
101.02325	2.1
108.02077	1.2
109.02837	7.7
109.99965	3.2
111.00753	5.3
111.04382	1.8
113.02351	1.9
115.00230	1.6
116.92759	1.0
119.03401	1.2
119.04911	2.0
121.02838	3.1
123.00770	1.4
127.03929	1.1
133.02832	3.0
134.03596	0.9
135.04417	10.6
136.98695	3.1
137.02351	4.6
137.99472	2.8
139.00259	12.9
146.03624	2.1
147.04384	1.8
149.02344	1.0
149.06003	6.3
150.03201	0.8
155.10699	5.4
157.01303	1.0
159.04402	6.2
160.05202	1.6
161.02357	17.6
161.04564	1.1
161.05988	13.1
163.00302	1.6
163.03914	2.3
165.01846	7.3
165.05412	1.3
170.71587	0.9
171.10179	0.8
172.05122	1.0
173.02237	0.8
173.04468	5.9
173.05804	1.4
174.03162	2.4
175.03871	6.0
177.01872	6.2
177.05507	2.8
179.03416	2.1
179.33842	0.8
185.06009	2.4
187.03929	8.7
188.04701	7.2
189.05493	6.3
191.03760	1.6
191.05537	32.1
192.05865	2.7
199.09671	1.6
201.05392	1.2
203.03503	2.0
203.07013	4.3
205.04872	1.4
209.00768	1.0
209.11781	1.3
213.05492	3.4
215.03369	1.4
219.02953	2.1
221.04457	1.9
229.05022	3.5
231.03011	7.8
231.06575	11.2
232.06729	0.9
233.04572	5.1
237.03954	1.4
245.04359	1.1
247.06061	1.5
257.00845	1.5
257.04565	7.1
259.02451	26.8
260.02957	2.0
274.04752	1.8
275.05594	4.7
277.03607	2.9
278.67871	0.8
283.11917	1.1
301.03394	3.7
303.06781	0.7
319.04532	3.3
357.15460	1.2
449.14450	1.1
505.05756	0.8
621.18146	1.7
663.19269	100.0
664.19513	18.7
681.24780	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	679.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87932	0.4
58.00470	0.5
58.69291	0.5
58.93256	0.4
59.01249	100.0
59.10707	0.4
60.01595	1.3
61.98701	38.8
63.58128	0.5
67.01791	0.8
68.99686	6.3
69.03327	1.5
70.84023	1.1
70.84378	0.8
70.85935	0.5
71.01259	3.9
72.99251	0.6
73.02834	2.1
73.50153	0.5
78.95789	2.0
80.96410	1.0
82.33609	0.5
83.01255	0.9
85.02845	0.8
89.02341	0.9
95.01263	6.9
97.02846	0.5
101.02323	11.9
109.91180	0.4
113.02363	1.5
123.04405	13.4
124.98466	0.5
127.07541	0.6
139.07594	0.8
149.02377	0.7
152.99535	1.1
155.03406	20.0
156.03716	0.7
175.03922	1.0
181.05019	0.9
207.06541	0.5
209.11740	0.6
225.07663	3.4
227.18044	0.6
245.19026	3.5
249.18561	16.9
250.19019	1.3
251.20184	0.7
255.23361	1.9
263.20126	9.4
263.22681	0.9
264.20630	0.6
273.18640	2.0
291.19644	5.2
295.23001	1.0
321.20779	0.7
345.97308	0.5
679.38403	0.8
680.41479	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30344	0.3
61.98683	0.5
63.02279	1.5
65.00217	1.6
71.08749	0.8
78.95782	1.1
83.01275	0.6
93.03364	0.4
93.26004	0.3
94.45805	0.3
107.01283	2.8
109.02828	0.6
121.02087	0.4
121.02801	1.9
133.02826	5.0
134.03658	0.9
149.02345	1.5
149.99615	0.4
151.00282	5.0
152.99487	1.8
163.00310	0.4
165.01884	0.8
167.68600	0.3
171.04471	0.5
175.03947	2.0
177.01784	0.3
185.06000	0.5
187.03961	0.5
191.13423	0.4
198.03128	0.4
199.03970	2.0
200.04718	0.8
201.01920	0.6
211.03979	1.0
212.04756	0.7
213.05539	0.9
215.03476	0.6
217.04980	0.8
227.03456	1.7
239.03484	0.8
241.01254	0.6
241.05008	1.1
243.02975	0.5
255.02972	1.0
256.03796	3.3
257.04239	1.0
279.23236	1.0
283.02286	0.8
284.03262	54.6
285.04013	100.0
286.04407	7.5
297.03857	0.5
300.08810	0.4
325.64911	0.4
327.05038	0.9
412.93448	0.4
487.65430	0.4
595.28741	1.1
679.27557	78.7
680.27893	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	679.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	0.8
59.01245	3.9
60.99174	1.1
61.98713	1.6
67.01765	3.9
67.05134	0.5
68.39115	0.5
68.99692	17.6
69.03329	4.8
69.79476	1.8
69.79883	1.3
71.01247	4.8
73.02818	1.4
78.95378	0.6
78.95766	2.9
79.01759	0.6
81.03322	0.8
83.04910	0.7
85.02807	2.7
87.00751	3.7
89.02339	1.7
91.25975	0.5
93.03333	16.2
95.01267	34.1
95.04911	0.7
96.01575	0.8
97.02781	0.9
97.06440	0.8
99.00770	0.7
100.07607	0.5
101.02323	32.8
107.04900	1.0
108.02029	1.7
111.04423	3.5
111.08073	0.6
113.02348	1.5
119.03399	0.5
121.02850	3.2
123.00763	1.2
123.04410	59.2
124.04791	2.0
125.02373	1.4
127.03838	0.6
129.01845	0.6
133.02849	1.6
134.03603	2.7
135.04422	12.4
137.02310	1.1
149.02354	3.2
149.09491	0.5
150.03113	0.8
151.03937	1.3
152.99510	2.4
155.03409	100.0
156.03764	3.2
163.11192	0.5
165.12769	1.2
173.04483	8.4
175.03952	0.8
178.02618	1.3
179.03438	3.3
181.05026	1.9
191.05540	15.1
192.05925	0.8
193.05025	1.6
197.11752	1.1
205.12212	0.5
211.13338	0.8
225.07642	14.9
226.08110	1.2
268.41116	0.6
271.20746	1.3
273.18448	1.0
278.22009	0.6
291.19666	13.5
292.20160	1.2
293.21313	2.2
308.09085	1.5
309.20694	18.8
310.21094	1.7
311.22351	1.1
315.19611	2.9
333.20654	5.6
334.21021	0.7
345.20621	0.9
351.07190	1.3
351.21298	0.7
352.07950	1.8
367.14651	1.0
375.21677	0.8
381.22885	0.8
399.22025	0.6
411.23792	1.9
425.23312	0.8
451.20959	2.8
453.25189	1.5
469.22308	1.0
523.28925	3.8
594.27631	1.8
643.27533	12.3
644.28314	3.1
679.33484	27.9
680.33905	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23800	1.0
57.03330	1.7
59.01249	11.2
60.99173	2.4
61.98702	1.8
62.19954	0.9
63.73396	1.0
67.01758	11.0
68.99684	20.3
69.03326	6.8
69.18359	9.3
71.01255	11.9
73.02834	2.2
78.95785	4.3
79.11765	1.0
81.03344	2.0
83.01226	0.9
83.04919	1.5
85.02823	7.8
87.00740	10.2
89.02318	2.7
93.03333	57.8
94.03674	2.0
95.01264	33.0
95.04887	1.7
97.02832	1.9
99.00736	2.2
99.04468	1.2
101.02323	38.9
108.02026	2.6
109.02843	1.7
111.04395	6.5
111.08059	2.6
113.02329	4.3
115.03903	1.0
121.02849	5.4
123.04405	61.3
124.01575	2.1
124.04713	1.9
125.02333	1.9
127.03866	2.1
129.01813	1.7
129.60997	1.2
133.02832	4.7
134.03610	7.5
135.04416	40.3
135.05453	2.0
136.04768	2.0
137.02368	2.8
149.02344	3.3
150.03148	2.2
151.03912	4.4
151.88707	0.9
152.99454	2.9
155.03401	100.0
156.03734	2.9
161.02394	2.5
161.04472	1.3
165.12721	1.3
173.04478	26.4
175.03922	1.5
177.01842	1.8
178.02632	5.0
179.03429	8.2
181.04929	1.8
191.05530	52.4
192.05823	2.0
193.04916	1.2
195.13789	1.1
197.11751	3.2
205.12286	1.4
215.05457	1.6
225.07637	12.9
249.14908	3.1
278.18149	1.1
290.08032	1.2
291.19672	20.8
293.21097	2.2
307.08176	2.4
308.08878	6.4
309.20691	27.6
310.21027	3.0
315.19608	4.0
333.20770	6.7
351.07129	7.5
352.07849	5.0
353.08749	1.9
381.22678	1.8
400.68213	1.3
407.22290	2.3
425.23239	4.1
451.21201	9.3
453.25201	1.3
469.22437	4.7
523.28973	3.0
643.27533	44.7
644.27808	11.3
679.33716	28.4
680.33832	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	679.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18134	0.8
57.03340	0.9
58.00455	0.6
59.01256	5.2
60.99156	0.6
61.98712	1.2
65.03838	0.8
67.01758	4.1
68.99673	0.7
69.03322	3.8
69.29666	4.9
69.30073	1.5
71.01254	7.1
73.02827	1.5
78.95747	1.0
81.03329	1.0
83.04921	2.2
85.02833	3.1
87.00758	4.4
87.04369	4.8
87.35908	0.7
90.42229	0.7
93.03332	35.6
94.03690	1.6
96.95883	1.6
97.02843	1.9
99.00754	0.9
101.02333	3.1
109.02864	1.7
111.00771	2.5
111.04399	9.3
113.02314	1.3
116.92697	0.7
119.03347	0.9
125.02383	0.9
132.02063	1.1
133.02849	15.7
134.03691	3.6
135.04413	57.0
136.04729	2.6
137.02339	14.4
137.09612	3.1
139.07483	1.1
139.11061	0.7
145.64603	0.7
151.03952	0.9
153.05450	2.9
155.03389	13.1
155.10693	16.4
156.11040	0.8
161.02348	59.9
162.02693	1.8
163.04039	1.0
173.04471	93.7
174.04832	2.6
179.03419	42.9
179.10648	1.2
180.03783	1.9
181.08638	2.0
191.05542	10.7
191.10667	1.2
193.12181	0.8
195.10201	1.7
199.09711	12.8
213.11301	1.2
241.10756	3.8
253.10771	1.2
255.12334	1.7
283.11923	4.7
303.72394	0.7
335.07697	100.0
336.07993	7.5
343.13950	7.5
355.13953	4.1
397.14886	1.5
429.13980	3.4
517.19257	72.5
518.19598	8.7
576.62042	0.9
679.22406	29.9
680.22839	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	679.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
57.38451	0.6
59.01244	2.8
67.01752	1.8
68.99696	0.9
69.03333	1.5
71.01256	2.8
71.51250	1.0
73.02815	1.1
81.03328	1.1
83.04890	1.0
85.02827	10.3
87.00742	4.2
89.02300	0.8
93.03333	12.5
95.01271	0.8
95.04881	1.3
96.95881	2.1
98.95490	0.8
101.02314	1.5
105.03328	3.5
109.02843	1.9
111.04398	4.1
113.02359	0.9
119.04917	1.1
121.02844	0.9
123.04410	1.3
124.07465	0.6
126.85288	0.6
127.03893	2.8
129.03357	1.8
132.02087	1.6
133.02849	26.5
134.03548	0.7
135.04414	19.0
137.02345	0.9
139.03836	0.7
145.60927	0.6
147.04431	8.8
149.02379	1.1
155.03375	1.0
160.01595	1.6
161.02359	6.8
163.03876	3.8
165.05473	13.7
171.02924	0.9
173.04474	5.1
175.03847	0.8
177.01846	9.6
178.02419	0.7
179.03397	8.2
181.88448	0.6
189.05472	0.8
191.05540	100.0
192.05884	4.4
215.05580	3.7
221.04597	0.7
267.03601	0.8
285.74008	0.7
321.66483	0.6
322.07199	0.9
323.07602	2.5
324.07397	0.7
351.07172	14.3
352.07678	1.0
353.08490	1.2
457.11282	2.0
461.14182	0.8
469.11478	3.7
487.05484	0.9
487.12515	17.0
488.12915	2.1
499.12573	1.1
505.13715	1.6
517.13617	6.7
610.70514	0.7
616.37079	0.7
661.17474	1.1
679.18695	40.9
680.18921	7.8
701.39557	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.4933
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24509	0.2
55.27149	0.2
58.02841	0.2
59.01242	0.5
61.98700	0.6
65.89256	0.1
69.03334	0.3
71.01262	0.4
74.27381	0.2
74.42790	0.1
80.04969	0.2
80.60533	0.2
81.03329	6.7
83.04895	16.2
84.05216	0.4
85.02830	0.4
87.00739	0.3
93.03335	0.7
94.39888	0.1
97.02883	0.1
99.00735	0.2
100.07577	0.4
101.02310	0.4
107.05997	0.3
108.04419	0.6
109.02830	0.2
111.00745	0.2
113.99474	0.5
115.00259	0.2
121.02802	0.2
123.00835	0.2
125.07115	1.1
126.05505	0.4
127.03907	0.2
135.04385	0.4
137.02330	0.2
138.02950	0.2
143.07141	0.2
143.08163	0.8
143.73645	0.1
156.00542	0.3
161.02316	0.2
165.01852	0.2
171.10152	0.3
173.04424	0.4
174.01576	0.5
179.03366	0.2
184.03709	0.2
191.05536	3.6
192.05855	0.3
199.18097	0.2
207.14954	1.6
208.13339	0.3
216.69725	0.1
224.17656	2.9
225.16028	11.8
226.16298	0.5
227.09428	0.2
242.18605	0.7
290.22205	0.2
309.21716	0.8
324.26443	0.8
333.22989	0.9
339.27725	0.2
341.29123	0.9
351.23871	0.4
367.27170	1.1
385.28323	0.4
407.33820	0.2
418.19357	0.2
423.14706	0.2
433.31931	1.5
434.31699	0.2
450.34326	1.5
451.32852	6.1
452.33270	0.8
468.35580	0.3
485.21588	0.3
550.43237	0.8
551.43475	0.3
559.39679	0.5
565.44183	0.2
593.43811	0.6
659.48749	1.5
677.49664	100.0
678.49988	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	677.4931
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44075	0.1
58.02848	0.2
59.01242	0.5
61.60439	0.2
61.89170	0.1
61.98701	0.3
67.01743	0.2
69.03326	0.3
70.36983	0.6
71.01245	0.4
80.04931	0.3
81.03331	6.7
83.04895	18.8
84.05228	0.4
85.02813	0.4
87.00768	0.3
89.02314	0.3
93.03328	0.6
96.95902	0.2
100.07552	0.3
101.02319	0.4
107.01334	0.2
107.06033	0.3
108.04413	0.6
113.02328	0.2
113.99514	0.2
119.03497	0.2
123.00703	0.2
125.07087	1.2
126.05467	0.5
137.02336	0.2
139.00307	0.2
143.08105	0.7
150.03133	0.2
153.01909	0.2
165.01894	0.2
171.10170	0.5
173.04489	0.5
174.01605	0.2
179.03452	0.3
191.03813	0.1
191.05537	2.6
207.14943	1.2
222.16109	0.3
223.06091	0.3
224.17644	3.0
225.16039	12.8
226.16310	0.6
242.18637	0.7
268.16711	0.3
291.20825	0.4
309.21826	0.8
321.70105	0.2
324.26620	0.8
333.22937	0.9
339.27582	0.2
341.29184	0.9
342.29379	0.2
351.24033	0.3
367.27130	1.1
385.28088	0.4
407.33670	0.2
433.31796	1.5
434.32114	0.2
450.34616	1.5
451.32916	6.7
452.33231	0.8
533.41260	0.2
550.43353	0.9
551.43317	0.2
559.39240	0.3
565.44855	0.3
593.43945	0.7
659.48737	1.5
660.49316	0.4
677.49664	100.0
678.49951	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	677.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	1.0
57.03309	1.3
58.00460	2.1
59.01250	38.3
61.98719	0.7
68.99699	0.6
69.03326	2.9
69.87650	2.3
71.01250	35.6
72.99176	3.0
73.02821	6.0
75.00748	0.8
78.95770	3.2
80.96387	2.0
81.03339	1.2
83.01254	4.1
83.04926	0.7
84.64897	0.4
85.02824	8.0
87.00749	9.1
87.04398	0.5
89.02314	28.4
90.89583	0.4
91.03896	0.7
93.03319	0.9
95.01265	2.9
96.99064	0.4
97.02831	6.7
98.19844	0.4
99.00742	2.3
99.04398	0.5
99.92427	0.4
101.02319	29.0
109.02821	0.9
111.00722	0.7
111.04417	1.1
113.02331	13.5
115.03873	0.5
115.91954	1.2
116.92710	2.1
117.65104	0.4
119.03390	9.1
121.02832	0.6
123.04393	0.7
124.01569	0.8
125.02331	12.6
125.03243	0.7
127.03889	0.7
131.03363	1.0
133.04956	0.9
135.04414	2.9
139.03912	0.9
143.03397	4.8
149.04469	1.6
152.99458	1.8
161.02428	0.6
161.04446	7.0
167.03461	0.7
167.55846	0.4
173.04472	0.7
179.03375	1.1
179.05544	6.2
185.04477	0.7
191.05519	5.1
209.11703	2.2
217.07056	0.8
221.06546	2.3
225.00583	0.6
230.05994	0.4
235.08200	14.1
236.08560	0.6
245.06705	0.8
249.18602	1.3
253.09216	3.9
263.07733	1.7
277.09280	0.7
279.23282	100.0
280.20767	0.5
280.23618	8.6
287.07706	2.8
293.21304	0.9
293.24500	0.6
305.08777	3.9
323.09772	1.9
352.07962	0.5
363.12274	0.6
379.12228	0.7
390.53116	0.6
397.13477	75.3
398.13943	6.3
403.80753	0.4
415.14557	30.6
416.15073	2.3
577.26917	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	1.6
57.03332	1.9
58.00465	2.5
59.01249	55.7
60.01591	0.7
61.98701	0.7
67.01770	0.5
68.01354	0.3
68.99687	0.3
69.03322	2.4
71.01253	44.1
71.08418	0.4
71.08757	0.5
72.01595	0.6
72.99171	3.1
73.02818	7.7
75.00749	1.0
78.95773	2.6
81.03330	1.9
83.01250	5.3
83.04913	0.7
85.02817	9.6
85.99999	0.6
86.90378	0.3
87.00749	11.3
87.04400	0.5
89.02316	40.7
90.02648	0.7
91.03899	1.0
93.03352	0.6
95.01261	3.3
95.04898	0.3
96.96856	0.4
97.02830	8.1
99.00754	2.5
99.04338	0.7
101.02320	35.7
102.02654	0.4
103.03891	0.6
109.02845	0.8
111.00777	0.8
111.04409	1.4
113.02332	17.5
115.03902	0.8
119.03387	12.2
121.02837	0.6
123.04392	0.5
124.01592	0.4
125.02335	16.2
127.03915	0.7
127.07542	0.5
129.01830	0.6
131.03381	1.9
133.04901	1.5
135.04405	3.7
136.04959	0.4
139.03920	1.6
141.01839	0.6
143.03400	6.9
149.02339	0.5
149.04462	1.0
151.03949	1.0
152.99449	1.6
155.03391	0.4
161.04466	7.9
162.04805	0.4
163.18228	0.3
167.03427	0.8
169.04993	0.5
179.03363	0.5
179.03752	0.5
179.05544	6.9
185.04482	0.6
191.05528	3.4
199.06029	0.7
203.05623	0.4
217.07108	1.4
221.06628	2.9
233.22739	0.5
235.08188	15.6
236.08533	0.4
238.73404	0.4
245.06705	0.8
253.09285	4.5
259.20685	0.8
263.07648	1.9
275.20151	0.5
277.09363	1.0
277.21710	100.0
278.22049	9.0
287.07687	3.4
291.22980	0.4
293.21503	0.5
305.08737	4.0
308.08920	0.7
323.09875	1.7
361.11517	0.6
379.12384	1.2
397.13477	80.8
398.09134	0.6
398.13818	6.9
415.14551	33.0
416.14810	2.4
434.53702	0.4
483.23871	0.7
593.27283	0.5
600.67761	0.4
634.09973	0.4
675.34869	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3594
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	1.9
57.03319	1.1
58.00468	2.3
59.01251	50.3
60.01576	0.6
66.61331	0.3
67.01755	0.3
68.99680	0.5
69.03325	2.6
71.01254	43.1
72.01591	0.5
72.99181	2.9
73.02817	7.3
75.00758	0.8
78.95775	2.2
81.03345	2.1
83.01261	4.7
83.04903	0.5
85.02823	8.8
85.99991	0.4
87.00753	10.6
87.04378	0.2
89.02316	37.7
90.02663	0.6
91.03880	1.1
93.03333	0.4
95.00700	0.4
95.01263	3.0
95.04949	0.2
97.02831	7.1
99.00760	2.6
99.04422	0.5
101.02323	35.7
102.02660	0.7
103.03854	0.3
109.02847	0.6
111.00767	0.9
111.04415	1.1
113.02332	16.8
114.02672	0.7
115.03884	0.9
119.03390	11.5
121.02848	0.5
123.00787	0.4
123.04395	0.4
124.01579	0.6
125.02338	14.3
126.02692	0.5
127.03896	0.7
129.01787	0.3
131.03404	1.9
133.04962	0.9
135.04454	1.6
137.02354	0.4
139.03883	1.2
141.01817	0.7
143.03404	7.3
144.03743	0.2
149.02350	0.3
149.04485	0.8
151.03911	0.3
152.99495	1.4
153.05357	0.3
161.04465	7.7
162.04761	0.4
163.29875	0.3
167.03409	1.0
169.04990	0.7
171.02902	0.4
173.04497	0.4
179.03426	0.6
179.03740	0.4
179.05536	7.2
185.04468	1.1
191.05513	2.0
199.06070	0.9
203.05489	0.9
205.19653	0.2
209.11722	0.5
217.07117	1.4
219.05055	0.2
221.06612	2.9
232.52106	0.2
233.22650	0.4
235.08200	16.3
236.08592	0.8
245.06645	0.9
253.09262	4.4
259.20703	0.6
260.08945	0.3
263.07639	1.9
275.20004	0.4
277.09354	1.0
277.21710	100.0
278.22067	9.7
287.07733	3.5
288.08258	0.3
290.01617	0.2
291.23389	0.4
305.08774	4.7
306.09280	0.3
323.09802	2.0
361.11484	0.8
379.12561	1.7
397.13483	84.6
398.13776	7.8
415.14551	37.9
416.14902	3.5
483.23901	0.5
593.27295	0.7
675.34918	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3587
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08131	0.1
55.01760	1.4
57.03318	1.2
58.00467	2.2
59.01249	42.8
60.01585	0.5
61.02803	0.1
61.98697	0.4
67.01749	0.1
68.99686	0.6
69.03323	2.9
71.01250	44.0
71.50848	0.2
72.01589	0.5
72.99175	3.5
73.02818	7.3
75.00736	1.2
75.21822	0.1
78.95774	4.0
78.96220	0.3
81.03326	1.9
83.01256	5.0
83.04890	0.5
84.02047	0.2
85.02818	9.4
85.99980	0.4
86.03178	0.1
87.00746	10.8
87.04391	0.3
88.01072	0.2
89.02313	34.8
90.02626	0.6
91.03875	0.9
93.03327	0.9
95.01259	3.0
95.04899	0.2
96.96838	0.4
97.02824	7.3
97.06451	0.2
98.03173	0.1
99.00753	2.5
99.04404	0.7
101.02319	37.8
102.02644	0.6
103.00257	0.6
103.03886	0.4
108.02036	0.3
109.02836	0.8
111.00755	0.8
111.04387	1.4
112.01556	0.3
113.02326	16.9
114.02656	0.3
115.03867	0.8
119.03386	11.5
120.03647	0.1
121.02842	0.7
123.00797	0.4
123.04383	0.3
124.01553	0.7
125.02332	14.9
126.02692	0.4
127.03871	0.6
127.07549	0.3
129.01825	0.2
131.03395	1.9
133.02870	0.2
133.04964	1.3
134.03641	0.2
135.04414	3.2
137.02313	0.5
139.03896	1.2
141.01801	0.8
143.03397	7.8
144.03767	0.2
145.04961	0.2
149.02362	0.3
149.04427	1.5
151.03879	0.8
152.99490	2.6
155.03476	0.2
157.04945	0.3
159.02811	0.2
161.02298	0.4
161.04460	7.4
162.04855	0.3
163.03897	0.2
167.03400	0.9
169.04982	0.5
171.02943	0.3
173.04431	0.3
179.03445	0.8
179.05521	7.9
180.05843	0.2
181.04959	0.3
181.12315	0.1
185.04492	0.7
191.05539	3.1
199.06123	0.6
201.11267	0.2
203.05562	0.5
205.03564	0.2
207.10129	0.2
209.11705	0.7
217.07063	1.6
218.07590	0.2
219.05061	0.4
221.06583	3.0
225.11259	0.2
233.22736	0.5
235.08179	16.5
236.08470	0.7
245.06628	0.8
253.09230	4.1
254.09665	0.2
259.08261	0.2
259.20642	0.4
263.07669	1.8
275.20062	0.5
277.09637	1.2
277.21698	100.0
278.22037	9.9
287.07703	4.0
288.08264	0.2
291.23276	0.4
293.21271	0.4
295.22717	0.4
296.23141	0.2
305.08768	4.2
306.08951	0.2
307.08020	0.2
308.08878	0.6
311.22369	0.2
319.22980	0.2
323.09799	1.9
352.07898	0.4
361.11292	0.6
363.11887	0.2
379.12387	1.1
381.12967	0.3
397.13455	84.2
398.08478	0.2
398.13797	6.6
415.14529	37.4
416.14816	3.3
431.21939	0.2
483.23972	0.6
593.27246	1.1
594.27509	0.2
605.49927	0.2
657.33960	0.5
675.35358	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	675.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	2.5
59.01244	3.8
60.99163	3.6
61.98700	30.7
67.01755	11.9
69.03315	4.1
69.39206	3.9
69.39610	8.6
71.01237	9.1
71.11108	1.6
71.44334	1.4
78.95773	56.0
81.03330	5.1
83.04879	3.8
85.02812	14.6
87.00755	17.2
93.03333	85.6
94.03680	2.0
96.96825	5.5
97.02829	1.9
98.91840	1.5
108.02032	3.6
109.02814	3.1
111.00771	2.9
111.04413	12.7
121.02821	2.8
121.15962	1.3
124.01550	4.4
125.02359	2.7
126.03100	1.8
127.03917	2.2
132.02095	8.3
133.02887	8.2
134.03635	22.6
135.04414	87.3
136.04816	1.6
137.02338	6.6
139.03891	1.9
150.03110	4.9
151.03931	9.7
152.99486	29.3
155.03387	4.2
160.01584	12.4
161.02293	6.0
163.11273	1.9
165.12793	2.0
171.10130	1.8
173.04463	38.2
177.01831	3.5
178.02625	11.7
179.03401	20.8
181.12297	1.7
191.05539	100.0
192.05905	3.6
197.11758	1.8
209.11792	20.5
211.13359	3.1
224.21378	1.4
225.11356	3.5
227.12898	3.1
293.21289	3.9
295.22842	3.9
307.08301	4.5
308.08994	12.5
309.09464	1.6
311.22247	7.4
323.22168	2.3
351.07065	2.5
352.07907	9.0
353.08704	1.9
363.12112	9.4
381.12985	3.3
407.22372	1.8
439.24783	8.6
447.21436	8.3
465.22534	2.4
467.26984	1.6
483.23825	15.9
484.23929	3.7
501.24915	3.3
522.10724	1.7
590.43475	2.0
643.26434	1.9
644.57629	1.8
657.34259	2.0
675.29559	96.3
676.30145	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	673.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83663	4.5
59.01253	17.1
61.98680	8.0
69.03346	7.9
69.38074	43.2
71.01266	20.8
72.99174	8.7
79.25397	4.4
79.95618	8.0
82.60664	5.3
85.02827	9.9
87.00735	7.7
89.02319	20.7
93.03321	25.9
96.95901	5.4
101.02362	12.0
108.02079	13.2
109.02797	5.5
111.93607	4.5
113.02279	5.7
115.00193	5.2
119.04913	100.0
120.05279	7.4
120.99515	5.4
121.02832	14.9
122.02318	4.6
123.04406	7.5
131.03410	5.1
133.02798	5.2
135.04404	34.3
137.02348	15.9
138.63753	5.0
149.04449	14.1
152.01074	26.6
155.10680	17.4
163.03885	26.1
165.01836	10.5
165.05449	6.9
166.02463	4.6
167.03416	30.0
179.92422	5.3
181.04944	41.0
191.05545	61.8
192.05823	5.5
199.00647	38.7
199.09636	15.0
215.00113	27.0
241.10939	6.2
242.99577	7.8
243.62531	5.9
341.13956	24.6
343.14017	10.4
364.72519	5.6
427.03595	7.9
511.18506	11.6
673.12585	35.9
673.24585	26.4
674.13898	8.5
674.24231	8.8
684.69568	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	671.4011
Annotation	Guineamide D
Peak:m/z	Relative Intensity
57.03311	0.8
59.01250	1.9
61.98702	0.3
62.30246	0.3
63.87866	0.2
67.01755	0.5
69.03343	0.4
70.84337	0.6
71.01258	1.5
71.88247	0.3
72.99171	3.0
73.02821	0.3
79.87517	0.2
83.01248	0.3
83.04909	0.3
85.02821	2.6
87.00761	0.9
88.98662	0.3
89.02315	0.4
93.03325	2.0
95.04944	0.3
99.00722	0.3
99.04382	0.8
101.02346	0.4
109.02820	0.9
109.06488	0.3
111.04403	0.5
111.08051	0.3
113.02319	0.4
113.05980	0.5
117.03334	0.4
121.02847	0.4
121.06449	0.4
123.04420	1.5
127.11202	0.4
133.02850	4.5
133.15199	0.2
135.04422	3.6
135.05342	0.5
135.08081	0.4
136.05183	0.6
137.05963	0.9
137.09586	0.7
138.32196	0.3
145.02834	0.3
148.05269	0.3
149.02365	1.7
149.04840	0.6
149.05981	6.7
150.03136	0.9
150.06767	47.9
151.00275	0.5
151.03963	0.3
151.07095	2.0
155.10680	0.8
161.02348	15.9
161.09619	1.0
162.02689	1.2
162.06755	0.8
163.07555	11.4
163.11230	0.8
164.08327	6.2
169.12212	0.2
173.02371	0.3
173.04446	0.7
176.08327	2.4
177.09047	0.8
178.02623	0.4
178.09904	3.2
179.03409	3.5
179.10699	14.2
180.11009	0.8
181.12321	0.4
185.06137	0.3
185.24263	0.3
191.05544	12.4
193.08661	0.8
197.04471	4.2
199.19768	0.3
207.10281	1.2
209.11765	2.4
225.11214	1.5
227.03494	0.8
227.12766	0.5
253.09389	0.3
255.06419	0.4
265.21780	0.9
267.06509	2.0
282.10287	0.3
283.06137	0.6
283.22858	0.4
284.03275	0.4
285.20731	0.5
295.65048	0.3
298.04758	0.4
304.09445	0.3
309.07556	0.4
311.05573	5.0
312.05966	0.8
315.22388	0.3
321.42111	0.3
327.25302	1.7
329.06622	1.6
329.23322	6.4
330.07050	0.3
330.23810	0.7
359.07715	5.4
360.08078	1.0
430.30756	1.7
432.32260	0.3
445.33090	1.0
446.33707	0.8
447.14487	1.1
447.34723	0.6
448.31906	10.3
449.32477	1.4
461.20532	0.4
462.33563	1.6
463.34271	13.3
464.34546	1.5
465.15543	1.8
481.15155	1.3
490.32938	2.0
491.33606	4.3
492.34119	0.5
493.35349	0.4
494.32758	0.3
508.33960	3.5
509.11057	3.4
509.34787	32.1
510.10489	0.6
510.35135	5.0
671.20300	4.1
671.40125	100.0
672.20642	1.0
672.40436	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	671.4013
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	3.6
61.98695	1.8
67.01766	0.6
69.03340	0.7
71.01257	4.0
73.02822	1.1
83.04901	1.1
85.02824	2.9
87.00751	1.6
89.02350	1.7
93.03333	2.6
93.05737	0.5
94.72239	0.5
96.95879	0.6
97.02855	1.2
101.02318	2.5
109.02879	0.6
109.06487	3.1
111.04411	1.1
113.02349	1.3
121.06462	0.7
122.03680	0.7
125.02337	0.6
125.09629	0.6
127.11260	0.7
130.04231	0.6
135.04381	1.9
135.08005	1.4
136.05226	1.0
149.06020	3.9
150.06764	57.0
151.00192	0.8
151.07089	2.7
161.09637	1.4
162.06787	1.2
163.07550	11.9
163.11234	2.2
164.08357	10.6
165.05478	0.9
171.10182	1.3
173.04547	1.3
176.08287	1.4
177.09149	1.7
178.09880	2.4
179.09119	1.2
179.10696	24.5
180.11026	1.5
181.05009	1.8
181.12340	0.8
191.03766	1.1
191.05536	21.1
192.05812	1.0
198.12973	0.5
203.03410	1.9
207.10188	9.1
209.11768	14.1
210.12129	1.3
218.05803	1.9
225.11295	7.1
227.12827	2.7
233.08154	3.1
235.08267	0.7
253.09293	1.9
267.11365	0.7
285.04007	1.8
297.24319	1.1
299.22287	9.1
300.22681	0.6
311.22293	2.1
329.23224	1.1
399.22125	0.6
429.33710	0.6
432.32349	2.3
447.34802	2.4
461.20343	2.5
461.32602	3.3
464.00171	0.6
464.31525	2.1
473.32443	1.4
478.32745	1.9
479.33749	10.2
480.34128	2.5
490.32996	1.3
491.33707	8.2
492.34259	1.3
493.35907	0.6
508.33966	4.2
509.14322	0.7
509.34821	10.9
510.35446	2.0
575.00336	0.6
635.30939	2.0
653.21606	0.6
653.31604	2.0
653.40460	1.0
671.40259	100.0
672.40533	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	671.3281
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	0.8
59.01249	10.2
66.22243	0.7
69.03336	1.0
70.38197	2.7
71.01263	5.8
73.02823	1.4
80.02558	2.1
81.03331	3.9
83.01267	1.3
83.04900	7.7
84.02023	1.3
85.02853	1.7
87.00747	1.7
88.43471	0.7
89.02316	4.6
93.03352	1.5
95.04921	1.7
97.02829	5.2
97.06441	1.0
99.00788	1.4
101.02325	5.3
107.04949	1.1
109.06471	26.9
110.03603	1.8
111.04372	1.1
113.02341	3.3
121.06503	2.4
123.08022	1.3
125.09602	3.0
135.08057	2.9
136.05244	1.1
142.02612	1.1
161.04477	2.1
161.09616	2.1
163.11186	19.5
164.11507	1.2
165.12727	3.0
171.10172	3.7
172.27150	0.7
181.12210	4.1
185.11742	2.0
189.09146	1.8
191.05518	3.1
191.10640	1.5
201.11012	1.0
207.10202	71.7
208.10573	4.8
209.11765	100.0
210.12096	7.4
211.13370	0.7
221.11732	1.0
223.13341	1.1
225.11273	32.2
226.11655	1.3
227.12814	13.6
231.10254	0.9
235.08162	3.0
235.13391	1.3
245.11812	1.1
247.13324	2.0
249.11293	2.0
253.09238	10.2
263.12866	2.3
265.14240	0.8
281.13895	1.1
299.14948	0.8
355.22797	0.9
389.23093	1.0
399.21713	6.3
400.22232	0.7
405.17606	0.8
417.22763	6.7
418.23300	0.9
435.23831	1.0
443.19095	3.5
461.20306	14.2
462.20309	1.1
484.72537	0.8
485.20331	0.8
491.26578	1.1
622.72412	0.8
624.13104	0.7
635.30634	11.7
636.31024	2.4
653.31750	16.0
654.31616	2.3
671.32806	26.5
672.33295	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3854
Annotation	Ajugasalicioside F
Peak:m/z	Relative Intensity
54.37525	0.4
57.03305	1.4
59.01232	1.3
69.17123	4.2
71.01245	0.6
78.95763	0.6
80.02378	0.4
85.02824	1.1
87.00772	0.9
93.03325	0.6
99.04381	0.8
101.02263	0.6
113.05915	0.5
130.71198	0.4
132.96431	0.4
133.02824	0.4
135.08112	0.5
136.05190	0.9
137.06038	0.5
144.41690	0.5
149.05971	6.7
150.06767	44.3
151.07161	2.0
153.09106	0.8
157.08630	0.5
161.09634	0.5
162.06711	0.9
163.06273	0.7
163.07555	9.6
164.08336	6.4
169.12216	0.5
173.04503	0.5
176.08357	1.6
177.09137	1.0
178.09900	3.4
179.10698	15.2
180.11082	0.4
191.05521	1.6
241.14395	0.5
263.20212	0.6
279.23395	0.7
281.21136	1.4
283.19208	0.5
325.23776	1.4
327.21725	6.2
328.21921	0.7
370.11646	0.4
415.28192	0.4
428.29214	1.3
441.03351	0.4
443.31943	0.9
446.30371	8.4
447.30655	1.6
460.31793	1.4
461.27075	0.3
461.32642	12.5
462.32986	2.0
488.31332	1.4
489.31982	2.7
506.32446	3.8
507.33234	27.6
508.33554	4.5
536.09802	0.4
549.34625	0.5
669.38531	100.0
670.38849	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	670.1633
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75221	0.1
59.01252	0.3
61.98704	100.0
62.99123	0.2
68.99665	0.1
69.03323	0.1
71.01274	0.4
71.27906	0.2
85.02835	0.3
87.00813	0.1
89.02367	0.2
91.01099	0.1
93.03371	0.4
100.53127	0.1
101.02332	0.4
115.92603	0.1
123.04408	0.1
127.03905	0.3
134.03673	0.2
135.04417	0.1
165.01834	0.2
165.05470	0.1
166.94957	0.1
173.04536	0.4
179.03355	0.1
191.05548	2.4
192.05908	0.2
255.02950	1.1
256.03662	0.2
269.04706	0.2
283.02417	0.6
284.03278	3.3
285.03967	0.3
297.04153	0.4
298.04785	0.4
299.05600	4.5
300.05991	0.4
310.11734	0.1
353.09003	0.3
411.64993	0.1
473.13208	0.2
474.13574	0.1
509.21759	0.1
607.16669	6.7
608.16937	1.0
670.26678	0.3
671.24677	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3855
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	1.2
58.05866	0.5
59.01264	3.2
61.60303	0.5
61.98689	2.3
68.99689	1.0
71.01250	2.4
71.49215	0.5
72.44087	0.5
73.02814	1.0
78.95763	1.1
83.04897	0.7
85.02816	2.1
87.00765	0.9
88.98702	0.5
89.02312	0.9
93.03347	2.6
96.95891	0.9
99.04340	0.6
101.02318	2.0
108.02067	0.6
109.02853	0.9
109.06445	0.8
111.04387	1.1
113.02280	0.6
113.06074	0.5
123.04411	1.0
125.09594	0.7
127.03890	0.8
133.02809	1.7
135.04384	2.1
135.08057	0.5
136.05222	0.9
137.02330	1.1
137.05978	0.7
137.09618	0.6
148.05258	0.9
149.02415	0.5
149.05986	4.5
150.06773	62.8
151.07050	2.8
151.11179	0.7
152.99442	0.7
155.03387	0.7
161.02359	2.1
161.09596	1.2
162.06721	0.9
163.07565	13.7
164.08342	12.1
165.05446	0.7
165.08742	0.7
167.03439	0.7
171.10081	1.0
173.04498	2.1
176.08337	0.7
177.09074	2.0
178.09923	1.7
179.03433	1.1
179.10699	26.6
180.11009	1.4
191.05540	11.0
192.05734	0.6
207.10121	1.0
209.11754	1.9
211.13269	0.7
216.90178	0.6
217.12526	0.5
225.11314	1.9
265.21777	0.6
284.03329	0.6
295.22763	0.9
297.17636	0.8
297.20734	11.2
298.20969	0.8
309.20749	2.4
327.21793	4.8
333.20309	0.9
353.08698	0.8
415.28391	1.0
430.30811	3.2
445.33157	3.0
459.31308	3.3
460.31851	0.5
462.29614	1.6
471.31161	1.7
476.31512	2.2
477.32184	9.9
478.32584	1.8
488.31543	1.3
489.32217	9.1
490.32663	1.2
491.32956	0.5
506.32434	3.8
507.33301	12.9
508.33826	1.3
531.33765	0.7
639.37732	1.1
651.38434	1.3
669.38629	100.0
670.38989	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	669.3491
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16796	0.3
57.03325	0.8
57.87320	0.3
59.00966	0.4
59.01247	5.3
61.98677	0.5
69.03325	2.4
71.01244	4.3
71.04877	0.7
71.51257	0.4
73.02812	1.0
78.95765	0.8
80.02528	0.8
81.03304	1.0
83.01234	0.7
83.04897	3.7
84.02058	0.6
85.02827	1.7
87.00735	0.7
88.98688	0.3
89.02325	3.0
89.02849	0.5
90.54608	0.3
93.03309	1.2
95.04897	0.8
97.02805	0.4
99.39511	0.3
101.02328	3.7
101.48249	0.3
109.06447	1.1
111.04374	0.4
113.02319	1.6
119.03412	0.8
125.02379	0.3
125.09622	1.0
135.04390	0.9
135.08057	0.9
135.11696	0.6
138.59062	0.3
143.03403	0.4
149.09596	0.7
152.99478	0.5
160.13530	0.4
161.04492	1.3
161.09630	0.4
162.06789	1.0
163.11200	2.9
165.12778	1.5
166.79797	0.3
167.10672	3.2
171.10162	2.0
173.04539	0.8
177.09131	0.6
177.12796	0.3
179.03503	0.5
179.05501	0.7
179.10757	1.6
179.14314	3.6
181.12247	0.9
182.08394	0.3
191.05544	3.4
191.10817	0.6
192.05757	0.4
195.13831	9.8
196.14137	0.6
197.11674	0.4
205.12265	10.0
206.12656	1.0
207.10182	0.9
209.11761	83.2
210.12091	4.9
223.13336	100.0
224.13666	5.7
225.11256	0.9
227.12834	14.1
228.13193	0.7
235.08199	4.6
253.09268	11.2
254.09592	0.5
255.49313	0.3
261.14966	2.2
280.18314	0.4
293.21338	0.6
415.25003	0.7
441.21579	0.6
445.20569	0.9
459.22327	10.6
460.22977	1.0
489.32520	0.7
498.72589	0.4
563.55768	0.4
633.32581	1.0
651.33209	1.1
669.38342	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	669.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	3.3
59.00957	1.4
59.01248	22.7
61.98683	3.6
65.03817	0.8
67.00682	0.9
67.01757	1.0
69.03316	2.9
70.99024	3.1
71.01252	18.1
72.99153	1.4
73.02813	3.5
78.95760	2.7
80.02539	2.3
81.03342	6.0
83.01260	2.2
83.04899	7.6
85.02821	6.9
86.84630	1.0
87.00771	4.9
89.02308	7.4
93.03334	4.1
95.01232	1.7
95.04892	3.0
96.95892	1.4
97.02828	9.4
97.06442	5.1
97.96212	1.0
99.00728	2.3
101.02332	10.8
106.04083	1.2
107.04897	3.3
108.02021	3.0
109.02834	2.1
109.05716	1.8
109.06471	35.6
110.03600	3.0
110.44787	1.1
111.00706	1.4
111.04397	2.3
113.02344	5.8
119.03387	1.7
121.02819	1.5
121.06467	2.7
123.04378	1.3
123.08022	4.5
125.02338	1.1
125.09615	23.9
133.02824	2.0
133.06430	1.2
134.01599	1.0
134.03593	1.4
135.04388	3.8
135.08047	5.7
136.05194	1.7
137.02342	1.6
142.02589	3.2
143.03313	1.4
145.02789	1.0
145.04980	2.5
145.10112	1.3
149.05994	1.6
152.99495	2.0
158.03612	1.3
159.04346	1.7
160.05156	1.0
161.02327	3.8
161.04410	3.4
161.05943	1.5
161.09608	4.1
163.09848	1.1
163.11200	17.9
164.11612	1.3
169.08633	1.3
171.10162	3.3
173.04425	3.7
173.05804	1.1
175.11185	5.1
177.09102	1.7
179.03368	2.1
179.10632	1.4
181.12253	5.2
185.11716	3.0
187.09662	8.4
189.09070	2.5
191.05540	17.0
191.10651	3.7
191.14365	1.1
192.05875	1.9
201.12750	1.7
203.10692	2.9
205.08499	1.4
207.10202	76.3
208.10457	3.7
209.11765	31.6
210.12192	1.3
219.10265	4.7
219.13794	2.4
221.11742	1.1
223.09702	5.1
223.13280	3.0
225.11269	38.5
226.11545	2.6
229.12190	2.3
233.11798	1.1
235.08151	4.3
235.13332	2.4
236.08662	1.3
237.11353	5.1
245.11717	3.1
253.09187	6.5
261.11267	3.0
263.12918	7.9
273.11160	1.4
283.20499	1.9
325.21588	1.3
327.19620	2.0
343.19000	2.3
343.22800	1.1
345.20630	2.6
351.19513	1.5
353.17429	3.9
353.21222	2.4
361.20047	3.0
363.21701	1.5
369.20511	4.7
371.18439	6.8
371.22391	3.2
372.22998	1.2
379.19125	2.1
387.21957	5.3
389.19513	7.9
397.20050	8.2
405.17679	2.2
405.22681	3.0
415.21237	22.8
416.21448	2.5
433.22141	6.9
434.22119	1.3
443.18976	3.0
461.20349	9.6
461.26590	1.8
489.24374	1.2
507.25732	1.4
572.15326	1.2
597.29114	6.4
607.27478	20.1
608.28070	2.3
623.30365	4.5
625.28607	46.4
626.29346	7.3
633.28955	12.5
634.29315	1.8
651.30164	100.0
652.30505	15.8
669.31006	39.6
670.31378	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	669.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84346	0.5
59.01249	52.4
60.01571	0.7
61.98694	1.2
69.03354	0.5
71.01237	2.0
73.02811	1.1
74.83113	0.4
80.89754	0.4
85.02816	2.6
87.00752	0.8
89.02303	0.6
93.03329	1.5
99.52943	0.5
101.02298	0.9
119.04896	0.5
125.34003	0.5
133.02827	0.6
133.06519	0.4
135.04401	0.6
137.02322	0.5
144.60277	0.5
159.04448	0.5
163.03918	0.9
173.04546	1.0
177.00476	0.4
177.01797	2.1
178.02682	0.4
179.03374	0.8
191.05533	6.8
229.61977	0.5
298.08423	0.8
310.08615	0.5
311.09216	0.7
312.10059	0.9
313.10901	4.0
325.10754	0.6
344.08801	1.0
352.26849	0.5
353.08456	0.7
355.08078	0.7
356.12772	0.5
357.13339	1.7
369.16064	0.6
370.10477	1.0
371.15152	0.7
385.12787	5.5
386.13309	1.1
399.14377	1.4
459.16418	1.3
472.13724	0.6
475.16241	0.8
477.19357	0.5
487.16074	18.1
488.16513	2.6
489.17392	1.0
490.18240	2.2
491.18863	0.8
501.17706	0.6
502.18423	9.6
503.18646	1.5
504.20093	1.0
505.20712	7.3
506.20862	0.8
507.19852	0.5
517.20752	100.0
518.21088	14.0
570.80884	0.4
579.24414	0.9
609.25549	4.5
672.27063	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94343	0.7
57.03301	0.9
58.00475	0.8
59.01249	11.3
61.22971	0.8
61.98697	3.1
62.66527	0.7
67.01755	3.2
68.99685	2.1
69.03323	2.1
70.05765	3.2
71.01274	5.9
72.99155	1.1
73.02825	2.2
85.02812	5.9
87.00745	1.4
87.04387	5.0
88.98626	0.8
89.02322	1.8
89.91291	0.6
92.40446	0.7
93.03314	5.7
95.01261	1.0
96.95894	2.0
97.02840	1.2
98.19788	0.9
99.04353	0.9
100.03909	0.6
101.02319	4.4
109.02876	1.7
109.06483	0.7
111.04420	1.3
113.02331	2.3
114.05489	2.4
114.06252	0.9
117.03352	3.1
119.04919	100.0
120.05276	3.5
120.99536	1.5
121.02840	0.9
122.02309	0.7
123.00797	1.4
125.02332	1.1
127.03886	4.6
133.02803	1.4
135.04443	3.4
137.02350	2.4
137.09631	4.8
139.00246	1.2
139.07558	1.4
145.02856	11.0
147.04408	1.3
151.00259	4.1
151.03928	1.3
153.01785	1.6
153.05469	1.3
155.03384	1.3
155.08099	1.1
155.09387	1.3
155.10681	23.9
156.10977	0.9
157.89996	0.7
159.04416	1.4
160.05179	0.8
161.02365	1.7
163.03925	65.5
163.11145	0.7
164.04291	3.2
165.05498	1.4
166.02646	10.6
167.06114	0.8
169.07526	0.8
169.12282	0.9
173.04488	3.2
175.03976	2.0
176.00592	0.7
177.01871	5.0
179.03415	2.4
179.05479	0.7
179.06992	0.7
179.10699	2.3
181.04993	35.1
181.08659	2.9
182.05286	1.4
187.03978	2.0
191.05531	29.4
191.10776	2.0
192.05896	2.5
195.05582	1.1
195.10202	1.8
199.09697	17.9
200.10002	0.9
203.03438	9.3
205.04955	1.1
213.11275	1.2
218.05766	10.7
223.09695	1.3
233.04607	1.1
233.08151	11.6
241.10794	5.3
247.08740	1.3
253.10817	1.3
255.12332	1.4
264.11618	0.8
265.09756	1.2
283.11807	8.5
291.07788	3.1
292.10800	0.8
297.11792	1.1
299.09814	0.9
310.11975	3.7
343.13962	7.7
350.06183	0.7
353.08896	1.1
385.12900	2.4
415.14072	5.7
437.18433	1.4
447.16586	25.3
447.22794	1.6
448.17044	2.8
477.17203	0.9
507.18710	72.1
508.19061	10.1
549.19684	1.5
609.12982	1.3
660.67224	0.8
669.24445	5.8
670.26477	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	669.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65362	0.3
54.41415	0.3
57.03326	0.6
58.00449	0.3
59.01246	4.9
59.20416	0.3
61.98712	1.2
66.63624	0.3
67.01770	0.8
68.99683	0.5
69.03316	0.9
69.19893	1.9
69.20315	1.3
71.01258	2.7
72.99168	0.5
73.02815	1.2
75.00735	0.4
81.03355	0.3
83.04903	0.4
85.02814	3.8
85.88041	0.3
87.00748	1.1
87.04388	4.8
89.02342	0.8
93.03333	2.8
94.03728	0.3
95.01281	0.5
97.02837	1.0
98.19713	0.5
99.04362	0.8
101.02309	2.0
103.90723	0.3
108.02047	0.4
109.02829	0.7
110.86860	0.3
111.04398	0.6
113.02310	0.9
116.92765	1.0
117.03305	2.2
119.04910	100.0
120.05255	3.0
121.02821	0.8
123.04445	0.4
124.01609	0.4
125.02288	0.7
125.05985	0.5
127.03951	0.5
132.05693	0.4
133.02850	0.6
133.06506	1.5
135.04407	1.1
135.07990	0.5
137.02322	0.7
137.05998	0.4
137.09612	3.9
139.07552	1.4
145.02850	6.9
146.03210	0.6
147.04306	0.3
151.11179	0.6
155.10680	19.7
156.11034	0.9
159.04364	0.5
161.02373	0.4
161.04768	0.3
161.05977	2.1
163.03912	51.7
164.04245	1.9
167.10733	0.5
169.12254	1.3
173.04454	1.3
177.01805	1.7
177.05482	0.5
177.09187	0.7
179.03418	0.6
179.10730	2.6
181.08646	2.6
187.03963	1.1
191.05531	18.7
191.10721	1.3
191.32056	0.4
192.05879	0.9
193.12241	0.8
195.10155	1.5
197.11700	0.5
199.09685	15.1
199.13362	0.5
200.10011	0.7
205.05017	1.7
209.11736	0.5
213.11276	1.1
223.09656	0.8
237.11385	0.8
241.10806	4.6
242.11073	0.6
253.10774	1.2
255.12294	1.6
283.11807	6.2
284.12109	0.4
288.79172	0.4
291.07346	0.4
299.10294	1.0
310.11960	0.4
325.09375	0.8
327.14502	0.9
343.13977	9.6
344.14209	0.8
353.08841	1.2
359.15063	0.3
445.11337	0.4
507.18674	54.3
508.18939	7.1
508.25848	0.6
517.21088	1.6
549.19745	1.0
635.74615	0.3
669.23328	2.6
669.40851	0.6
670.25806	1.3
681.12109	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.3701
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	3.7
58.00469	1.8
59.01251	27.9
61.98694	2.1
67.01744	1.4
67.71332	1.0
68.65637	0.9
68.99673	1.9
69.03326	3.2
71.01257	17.4
72.99170	1.7
73.02825	2.2
78.95792	2.1
83.01266	1.3
83.04919	1.4
85.02824	4.7
87.00786	1.4
89.02320	12.9
93.03334	3.5
95.01247	2.5
96.51642	1.1
96.95898	1.6
97.02847	1.3
99.04400	1.7
101.02319	11.9
109.06461	1.6
111.00784	1.4
111.04436	1.0
113.02348	5.4
116.92757	3.9
119.03410	4.6
121.02827	5.0
123.04388	1.4
125.02325	1.2
125.09548	1.3
134.03627	1.2
135.04408	2.1
135.08081	1.2
148.84206	1.0
149.02232	1.4
149.05965	1.7
150.06754	9.9
152.99495	1.2
153.01900	1.5
162.06772	43.9
163.07582	7.8
165.05450	1.2
173.04440	1.6
176.08392	5.3
177.09129	17.4
179.05507	2.3
191.05545	10.9
192.05885	2.1
195.13969	1.3
201.09349	1.6
207.10165	4.8
223.06151	1.4
223.13298	5.2
225.11327	2.1
240.80009	1.0
242.53745	1.0
263.16498	1.9
265.21814	2.3
281.17645	5.5
281.21118	1.8
309.20782	5.7
327.21796	5.4
410.28436	1.9
413.23203	1.6
425.30713	1.3
434.98300	1.0
435.20343	2.7
460.32108	1.9
469.29871	1.5
487.23599	1.3
487.30341	5.1
489.27225	12.0
505.31650	2.2
513.58368	1.0
649.34351	3.4
667.37122	100.0
668.37421	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	667.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.7
56.31032	0.4
59.01252	11.5
63.69980	0.4
71.01258	8.3
72.99196	1.1
73.02830	3.0
83.01263	2.3
85.02821	5.3
85.99937	0.8
87.00751	1.6
89.02319	3.4
95.01247	1.1
98.20604	0.9
99.00750	1.4
101.02327	7.4
111.00763	1.0
113.02340	2.7
119.03419	1.1
119.89070	0.5
121.02857	2.7
125.02317	0.5
136.74927	0.4
145.02858	0.9
147.04379	0.7
150.49428	0.4
159.04410	1.8
164.64523	0.4
191.05588	1.4
229.79779	0.7
240.04337	0.6
255.06627	1.2
263.07031	0.7
265.08673	1.1
267.06647	0.9
268.07397	2.3
268.60880	0.5
269.08148	3.3
270.08942	1.6
280.07401	0.6
281.08231	5.5
282.08957	3.3
283.09778	3.9
285.03790	0.5
293.08200	1.6
295.09726	2.0
296.07178	0.5
296.10437	1.5
297.11420	0.6
299.09409	2.2
300.09860	1.0
309.11166	1.0
311.09143	1.9
311.12582	0.7
312.10187	0.6
313.10846	0.9
314.08017	1.2
314.11606	5.6
315.12366	3.0
326.11545	7.3
327.12314	5.9
329.13959	12.0
330.14285	1.1
340.09610	0.8
341.13980	7.7
342.14435	1.1
343.11798	2.2
355.11877	3.3
356.12607	1.1
369.13049	0.8
385.15033	0.5
445.14957	0.9
461.14398	1.4
469.13528	1.1
473.14297	2.2
476.16916	12.8
477.17307	1.3
488.16916	5.3
491.19241	100.0
492.19525	12.2
503.19250	80.8
504.19516	10.4
521.20325	10.5
522.20715	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	665.3183
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00468	1.8
59.01251	35.3
61.98687	2.6
67.01758	1.5
68.99692	2.8
69.03323	35.6
69.15908	2.4
69.16305	12.7
71.01250	24.0
72.99188	1.9
78.95776	2.0
85.02833	7.0
87.00750	3.7
89.02319	25.0
93.03339	9.9
95.01266	5.0
95.04902	2.0
96.95859	1.3
97.02832	46.3
98.03165	1.3
101.02325	11.7
105.03352	1.7
106.04083	1.2
111.04391	1.1
111.08059	1.4
113.02339	10.6
113.09567	1.3
114.25312	1.2
119.03388	10.0
119.04878	2.0
121.02829	3.7
121.06454	2.8
123.04404	10.0
131.03386	1.6
133.02843	3.2
134.03613	2.9
135.04448	7.0
136.04758	1.6
141.01797	8.7
141.97894	1.3
143.03319	1.3
147.04460	2.0
149.02354	5.3
149.05991	18.2
165.12773	2.4
167.07042	3.5
167.10649	1.3
175.03935	1.8
179.03360	2.8
179.05603	2.9
181.12282	2.6
191.05507	11.7
192.05844	2.3
193.04977	38.7
194.05333	3.6
195.13835	1.3
197.11673	1.9
205.08585	2.0
211.13326	2.9
216.99388	1.2
240.26738	1.4
247.20628	3.5
273.18414	1.6
273.67316	1.3
274.08459	1.4
274.18686	1.4
291.19656	24.3
292.19952	1.7
293.21353	1.6
309.20703	100.0
310.21085	9.2
311.22330	2.7
333.20688	2.6
351.21451	1.8
355.10336	2.8
361.20316	9.6
373.11407	35.6
374.06421	1.9
374.11703	3.7
379.21097	2.5
411.23532	1.8
433.22299	34.0
434.22540	4.7
473.18875	2.4
487.34235	3.2
503.26434	7.2
595.27393	8.5
665.22986	1.6
665.32098	28.4
666.32068	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	665.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	12.1
60.99193	3.0
61.98700	3.2
67.01746	3.5
68.99684	1.7
69.03322	46.2
70.66257	4.2
71.01261	13.6
71.04874	2.6
72.99191	2.3
73.02835	3.3
73.76728	1.3
78.95773	5.3
79.01778	1.6
83.04915	1.7
85.02814	3.1
87.00748	1.4
89.02313	4.9
93.03334	15.6
94.82993	1.3
95.01286	1.9
95.04893	2.4
97.02827	100.0
101.02321	5.6
105.03345	3.9
107.04886	2.0
111.00816	1.5
111.04391	1.4
111.08047	8.5
113.02322	4.5
119.03408	2.1
119.04945	1.7
121.02842	4.8
121.06458	1.6
123.04402	17.7
125.02328	3.4
133.02829	2.4
134.03596	1.8
135.04376	5.6
141.01822	6.4
147.04337	1.9
149.05978	25.6
153.09009	2.4
167.07016	6.5
179.03413	2.8
191.05565	12.2
191.14369	5.9
193.04985	40.5
197.11850	8.4
207.13602	1.6
233.15419	5.3
235.13400	4.2
251.16394	2.1
253.10745	6.0
253.13171	1.6
271.20609	2.1
278.73227	1.7
279.12469	2.4
289.18036	1.6
291.19647	15.4
293.21191	3.3
309.20673	50.9
310.20941	5.0
315.19461	5.4
327.21768	3.6
333.20621	19.7
351.21725	6.3
373.11343	2.8
374.05951	2.2
379.21228	1.7
411.23849	2.9
433.22501	3.5
584.24542	1.6
595.26752	1.7
665.32397	37.2
666.32098	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	665.3182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02703	1.8
58.00463	2.2
59.01252	43.0
60.34881	1.6
61.98688	3.6
69.03325	23.8
70.47279	5.9
70.47610	1.8
71.01257	20.0
72.99194	3.4
78.95780	13.4
85.02818	4.8
86.60226	1.7
89.02309	18.6
93.03325	5.8
95.01266	4.9
95.04907	3.7
96.95834	2.0
97.02817	22.3
97.06489	1.6
101.02303	11.5
106.04063	1.7
109.02811	1.9
113.02360	8.9
119.03394	6.7
119.04893	2.9
121.02812	5.6
121.06457	4.5
123.04387	7.1
133.02863	2.0
135.04414	2.4
137.05923	1.5
139.00325	2.0
141.01822	3.1
147.04417	2.2
149.02350	8.5
149.05975	11.1
151.11200	2.1
152.99474	5.1
159.04390	2.1
165.05431	2.2
167.06973	2.7
168.04260	1.9
175.03860	3.5
179.03416	3.2
179.05470	2.4
179.14340	2.6
181.12231	3.7
191.05577	9.3
193.05002	21.6
199.13329	13.4
200.13629	5.2
207.13737	3.3
219.10310	2.1
247.20551	2.8
251.13008	3.9
262.24823	1.9
269.04495	4.5
281.21112	2.0
291.19635	25.2
293.21158	2.5
305.13947	12.8
306.14444	2.3
309.20709	100.0
310.20941	8.5
347.25629	1.8
348.26138	3.1
355.10278	1.9
357.16940	5.2
358.17538	1.7
361.20212	16.3
365.26944	36.2
366.27289	46.1
367.27362	2.0
373.11371	17.2
375.18002	5.6
375.54889	1.7
376.40134	1.8
417.83936	1.7
433.22263	23.4
434.22586	3.4
437.86896	1.8
442.11041	2.0
464.71585	1.9
485.25461	2.5
500.66669	1.7
503.26572	6.0
508.98721	1.7
590.34698	11.6
591.34943	34.1
592.35077	3.7
595.27655	4.1
621.31848	2.5
665.32111	18.2
666.32306	5.5
671.30231	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	665.26
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32161	0.6
52.47232	0.6
59.01257	3.2
61.98687	1.2
67.01766	1.8
69.03322	9.6
70.98732	1.7
71.01255	3.9
73.02816	1.2
76.33821	0.6
78.95759	1.2
79.01768	0.8
81.03330	1.4
83.04906	1.1
85.02817	4.7
87.00748	5.5
89.02307	1.7
89.03864	0.8
93.02771	1.1
93.03332	12.6
95.04864	1.1
97.02828	18.4
101.02311	1.6
103.81185	0.7
105.03306	2.0
107.04910	1.1
108.02010	1.3
109.02808	3.1
111.04353	2.8
111.08006	1.8
113.02302	1.0
117.03333	1.4
119.03369	1.2
119.04963	0.9
121.02832	1.7
123.04411	5.1
125.09623	1.0
127.03842	0.9
129.01802	1.0
132.02049	2.3
133.01874	0.8
133.02847	14.6
133.30386	0.6
134.03636	10.5
135.04419	40.0
136.04745	4.3
137.02293	3.6
137.09627	0.7
141.01843	1.2
147.04366	1.0
149.05984	5.5
151.03905	1.1
152.99409	1.0
153.09085	1.0
155.03329	2.1
160.01509	3.2
161.02348	9.4
162.02669	0.8
165.01839	0.7
167.07005	1.3
168.53650	0.7
169.98436	0.7
173.04463	4.8
177.01778	2.0
178.02634	5.7
179.03412	26.1
180.03712	1.4
181.12199	1.0
189.01559	2.9
191.05542	25.7
191.14279	1.1
192.05829	3.2
193.04890	9.4
197.11690	2.0
200.00876	3.8
201.01643	8.1
211.13312	0.8
213.05362	0.9
215.05470	1.8
227.07193	0.9
235.13426	1.0
244.10663	1.1
253.04942	1.1
253.10706	2.1
255.82208	0.7
279.12350	1.4
291.19577	3.8
309.20731	11.5
310.20813	1.3
315.19772	0.7
329.17236	3.1
330.17285	0.8
333.20633	5.7
351.06982	2.5
351.21600	2.1
352.07700	1.1
373.11102	0.9
374.01691	0.9
374.06155	11.5
375.06934	16.9
376.07040	1.1
407.22083	1.6
433.22119	1.1
447.21378	2.2
472.24072	2.7
473.19260	18.0
473.24411	1.3
474.19519	2.0
491.20773	3.8
665.25482	100.0
666.25732	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	664.3831
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	21.6
60.99185	0.8
61.98710	1.8
66.88457	0.7
69.03323	6.2
71.01259	4.6
71.46654	1.2
78.95773	9.1
85.02824	1.2
88.77571	0.6
88.98673	1.7
89.02315	4.6
93.03329	1.6
95.01253	1.6
95.04914	0.7
97.02826	5.4
101.02328	1.8
113.02305	1.6
119.03365	1.2
121.02796	1.7
121.06460	2.2
123.04392	1.7
136.45757	0.7
144.75566	0.6
148.30745	0.7
149.02287	0.7
149.05984	1.9
151.11287	0.7
152.99496	3.3
165.12773	1.7
168.04256	1.9
179.41653	0.7
181.12247	1.8
191.05547	3.0
192.05766	0.6
193.04958	4.6
199.13315	22.5
199.15108	1.4
199.92897	0.6
200.13669	1.4
224.06870	1.0
237.11017	0.6
242.07903	3.0
251.12834	0.9
279.19745	2.7
291.19632	5.4
305.13898	2.2
309.20724	19.9
331.15332	0.7
347.25867	4.0
355.10397	0.8
357.17050	1.3
361.20218	3.7
365.26935	100.0
366.27316	9.9
373.11264	3.5
375.18243	1.1
433.22226	4.4
465.14957	0.7
503.26776	1.5
519.27209	1.7
565.67010	0.7
590.34619	60.6
591.34875	8.1
595.27454	0.9
609.43030	0.6
665.32135	4.4
688.00098	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.4067
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92672	0.2
52.15318	0.2
54.74718	0.1
55.67651	0.2
61.98704	100.0
62.63770	0.2
65.24316	0.2
75.42419	0.2
78.52177	0.2
78.95778	0.3
93.03364	0.3
145.39981	0.2
152.99536	0.2
171.10188	0.2
191.05577	0.7
307.19244	0.3
322.82608	0.1
522.27515	0.2
601.13782	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47563	1.8
57.54275	1.5
58.00462	1.8
59.01247	23.2
60.73874	2.3
67.01753	1.7
68.99680	8.0
69.03321	11.5
70.67673	3.7
70.68032	3.8
71.01256	29.0
72.99175	11.7
73.02807	6.3
74.41604	1.8
75.00747	4.0
76.64114	1.9
83.01231	3.9
85.02812	6.9
87.00748	63.1
89.02313	5.7
93.03336	10.5
95.04917	3.6
96.95872	5.1
96.96866	2.0
99.00775	2.8
101.02323	21.1
107.04895	5.9
109.02848	3.8
111.00770	11.5
111.04374	1.7
113.02324	17.2
115.00262	61.3
119.03405	2.1
119.04933	3.5
121.02834	7.5
121.06496	14.9
123.04394	4.2
125.02318	2.0
126.26985	1.7
127.00307	1.9
127.03878	6.3
129.01822	4.5
131.04880	4.3
133.06448	6.1
134.03690	1.9
135.04404	5.9
137.02313	2.7
139.03900	2.7
143.04903	2.4
149.05994	14.9
149.62439	1.7
150.95779	2.0
151.03918	4.0
153.05499	20.7
159.04440	17.0
161.06032	3.6
165.01826	3.0
165.05498	7.3
167.03458	2.7
171.04372	2.8
173.00864	25.4
173.05917	3.7
175.02409	100.0
176.02736	4.8
177.04033	2.7
177.05481	20.8
179.03409	3.9
180.04121	2.4
181.04962	4.1
187.04002	3.2
189.01892	2.2
189.05475	1.9
191.05486	7.0
191.07092	4.9
193.04950	5.8
195.06599	4.6
197.04480	6.4
204.04134	3.3
205.04976	6.7
205.08597	2.0
209.04790	4.1
209.08224	8.7
217.04819	2.4
219.06551	7.6
221.04469	2.0
221.08185	2.0
225.03960	3.9
237.07686	4.7
249.03972	4.5
263.05563	5.2
267.08826	1.8
267.15042	1.8
277.07077	2.4
281.06638	8.5
309.06183	4.4
443.12039	3.8
455.11765	5.6
457.13629	15.9
471.11395	3.2
489.12524	38.3
490.12784	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	663.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13805	0.6
57.03339	0.8
59.01255	2.1
61.98708	0.9
65.65048	0.5
67.01749	1.4
69.03328	0.8
69.50661	3.6
71.01254	2.0
78.95792	1.3
81.03321	0.6
83.04910	0.9
83.20495	0.5
85.02820	9.7
87.00751	3.0
93.03339	9.3
97.02848	1.0
99.04442	0.6
105.03350	1.1
108.02084	1.6
109.02815	3.2
111.04405	1.7
121.02850	2.7
123.04416	0.5
124.01545	5.4
125.02327	1.9
126.03128	1.1
127.03924	2.5
132.02060	1.5
133.02856	8.1
134.03651	4.8
135.04414	72.3
136.04800	2.3
137.02361	3.4
145.02884	0.8
149.05923	0.7
150.03143	3.4
151.03926	9.0
159.04407	0.9
160.01572	2.1
161.02356	12.7
162.03027	1.0
171.10175	0.9
172.05217	1.2
173.04489	5.7
174.03168	1.9
175.03969	0.6
177.01846	2.0
178.02557	0.8
179.03416	17.4
180.03978	1.0
187.03975	0.6
191.05536	100.0
192.05901	3.6
200.04733	1.0
209.06056	0.8
213.05528	1.6
215.05550	2.7
229.82526	0.5
252.11839	0.5
256.11118	1.5
270.12329	0.9
283.13370	1.6
290.07953	0.8
299.12833	0.6
299.16202	0.5
307.08182	3.5
307.19037	1.2
308.08978	9.6
309.09348	0.9
313.10904	0.8
325.14417	0.9
327.12408	0.6
343.15353	2.1
350.82935	0.5
351.07230	7.8
352.07986	6.1
353.08737	2.0
355.15265	0.9
371.15152	1.3
391.22830	1.0
409.23862	2.7
427.24857	8.0
428.25046	1.1
445.25827	1.9
453.22784	7.4
454.23325	1.6
471.23853	38.8
472.24066	5.8
489.24786	0.7
500.47513	0.5
505.23972	0.6
663.29999	5.8
664.30402	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.3914
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20948	0.1
61.98704	100.0
66.92316	0.1
69.48256	0.1
70.84215	0.2
70.84537	0.2
78.95794	0.5
82.57091	0.1
85.30305	0.1
115.88614	0.1
128.60030	0.1
152.99504	0.3
191.05637	0.2
209.11893	0.1
289.18213	0.1
303.56946	0.1
307.19296	0.4
420.37488	0.1
431.49121	0.1
461.61151	0.1
524.62408	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	0.4
59.01249	1.3
60.99178	0.8
67.01760	3.3
69.03342	0.8
71.01261	2.2
71.07827	0.6
71.08149	0.5
73.02821	0.4
78.90261	0.3
81.03330	1.0
83.04902	0.5
85.02821	9.6
87.00748	4.5
93.03333	20.1
94.03711	0.8
95.04950	0.4
105.03339	0.7
106.04163	0.4
107.04946	0.6
108.02058	1.8
109.02853	2.7
111.00766	0.4
111.04401	2.8
121.02851	1.5
122.03659	1.0
123.04389	0.6
124.01570	3.2
125.02372	1.7
126.03123	1.0
127.03894	2.2
129.01802	0.7
132.02055	3.5
133.02864	8.6
134.03638	3.9
135.04413	55.6
135.95959	0.3
136.04817	1.8
137.02321	2.0
150.03134	2.6
151.03912	5.9
154.02472	0.4
155.03369	0.6
160.01556	4.4
161.02351	5.4
162.03081	0.6
171.02962	0.5
172.05215	0.8
173.04453	7.4
174.03125	1.8
177.01852	2.8
177.05545	0.4
178.02650	1.5
179.03419	13.3
180.04024	1.3
185.06001	0.5
187.03923	0.7
191.05534	100.0
192.05875	4.2
199.03941	0.4
200.04767	0.7
213.05521	1.0
215.05518	3.2
257.04590	0.4
283.13416	1.4
291.19772	0.5
299.16498	0.5
301.14597	1.0
307.08282	1.6
308.08984	7.4
309.09348	0.6
309.20743	1.4
323.07584	0.5
326.11572	0.5
332.49432	0.4
343.15479	1.2
351.07172	13.4
352.07910	6.2
353.08755	1.8
356.16794	0.4
364.57391	0.4
371.14893	1.0
397.23373	0.4
407.22290	1.4
425.23352	8.7
426.23459	1.0
443.24435	1.6
451.21344	3.9
469.22311	30.5
470.22607	5.4
487.23325	0.7
661.28632	26.1
662.28979	5.3
669.63690	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86731	0.3
55.32095	0.4
59.01246	1.5
59.81763	0.4
60.99153	0.4
65.52448	0.3
67.01761	2.3
69.03319	0.8
69.18337	2.5
69.18766	1.7
71.01242	1.5
73.02853	0.4
81.03328	1.0
83.04916	0.6
83.13484	0.4
85.02821	9.4
87.00739	4.0
88.02383	0.4
93.03333	13.9
98.20502	0.8
105.03352	0.8
107.04884	0.9
108.02037	1.1
109.02799	2.3
111.04411	2.1
121.02815	1.0
122.03622	0.9
124.01562	2.0
125.02300	0.7
127.03926	2.1
132.02054	3.0
133.02867	5.2
134.03632	3.0
135.04414	35.8
136.04781	1.5
137.02350	1.7
150.03142	2.0
151.03914	4.2
155.03387	0.9
156.75909	0.5
159.04477	0.7
160.01564	3.8
161.02344	5.3
162.02800	0.4
172.05206	0.6
173.04485	5.8
173.05879	0.7
174.03119	1.3
177.01820	1.8
178.02576	1.1
179.03401	7.6
187.03914	0.7
191.05536	100.0
191.97687	0.4
192.05875	3.9
200.04675	0.7
213.05370	1.0
215.05515	2.2
283.13361	1.7
299.16641	0.5
301.14487	1.4
307.08243	1.8
308.08984	3.8
309.09219	0.5
309.20740	1.2
325.14474	1.0
326.11426	0.4
327.15936	0.6
343.15302	0.5
351.07138	6.5
352.07880	3.4
353.08658	1.9
371.14972	0.8
407.22171	1.6
425.23340	6.6
426.23709	0.6
443.24304	1.5
451.21280	3.0
466.81284	0.4
469.22308	21.1
470.22552	4.2
661.28699	13.8
661.39563	0.8
662.29181	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59194	0.2
59.01245	1.1
60.99184	0.5
65.09531	0.3
67.01758	1.2
69.03336	0.4
70.99275	0.7
71.01254	1.3
72.79519	0.3
73.02834	0.4
81.03342	0.6
83.04885	0.5
85.02821	9.0
87.00745	3.3
93.03337	9.9
94.03689	0.3
99.04414	0.4
108.02048	1.0
109.02830	1.6
111.04400	2.0
121.02829	0.7
124.01549	1.2
125.02310	0.6
127.03934	2.1
132.02069	3.2
133.02881	3.4
134.03667	2.0
134.85570	0.3
135.04411	22.8
136.04762	1.1
137.02354	1.6
139.03976	0.3
150.03119	0.9
151.03905	2.5
155.03404	0.4
159.04402	0.5
160.01584	4.9
161.02342	4.1
161.05981	0.3
171.02916	0.5
172.05223	0.7
173.04471	5.4
174.03142	2.1
177.01886	1.5
178.02603	0.9
179.03424	6.0
185.05984	0.5
187.03824	0.6
191.05534	100.0
192.05840	3.3
199.03937	0.5
200.04773	0.6
209.06108	0.4
213.05547	1.1
215.05556	1.6
227.03433	0.5
257.04480	0.5
259.13422	0.3
283.13458	1.7
299.16464	0.6
301.14456	1.3
307.08298	1.1
308.08939	2.6
309.20636	1.2
325.10629	0.4
326.11365	0.5
337.14606	0.4
343.15469	0.6
351.07187	4.1
352.07819	1.7
353.08685	1.3
356.16467	0.4
371.15213	0.4
389.21326	0.3
400.15359	0.5
407.22397	1.6
425.23364	8.4
426.23642	1.0
443.24521	1.8
451.21121	2.4
469.22272	23.7
470.22684	3.3
604.63904	0.4
659.90283	0.3
661.28558	9.7
662.28870	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	661.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	0.4
57.26892	0.3
59.01237	1.6
59.19219	0.3
67.01751	1.1
69.03316	0.4
71.01254	1.8
73.02829	0.4
74.67742	0.3
79.32078	0.2
79.91586	0.3
81.03319	0.3
83.04906	0.8
85.02824	11.6
86.03197	0.4
87.00741	3.0
93.03333	8.5
96.95889	2.6
98.20505	0.6
99.04408	0.4
107.85708	0.2
109.02856	1.3
109.83425	0.3
111.04394	1.9
119.08453	0.2
127.03911	2.5
132.02048	0.3
135.04414	0.4
137.02342	0.3
143.07039	0.3
146.03691	0.4
153.09111	0.3
155.03517	0.4
158.03606	0.6
159.04454	0.7
160.01588	0.5
160.05139	0.3
161.02324	0.4
167.07057	0.6
171.02878	0.7
171.04250	0.3
172.05257	1.4
173.04463	2.7
173.05861	0.5
174.03160	0.8
181.08572	0.8
187.03909	0.9
191.05540	100.0
192.05894	4.2
199.03918	0.9
200.04703	0.8
201.05283	0.3
209.11786	0.6
213.05609	0.7
215.03522	0.3
227.03485	1.2
255.13849	0.4
257.04514	0.8
283.13419	4.5
284.13815	0.8
287.12891	0.3
299.16574	1.1
301.14447	1.7
302.14932	0.3
308.10474	0.4
325.10776	0.5
325.14453	0.5
326.11520	0.6
327.12302	1.0
327.15842	0.4
329.13690	0.3
341.13931	0.5
343.15485	0.6
389.21194	0.5
407.22113	1.5
425.18198	0.5
425.23355	4.2
426.23859	0.6
427.21255	0.4
443.24261	1.8
451.21237	6.2
452.21576	1.0
469.22290	40.4
470.22635	5.5
487.23370	0.6
523.76337	0.3
661.28607	9.1
662.28607	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	661.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50547	0.4
52.51493	0.4
59.01254	1.5
60.99177	0.7
63.44182	0.5
67.01764	2.1
71.01261	2.1
78.66467	0.5
83.04912	0.7
85.02826	9.2
87.00744	3.5
93.03339	13.3
94.03668	0.6
105.03348	1.1
107.04934	0.7
108.02044	2.2
109.02888	2.7
111.00774	0.7
111.04409	2.5
121.02849	1.8
122.03631	1.0
123.04408	0.5
124.01563	3.9
125.02354	1.9
126.03138	0.9
127.03931	2.8
132.02084	1.2
133.02853	12.5
134.03671	4.2
135.04420	70.6
136.04695	2.5
137.02347	3.4
139.03885	0.5
146.05754	0.5
150.03123	3.4
151.03911	6.8
155.69199	0.5
159.04442	0.5
160.01561	2.3
161.02362	16.9
161.06053	0.6
162.02931	1.3
167.03452	0.6
167.07060	0.7
171.03021	0.7
172.05214	1.3
173.04451	6.5
174.03174	1.3
176.04832	0.4
177.01834	3.0
178.02553	1.1
179.03423	16.6
180.03923	1.5
185.06004	0.8
187.03960	1.1
191.05545	100.0
192.05873	3.5
194.02211	0.5
199.03891	1.0
199.07594	0.5
209.05969	0.7
212.04752	0.5
213.05537	1.2
215.05620	2.5
227.03523	0.7
229.01390	0.6
243.03148	0.5
254.09404	0.9
268.10968	0.6
283.13348	1.6
284.43939	0.4
290.07782	0.8
301.14441	0.6
307.08270	2.7
308.08990	7.2
323.07709	0.6
325.10840	0.6
325.14331	1.1
327.16074	0.8
343.15363	2.0
351.07199	7.3
352.07938	5.0
353.08759	3.9
371.14984	1.7
407.22195	2.3
425.23273	5.5
426.23621	0.8
443.24429	1.0
451.21310	5.5
452.21744	0.6
469.22324	26.6
470.22827	4.2
487.23520	0.8
661.28589	14.8
662.28845	3.9
668.50092	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3754
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	1.1
61.98701	100.0
63.50983	0.6
71.50096	0.7
71.50513	0.8
78.95760	4.4
111.02967	0.8
123.87294	0.7
152.99489	1.3
167.77927	0.7
250.52844	0.7
417.24341	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3561
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42710	0.4
57.03326	0.5
59.01238	1.1
61.18743	0.4
61.98706	1.5
62.96287	0.5
71.01259	0.9
71.30910	0.6
71.31268	0.5
78.95776	100.0
78.98456	0.6
79.95610	0.8
80.17711	0.4
80.96394	5.3
81.03316	0.8
83.04885	2.7
93.03329	1.1
94.97978	1.2
95.04874	0.4
96.96843	8.1
101.02312	0.5
108.20700	0.4
110.86953	0.4
113.09606	1.4
114.12234	0.4
120.62466	0.4
122.97525	0.6
134.97476	0.5
134.98444	1.3
143.62054	0.4
146.02844	0.4
148.99078	0.7
150.97964	0.7
152.99490	58.9
153.99805	1.0
163.11194	1.6
164.98541	0.9
165.12794	0.7
170.99199	0.8
171.00566	6.8
179.14247	0.6
191.05556	2.9
191.10782	0.5
195.13820	10.2
196.14169	0.5
209.11768	24.9
210.12125	1.7
214.99287	0.4
225.00679	2.2
227.12801	4.3
262.12180	0.4
277.21735	9.6
278.22174	1.0
295.22772	37.3
296.23080	2.6
299.04413	0.5
319.39905	0.4
363.12134	11.1
364.12335	0.8
381.13141	1.7
392.32425	0.4
431.22006	25.9
432.22250	2.2
449.23123	8.9
449.28888	0.3
450.23373	1.2
465.10059	0.4
577.26941	11.0
578.27307	1.7
659.26288	2.5
659.35663	49.8
660.26709	0.3
660.35925	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	659.3558
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	1.4
61.98696	2.1
69.34829	3.4
69.35247	1.3
71.01239	2.1
78.95777	100.0
78.98473	1.3
79.95614	1.9
80.96394	15.0
81.03333	0.7
83.04885	1.4
83.05331	0.6
86.81939	0.5
87.00768	0.7
93.03371	0.8
94.97957	3.4
96.96837	8.4
97.02843	0.8
99.00716	0.5
113.09594	0.9
122.97457	1.4
134.98448	0.6
148.98997	1.8
152.99495	59.2
153.99884	0.7
163.11172	1.1
164.98563	2.7
165.12802	0.8
171.00546	10.7
173.04465	1.1
180.60800	0.6
181.12212	0.8
182.99628	0.8
185.02763	0.5
191.05554	3.7
195.13861	7.8
196.14467	0.6
201.32242	0.6
209.11765	22.4
210.12090	1.1
211.13380	0.7
225.00597	4.7
227.12828	3.3
243.01762	1.1
277.21704	8.7
278.22113	1.1
295.22781	29.6
296.23071	2.2
299.04471	2.0
363.12091	10.5
364.12396	0.8
376.88345	0.6
381.13217	1.6
431.22037	21.3
432.22229	2.3
449.22946	7.1
512.31183	0.7
561.78772	0.7
577.26843	27.5
578.26929	4.3
659.26178	3.1
659.35699	39.0
660.26459	0.7
660.36005	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	659.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02256	0.5
57.03321	0.9
59.01250	3.1
59.74676	0.5
60.42870	0.5
61.98707	3.8
67.01756	2.0
69.03317	1.2
71.01250	2.0
72.99181	0.5
73.02805	0.8
83.01241	0.6
85.02818	12.6
85.31646	0.6
87.00755	4.6
89.02307	0.8
93.03336	12.6
96.95881	3.4
101.02299	0.8
109.02847	1.2
111.04391	2.4
122.03667	0.6
123.04380	0.9
125.02302	1.3
127.03964	2.8
127.04790	0.6
135.04395	1.4
151.00252	2.4
159.04408	0.7
161.02364	1.0
167.03415	0.7
169.08627	0.7
171.02856	1.9
172.05215	1.1
173.04449	6.2
173.05820	1.0
185.05936	1.2
187.07599	0.6
191.05534	100.0
192.05898	4.9
193.08180	0.6
197.06049	1.0
197.11691	0.7
199.03894	0.9
200.04778	0.8
209.11903	1.0
211.07474	0.6
211.13264	3.1
213.05420	1.1
214.06387	0.7
214.40553	0.6
215.07170	0.9
217.01567	0.6
222.94554	0.6
225.09169	1.2
227.03404	1.7
233.06519	1.0
237.09137	0.7
239.07037	0.9
242.19168	0.7
251.10741	0.7
253.04935	1.1
253.08786	0.8
255.06650	1.7
256.07379	1.5
257.07907	0.9
267.06647	0.7
267.10236	1.0
268.03705	3.1
268.11148	0.7
269.04535	34.5
270.05032	3.2
279.06833	0.8
279.10062	0.9
280.11057	0.9
281.04669	0.7
281.08026	1.1
284.03226	1.5
295.09833	2.4
299.05606	1.3
323.09335	2.8
324.10037	1.4
351.19550	3.3
353.13910	0.8
369.13071	0.7
370.14151	0.8
379.19162	2.8
397.20169	1.9
398.20804	0.7
405.20892	1.6
421.20367	0.6
423.17078	1.1
423.22403	5.0
425.19601	4.7
439.21255	1.5
441.22964	7.2
449.19537	6.3
450.20273	1.2
467.20697	54.2
468.21085	9.0
485.22018	0.7
496.16815	1.0
497.17245	3.5
615.21338	0.9
641.25366	3.7
642.25653	1.5
649.42633	0.7
659.30090	4.2
660.24371	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.256
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00456	1.3
59.01254	19.4
60.55632	0.7
63.63230	0.7
65.03841	1.4
67.01756	2.2
68.99696	8.5
69.03329	16.3
70.05795	3.1
71.01259	12.6
72.01570	0.8
72.99184	1.9
73.02840	0.9
78.95772	0.8
83.01265	2.6
85.02837	7.0
87.00769	1.6
89.02332	10.6
93.03340	24.3
93.66323	0.7
94.03674	0.9
95.01256	1.2
95.04917	1.4
96.95889	1.8
97.02839	1.0
99.04375	0.8
101.02328	24.6
107.04916	2.7
113.02345	5.7
119.03377	4.6
121.02852	31.8
121.06479	12.9
122.03185	1.8
123.04397	1.0
127.03922	5.2
127.11200	4.1
129.01979	0.9
133.02832	0.8
135.04405	2.6
137.02412	1.7
143.03429	0.9
143.05000	0.9
145.06551	1.8
147.04381	1.0
149.02354	3.4
149.04488	0.7
151.00290	0.9
151.03886	2.3
153.05496	17.6
155.03387	0.9
155.10687	3.1
157.12260	18.0
161.02324	1.1
163.07578	1.1
165.01884	3.9
165.05521	5.3
171.04396	1.2
173.04480	2.3
173.05992	4.1
177.01825	3.5
177.05518	0.8
179.03418	7.0
179.05530	1.8
180.03679	1.1
181.04988	2.5
187.07500	1.1
191.05556	26.9
191.07106	2.5
192.04225	4.5
192.05922	2.3
195.06500	0.9
197.04498	17.7
197.06210	1.4
198.04822	1.5
203.12840	100.0
204.06598	1.7
204.13179	6.5
205.08678	2.7
207.06609	5.5
223.09686	1.7
249.07675	3.4
251.09183	0.9
267.08630	1.2
271.15857	0.9
284.03296	0.9
285.04169	2.2
335.23669	0.7
341.08807	13.0
342.08823	1.3
383.17157	2.8
397.11453	0.8
407.67740	0.9
411.12674	1.3
423.21417	1.3
429.14017	37.5
430.14182	4.1
441.22958	1.5
447.09564	2.1
448.10016	0.8
451.83725	0.8
467.20850	3.2
473.13031	65.4
474.13376	8.9
615.26617	25.9
616.27576	4.9
659.25952	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	659.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46112	0.5
59.01250	100.0
60.01587	1.2
61.20454	0.6
61.98712	1.0
69.03326	0.7
69.41409	4.2
71.01237	1.3
84.74389	0.5
85.02828	1.2
93.03348	1.3
98.19775	0.6
101.02318	1.0
109.02829	0.9
133.25566	0.5
134.89436	0.5
137.02345	1.7
164.01079	0.6
165.01828	13.7
175.02390	0.8
179.03453	9.7
180.04193	10.3
181.04947	3.1
191.05513	6.6
191.06871	0.6
193.08606	0.7
193.28830	0.6
194.05771	2.7
195.02866	0.6
195.06561	16.8
196.07315	1.8
210.05357	2.3
211.09656	4.4
225.07626	25.6
226.08051	1.1
271.15674	1.0
350.83389	0.6
359.11276	3.6
374.13660	5.1
375.13867	0.8
388.83902	0.5
389.16052	29.5
390.16434	4.9
419.17334	1.2
432.27612	0.5
437.18149	22.9
438.18494	3.4
441.93124	0.5
491.73080	0.6
560.64075	0.7
659.25433	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62169	0.9
57.70073	0.8
59.01249	100.0
60.01575	1.0
62.41396	0.9
69.77253	3.5
69.77668	2.1
71.01235	1.3
81.97838	0.9
85.02801	1.8
88.98681	1.5
95.81458	0.9
101.02303	1.4
113.02383	1.0
116.92733	2.1
120.21657	0.8
135.04428	1.1
136.01643	1.2
137.02342	2.7
151.03870	1.3
161.02330	4.8
165.01831	27.8
166.02217	1.1
176.04733	1.8
177.05119	1.1
179.03412	20.0
180.04190	24.9
191.05533	22.6
191.07074	1.7
191.90349	1.0
194.05780	10.6
195.06544	44.5
196.06827	1.3
209.08127	26.2
210.05235	8.3
210.08408	1.4
225.07634	85.6
226.07916	5.4
247.87901	0.9
353.08856	2.3
357.09714	3.1
372.12131	4.0
373.12180	1.2
387.14465	34.5
388.14627	4.3
430.41794	0.9
435.16537	21.9
436.17023	2.6
519.53845	1.0
657.20551	4.4
658.20959	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	659.219
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91227	0.5
55.21418	0.6
57.03360	0.9
59.01300	4.1
61.98753	2.3
62.30662	0.5
67.01805	0.8
68.99712	0.9
69.03034	0.9
69.03326	3.0
71.01320	3.6
71.51388	0.8
71.81562	0.5
73.02852	1.0
80.19275	0.5
81.03388	0.9
83.04938	0.6
85.02821	3.8
87.00817	1.2
87.04397	3.9
89.02392	1.7
93.03339	3.9
95.01340	1.5
96.95934	0.9
97.02324	0.5
97.02883	1.3
97.06579	0.7
100.97661	0.5
101.01805	0.7
101.02301	2.6
108.02052	34.7
109.02848	25.9
110.03210	0.8
111.00821	0.5
113.02419	1.7
120.01205	0.6
121.02846	2.5
123.00803	1.3
123.04486	1.5
125.02386	1.0
126.37460	0.5
128.03503	0.8
135.00851	0.9
135.04504	2.5
135.08087	1.0
137.02419	1.8
137.06023	0.7
137.09608	4.0
139.07654	0.9
139.11237	0.7
149.02434	2.4
150.03194	0.6
151.03986	1.5
152.01057	53.5
153.01843	32.3
153.05592	0.6
154.02238	1.6
155.03419	1.1
155.10683	21.8
156.11093	0.6
161.02423	1.9
163.04016	1.5
163.11293	0.8
165.01924	0.7
167.03354	1.2
169.12334	1.3
173.04462	3.5
176.04036	0.9
179.03505	2.1
179.10773	1.9
181.08777	2.2
191.05533	8.5
191.10764	1.2
192.05986	0.7
199.09700	7.6
199.11392	0.7
213.11279	0.7
241.10860	2.3
255.12505	0.9
259.08975	5.4
259.59207	1.1
283.11929	2.1
311.09393	0.6
326.11530	0.7
335.07724	1.4
341.14117	1.1
343.14108	0.8
353.08899	0.5
357.15530	1.0
374.11121	0.5
453.17639	2.5
474.31390	0.6
479.15741	1.5
497.16647	100.0
498.16974	12.9
539.17590	8.3
540.18280	1.6
599.19794	2.2
659.21838	27.2
660.22028	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	8.0
59.01238	2.0
63.02261	3.6
65.00189	10.0
69.21214	12.0
69.21526	1.2
83.01264	6.8
85.02804	1.8
93.03330	1.5
96.61337	1.0
107.01272	16.5
118.94920	1.1
123.04449	1.8
125.02333	93.1
126.02679	1.2
136.05190	4.0
149.02312	2.4
151.00272	37.9
152.00606	1.5
159.04404	1.4
161.02272	1.4
165.01788	1.8
167.03348	1.9
172.05215	6.1
174.03136	3.0
177.63828	1.0
185.05988	3.0
186.06807	6.6
191.05490	6.7
197.05974	1.3
199.03923	1.4
200.04643	1.9
210.06912	1.3
211.03957	1.9
212.04747	9.3
227.03314	2.1
228.04167	1.5
240.04239	2.3
243.02867	1.7
255.02957	2.5
256.03650	3.1
269.04556	3.0
271.17105	1.7
281.15317	1.9
283.02414	2.3
284.03302	13.0
285.04031	11.2
295.02454	1.4
296.03320	4.6
297.03888	2.1
297.14944	22.0
298.04886	2.0
298.15161	3.5
301.11957	1.6
308.03180	2.0
309.04034	9.9
315.15961	16.4
316.16428	1.8
323.12955	1.8
325.14532	8.1
337.03522	4.4
337.18845	1.1
339.16055	2.5
341.13940	9.1
343.15445	29.0
344.15912	2.6
367.15454	11.0
369.13376	63.1
370.13614	9.4
391.15448	13.4
401.98199	1.1
409.16357	1.3
433.16559	5.0
443.46509	1.2
449.15988	5.3
467.17117	12.9
477.15610	21.2
478.15839	2.1
495.16602	100.0
495.32144	2.8
496.16934	17.8
501.15817	1.9
510.56039	1.1
519.16388	2.3
529.21002	1.5
537.17773	3.9
639.20654	15.4
640.21405	3.9
657.21838	81.1
657.37885	8.6
658.22113	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	656.1469
Annotation	Unknow
Peak:m/z	Relative Intensity
58.41980	0.4
59.01239	0.5
61.98702	6.6
69.27032	3.0
69.27464	1.6
72.85188	0.4
107.01245	0.7
133.02835	2.1
149.02312	0.7
151.00317	2.8
175.03947	1.3
191.05487	2.4
199.03951	0.8
201.01813	0.6
206.02367	0.6
217.04955	0.5
227.03519	0.5
256.03745	2.0
269.04590	0.6
283.02603	0.7
284.03253	42.6
285.04010	64.8
286.04385	5.2
304.30176	0.6
304.97269	0.5
309.04037	0.7
327.04944	1.0
407.87927	0.5
415.19153	0.5
429.08786	0.8
447.09375	2.9
593.15082	100.0
594.15393	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	657.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81049	0.5
57.03329	2.3
59.01287	0.8
61.98689	0.5
62.54136	0.4
62.73546	0.4
63.02292	0.5
65.00194	5.4
73.83426	0.5
81.03357	0.6
81.88714	0.5
83.01243	2.5
85.02840	0.5
87.00754	0.6
93.03379	1.9
107.01267	8.1
107.01941	0.6
121.02850	0.5
123.04467	0.8
124.01580	0.8
125.02337	13.3
125.03231	0.7
134.03636	0.6
135.04471	0.6
136.25504	0.4
137.02374	1.0
151.00276	27.5
159.04520	0.8
160.05232	1.4
161.02315	3.8
161.03499	0.5
165.01903	2.1
167.03424	3.0
169.01306	0.6
172.05270	1.6
173.04568	0.8
173.06015	1.0
174.03235	0.7
175.00243	0.7
175.04005	1.8
177.01912	0.9
183.04491	1.1
184.05214	0.5
186.06749	1.0
187.04010	1.3
188.04759	1.2
189.02028	0.6
191.05545	7.3
193.01501	0.7
196.05180	0.9
197.06027	0.7
198.03241	0.7
199.04059	0.6
200.04637	2.4
202.06358	1.0
203.03444	0.5
210.06900	0.9
211.04021	1.2
213.05511	0.6
214.02777	0.7
215.03543	0.5
221.06139	0.6
224.04764	1.7
225.05450	1.0
226.02803	0.7
227.03467	1.4
228.04170	0.6
229.59525	0.6
238.06290	1.4
240.04288	3.1
241.05029	0.6
249.05630	1.0
251.07101	0.7
253.04987	1.3
255.03036	1.7
255.14040	0.7
256.03741	0.9
261.05725	1.4
262.06357	0.6
263.03589	1.2
264.04315	1.2
265.05072	1.9
266.05917	0.8
269.04639	0.8
272.03326	0.6
277.05139	1.3
278.05688	0.6
279.06580	0.7
280.03732	0.8
280.07373	0.6
281.04578	0.8
281.11868	0.6
283.02551	2.7
284.03241	13.7
285.03903	2.1
286.04364	0.6
291.06708	0.5
294.05380	1.2
299.12741	0.6
301.14511	0.5
305.04449	3.3
306.05408	1.3
307.06100	1.2
307.13483	1.5
308.03262	4.1
308.06674	0.7
309.04053	12.5
310.04327	1.1
322.04758	6.0
323.05469	2.9
323.13013	0.8
324.06244	0.6
325.14432	5.1
333.04111	1.3
334.04675	2.8
335.05643	2.1
343.15561	3.0
349.14383	0.7
351.05072	2.0
351.12360	4.5
352.05804	1.9
352.12711	0.8
354.03641	3.4
363.12051	0.6
367.15433	1.7
369.13422	7.9
370.13669	1.4
389.14005	0.9
391.15573	1.8
407.14859	1.2
409.16422	1.7
433.12723	12.7
434.13232	1.7
435.14532	0.9
448.09341	0.6
451.13959	24.7
452.14346	3.5
459.14136	0.8
477.15598	7.5
478.15741	0.8
495.16595	100.0
496.16974	16.0
537.17413	2.6
639.20764	1.3
657.21826	71.9
658.22144	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	655.261
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12209	0.7
55.01765	0.7
58.00471	1.6
59.01249	100.0
60.01567	0.6
61.98709	2.8
67.01755	1.3
69.03332	1.2
70.66564	0.7
71.01252	31.6
71.50733	0.8
72.99171	3.8
73.02819	0.8
75.00748	1.9
84.25977	0.7
85.02833	6.0
87.00742	3.8
89.02314	48.5
90.02641	0.7
93.03325	7.0
94.02860	0.8
96.95889	2.1
99.00710	0.7
101.02316	6.3
109.02838	0.9
113.02317	6.4
116.92790	1.2
119.03458	1.5
120.99558	2.2
122.02375	1.3
123.04441	0.7
125.02352	0.8
127.03924	0.8
128.03448	0.6
131.03406	8.7
132.03709	0.7
135.04430	2.6
137.02386	1.2
139.03928	0.8
149.02481	0.8
149.04460	10.1
149.05750	1.0
150.03087	0.8
151.00276	2.4
153.01897	0.9
155.10675	0.7
161.02446	0.7
161.06108	0.7
163.03851	1.1
165.01932	0.7
165.05484	1.5
173.04497	2.3
177.01909	1.8
177.05511	2.8
181.05000	0.7
183.02927	1.0
191.05533	15.0
191.07153	1.3
192.05792	1.0
195.06601	1.1
197.11737	4.2
199.09633	1.3
244.13585	0.6
249.83257	0.7
254.89328	0.6
284.03345	1.1
285.04080	1.1
311.07498	0.9
325.03613	2.7
353.08203	0.7
397.13654	2.4
415.14780	1.0
433.14749	0.7
449.14682	3.2
487.09470	2.1
493.18011	1.2
593.15857	0.7
655.24078	2.3
655.38867	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96362	0.2
55.01740	0.3
56.93959	0.2
57.03304	0.5
59.01246	4.1
61.98698	0.4
68.99684	0.4
69.03325	2.2
70.25018	0.4
70.25372	0.3
71.01254	2.3
71.04878	0.5
73.02813	0.3
78.95760	0.3
80.02558	0.8
81.03322	0.7
83.01270	0.4
83.04896	3.0
84.02027	0.4
85.02805	0.9
87.00752	0.6
89.02321	1.8
93.03335	0.5
95.01266	0.6
95.04895	0.5
97.02824	0.2
97.06381	0.2
98.06764	0.2
101.02322	2.7
107.04914	0.2
109.06466	0.7
111.08044	0.6
113.02344	1.1
119.03401	0.3
123.04414	0.9
125.05971	0.3
127.07539	0.2
130.01649	0.1
133.05006	0.2
135.04408	0.2
135.08044	0.7
143.03490	0.2
145.04990	0.3
147.11717	0.3
151.04021	0.2
153.09148	0.8
155.03398	1.4
158.54732	0.1
161.04456	1.0
163.11211	2.8
164.11378	0.1
165.09076	0.6
165.12759	3.3
166.13133	0.4
171.10191	1.3
173.04541	0.3
173.09671	0.2
179.05571	0.3
181.12267	3.5
182.12711	0.2
188.81506	0.2
191.05553	1.4
191.10725	5.4
192.11034	0.3
207.10240	1.1
209.11771	100.0
210.12111	6.3
211.13345	0.9
223.13130	0.2
225.07690	0.3
225.11224	1.3
227.12828	9.3
228.13185	0.5
229.82365	0.2
231.10312	0.2
235.08167	2.4
239.13014	0.2
247.13399	1.5
249.11240	0.2
251.12846	0.2
253.09251	6.3
254.09612	0.3
267.12451	0.2
284.03094	0.3
285.04031	0.4
383.22250	0.2
401.23282	0.6
419.24030	0.2
427.19556	0.4
445.20758	4.8
446.21481	0.7
461.20560	0.2
619.31256	0.6
637.31750	0.8
655.22760	0.3
655.32648	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02500	0.3
52.35941	0.3
53.16842	0.4
59.01031	0.7
59.01345	1.7
61.98772	0.6
63.02374	1.2
64.99972	0.4
65.00259	0.7
67.01841	0.4
68.99809	0.4
69.03392	0.4
78.95862	0.4
83.01350	0.7
83.04984	0.5
85.02908	0.8
87.00845	0.7
89.02380	0.4
93.02926	0.5
93.03467	1.0
96.61277	0.4
96.95992	0.6
101.02435	0.9
105.03456	0.4
107.01395	2.2
108.04510	0.5
109.02309	0.3
109.02975	1.0
113.02377	0.7
117.17997	0.3
121.02914	0.6
123.04546	0.5
130.08818	1.2
133.02850	5.1
134.03729	1.0
135.04553	1.5
136.07709	0.3
148.01680	0.5
149.02502	1.3
151.00278	3.7
156.06686	1.3
161.02457	0.7
167.06102	0.6
171.04602	0.5
173.04584	0.7
175.03928	1.8
177.01933	0.5
178.02538	0.4
179.03566	0.7
185.06172	0.4
187.03920	0.4
191.02931	0.4
191.05554	4.5
198.03223	0.4
199.03986	2.1
201.01888	0.8
207.10219	0.8
209.07303	0.6
209.11768	8.3
210.12209	0.6
211.03984	0.4
213.05615	0.5
215.03523	0.6
217.05080	0.9
219.09242	0.5
227.03485	1.2
227.12900	0.6
235.08832	0.8
236.09175	0.5
237.06760	0.5
237.10336	1.8
238.10683	1.0
239.03450	0.5
241.05037	0.9
243.02968	1.0
247.08708	2.4
248.09065	1.6
251.08054	0.6
253.09523	0.6
255.03043	0.8
256.03735	2.0
257.04550	0.8
257.12988	1.1
263.08246	0.9
264.08542	0.8
265.09845	4.7
266.10205	2.7
267.11536	0.5
277.09726	0.6
279.07648	0.4
284.03256	23.3
285.04022	100.0
286.04330	6.7
291.07730	2.7
292.08182	1.7
293.09390	0.4
295.10831	2.3
302.54849	0.4
321.08801	0.9
327.05002	0.5
339.09592	0.7
360.16901	0.5
361.17529	0.6
362.12274	0.4
371.14706	0.6
394.17203	0.4
404.15576	0.4
405.15979	0.5
422.17227	3.8
423.17459	3.3
436.18613	1.0
493.21042	0.5
579.22864	2.6
623.21594	3.0
637.18964	2.4
654.26526	3.3
655.19226	38.1
656.20038	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	655.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01235	2.3
60.58487	0.5
61.54921	0.5
61.98684	1.4
62.96144	0.4
63.02274	0.6
65.00208	0.6
67.01765	1.4
69.03312	0.7
70.02843	1.6
70.53477	1.7
71.93306	0.5
74.45529	0.5
78.95767	0.5
81.03326	0.6
83.01247	1.1
83.04320	0.5
85.02821	1.4
87.00729	1.9
87.18723	0.5
93.03329	7.5
96.00780	3.0
96.95894	0.8
101.02303	1.6
107.01271	1.7
111.04445	1.1
113.03469	1.0
114.01858	2.5
120.99474	0.6
121.02822	0.7
122.02376	0.7
125.02414	0.7
131.04492	0.9
132.01964	0.6
133.02823	4.0
134.03635	1.5
135.04393	1.6
136.05109	0.7
137.02255	0.5
139.99258	0.8
145.02814	1.1
149.02310	1.0
151.00293	2.7
151.03874	0.9
157.99796	0.6
159.04285	0.6
161.02431	0.9
173.04466	3.6
175.03922	1.6
177.01837	1.2
178.00902	0.6
178.06302	0.6
179.03380	1.4
179.07217	0.5
181.04976	0.5
183.04451	0.9
191.05533	9.5
193.03169	2.4
194.05742	1.2
199.03891	1.7
201.01860	0.8
209.06970	0.8
209.11754	2.1
211.04001	1.5
213.01822	0.8
227.03452	2.0
237.06702	1.2
241.04840	0.7
247.08612	0.7
255.02963	99.3
256.03467	11.4
265.09738	1.9
280.10873	0.6
281.04550	1.0
283.02466	91.3
284.03198	47.9
285.04016	65.4
286.04474	4.7
296.03275	2.1
297.03952	2.5
298.04507	0.6
299.05643	0.9
308.10489	4.3
311.05524	0.7
313.03540	5.8
314.04041	0.8
325.03430	3.1
327.05029	1.8
347.05655	1.2
360.13492	1.6
367.04492	1.4
379.08276	0.7
405.12030	1.3
423.07037	1.5
423.12759	0.7
435.10898	1.2
445.07770	6.9
445.18423	0.7
446.08521	100.0
447.09140	31.0
448.09650	3.4
461.11069	0.9
463.10287	1.4
475.10251	4.7
476.10693	1.2
489.09998	1.0
493.11288	4.0
493.17703	0.8
542.68536	0.6
637.24316	2.6
655.16815	11.2
655.24457	3.6
655.37396	1.0
656.17462	2.9
656.25165	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99098	0.5
59.01249	1.1
61.98695	1.5
63.02283	0.9
65.00219	1.2
67.01762	0.9
69.03336	0.7
72.99178	0.6
85.02807	0.9
87.00778	1.2
93.03329	6.6
96.95912	1.2
98.19774	1.4
101.02316	1.0
107.01273	1.6
111.04375	0.9
121.02853	0.7
122.60027	0.6
123.04433	0.7
125.02291	0.8
133.02849	4.0
135.04408	1.8
137.02325	1.3
149.02373	1.6
150.03159	0.9
151.00261	3.7
151.03937	0.8
161.02364	0.8
173.04471	3.4
175.03920	1.2
179.03381	1.5
183.04465	1.3
191.05537	6.8
194.05704	0.6
199.03938	1.8
209.11768	1.1
227.03387	1.5
234.85909	0.6
255.02963	100.0
256.03461	11.7
257.04016	0.7
269.04520	1.0
281.04462	1.4
283.02472	91.4
284.03201	47.7
284.06552	0.7
285.04013	65.3
286.04358	5.0
296.03210	2.3
297.03986	3.6
311.01804	0.8
313.03491	5.7
314.03769	0.7
325.03488	3.7
326.04184	0.8
327.05078	2.1
367.04477	1.0
435.10684	1.0
445.07742	7.8
446.08524	99.6
447.09125	32.5
447.15521	1.3
448.09558	2.2
449.14627	0.7
463.10526	1.2
475.10312	5.3
476.10205	1.0
493.11078	3.9
494.11765	0.8
637.25122	2.3
655.16254	14.6
655.35101	1.1
656.16534	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	654.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	15.1
61.98699	3.8
67.84389	1.6
68.99681	3.0
69.03316	3.0
69.98133	1.4
71.01257	10.4
71.51382	1.6
71.51781	2.1
72.64462	1.7
72.89250	1.4
72.99160	1.8
78.95779	1.8
81.03336	2.0
81.62778	1.5
82.14568	1.6
83.01246	2.0
83.04893	4.6
85.02824	6.4
87.00729	4.4
89.02319	5.7
93.03320	5.0
95.04925	1.8
101.02318	6.8
109.02802	3.0
109.06464	6.9
113.02334	5.2
113.05928	2.5
121.06525	2.0
125.09627	3.3
130.08638	10.3
133.02863	2.8
135.04449	3.7
135.08020	2.0
142.06514	3.0
152.99562	1.8
155.03447	2.0
156.06563	16.3
161.02354	3.8
163.07607	1.8
163.11198	5.3
165.05403	2.9
167.06027	4.7
171.10237	5.8
173.04483	3.6
179.03346	2.3
181.07565	3.5
185.11789	2.2
191.05505	18.7
192.05867	2.7
193.07625	3.8
195.09210	1.7
207.10194	18.2
208.10542	6.6
209.07127	5.0
209.11768	68.4
210.12103	10.8
211.13364	2.7
217.12172	2.0
219.09158	4.1
221.06982	1.7
225.11287	10.1
226.11664	5.0
227.12811	3.2
235.08667	8.9
237.06664	6.2
237.10252	20.3
238.10442	1.8
247.08733	21.3
247.13138	2.3
249.06926	2.2
249.10487	2.3
251.07985	2.3
253.09227	5.5
263.08270	15.5
263.12741	2.2
264.13089	2.5
265.09808	52.4
266.10141	4.2
284.03253	4.0
285.03986	12.6
291.07809	22.5
292.07996	2.1
308.10315	1.7
317.12869	2.8
360.17255	4.5
394.17731	4.8
400.22018	5.4
404.16080	7.0
417.23102	3.6
418.23285	3.7
422.17178	44.6
423.17557	5.3
464.18246	6.0
474.20444	3.1
492.21298	2.3
635.31586	2.4
636.31256	15.5
637.31775	3.3
654.25604	100.0
655.27142	19.5
655.41589	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	654.2667
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05256	0.7
57.03355	0.7
59.01258	5.7
61.98705	2.1
63.02273	1.7
66.08403	0.6
66.23074	0.7
68.99694	2.0
69.03341	1.5
69.17400	7.7
69.60625	0.6
71.01254	3.8
72.99185	0.9
73.02820	0.8
83.01256	1.0
83.04893	1.0
85.02827	2.4
87.00745	0.7
88.98700	1.2
89.02354	1.9
93.03335	2.1
94.02867	1.5
101.02331	1.4
107.01276	1.7
109.02843	0.8
113.02336	1.6
113.05990	1.2
115.38152	0.6
116.04976	1.1
119.04924	1.8
121.02866	0.7
122.02358	1.6
124.62252	0.6
130.08636	6.4
133.02837	4.6
135.04437	1.7
136.03952	0.8
137.02345	1.1
142.06512	1.0
142.54211	0.7
149.02359	2.0
150.59790	0.6
151.00256	5.1
155.03493	0.7
156.06583	8.0
156.07825	1.0
163.03902	1.5
163.07480	0.7
163.11148	1.1
166.06538	0.7
167.06049	2.9
173.04501	1.0
175.03915	1.8
179.03413	0.9
181.07642	2.3
188.03453	0.7
191.05525	7.4
193.07695	2.1
199.03915	2.3
203.62833	0.7
207.10323	0.8
209.07268	4.0
209.11774	21.2
211.03896	0.7
217.05009	1.5
217.07564	1.0
218.08243	0.7
219.09248	2.5
220.06316	1.7
221.07152	1.1
222.09248	0.7
223.08926	1.2
227.03525	1.3
227.12817	1.8
235.08754	6.9
237.06761	3.6
237.10271	12.9
238.10709	0.8
239.03455	0.8
239.08215	1.2
247.08728	19.1
247.13440	0.6
248.05795	1.5
248.09166	1.0
249.06601	1.1
249.10464	1.0
250.07463	1.5
251.08163	1.7
253.09302	1.1
255.03003	0.8
256.03766	1.8
257.04944	0.7
257.12894	1.0
261.06659	1.7
263.08240	11.3
265.09811	35.8
266.10153	2.9
279.07709	0.8
284.00061	0.8
284.03275	25.5
285.04031	100.0
291.07764	18.9
292.08087	1.9
295.10825	0.9
299.05530	4.0
300.05899	1.5
317.12851	2.2
322.95609	0.8
332.17584	0.8
360.16977	4.6
361.11844	1.0
376.16367	0.8
394.17645	3.4
404.16199	4.4
405.16394	0.8
422.17206	28.4
423.17596	3.5
464.18365	1.9
474.20151	2.7
492.21420	1.3
524.17438	0.7
579.22827	1.3
623.21313	1.5
636.31000	0.8
637.19330	2.4
654.26611	78.8
655.19116	40.8
655.29047	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	653.3759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	1.2
57.03333	1.2
57.03589	0.3
58.00465	2.3
59.01252	38.7
60.01600	0.5
61.98711	2.6
67.01751	0.2
68.99683	0.5
69.03316	2.2
71.01255	38.3
72.01578	0.9
72.99182	2.6
73.02821	6.3
75.00753	0.8
78.95784	0.9
81.03332	2.0
83.01260	4.5
83.04906	0.3
85.02827	8.3
85.99980	0.3
86.03173	0.3
87.00755	9.8
87.04417	0.3
89.02319	32.4
90.02672	0.6
91.03896	0.7
92.67049	0.2
93.03355	0.5
93.58995	0.2
95.01271	2.9
95.04903	0.2
97.02831	6.3
98.03130	0.3
99.00755	2.5
99.04379	0.3
101.02325	31.8
101.28996	0.2
102.02657	1.2
103.00253	0.4
103.03899	0.5
109.02834	0.8
111.00762	1.0
111.04407	1.5
112.01561	0.4
113.02335	15.1
114.02675	0.4
115.03936	0.5
119.03391	9.8
121.02839	0.7
123.00742	0.3
123.04427	0.4
124.01561	0.3
125.02338	13.3
126.02693	0.6
127.03910	0.6
129.01857	0.2
131.03421	1.5
133.04958	1.1
136.04979	0.2
137.02322	0.3
139.00302	0.2
139.03859	1.2
141.01830	0.6
143.03407	5.7
149.04451	0.9
152.99513	1.3
157.04990	0.3
161.04475	6.9
162.04813	0.3
167.03435	0.8
169.05009	0.5
171.02856	0.3
173.04546	0.2
179.03851	0.3
179.05530	6.6
180.05943	0.3
181.04942	0.3
185.04474	0.5
191.05513	0.7
199.06006	0.5
203.05466	0.5
209.11789	0.2
217.07120	0.9
219.05209	0.3
221.06592	2.1
225.30307	0.2
235.08203	14.3
236.08536	0.9
245.06596	1.0
246.54813	0.2
253.09229	3.2
253.21663	0.3
254.09712	0.3
254.21983	0.3
255.23273	100.0
256.23615	9.1
256.26358	0.3
259.08255	0.3
263.07730	1.5
264.08124	0.3
269.24808	0.7
277.09363	1.1
279.23297	0.4
287.07742	4.1
305.08755	4.0
323.09769	1.8
361.11377	0.6
363.00897	0.2
379.12466	1.0
397.13486	84.3
398.13815	7.7
399.14029	0.6
415.14557	31.5
416.14865	4.3
417.15076	1.1
468.26682	0.2
653.25824	0.4
653.36639	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.375
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29294	0.2
55.01757	1.0
57.03335	1.2
58.00474	2.2
59.01253	34.4
60.01583	0.4
61.98706	0.9
66.79231	0.2
67.01758	0.3
68.99689	0.7
69.03333	2.3
71.01254	36.8
71.51361	0.3
72.01587	0.8
72.99182	3.4
73.02816	5.5
75.00756	0.7
78.95776	5.3
81.03334	1.6
83.01258	4.3
83.01720	0.3
85.02827	8.4
85.99973	0.3
87.00752	9.4
87.04375	0.4
89.02319	31.0
90.02678	0.5
91.03882	0.8
93.03363	0.5
95.01255	2.5
95.04935	0.2
96.96848	1.0
97.02824	6.5
99.00748	2.5
99.04390	0.6
101.02325	30.1
102.02688	0.5
103.00250	0.3
103.03898	0.5
104.79973	0.2
109.02819	0.5
111.00761	0.6
111.04430	1.3
112.01551	0.3
113.02331	15.4
114.02673	0.3
115.03917	0.7
119.03387	10.4
121.02850	0.9
123.00764	0.4
123.04406	0.4
124.01585	0.3
125.02335	13.0
126.02669	0.5
127.03889	0.6
128.40782	0.2
131.03409	1.7
133.04947	0.9
137.02350	0.4
139.03891	0.9
141.01852	0.7
143.03413	6.0
143.04541	0.3
146.09566	0.2
149.02310	0.4
149.04465	1.1
151.03915	0.2
152.99486	7.7
161.04462	6.5
162.04829	0.2
167.03395	0.7
169.05009	0.6
171.00578	0.4
179.05524	6.4
180.05980	0.2
185.04448	0.7
191.05565	0.6
195.13840	0.2
199.06020	0.6
203.05588	0.6
217.07133	1.1
219.04967	0.3
221.06599	2.5
223.13390	0.4
233.06674	0.2
235.08194	13.8
236.08507	0.6
245.06670	0.7
253.09271	3.0
255.23267	100.0
256.23605	9.0
263.07797	1.5
269.24918	0.5
277.09238	0.9
279.23285	25.4
287.07806	3.0
293.21204	0.4
297.24460	0.2
305.08780	4.0
323.09802	1.5
359.12701	0.4
361.11362	0.5
374.10034	0.6
379.12308	1.2
392.11105	0.3
397.13480	80.0
398.08578	0.3
398.13849	8.0
415.14566	29.9
416.14963	2.6
433.23566	0.9
543.80579	0.2
610.31787	0.7
653.36523	0.3
654.34070	6.1
681.13165	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.266
Annotation	Cryptophycin 327
Peak:m/z	Relative Intensity
57.03323	1.2
59.01251	11.0
67.01777	7.0
67.57203	0.8
69.03321	2.1
71.01254	10.7
71.31161	0.9
72.99197	0.8
73.02814	2.6
81.03337	1.3
83.01258	1.2
83.04886	1.0
85.02812	4.1
86.93666	0.8
87.00764	0.9
89.02318	3.6
93.03332	36.0
93.03929	1.7
94.03661	1.0
101.02316	5.1
109.02838	1.9
111.00771	1.9
111.04396	6.7
113.02325	2.3
127.03901	1.1
131.03319	1.8
131.51642	0.7
134.28763	0.7
137.02345	6.3
155.03394	5.6
173.04465	100.0
174.04840	2.8
191.05544	3.4
199.00723	0.8
216.28870	0.9
222.55910	1.0
236.83008	0.8
256.65900	0.8
326.60287	0.8
372.83908	0.7
479.21289	49.6
480.21695	6.6
536.07928	0.9
653.26636	56.0
654.27020	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	653.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	100.0
61.98695	1.3
67.01754	1.7
68.99693	7.8
69.03333	3.3
71.01256	4.6
71.51115	2.3
71.51501	2.2
73.02798	2.8
78.95793	2.5
85.02829	2.1
87.00774	1.4
93.03349	3.6
95.01263	9.4
95.04890	1.8
97.02827	1.7
97.35488	1.4
101.02312	22.1
102.46289	1.3
109.78182	1.2
110.01368	1.3
113.02339	2.7
121.02910	1.5
122.15089	1.5
123.04391	26.3
135.04457	2.5
152.99541	1.5
155.03407	34.4
156.03705	1.6
161.04507	1.9
164.54506	1.4
173.97667	1.7
191.05525	12.1
192.40616	1.5
195.13924	2.0
203.14369	1.7
205.12260	4.9
207.10161	3.4
209.11795	7.9
223.13345	67.0
224.13644	3.9
224.54468	1.4
225.07716	8.9
225.11176	5.8
237.14882	4.3
243.89743	1.7
247.13383	5.1
265.14413	18.1
266.14716	2.7
325.16586	1.9
461.20041	1.8
653.31952	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	653.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48828	0.3
51.53427	0.3
59.01250	0.8
61.98689	0.5
63.01992	0.3
63.02261	1.6
65.00202	1.0
69.03342	0.3
70.98659	0.8
76.83891	0.3
78.95752	0.4
83.01259	0.9
85.02856	0.3
89.02325	0.3
93.03339	1.3
95.01289	0.4
97.02823	0.3
101.02360	0.4
105.03364	0.3
107.01260	2.7
109.02849	0.9
109.06487	0.5
111.04431	0.4
113.02207	0.4
121.02839	1.0
133.02859	4.7
134.03598	0.8
135.04445	0.4
147.04416	0.5
148.01628	0.3
149.02350	1.7
150.06744	0.4
150.99101	0.5
151.00266	3.9
169.01352	0.4
171.10249	0.3
173.04451	0.7
175.03912	2.1
175.67444	0.4
177.01894	0.5
185.11891	0.4
186.03377	0.3
187.03926	0.6
191.05527	3.7
195.04530	0.4
196.05113	0.3
198.03056	0.3
199.03951	2.6
201.01805	0.4
207.10229	1.1
209.11775	1.1
211.03925	1.2
212.04765	0.4
213.05437	0.7
215.03406	0.4
217.05055	1.0
225.11295	0.6
227.03432	1.1
229.05005	0.4
239.03348	0.5
241.04970	0.7
243.02931	0.6
255.02928	1.1
256.03705	3.4
256.31985	0.3
257.04312	0.6
267.02957	0.3
269.04538	0.9
283.02432	0.8
284.03253	35.6
285.04013	100.0
286.04370	8.0
297.03870	0.5
299.05261	0.4
327.05048	1.0
342.76312	0.3
399.21793	0.4
417.22272	0.7
447.08469	0.3
454.24533	0.3
474.60696	0.3
490.32269	0.3
620.50696	0.3
635.30725	0.7
636.46234	0.3
653.22351	64.6
653.30408	2.8
654.22675	10.4
654.33508	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3597
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	1.1
57.03323	0.8
58.00465	1.7
59.01251	42.1
61.98696	2.5
69.03322	1.9
71.01253	36.0
72.01578	0.5
72.99177	3.0
73.02821	4.7
75.00735	0.7
78.38541	0.3
78.95777	0.6
81.03329	1.4
81.80618	0.3
83.01265	3.2
85.02821	8.2
87.00237	0.5
87.00748	7.1
89.02317	33.1
90.02665	0.6
93.03339	0.7
95.01254	2.5
96.95874	0.4
97.02829	5.0
99.00755	2.2
99.04402	0.7
101.02321	28.0
102.02671	0.6
109.02882	0.4
111.00697	0.7
111.04401	0.6
113.02335	12.8
119.03391	10.6
121.02869	0.6
124.01517	0.4
125.02337	7.4
131.03401	1.7
133.04968	0.9
137.02365	0.7
139.03932	0.7
143.02386	0.5
143.03407	5.0
149.04480	0.9
152.99495	0.9
161.04463	5.5
167.03352	0.6
179.03955	0.4
179.05534	9.1
191.05522	1.5
192.13132	0.4
209.11749	0.5
217.07094	0.4
221.06628	2.6
222.07147	0.4
235.08189	8.3
245.06686	0.4
253.09296	3.1
253.21701	30.2
254.22014	2.7
263.07739	1.7
277.09415	0.8
287.07730	1.8
305.08884	1.9
323.09808	1.3
379.12317	0.5
397.13480	36.8
398.13846	2.9
402.18033	0.4
415.14554	100.0
416.14856	9.3
541.70026	0.5
591.22388	0.4
592.22803	0.4
651.14447	0.4
651.24347	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94081	0.3
58.00460	0.5
59.01255	7.2
68.52098	0.2
68.89581	0.2
69.03316	0.8
71.01256	2.3
71.23008	0.2
71.51947	0.4
72.99175	1.2
73.02814	1.1
74.45955	0.2
78.95795	0.4
83.01266	0.3
85.02824	3.0
87.00758	1.4
88.01054	0.3
89.02299	1.0
93.03328	0.6
97.02846	0.3
101.02314	1.2
103.00246	0.3
108.02084	0.4
109.02846	0.9
120.28657	0.3
121.02833	4.5
125.02382	0.3
135.04407	2.6
137.02322	0.3
145.02879	1.3
147.04407	0.6
149.05984	0.6
159.04416	1.9
163.03830	0.3
163.07719	0.3
174.03081	0.3
179.03372	2.0
191.05530	2.2
212.04741	0.4
219.82918	0.3
224.04703	0.4
238.06258	0.4
240.04285	1.3
253.04869	0.4
253.08643	0.9
254.05795	0.5
255.06512	1.2
263.07077	1.2
265.08719	0.6
266.05841	0.5
267.06638	1.4
267.10132	0.3
268.07367	2.5
269.08173	2.9
270.08960	1.7
271.09637	0.9
280.07388	1.2
280.57291	0.3
281.08167	10.0
282.08844	3.5
283.09720	7.1
284.10291	0.6
293.08185	0.8
294.08813	0.7
295.06537	0.2
295.09674	1.4
296.10449	1.2
297.11292	1.1
299.09213	2.6
299.12460	0.5
300.09833	1.5
301.10501	0.4
302.07959	1.0
307.08127	0.7
309.11411	0.6
310.08527	0.3
311.09229	1.7
311.12384	0.3
312.10052	1.4
313.10690	0.9
314.07913	1.2
314.11603	2.2
315.08780	0.3
315.12372	5.9
316.12695	0.6
325.10645	0.7
326.11517	3.9
327.12247	5.1
328.09238	0.5
328.12741	0.6
329.13919	3.7
340.09494	1.2
341.13791	3.1
342.10913	0.4
342.14572	0.4
343.11826	4.7
343.76669	0.3
344.12067	0.4
355.11844	5.6
356.12433	0.7
357.13434	1.2
369.12985	1.4
419.69931	0.3
429.15500	1.7
444.17899	0.4
445.15005	5.3
446.15530	0.8
457.15009	5.1
458.14670	0.5
460.17346	21.6
461.17786	2.8
472.17383	8.1
473.17719	1.3
475.19708	100.0
476.20050	16.2
487.19717	48.2
488.20023	7.1
492.06622	0.3
505.20917	2.6
506.21344	0.5
510.18314	0.4
525.57794	0.3
543.77905	0.3
622.22339	0.3
652.23773	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	2.2
66.68527	2.1
69.03313	6.5
70.02825	2.8
71.01241	3.0
71.50323	3.3
74.98009	1.9
83.94018	2.2
85.02819	40.4
86.05962	2.0
87.04378	3.9
96.04424	100.0
97.02814	6.6
109.02845	2.8
112.03937	2.3
128.03407	6.1
129.01878	12.1
141.01811	4.0
142.01341	17.3
151.21294	2.2
155.03207	2.6
158.04477	31.2
163.03883	3.2
191.05524	3.6
200.05530	3.4
202.03490	15.9
209.83434	2.4
218.06686	3.9
219.05013	4.0
262.05658	37.0
263.05783	3.6
282.28278	2.3
282.57974	2.3
499.14053	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	651.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54679	2.3
54.31934	2.2
59.01257	26.0
64.06197	2.1
67.81831	2.4
68.99695	21.6
69.03323	12.4
70.52325	5.6
70.77191	2.7
71.01254	16.5
78.38083	2.3
79.16647	2.3
85.02833	4.2
87.00766	11.8
89.02334	15.8
93.03329	10.1
94.99134	2.3
95.01262	2.6
95.04891	6.0
96.95875	2.7
97.02852	3.0
101.02328	40.3
107.04881	2.9
109.02858	2.7
113.02338	6.0
119.03398	7.5
119.04925	75.0
121.02877	13.0
123.04403	3.6
127.03865	9.5
135.04401	6.9
137.02351	2.9
137.05991	2.7
143.03488	2.6
147.04430	5.3
149.02359	4.4
151.03902	4.9
153.05415	3.8
163.03926	100.0
164.04218	2.7
165.05511	4.4
166.55927	2.3
171.77774	2.7
173.05946	2.8
175.02467	3.4
177.01816	3.0
177.05528	4.2
179.05463	4.1
181.04977	5.5
189.05638	3.7
191.03412	12.0
191.05452	4.5
191.07063	4.8
193.05112	4.9
195.06529	13.4
203.03532	4.5
205.05002	5.2
217.04922	2.6
221.04550	3.1
223.06079	15.0
235.05998	4.5
241.47310	2.9
247.52759	2.7
259.48929	2.4
267.05151	13.5
277.07159	3.4
293.47955	2.3
295.08447	3.1
305.10196	2.8
325.09253	9.5
385.79697	2.5
440.96335	2.8
455.15582	4.1
457.13754	5.2
487.14487	7.2
499.14575	72.1
500.14868	8.3
517.15717	27.0
529.15558	8.8
547.16718	6.8
553.16431	2.9
571.16864	3.8
589.17609	4.6
607.18799	37.2
608.19232	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	649.3956
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	5.5
61.98683	12.0
63.83262	3.4
68.92957	3.2
71.01227	8.1
71.50542	5.9
72.97935	3.7
73.26814	3.7
78.95752	11.1
81.03324	4.2
83.04864	9.9
90.03348	3.9
95.04891	9.6
97.06470	8.8
107.04903	6.7
125.05950	4.5
125.09614	15.0
127.07441	8.1
133.06448	4.8
135.08025	10.4
151.07527	4.3
151.11240	4.6
152.99458	10.2
153.09067	13.0
163.11154	13.7
165.12715	6.6
169.08519	4.8
171.10106	21.6
174.77063	3.5
180.09996	3.6
181.12378	4.1
185.11697	17.1
191.05489	13.9
191.10748	4.1
191.14316	4.9
197.11761	22.0
199.09532	5.5
201.11250	7.9
207.10182	12.4
209.11745	100.0
210.12018	6.3
225.11183	15.1
227.12737	6.2
243.12334	11.2
245.19101	10.2
255.23195	4.3
261.18436	4.4
279.19409	6.1
282.98877	3.8
287.16428	8.7
289.18069	25.0
305.14481	6.4
305.17612	69.4
306.18091	6.5
307.19144	56.4
308.19357	7.7
323.18539	16.8
325.20078	26.0
585.49030	4.2
613.37122	6.3
624.97162	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	649.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57423	2.1
59.01246	37.2
61.98701	12.0
67.01753	3.1
68.99686	3.2
69.03336	3.2
69.27967	2.4
71.01248	22.6
73.02820	6.2
78.95759	9.4
81.03328	7.2
83.04884	7.6
85.02808	18.6
87.00758	6.6
89.02329	5.3
93.03340	21.1
95.01272	2.8
95.04872	2.7
96.95872	3.5
97.02851	15.3
97.30676	2.3
101.02313	15.2
107.04886	3.9
109.02833	3.7
109.06470	77.8
111.04401	4.2
113.02341	5.1
113.16420	2.4
119.04890	3.7
121.02828	3.0
121.06403	3.6
123.04388	6.7
133.02840	3.5
134.03671	2.6
135.04437	17.1
135.08051	8.9
136.05092	3.2
137.02333	4.2
141.01668	3.8
142.02576	6.1
147.08150	3.1
152.99490	5.0
155.03435	5.1
161.02374	5.3
161.04445	3.3
161.09573	3.1
163.11214	34.4
171.10165	8.0
173.04436	11.2
173.05798	3.1
179.03412	9.6
181.12216	16.9
185.11710	4.1
191.05544	92.1
192.05861	8.7
199.09682	10.5
207.10204	100.0
208.10532	5.4
209.11757	3.3
225.11256	46.6
226.11766	3.1
243.12338	7.0
271.05710	2.4
283.02512	3.3
300.86893	2.7
392.64230	2.8
552.18573	3.0
605.40558	10.5
631.24548	10.1
649.33716	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	649.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74841	2.0
59.01249	20.3
61.98692	7.8
66.58919	2.4
66.85864	2.6
68.99683	3.1
69.03334	4.3
69.30289	12.1
69.30721	8.6
71.01250	16.3
72.99181	3.1
78.95793	6.0
81.03329	4.8
83.04896	5.6
84.56528	2.5
85.02839	10.9
87.00736	6.3
89.02325	4.4
93.03326	17.3
96.95901	11.9
97.02824	8.1
98.02383	3.7
100.21867	2.3
101.02325	6.4
107.04955	3.0
108.02061	3.0
109.02823	3.9
109.06485	55.9
111.04449	4.7
113.02320	2.7
116.92742	5.0
117.03352	4.6
119.04926	4.2
123.04418	2.7
127.03906	2.8
133.02850	4.8
135.04404	12.6
135.08044	4.1
137.02347	4.4
142.02615	4.3
145.02852	6.4
152.01018	3.3
152.99474	3.7
155.03381	4.3
161.02354	11.4
161.09644	2.8
163.03876	6.5
163.11185	28.0
169.21002	2.5
171.10208	3.4
173.04509	12.9
177.01755	2.7
179.03346	3.9
181.12259	12.0
185.11890	3.0
191.05542	100.0
192.05945	6.4
199.09760	4.1
207.10201	78.8
209.11658	3.5
210.73642	2.4
225.11261	30.6
232.67603	2.5
243.12363	3.7
255.03178	2.8
277.10156	2.4
283.09729	2.6
460.52267	3.1
543.04095	2.9
586.19604	6.5
587.19757	2.8
631.24860	5.8
649.30353	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	647.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83376	0.7
59.01249	7.7
61.28116	0.6
61.98693	2.8
63.78475	0.5
68.99681	7.6
69.03323	5.8
71.01250	4.8
78.95791	1.4
81.03327	2.2
83.01278	1.0
83.04874	0.7
85.02844	3.1
87.00766	2.5
89.02314	3.0
90.67383	0.5
93.03343	2.3
95.01302	0.6
97.06490	0.6
101.02315	10.3
101.99126	0.6
107.04954	0.7
109.02826	1.2
113.02329	1.5
119.03405	1.0
125.02319	6.2
125.09579	0.7
127.03843	1.0
135.04430	1.4
137.02357	1.0
146.03632	1.0
149.02290	1.0
149.06006	1.2
151.07497	1.1
153.01791	1.1
155.03415	0.7
157.04956	1.0
158.02435	0.5
158.03659	2.5
159.04420	4.8
159.08107	1.3
161.02313	0.9
171.10188	1.1
172.05212	11.9
173.04469	1.3
173.05974	6.9
174.03210	0.8
174.06630	1.0
175.03764	0.7
175.07445	0.7
183.04491	1.1
184.05203	1.4
186.06796	1.3
187.04057	6.6
187.07564	100.0
188.07901	6.6
189.05502	1.0
191.05540	11.1
195.06549	2.1
197.06110	0.9
197.11685	0.9
199.03891	1.1
199.65669	0.6
200.04744	3.9
200.08279	0.7
201.05527	7.6
201.09167	1.3
201.11272	1.2
202.06271	13.0
203.03413	0.7
203.06821	1.8
203.10721	1.1
204.04286	2.9
209.11768	2.3
211.07614	1.1
213.09142	12.6
214.06290	0.9
214.09435	1.0
215.07082	14.6
215.12796	4.6
216.07713	1.8
221.08127	1.3
227.03452	2.0
228.04225	1.9
229.08612	7.7
230.09256	1.3
231.06587	81.9
231.10106	27.6
232.06947	6.0
232.10541	2.6
243.39252	0.6
245.08212	0.6
249.14922	2.2
257.08157	11.5
258.08496	1.0
269.04547	1.0
269.08081	0.8
269.11795	1.6
275.09256	36.3
276.09579	3.5
298.97610	0.5
305.17505	1.3
313.10764	4.2
339.12222	3.5
371.11307	10.1
372.11575	0.7
383.15088	4.6
397.13400	1.3
409.12854	2.4
415.14249	3.2
423.14291	1.7
441.15433	1.2
453.15176	1.3
467.16821	1.1
485.18018	2.6
599.08978	0.6
603.20819	36.8
604.21027	6.5
647.23242	33.7
648.23584	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	649.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01776	1.1
57.03317	1.5
58.00460	1.3
59.01245	17.8
67.01765	1.7
68.99694	8.9
69.03324	3.7
70.79659	2.6
71.01250	24.3
72.99171	3.3
73.02824	2.0
75.00739	3.0
83.01278	1.8
85.02820	7.3
87.00747	93.5
89.02316	7.0
89.07395	0.9
93.03329	4.7
94.60172	1.2
95.01278	1.4
96.95893	4.8
97.02843	1.4
99.00761	2.7
101.02314	24.1
111.00753	4.2
113.02329	14.3
115.00255	50.9
119.03383	2.9
119.04897	2.2
121.02860	6.2
121.06483	2.8
123.04399	2.8
125.02343	2.9
127.00205	1.5
127.03937	3.2
129.01855	1.8
135.02782	1.1
135.04407	1.8
137.02303	2.5
137.05923	1.6
142.01392	3.5
143.04866	2.4
147.04491	1.5
149.02327	2.3
149.05960	1.4
151.03944	2.6
153.01883	1.2
153.05487	9.6
157.01303	1.4
159.04436	1.8
161.05965	2.7
163.03889	1.4
165.02026	1.4
165.05455	2.6
167.03424	4.0
171.04390	2.4
173.00816	2.5
173.06009	2.3
174.03171	1.2
175.02394	100.0
176.02748	2.9
177.05498	2.2
179.03448	1.6
179.05466	1.5
181.04984	3.8
187.03964	1.4
189.05470	3.7
191.03537	2.4
191.05527	6.8
193.05058	2.6
195.06555	1.7
203.06985	2.3
205.01358	1.1
205.04993	2.1
209.04498	1.7
217.04903	1.8
219.02890	1.3
221.08105	6.4
223.06068	1.3
225.03943	1.3
232.19621	1.2
233.08118	1.2
275.05743	2.4
277.07269	2.3
293.06696	5.0
349.24582	1.2
427.12329	1.2
437.10919	1.3
455.11850	6.8
457.13074	2.1
473.12988	90.7
474.13278	8.9
487.14557	3.8
531.13373	9.4
605.16748	1.4
649.16168	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	645.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92770	0.3
58.00467	0.4
59.01249	19.4
61.98709	2.3
66.66669	0.4
67.01766	0.6
68.99704	0.4
69.03343	0.5
69.57878	2.5
71.01254	4.7
71.04893	0.6
72.99150	0.4
73.02810	0.9
78.95764	0.5
80.02550	2.1
81.03329	2.8
83.01255	1.5
83.04896	23.6
84.02039	1.6
84.05247	0.5
85.02821	2.4
87.00746	1.7
89.02304	3.2
93.03337	2.6
95.04899	1.7
96.95879	0.6
97.02818	0.8
97.06456	1.0
99.04397	0.5
101.02328	5.1
107.04911	0.6
109.06478	4.0
111.04408	0.8
113.02315	2.1
119.03373	1.0
121.02822	0.4
123.04462	0.4
125.06017	0.7
125.09576	0.7
133.02859	0.5
135.04420	1.0
135.08060	7.3
137.02347	0.6
137.09631	2.6
141.75891	0.4
143.03380	0.5
143.07007	1.9
145.02789	0.4
145.04956	0.7
149.09636	0.5
153.05403	0.4
155.10632	0.8
161.02371	0.5
161.04454	1.5
163.07539	1.9
163.11185	2.3
165.05525	0.4
165.12747	1.0
171.10184	2.9
173.04462	1.9
179.03421	1.1
181.08620	100.0
182.08987	5.9
191.03775	0.6
191.05540	12.5
191.10661	0.7
192.05855	0.8
199.09694	10.9
199.13445	0.8
200.09996	0.6
201.11299	0.6
209.11769	76.0
210.12109	4.5
219.10219	1.2
221.58205	0.4
223.09729	0.5
225.11272	0.9
227.12846	11.6
228.13091	0.5
235.08139	3.4
237.11243	0.6
247.13422	0.9
253.09258	11.6
254.09567	0.5
284.03360	0.6
285.04034	1.0
299.05466	0.5
347.18668	0.5
347.22211	0.5
373.20148	0.9
391.21436	0.6
409.21948	0.4
417.17596	0.8
435.18427	1.0
445.20752	0.5
609.29065	1.5
627.30151	1.2
634.27612	0.4
645.29822	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23856	0.5
57.61693	0.5
58.65867	0.5
59.01252	1.1
67.01760	2.2
69.03316	0.7
70.82921	1.4
71.01267	2.3
78.95787	0.9
81.03391	0.7
85.02823	7.8
87.00779	2.9
91.05392	0.5
91.44072	0.5
93.03326	10.4
94.03628	0.5
99.04410	0.7
108.02063	2.8
109.02846	2.4
111.00759	0.8
111.04408	1.1
113.02348	0.7
121.02838	2.9
122.03619	0.9
124.01552	6.8
125.02322	3.1
126.03117	1.4
127.03903	2.1
132.02060	1.5
133.02864	2.8
134.03642	6.8
135.04410	100.0
136.04697	3.6
137.02353	2.7
139.03983	0.6
146.05769	0.6
150.03156	3.5
151.03925	11.4
152.04283	0.6
154.02559	0.5
160.01549	2.0
161.02325	4.0
162.03099	0.8
171.02895	0.7
173.04462	4.6
177.01915	1.0
178.02634	0.8
179.03415	20.9
180.04054	2.2
191.05533	88.1
192.05919	3.2
193.06194	0.6
194.02122	1.0
199.03957	0.6
213.05649	0.6
215.05525	0.8
225.09468	0.5
227.03543	0.5
283.13245	0.6
290.07840	1.3
301.14490	0.8
307.08203	5.0
308.08990	17.2
309.09177	0.8
311.22281	0.8
325.14209	0.7
331.19150	1.2
333.20419	1.5
343.15546	1.0
351.06961	3.1
352.07971	11.5
353.08502	1.0
391.22964	1.2
404.25412	0.5
406.14105	0.6
409.23779	8.2
410.24466	1.1
427.24911	2.3
435.21490	0.6
438.78122	0.6
453.22836	34.4
454.23029	5.3
471.23846	0.8
602.79358	0.5
645.29053	9.7
646.29541	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	645.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	1.2
57.14466	0.5
59.01260	1.5
60.99180	4.2
65.03831	1.0
67.01763	14.3
68.56963	0.5
69.03326	4.0
69.35137	4.3
71.01256	4.4
73.02830	0.7
78.95777	1.6
81.03326	3.6
83.04902	1.8
85.02822	1.5
87.00754	18.4
93.03336	100.0
94.03664	2.6
98.20589	0.9
99.00755	2.1
99.04395	1.7
109.02853	1.0
111.00731	0.5
111.04407	12.0
113.02320	1.1
115.03876	1.1
125.02341	0.8
129.01816	2.2
133.02823	1.3
134.03639	7.8
135.04428	15.4
136.04747	0.5
137.02306	1.2
150.06488	0.5
152.99489	0.9
155.03441	3.5
160.59622	0.5
161.38873	0.5
162.53040	0.4
168.10382	0.6
173.04474	51.4
174.04811	1.6
178.02605	1.4
179.03433	2.7
191.05580	6.1
215.14491	0.5
251.13998	0.6
293.21210	1.3
471.23834	4.9
472.24271	0.9
525.64972	0.6
642.01239	0.5
645.29114	75.6
646.29462	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	645.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	0.9
59.01240	2.5
60.99179	5.5
61.48366	0.8
61.98684	1.2
67.01404	1.3
67.01756	16.5
69.03310	4.2
71.01239	5.2
78.95775	7.4
80.86099	0.9
81.03334	3.0
83.04899	1.7
85.02818	1.8
87.00746	20.0
93.03334	100.0
94.03653	3.5
97.02809	0.9
99.00756	2.2
101.02296	1.0
109.02788	1.3
111.04413	12.5
113.02333	1.8
115.03864	1.6
116.14015	1.0
129.01813	1.7
133.02806	1.5
134.03627	9.7
135.04427	14.7
137.02313	1.2
152.99474	2.1
155.03468	2.3
172.82635	0.9
173.04468	45.8
174.04720	1.6
178.02625	1.8
179.03430	4.8
191.05550	6.4
191.07039	1.4
293.21332	1.1
327.89667	1.1
471.23898	4.9
471.34698	1.8
645.29071	79.1
646.29346	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	645.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89352	0.4
59.01256	1.9
61.98689	0.9
67.01736	1.2
71.01253	2.2
71.30527	0.6
71.30875	0.6
73.02843	0.4
78.95787	0.8
80.96857	0.3
85.02820	8.3
87.00733	2.3
93.03336	8.8
99.04350	0.4
108.02065	1.1
109.02853	1.9
111.00751	0.4
111.04408	1.7
121.02831	1.1
124.01562	2.6
125.02341	1.2
127.03901	2.6
132.02061	2.7
133.02834	2.6
134.03647	3.0
135.04413	41.6
136.04767	1.8
137.02324	0.9
142.17601	0.4
150.03151	2.0
151.03903	5.3
152.04216	0.5
152.99483	0.6
160.01604	3.0
161.02325	3.3
161.05981	0.5
171.02890	0.6
171.10155	0.5
173.04483	5.0
174.03162	1.5
177.01854	1.4
178.02687	0.7
179.03432	10.0
180.04134	0.9
186.58902	0.4
191.05537	100.0
192.05911	3.5
197.05968	0.4
209.11621	0.6
215.05573	1.4
225.09163	0.4
283.13449	1.6
301.14429	0.8
306.07303	0.4
307.08286	2.0
308.09018	6.1
309.11597	0.7
310.12137	0.7
311.22449	0.5
343.15421	0.4
351.07336	4.0
352.08063	3.3
353.08582	2.4
391.22836	0.5
409.23862	9.4
410.24149	1.0
427.24866	1.1
453.22784	18.1
454.23120	2.4
471.23904	0.6
645.29224	12.1
646.29388	2.1
666.19385	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	6.2
61.98704	3.6
67.01776	1.9
69.03344	0.9
70.12575	0.8
71.01264	2.8
76.43414	1.0
77.11798	1.0
78.95782	4.7
79.95657	1.0
81.03345	2.1
83.04917	5.0
84.02039	1.1
85.02822	4.1
87.60715	0.9
89.02299	1.4
92.83882	0.9
93.03349	8.5
95.01284	1.1
96.95892	2.4
101.02324	2.0
109.02826	2.0
111.00763	0.9
111.04417	1.5
113.02393	1.4
116.99640	0.9
117.03342	1.1
119.04928	1.0
121.02779	1.2
123.00752	1.4
124.01546	1.2
127.03948	1.4
133.02892	1.2
135.04413	3.3
135.08028	0.9
136.01614	1.5
137.02332	20.4
137.09685	0.9
143.04730	1.2
145.02850	4.6
147.04408	2.9
148.01578	2.0
149.02350	1.8
150.03156	2.9
151.00302	1.9
151.03893	4.0
152.99489	2.8
153.01785	1.7
153.05481	1.7
155.10695	1.3
158.03488	1.2
159.04437	1.2
161.02286	1.9
162.03105	3.9
163.03944	5.5
163.11194	0.9
164.01077	2.5
164.04616	1.1
165.01839	100.0
165.12680	1.1
166.02390	4.1
166.23419	1.0
171.10147	1.6
173.04459	7.2
174.03143	3.0
174.74417	0.8
175.03902	8.7
176.04706	2.2
177.01852	1.0
177.05440	5.2
179.03415	19.8
179.06967	1.6
180.04190	55.3
181.04887	6.0
181.08589	10.1
183.13838	1.0
188.04701	4.0
189.05475	4.5
190.06268	10.1
191.03481	3.4
191.05527	22.2
191.07097	7.0
192.04221	1.7
192.05846	1.3
193.04956	3.9
194.05771	12.9
195.02856	2.8
195.06552	83.6
196.06815	5.0
199.09637	1.2
203.07059	1.8
205.08679	10.2
206.05788	1.9
207.06581	9.9
208.07266	3.3
209.08073	3.3
209.11763	27.4
210.05272	10.5
210.11954	1.7
211.05887	1.1
211.13324	3.2
222.09087	1.5
223.05933	1.2
225.07632	63.2
226.07928	3.0
227.12810	10.5
228.13023	1.2
229.14339	1.7
241.01141	1.4
247.23405	1.0
253.09276	1.1
269.08585	1.1
285.04047	5.4
329.23389	4.0
375.14288	1.7
388.15070	2.0
389.16031	47.9
390.16385	5.5
471.25864	1.7
486.57449	1.0
507.16409	1.4
537.20953	1.0
564.19153	1.1
567.22296	49.6
568.22546	9.7
597.23743	2.1
615.24591	9.6
616.24359	1.1
642.92383	1.2
645.20422	1.4
645.29419	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	645.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06944	0.6
53.34618	0.7
55.01749	0.7
57.03309	0.8
59.01256	5.4
61.98701	5.3
69.03316	1.5
69.69536	3.0
71.01250	8.7
73.02828	3.0
78.95778	0.7
81.03333	1.6
83.01260	2.0
85.02818	7.4
87.00747	1.5
89.02308	1.1
93.03321	2.1
95.01244	2.6
97.02810	1.3
99.00739	1.4
101.02313	7.6
102.37568	0.6
108.02053	56.1
109.02847	33.6
110.03161	0.9
113.02314	2.7
123.00755	1.8
125.02343	0.8
127.03968	0.6
135.04398	0.7
137.02333	0.8
151.03868	1.3
152.01056	62.4
153.01848	21.4
154.02145	0.6
161.02454	0.6
163.03856	1.1
164.81218	0.7
165.01822	1.5
165.05466	0.8
181.04970	1.0
191.05560	7.7
195.06522	1.2
255.02916	2.8
256.03427	1.0
283.02429	2.2
284.03308	6.6
285.03683	1.5
297.04013	1.0
298.04593	1.0
299.05569	9.7
300.05997	1.6
315.07016	1.1
338.06406	0.8
347.17065	5.0
498.67606	0.8
516.40411	0.7
607.16620	6.9
608.16553	2.1
609.17029	2.1
645.23969	100.0
646.24530	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	644.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	4.3
61.98701	100.0
64.80604	0.4
65.67639	0.4
67.01740	0.5
68.99689	2.7
69.03335	1.0
70.99184	1.0
71.01264	3.1
73.02779	0.4
78.95792	0.9
85.02826	3.6
87.00748	0.7
89.02317	2.9
93.03322	2.7
96.95902	1.4
99.00732	0.4
101.02327	5.2
108.84370	0.4
109.02846	0.7
111.04422	0.8
113.02342	1.1
114.57684	0.3
116.92760	0.5
119.03419	1.3
121.02872	0.5
127.03910	0.7
133.02885	0.7
135.04443	1.8
137.02390	0.7
152.99545	0.9
161.02425	1.3
163.03937	0.7
173.04474	2.3
176.79417	0.4
179.03310	0.7
179.92978	0.4
181.04903	0.5
185.06068	0.4
191.05540	21.3
192.05830	3.4
197.11717	0.8
198.12386	0.5
209.11884	0.9
211.13411	1.7
229.15962	0.6
237.14905	2.5
245.15433	1.0
247.13411	1.2
265.14136	0.4
271.13589	0.5
273.15030	2.1
309.15018	0.5
317.14081	0.6
317.17682	3.7
341.17792	0.7
343.56134	0.5
349.16660	4.6
350.17175	0.6
357.20801	0.9
369.17209	1.4
387.18365	0.7
401.19827	1.5
419.20786	2.1
434.20978	0.4
451.21442	1.5
452.21573	4.5
452.26318	0.4
581.26013	20.0
582.26233	3.4
644.28680	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31205	0.1
57.03319	0.3
59.01243	1.1
60.99177	0.5
61.98703	0.7
62.43084	0.1
65.03821	0.1
67.01757	1.9
68.99646	0.1
69.03313	0.7
69.49368	1.0
69.49760	0.3
71.01231	1.2
72.99198	0.2
73.02855	0.3
75.00751	0.2
76.49644	0.1
78.95774	0.1
81.03342	0.6
83.01245	0.2
83.04900	0.5
84.84961	0.1
85.02820	5.8
85.28888	0.1
87.00743	2.9
87.69114	0.1
93.03331	12.8
94.03659	0.3
96.95885	0.7
96.96803	0.2
97.02825	0.2
98.19695	0.1
99.00732	0.2
99.04388	0.4
101.02335	0.2
105.65759	0.1
109.02168	0.2
109.02820	0.7
111.04406	1.8
113.02380	0.2
117.47222	0.1
121.02760	0.2
125.02364	0.2
127.03886	1.6
129.01848	0.2
133.02826	1.4
134.03612	0.2
135.04410	7.4
136.04774	0.3
137.02362	0.5
150.03117	0.2
155.03392	0.4
161.02345	3.8
165.01909	0.1
165.05495	0.1
171.02927	0.4
173.04456	4.4
174.04790	0.2
179.03409	6.9
180.03818	0.4
181.08487	0.2
191.05531	100.0
192.04095	0.2
192.05867	4.2
195.06638	0.2
289.14679	0.1
353.08765	13.8
354.09177	1.4
357.27185	0.1
368.03757	0.1
471.12964	0.8
598.21393	0.2
645.18152	9.5
646.18518	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13154	0.4
55.01763	0.5
55.95298	0.4
57.03309	0.4
58.00465	0.5
58.79960	0.4
59.01242	4.7
60.47227	0.3
60.99176	0.5
61.98703	1.8
64.06634	0.4
67.01768	1.1
69.03333	1.1
71.01247	4.7
71.04869	0.4
71.50524	0.4
72.99204	0.4
73.02816	1.1
78.95768	2.5
79.53165	0.3
79.95634	0.7
80.02550	1.0
80.96423	0.5
81.03350	1.6
83.01248	0.8
83.04891	4.6
84.02051	0.5
85.02819	9.6
85.03295	0.7
87.00756	3.1
89.02313	2.6
93.03330	9.3
93.38646	0.4
95.01224	0.4
95.04905	0.8
96.95881	9.7
96.96868	1.3
97.02814	0.6
97.06483	0.6
99.00753	0.6
99.04384	0.5
101.02334	2.4
109.02852	1.2
111.04395	1.7
113.02337	1.3
114.51059	0.4
119.03417	0.7
123.04445	0.4
125.02338	0.7
125.05914	0.5
125.09647	0.6
127.03915	1.4
134.03671	0.5
135.04402	1.4
135.08029	1.0
137.02342	0.5
145.05003	0.7
146.03596	0.7
151.00316	0.4
152.99472	2.8
153.09129	0.6
153.12747	0.5
155.03362	0.8
161.02365	0.7
161.04459	1.5
163.03831	0.6
163.11191	3.3
165.12715	1.9
169.12239	5.5
171.10172	2.0
173.04460	5.1
179.03427	0.4
179.06981	0.7
179.10683	0.9
181.08588	0.9
181.12274	0.7
191.05536	69.8
191.10637	1.2
192.05917	2.5
194.83017	0.4
197.11757	77.7
198.12080	4.7
199.13318	0.9
201.05725	0.6
201.11272	1.8
207.10345	0.6
209.11761	100.0
210.12094	6.5
211.03943	0.7
211.13443	0.6
213.05423	0.6
215.07140	0.8
223.07481	0.5
223.13403	1.0
223.35451	0.5
225.05505	0.8
225.11244	0.6
227.03415	0.6
227.07108	0.9
227.12827	14.1
235.08226	2.4
235.13416	1.2
239.03549	1.6
240.04089	0.5
241.01138	1.5
253.05074	0.8
253.09256	9.5
254.09422	0.5
267.06607	0.5
268.03656	1.9
269.04529	9.3
270.04840	0.9
302.67798	0.4
309.15240	0.4
315.05029	0.4
360.23550	0.5
371.22443	0.5
382.14142	1.5
389.23212	0.8
407.22095	2.6
425.23019	1.4
433.20679	2.5
445.20807	1.6
451.21237	16.6
452.21710	2.7
469.22186	0.7
555.18964	0.5
607.31323	0.8
611.21210	1.8
643.27698	7.4
644.28125	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	643.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	1.5
59.01250	36.9
61.98698	8.3
67.01743	1.2
68.99673	1.2
69.03342	2.4
69.29504	4.2
69.29931	5.1
70.29659	1.0
71.01255	9.9
72.99202	1.9
73.02828	3.6
78.95770	3.1
80.02561	1.9
80.96414	1.5
81.03311	7.0
83.01261	2.6
83.04893	29.5
84.02042	1.8
85.02820	11.2
87.00759	4.0
89.02312	9.3
93.03336	10.9
95.01325	1.0
95.04906	1.9
96.95872	14.3
96.96877	3.0
97.02820	6.5
97.06473	4.5
99.00759	3.0
99.04404	1.4
101.02324	10.1
107.04901	1.8
109.02867	2.4
109.06470	21.9
110.03669	2.3
111.00772	1.3
111.04423	2.8
113.02338	4.6
116.92775	2.5
117.06995	3.9
119.03374	2.2
119.04913	1.1
119.08534	1.2
121.02876	1.3
121.06503	2.4
123.04432	3.0
123.08040	1.4
125.02326	1.5
125.09620	3.1
127.03888	2.0
133.02837	1.8
133.06494	4.8
134.03635	1.3
135.04414	3.7
135.08057	28.6
136.05165	1.0
136.08424	2.2
137.02402	1.7
137.09625	4.2
142.02632	2.3
143.07045	4.8
149.05992	1.3
150.03133	2.3
151.00294	1.3
151.03937	1.4
151.07611	1.3
153.05495	1.5
153.09097	3.7
157.08652	1.3
158.73546	1.0
161.02373	1.1
161.04503	3.4
161.06017	1.1
161.09642	1.2
163.07558	3.6
163.11198	9.3
165.05576	1.3
165.12711	1.2
171.10201	1.7
173.04497	6.1
177.09145	1.3
179.03406	1.5
179.05525	2.0
179.07039	23.7
181.08617	100.0
181.12202	3.4
182.08955	2.5
187.03983	1.3
189.09140	2.0
191.05534	59.7
191.10617	1.7
192.05872	3.3
197.08113	11.4
197.09760	1.5
197.11737	5.9
199.09700	11.4
201.11261	1.7
203.07008	1.3
207.10197	53.8
208.10512	3.0
209.11768	42.3
210.12144	3.4
221.08182	1.6
221.55360	1.2
225.11267	22.3
227.12755	6.1
231.10263	1.5
235.08179	5.9
235.13213	1.5
247.13477	1.4
253.09261	20.6
254.09776	1.8
269.04523	1.7
283.13489	2.2
299.05576	1.2
327.19662	1.8
345.20721	1.3
352.07855	1.3
353.17679	1.6
371.18820	7.4
372.18826	1.3
389.19632	7.7
431.10327	1.0
433.17032	4.6
443.19257	3.8
451.13818	1.1
461.20438	7.5
499.15210	1.3
546.86346	1.2
581.25415	1.3
599.47064	1.3
607.27576	11.9
608.28143	2.0
625.28687	19.3
626.28864	4.0
632.35602	1.1
643.29919	33.3
643.40350	3.7
644.30945	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	643.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	1.7
59.01262	1.3
60.99173	5.3
61.98711	0.4
65.03825	0.9
67.01756	15.5
69.03320	4.5
69.40894	0.4
69.41295	1.9
71.01252	4.5
73.02822	0.4
78.76654	0.3
78.95784	0.8
81.03331	2.6
83.04891	2.3
85.02821	1.2
87.00748	18.9
88.01077	0.4
93.03330	100.0
94.03654	2.4
99.00769	1.9
99.04388	1.1
109.02842	1.1
111.04399	12.1
112.04735	0.4
113.02319	1.2
115.03901	0.6
121.02787	0.6
129.01845	2.0
133.02841	1.5
134.03622	7.0
135.04417	12.9
137.02348	1.5
139.03951	0.4
147.94965	0.3
155.03389	3.0
159.04390	0.3
162.61148	0.3
173.04462	46.4
174.04807	1.2
178.02565	1.8
179.03403	4.4
191.05534	4.3
192.55457	0.3
291.19592	1.7
297.14920	0.4
326.11578	0.5
337.91656	0.3
407.22266	0.4
411.02216	0.3
451.21310	0.4
469.22293	6.4
470.22607	0.8
571.42224	0.5
643.27533	63.5
644.27911	12.4
644.38940	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.276
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23431	0.5
59.01257	3.3
61.98705	7.8
67.01755	0.7
71.01241	2.5
73.02804	0.5
78.95763	0.6
79.95612	0.5
81.03330	1.1
83.04903	1.6
85.02829	7.6
87.00751	3.2
89.02316	0.7
93.03336	10.7
94.03685	0.5
96.95918	0.6
97.02875	0.5
97.06485	0.5
98.20570	1.1
99.04424	0.5
101.02339	1.5
107.04892	0.5
109.02850	1.3
109.06509	0.7
111.04399	3.6
113.02333	0.7
121.02883	0.5
123.04375	0.6
125.02402	0.6
127.03893	1.8
129.01857	0.6
133.02876	1.7
134.03627	16.9
135.04413	100.0
136.04741	3.3
137.02373	1.4
151.03934	0.5
152.99559	0.5
155.03413	2.1
161.02382	1.6
165.12721	0.5
173.04472	10.0
178.02661	0.9
179.03413	4.2
181.08594	0.9
191.05537	65.0
192.05904	3.3
197.11766	9.4
198.12114	0.6
199.13338	1.8
207.10158	0.9
209.11713	3.4
213.05585	0.6
223.07596	0.7
227.03491	0.6
227.12811	5.9
235.08313	0.7
239.03384	0.5
253.05000	0.9
253.09317	1.1
283.13364	1.0
284.42938	0.5
285.26898	0.4
289.18155	1.1
352.07956	0.9
353.08655	0.9
382.14035	0.6
407.22211	4.2
425.23349	18.9
426.23773	2.6
433.20416	0.6
451.21234	8.9
452.21341	1.1
463.21945	1.1
469.22205	1.7
643.27448	11.2
644.27869	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	643.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	1.5
59.01238	1.1
59.80086	0.9
60.99176	5.4
67.01768	13.7
69.03326	3.2
70.99728	1.4
71.00056	1.4
71.01250	3.8
81.03357	1.6
83.04900	1.3
85.02827	1.2
87.00753	15.7
91.95381	0.8
93.03336	100.0
94.03662	2.6
99.00759	2.1
109.02835	1.2
111.04409	11.0
129.01819	2.0
134.03639	5.7
135.04431	10.6
137.02379	1.5
155.03423	2.6
173.04469	52.3
174.04791	2.0
179.03387	2.2
191.05559	9.2
278.65100	0.9
291.19577	1.0
407.22165	1.1
425.23465	1.0
469.22202	4.9
590.53217	1.0
643.27557	68.4
644.28040	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	643.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89400	0.3
54.08330	0.3
57.03318	0.4
59.01252	1.5
60.99178	0.8
63.87654	0.3
67.01761	2.8
69.03321	1.0
71.01254	1.8
71.42886	0.4
81.03316	0.8
83.04894	0.8
85.02815	8.6
87.00742	4.6
93.03329	20.5
97.02866	0.4
99.00720	0.3
99.04404	0.7
105.03311	0.4
106.08845	0.3
108.02045	0.3
109.02834	1.6
111.04382	2.4
113.02333	0.3
114.27520	0.3
121.02841	0.4
124.01564	0.8
125.02349	0.3
127.03921	2.1
129.01859	0.4
132.02055	1.7
133.02870	2.3
134.03653	2.5
135.04410	15.9
136.04712	0.5
137.02313	1.1
150.03091	0.6
151.03894	2.3
155.03380	0.6
160.01561	3.1
161.02364	1.6
161.06052	0.3
162.02992	0.3
168.46739	0.3
171.02908	0.6
173.04462	7.9
174.03125	1.0
174.04704	0.4
177.01866	0.7
178.02678	0.7
179.03401	3.2
187.03967	0.3
191.05528	100.0
192.05869	3.8
199.03999	0.7
200.04546	0.4
209.06070	0.5
209.11848	0.3
215.05446	0.8
235.07715	0.3
270.69745	0.3
283.13550	0.4
291.19574	1.2
307.08273	0.5
308.08759	2.5
343.15277	0.4
351.07068	3.5
352.07944	1.6
353.08377	0.5
389.21161	0.6
407.22205	7.9
408.22583	1.3
425.23230	1.7
451.21231	15.8
452.21698	2.3
643.27533	16.4
644.27844	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	643.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17756	0.5
57.03316	1.2
59.01247	2.4
60.87795	0.5
60.99174	4.1
63.33876	0.4
64.07692	0.5
67.01762	12.0
69.03323	3.5
69.45193	4.7
70.10236	0.5
71.01247	3.9
73.70642	0.7
81.03339	2.3
83.04906	2.0
85.02825	7.7
87.00745	16.3
93.03333	81.3
94.03665	2.2
99.00784	1.8
99.04414	1.6
108.02013	0.8
109.02838	2.4
111.04405	11.0
113.02330	0.8
124.01546	1.8
127.03899	2.5
129.01852	1.9
132.02074	0.9
133.02853	3.6
134.03633	8.8
135.04414	56.6
136.04759	1.9
137.02316	2.0
139.03943	0.7
148.05237	0.6
150.03137	1.5
151.02815	0.5
151.03839	3.4
153.01823	0.7
155.03412	2.7
160.01587	1.3
161.02341	3.1
163.10854	0.6
173.04471	27.4
177.01846	1.5
178.02635	2.2
179.03426	12.9
180.03969	0.8
191.05534	84.3
192.05879	3.5
212.29456	0.8
215.05440	0.8
307.08191	2.2
308.08975	5.8
351.07224	3.9
352.07935	4.4
353.08786	2.0
407.22232	5.2
425.23322	1.7
451.21213	7.2
452.21796	1.3
469.22165	4.5
470.22330	1.1
643.27539	100.0
644.27948	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	643.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16613	0.6
57.03314	1.6
58.37299	0.7
59.01240	2.1
60.99171	4.9
65.01717	0.6
66.71896	0.6
66.76743	0.7
67.01759	13.2
69.03328	5.1
69.25904	5.8
71.01254	5.8
80.34494	0.6
80.95477	0.6
81.03325	2.5
83.04895	2.2
85.02821	7.8
87.00747	15.6
93.03332	91.3
94.03680	2.8
97.02816	1.0
98.20571	1.5
99.00764	1.6
99.04404	1.4
105.03363	0.8
108.02066	2.7
109.02850	4.0
111.04400	9.7
112.04750	0.8
113.02306	1.4
121.02847	2.2
122.03642	1.2
124.01535	6.2
125.02332	2.5
126.03101	1.5
127.03875	2.2
129.01837	1.7
132.02080	1.8
133.02847	8.3
134.03635	10.1
135.04410	91.6
136.04808	2.8
137.02390	3.0
139.03888	1.2
150.03165	3.8
151.03900	9.8
155.03394	2.7
160.01559	2.8
161.02359	5.0
162.03177	0.8
173.04466	33.7
174.04745	1.3
177.01833	3.7
178.02652	3.7
179.03409	21.5
180.04105	3.2
181.04959	0.8
189.05504	0.9
191.05531	100.0
192.05847	3.3
193.83098	0.6
215.05499	3.6
232.13187	0.6
290.08188	1.1
291.19565	1.8
307.08218	5.9
308.08948	16.0
351.07202	14.8
352.07996	13.2
353.08621	5.2
407.22122	4.5
425.23349	2.7
445.74210	0.7
451.15027	1.4
451.21237	23.6
452.21744	3.7
469.22299	1.9
523.16443	0.6
643.27539	67.5
644.27936	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	643.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	0.2
59.01252	1.1
61.98708	0.2
67.01778	0.6
69.03336	0.4
70.37402	0.2
70.37764	0.3
71.01255	0.9
73.02830	0.4
74.60098	0.1
81.03336	0.4
83.04900	0.4
85.02826	9.4
86.03168	0.3
87.00750	2.2
90.92138	0.1
93.03339	5.1
97.02865	0.1
98.20497	0.1
99.04427	0.5
109.02844	1.1
111.04404	1.5
113.02267	0.1
114.27876	0.1
121.02850	0.2
127.03911	2.4
129.01825	0.1
132.02081	1.4
133.02872	1.0
134.03650	1.0
135.04417	6.1
136.04759	0.2
137.02362	0.5
148.05205	0.6
151.04056	0.1
153.01825	0.2
155.03394	0.1
160.01587	1.2
161.02368	2.3
161.06004	0.5
162.03094	0.2
171.02922	0.6
173.04485	1.9
174.03113	0.3
175.03873	0.3
177.05556	0.3
178.02635	0.2
179.03419	0.5
189.03926	0.1
189.05531	0.4
191.05545	100.0
192.05894	4.1
194.02203	0.2
194.61986	0.1
217.08583	0.1
231.10286	0.3
251.62578	0.1
307.08282	0.1
308.09344	0.1
338.15210	0.4
353.08871	0.2
379.22662	0.3
407.22284	11.4
408.22647	1.6
425.23337	1.7
426.23553	0.3
451.21286	7.5
452.21658	1.1
469.22256	0.3
643.27563	5.4
644.27972	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32940	0.8
57.03313	1.2
59.01260	4.7
61.98700	9.8
67.01745	2.2
68.99673	1.0
69.03323	0.9
71.01234	2.2
71.03075	2.0
74.02348	0.9
78.95773	1.8
80.96380	0.9
81.03348	1.8
83.04929	1.0
85.02841	3.8
87.00754	1.5
93.03329	7.2
95.04921	1.0
96.95884	3.0
96.96834	1.1
97.02833	1.0
100.00299	1.6
101.02299	3.0
109.02831	5.5
111.04430	1.0
114.38900	0.8
121.02873	1.6
121.06519	0.9
122.02357	1.2
123.04376	1.0
124.01496	1.4
131.04913	0.9
133.02917	2.0
134.03647	1.4
135.04425	4.5
135.08115	1.2
136.01599	2.4
137.02348	25.1
147.04440	1.0
149.02383	1.8
150.03163	2.2
150.04381	1.1
151.00273	7.4
151.03944	5.0
152.00928	1.0
152.04639	1.4
155.03426	2.2
159.04437	1.5
161.02356	1.6
163.03882	1.2
164.01013	2.2
165.01846	100.0
165.05476	4.8
166.02611	17.3
167.03310	2.2
173.04530	5.5
175.03960	2.4
177.01869	2.5
177.05489	1.5
178.02591	1.4
178.99844	1.5
179.03419	28.1
179.07040	2.1
180.04199	56.1
181.04979	22.5
181.08662	2.9
182.05429	0.9
187.03999	2.4
191.05536	30.2
192.04163	1.2
192.05867	2.0
193.04990	1.2
194.05841	3.8
195.02864	3.8
195.06561	78.1
196.06900	3.2
197.08160	1.9
202.06247	1.4
205.04993	5.5
207.06505	1.1
209.11795	3.5
210.05276	11.5
220.07437	3.3
225.07637	54.3
226.07951	2.3
235.09653	0.9
237.10411	1.8
253.05077	1.1
255.40419	0.8
265.09879	2.1
266.09937	2.3
291.08118	1.1
292.08090	1.2
305.10962	1.4
353.08679	1.4
359.11298	2.1
366.10989	1.1
367.11172	1.6
371.11023	1.0
371.15198	1.2
387.10645	2.7
387.14899	6.6
388.15295	1.2
402.12939	2.3
403.13809	3.4
416.14709	2.0
417.15527	29.3
418.15866	2.9
449.13931	1.3
493.31989	0.9
565.08545	1.0
565.19220	3.0
577.20721	1.1
580.19885	1.8
595.21857	41.1
596.22308	6.7
599.20917	2.7
643.22369	11.3
643.37946	1.3
644.22552	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	643.2252
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24879	0.2
59.01249	1.3
61.98709	1.1
65.03806	0.3
67.01748	0.3
67.97791	0.2
69.03320	0.2
69.51372	0.7
69.51797	1.0
71.01250	0.9
72.62488	0.2
73.02839	0.4
78.95765	0.6
81.03335	0.4
85.02812	1.1
87.00772	0.6
89.02314	0.5
93.03347	1.7
95.01292	0.2
96.95879	1.0
101.02340	0.7
108.02048	0.9
109.02834	0.9
111.04391	0.4
111.19947	0.2
113.02357	0.4
119.01289	0.3
119.04887	0.3
123.04386	0.6
130.82857	0.2
133.02864	0.2
135.04407	0.9
136.01570	2.3
137.02342	100.0
137.09618	0.3
138.02695	4.0
150.03160	0.2
151.03928	0.3
152.99452	0.3
155.03358	0.5
155.10689	1.8
161.02341	0.7
165.05424	0.4
173.04523	1.2
175.03883	0.3
179.03525	1.2
181.08679	0.4
191.05530	8.2
195.06593	0.4
199.09706	0.9
241.01207	0.3
245.04575	0.8
299.07690	1.2
343.14075	1.1
353.08804	0.5
413.21655	0.3
419.11044	0.3
449.14630	0.7
463.16135	0.3
481.17123	24.4
482.17648	3.1
523.18225	0.9
583.20905	0.3
643.22272	1.3
643.30432	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.4032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28308	0.6
56.39021	0.6
57.03321	1.2
59.01239	1.8
61.98686	2.2
66.50546	0.6
66.62594	0.6
67.07924	0.6
69.03333	1.2
69.16031	5.4
69.16449	1.7
71.01237	1.5
74.02356	0.6
78.95767	1.7
83.04873	0.8
85.02820	1.0
88.98655	0.7
89.02312	0.7
93.03337	2.4
95.04883	1.1
97.06454	1.0
98.20676	1.2
99.12675	0.7
100.04944	0.6
104.80503	0.6
109.06455	0.8
111.04429	0.7
111.08030	21.9
127.07508	1.3
147.11647	1.4
149.09572	0.7
151.11185	2.8
152.99481	1.1
153.12689	1.0
161.02271	0.9
165.12729	2.0
167.10678	0.8
169.12251	5.9
181.12233	1.6
183.13773	1.1
191.05510	5.2
191.10518	0.7
193.12196	0.7
197.11748	73.6
198.12076	4.9
199.13356	3.1
209.11813	0.8
211.13339	10.6
212.13631	0.9
215.10480	2.2
217.08400	1.0
219.09958	47.9
220.10301	2.4
227.12894	1.1
231.09943	0.9
233.09218	1.1
233.11533	21.7
234.11916	1.2
251.11224	0.7
261.10999	0.8
263.20120	4.8
265.18060	1.8
273.18607	1.2
287.16287	1.4
291.19647	15.1
291.60815	0.8
292.19919	1.1
309.20688	100.0
310.21014	10.5
313.17795	2.7
331.18893	26.3
332.19183	2.5
347.52438	0.6
375.17728	3.9
376.17651	0.7
431.22720	1.6
445.24435	2.2
529.58954	0.7
543.31665	1.5
641.40009	14.4
642.40570	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	641.4033
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56980	0.7
57.03316	1.5
59.01253	1.4
61.98698	4.0
69.03322	1.4
69.67763	5.1
71.01256	1.5
78.95797	1.2
93.03341	1.3
95.04904	1.4
109.06451	1.4
111.08030	17.0
119.08564	0.9
122.05758	0.8
127.07572	1.1
137.09622	1.0
137.51398	0.8
147.11641	4.4
151.11180	1.9
152.99464	1.4
153.12746	2.4
165.12769	5.6
169.12233	7.9
173.04437	1.2
181.12231	1.1
183.13669	0.9
191.05556	3.9
197.11755	91.5
198.12097	6.3
199.13321	2.4
211.13358	8.2
215.10458	7.8
219.09953	5.3
225.11311	1.0
227.12900	1.7
233.11549	94.3
234.11914	5.5
259.09573	1.4
261.14407	1.1
263.20105	2.7
265.17978	1.7
273.18500	1.5
291.19650	16.4
292.19943	1.4
309.20700	100.0
310.21014	10.7
313.17847	2.5
331.18826	11.3
358.21625	0.8
431.22751	1.6
445.24374	4.1
446.23828	0.9
459.74161	0.9
499.25491	1.0
543.31897	1.5
641.40149	13.3
642.40308	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	641.224
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	2.1
61.98699	1.7
63.02272	1.1
65.00208	1.4
67.01765	0.3
69.03341	0.5
70.89344	0.6
70.89690	0.8
71.01247	3.7
72.99172	0.4
73.02814	0.5
75.00751	0.5
78.95808	0.9
79.95608	1.8
80.96404	2.6
83.01267	1.1
83.04906	0.8
85.02802	1.8
87.00764	1.0
89.02328	0.7
93.03347	3.0
94.97940	0.6
97.02863	0.7
97.06469	0.5
99.04399	0.4
101.02338	0.9
105.03329	0.4
107.01267	2.5
109.02858	1.0
109.06480	0.7
111.04404	0.6
113.02356	0.7
115.97005	0.4
121.02854	0.8
123.04411	1.0
125.02336	0.8
126.80112	0.4
127.03954	0.5
133.02837	4.4
134.03625	1.0
135.04408	1.2
135.07967	0.4
137.02299	0.5
149.02295	1.6
151.00276	4.0
152.99518	0.5
155.10612	0.4
161.02420	0.6
163.11234	0.7
164.98582	0.5
167.03450	0.7
171.04485	0.4
171.10188	0.9
173.04504	2.2
175.03873	1.9
177.01860	0.6
179.03368	0.6
181.08727	0.7
183.04585	0.4
185.06075	0.7
187.03960	0.6
191.05536	12.4
192.05838	0.5
195.04541	0.4
197.11784	2.4
198.03096	0.4
199.03911	1.9
200.04698	0.5
201.02020	0.5
207.10210	1.8
209.11807	1.0
211.03993	1.3
211.13319	1.0
213.05508	0.5
215.03624	0.4
215.07121	1.0
217.05029	1.1
223.13252	0.5
225.00708	1.6
225.11278	2.9
227.03464	1.3
235.08374	0.4
239.03484	0.8
241.04964	1.1
242.02007	0.4
253.09242	0.8
255.02966	1.1
256.03766	2.6
257.04114	0.3
271.06094	0.8
283.02496	0.5
283.13303	0.5
284.03262	37.2
285.04025	100.0
286.04370	8.4
286.07452	0.6
297.03998	0.6
313.18088	0.6
327.05145	0.8
341.62671	0.4
397.13345	0.5
415.14481	0.5
449.19818	0.7
471.15274	3.6
472.15543	0.5
492.36786	0.4
543.16986	0.5
544.14935	0.4
623.32678	0.4
641.22333	60.9
642.22620	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	641.224
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46484	0.1
59.01258	0.4
61.98706	0.8
63.02259	0.8
65.00169	0.7
69.26670	1.3
71.01266	0.4
78.95748	0.8
83.01279	0.5
83.04880	0.2
85.02840	0.4
87.00734	0.2
89.02342	0.2
93.03347	0.8
96.95893	5.7
96.96789	0.8
98.19784	0.3
101.02322	0.3
102.03751	0.1
107.01276	1.4
109.02869	0.2
111.04433	0.2
117.03342	1.9
121.02854	0.5
123.04395	0.2
125.02311	0.2
132.23912	0.1
135.04453	0.4
137.02347	0.2
148.01556	0.2
149.02325	0.8
149.99478	0.1
150.02951	0.1
151.00284	1.4
155.03423	0.2
158.03740	0.1
159.04424	0.7
161.02390	0.7
164.42085	0.1
169.06525	0.3
171.04446	0.3
171.10229	0.2
172.05159	0.2
173.04521	0.2
180.05753	0.2
181.06506	0.2
181.08737	0.2
183.04433	0.7
187.07600	0.2
191.05537	3.1
191.07150	0.3
192.05861	0.4
195.04466	0.2
195.10188	0.2
196.05281	0.3
197.06029	0.4
197.11826	0.3
199.03920	0.2
200.04651	0.2
201.05502	0.3
205.12730	0.1
207.10133	0.2
209.11761	0.3
211.03937	0.6
212.04610	0.3
224.04750	0.3
225.05565	0.9
225.11201	0.1
227.03476	0.5
239.03525	0.9
240.04228	1.1
241.05006	0.2
251.02974	0.1
253.09323	0.2
255.02942	0.4
256.03604	0.1
267.03009	0.3
268.03766	13.9
269.04535	100.0
270.04880	8.0
281.04541	0.2
283.02551	0.2
284.03546	0.2
291.06543	0.2
299.05740	0.2
311.05627	0.6
333.53815	0.2
358.63229	0.1
381.09921	0.2
446.08572	0.2
449.19565	0.4
529.09912	0.2
624.76294	0.1
641.22284	9.4
642.22803	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.2513
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16161	0.7
59.01254	5.0
61.98711	3.7
68.99696	2.9
69.03316	2.6
71.01247	3.6
71.50885	1.0
72.99171	0.8
78.54275	0.7
78.95805	3.7
80.96373	0.8
85.02806	2.0
87.00784	0.9
89.02304	2.0
93.03344	1.8
94.02876	0.8
99.04391	1.9
101.02316	2.1
116.07063	9.8
117.98822	0.6
119.03431	0.7
119.04893	0.9
122.02393	1.3
134.03629	0.7
134.05992	1.1
135.04395	2.2
142.04994	9.9
142.06511	1.4
152.99463	1.6
155.03416	0.8
165.52023	0.6
166.06564	1.4
167.06020	2.9
173.04559	1.7
179.03313	0.8
181.07651	3.1
188.03384	1.1
191.05554	11.9
192.05838	1.1
193.06052	0.8
193.07677	1.3
194.09700	0.9
209.07193	4.5
217.07646	1.4
219.09201	3.1
220.06268	1.9
221.07111	2.4
221.10732	1.6
233.07178	0.9
235.08699	7.3
237.06769	4.4
237.10304	15.6
238.10728	1.6
247.08763	24.4
248.05969	1.1
248.09021	1.4
249.06659	1.2
249.10275	1.2
250.07382	1.1
251.08243	1.3
261.06717	2.2
263.08246	13.1
264.08554	1.0
265.09824	45.6
266.10080	3.3
269.04349	1.1
284.03259	1.7
285.04022	2.5
289.10208	0.9
289.13364	0.9
290.91641	0.7
291.07776	24.7
292.08084	1.8
308.10440	0.8
317.12827	2.5
318.16373	1.1
336.17285	1.2
343.10989	0.9
346.15546	3.9
364.16800	1.9
380.16107	3.6
390.14725	7.0
391.14697	0.9
408.15665	43.3
409.15961	4.0
450.16663	3.2
460.18808	4.0
478.19623	2.1
640.25146	100.0
641.25513	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	639.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09248	0.2
50.27040	0.2
59.01252	0.4
61.98705	0.8
63.02267	1.2
65.00228	0.7
65.19765	0.2
69.03356	0.3
74.80073	0.2
78.95771	0.9
83.01292	0.2
85.02841	0.5
88.98695	0.7
93.03346	0.9
96.10185	0.2
101.02331	0.3
101.31301	0.2
107.01252	1.5
117.03344	2.5
121.02818	0.4
133.02885	0.8
134.03644	0.3
135.04419	0.9
149.02370	1.1
151.00294	1.3
152.99498	0.6
158.37178	0.2
159.04446	1.4
161.02345	1.2
169.06505	0.6
171.04317	0.3
173.04510	0.5
175.04010	0.2
179.03386	0.2
181.06593	0.5
183.04362	0.4
191.05533	2.9
196.05228	0.4
197.06018	0.6
199.03879	0.3
201.05550	0.6
207.09995	0.3
209.11887	0.2
211.03906	0.3
211.13329	0.5
213.05579	0.2
224.04662	0.4
225.05505	1.2
225.11272	0.4
227.03481	0.6
239.03511	0.6
240.04355	0.5
241.05019	0.4
255.02861	0.2
256.03687	0.6
267.02951	0.3
268.01495	0.2
268.03769	6.0
269.04547	100.0
270.04904	8.7
284.03253	3.6
285.04037	10.9
286.04254	0.9
311.05606	0.7
384.72250	0.2
429.08344	0.2
573.70404	0.2
580.87372	0.2
639.20746	10.8
639.30115	0.4
640.20898	2.3
654.23059	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.152
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49598	0.1
56.11244	0.2
59.01254	0.4
61.98705	100.0
65.00182	0.2
70.33289	0.6
85.02830	0.3
93.03354	0.4
94.00530	0.2
101.02357	0.2
107.01279	0.3
117.03344	0.4
149.02351	0.2
151.00276	0.4
159.04414	0.2
169.01332	0.2
191.05533	2.0
191.07141	0.2
192.05940	0.4
210.12260	0.2
231.76552	0.2
268.03769	3.4
269.04547	17.4
270.04840	1.5
384.44000	0.2
393.82349	0.2
413.09006	0.3
453.58197	0.2
577.15668	8.2
578.15900	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	639.193
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16261	0.1
57.03302	0.2
59.01246	2.0
61.98692	0.3
67.01751	0.5
69.03339	0.7
69.23427	1.2
69.23829	0.2
71.01253	1.5
72.99168	0.4
73.02822	0.5
78.95799	0.2
81.03329	0.3
83.04898	0.5
85.02825	10.3
86.03138	0.4
87.00753	2.1
89.02308	0.6
93.03330	3.6
95.01261	0.2
95.04891	0.3
99.00716	0.2
99.04380	0.5
101.02327	0.7
109.02843	0.8
109.16572	0.2
111.00797	0.2
111.04388	1.1
113.02333	0.4
119.04933	0.2
121.02815	0.2
125.02343	0.2
127.03904	2.5
135.04402	0.4
137.02280	0.2
138.08914	0.1
139.03900	0.3
143.03398	0.2
147.04428	0.2
153.05392	0.2
155.03372	0.3
155.10699	0.2
159.04413	0.6
161.02187	0.2
165.05513	0.1
171.02927	0.6
171.04346	0.1
173.04462	2.2
174.03136	0.5
174.04694	0.1
186.76135	0.2
187.03955	0.6
191.05537	100.0
192.05872	3.7
195.06508	0.3
199.03925	0.6
201.01808	0.3
202.02667	1.1
203.03319	0.3
209.04517	0.6
215.03358	0.2
217.04991	1.2
223.09628	0.2
227.03439	0.2
231.02881	0.2
231.06517	0.3
237.05508	0.1
246.01593	0.3
259.02454	0.4
260.03436	0.2
261.04037	0.4
275.05637	0.5
292.05905	0.2
295.06155	0.2
307.08414	0.2
355.44742	0.1
371.11234	0.8
387.14841	0.2
388.11789	0.2
389.12512	0.3
403.09244	0.1
403.13837	0.7
421.15018	0.3
433.11526	0.3
442.45120	0.1
477.19174	0.2
479.21695	0.2
607.16089	0.3
634.24982	0.2
638.38013	0.3
639.18542	1.2
639.38605	0.2
640.19299	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00473	1.8
58.22126	0.2
59.01249	40.2
59.07147	0.2
60.01602	0.4
60.72377	0.2
61.98707	1.1
68.99683	0.2
71.01251	28.1
72.01589	0.4
72.99180	2.0
75.00770	0.3
81.61153	0.2
85.02821	3.0
85.82177	0.2
87.00768	0.9
89.02313	56.8
90.02647	0.8
96.95874	0.3
101.02321	3.6
113.02324	5.3
119.03372	2.0
131.03391	12.7
141.68352	0.2
145.02849	1.8
145.41476	0.2
147.34409	0.2
149.04449	19.7
150.04820	0.4
173.04468	0.3
191.05582	1.2
196.05087	0.3
222.06795	0.4
224.04822	1.6
225.09064	0.3
227.10725	0.7
238.06281	0.9
239.10789	0.8
240.11250	0.2
241.03056	0.3
241.08635	1.1
250.06430	0.4
251.07149	0.7
252.04262	0.8
253.08768	0.4
254.09343	0.5
255.10223	5.0
256.10580	0.7
264.08005	0.3
265.08643	0.4
266.05759	1.5
267.10327	0.9
269.08740	0.3
269.11746	2.1
270.05429	0.3
270.12601	1.5
280.07419	0.3
281.08139	0.3
282.08926	0.5
283.09741	22.0
284.10092	1.6
294.08966	1.7
295.09769	3.1
296.07388	0.4
296.10403	2.3
297.11166	1.7
298.12000	2.6
309.11343	1.2
310.08389	0.7
310.12119	1.6
311.09238	51.6
312.05997	0.3
312.09583	5.8
325.10818	5.7
326.11557	37.8
327.11816	3.4
330.10931	0.3
341.13907	100.0
342.14240	9.5
444.24045	0.2
461.18155	0.5
551.15411	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01231	3.7
61.98695	2.2
69.03320	1.2
71.01249	3.1
72.99194	1.5
73.02817	1.1
83.01252	1.1
85.02821	1.5
87.00726	1.3
88.98684	1.2
89.02316	1.3
93.03363	2.2
96.95880	1.7
101.02327	2.7
115.00266	1.0
121.02814	1.1
121.62532	0.8
127.03934	0.9
132.56129	0.8
135.04329	1.2
137.02252	1.2
151.00278	1.4
153.76866	0.9
155.03455	1.2
161.02299	1.3
164.07085	2.0
173.04517	1.6
179.03448	1.0
191.05530	10.5
192.05873	1.2
195.06535	0.9
198.03122	2.0
201.01875	1.2
202.02629	2.0
214.02533	0.9
226.02646	5.8
242.02219	3.4
243.02939	8.4
255.02991	1.0
268.03833	1.6
270.01669	10.8
270.99835	0.7
271.02451	19.7
272.02753	1.3
282.05307	1.1
284.03271	1.6
285.04034	23.3
286.04340	2.1
299.01984	36.3
299.05301	2.1
300.02621	6.8
300.50812	0.9
312.02747	0.9
313.03522	31.8
314.04291	39.0
315.04892	11.0
327.05115	2.2
328.02423	1.2
328.05817	7.5
329.06662	83.8
330.06934	7.2
357.13409	1.1
369.05695	1.1
379.50162	0.9
462.07471	0.9
477.10672	1.1
496.63571	1.1
607.12738	1.1
622.15546	1.5
637.17688	100.0
638.18079	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	637.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69748	0.6
57.03318	1.1
59.01242	3.1
60.99176	4.9
61.43851	0.5
61.98685	0.8
63.55391	0.5
65.03827	0.5
67.01765	14.4
68.02094	0.5
68.99699	1.0
69.03329	4.5
71.01260	6.1
73.02831	0.7
78.95772	1.0
81.03339	3.6
83.04900	2.4
85.02828	5.6
87.00757	18.5
89.02313	0.5
93.03338	100.0
94.03685	3.7
98.19795	1.7
99.00776	1.1
99.04393	1.6
101.02327	2.3
105.03337	0.8
107.05006	0.5
108.02077	0.7
109.02837	1.9
110.65205	0.5
111.03642	0.8
111.04408	14.1
113.02336	1.3
115.03934	0.9
115.84206	0.5
121.02848	0.9
121.93490	0.6
124.01503	1.0
125.02316	0.7
127.03895	1.9
129.01843	1.3
132.02060	3.0
133.02859	8.0
134.03658	5.9
135.04425	17.4
136.04776	0.6
137.02361	3.7
139.03906	0.7
143.03410	0.9
151.03896	2.6
155.03419	3.5
160.01584	5.2
161.02277	1.6
171.00627	0.6
173.04478	44.4
174.03253	0.5
174.04785	2.0
177.01836	3.9
178.02660	6.2
179.03410	4.4
191.05544	60.0
192.05855	2.9
209.11813	0.9
211.13348	1.3
215.05566	1.5
225.07663	0.7
293.37903	0.5
307.08286	0.8
308.09006	3.6
309.14868	1.1
327.16101	1.2
351.07233	5.2
352.07968	3.4
353.08801	0.5
353.13785	1.3
371.15097	1.0
419.20523	0.9
426.11517	0.6
445.18643	10.9
446.19208	1.4
463.19958	1.2
563.21173	1.5
567.17169	0.6
637.24994	75.4
638.25354	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	637.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60180	0.5
59.01255	2.5
61.98697	1.4
67.91753	0.6
68.99686	0.7
69.03320	0.6
69.70612	0.5
71.01258	2.8
71.51364	0.7
73.02827	0.7
85.02819	2.7
87.00755	1.0
88.98685	1.2
89.02330	1.2
91.17674	0.6
93.03332	3.2
96.95876	1.6
101.02327	1.6
111.04377	0.9
116.92679	0.6
121.02853	0.7
127.03900	0.9
132.28093	0.6
133.02893	0.9
134.03680	0.6
135.04445	2.4
154.85394	0.5
161.02347	1.8
173.04468	2.1
177.01877	0.7
179.03403	1.6
184.42046	0.6
191.05539	23.5
192.05801	1.2
243.03008	0.7
264.23907	0.6
268.03604	1.3
271.02490	25.1
272.02856	1.8
277.43311	0.6
284.03210	0.8
285.03973	3.2
293.04776	0.7
296.03165	0.8
297.04056	1.0
299.01965	60.5
300.02423	4.8
313.03491	5.0
314.04315	80.6
315.04749	7.7
327.16122	0.7
329.06659	100.0
330.07004	8.9
360.32620	0.7
371.07736	1.8
390.58209	0.6
445.05548	7.2
445.18582	2.4
446.06015	0.9
593.31860	0.6
637.17688	39.2
638.17767	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	637.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	14.2
65.03821	1.7
65.35377	0.6
67.01764	1.3
68.99682	7.6
69.03324	10.2
69.32377	5.5
69.32790	1.5
71.01257	9.7
72.83357	0.6
72.99180	5.6
75.00759	0.8
83.01251	1.7
85.02810	3.8
87.00759	1.0
89.02312	9.1
91.01791	0.8
91.05385	0.7
93.03336	17.3
95.01269	0.8
95.04898	1.1
100.57335	0.8
101.01707	1.2
101.02320	18.7
106.04119	1.0
107.04899	2.6
113.02334	3.4
119.03430	2.7
119.04913	46.3
120.05258	2.4
121.02843	25.7
121.06467	9.6
122.03207	1.4
122.06799	0.9
127.03859	4.4
134.03613	1.5
135.04408	18.2
137.02339	1.0
145.06476	1.5
149.02342	2.5
151.03917	1.5
153.05472	11.7
153.52765	0.7
154.69702	0.8
163.02533	1.6
163.03908	33.0
164.04269	1.2
165.01831	2.9
165.05470	2.1
171.04446	0.9
173.05991	3.1
173.69476	0.7
179.03358	4.9
179.05597	0.9
181.04976	100.0
182.05322	5.0
191.05518	3.9
191.07079	2.0
195.66692	0.7
197.04489	10.5
205.08609	1.4
215.10043	0.7
249.07642	2.4
269.04520	0.7
309.09845	1.5
341.08765	9.6
361.09412	2.3
401.04648	0.8
411.12906	0.8
429.13992	19.1
430.14465	1.3
473.12979	31.6
474.13092	3.3
508.94391	0.8
593.18732	13.5
594.19366	2.4
611.99487	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.4162
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65480	1.9
51.18460	1.9
51.71691	1.7
57.03309	3.5
57.52737	1.7
58.21339	1.8
59.01243	4.4
59.81366	2.0
69.03327	4.3
71.50526	1.9
73.02823	2.7
78.95766	8.5
80.96416	2.9
83.04882	6.0
85.81786	1.9
95.04890	4.2
97.06446	2.5
99.08013	3.5
115.07534	2.6
121.02795	2.7
125.05981	2.0
125.09580	4.0
125.74647	2.0
127.07487	9.5
129.09103	3.2
137.09573	3.0
139.07538	2.1
141.09087	3.3
152.99438	6.4
153.09117	4.9
155.10675	20.7
163.11182	5.2
165.12723	10.6
167.10616	2.4
171.10182	18.1
181.12305	5.2
185.11766	20.3
191.05539	3.5
193.15802	2.0
197.11758	18.8
207.10162	3.1
207.48827	1.9
209.11780	60.8
210.12090	4.5
213.07610	3.8
215.83437	1.8
225.11540	2.2
236.10866	2.1
238.12042	4.8
245.19127	2.4
247.20676	6.9
289.18039	6.9
291.19662	53.8
292.19952	5.7
305.17422	3.3
307.19125	81.2
307.22656	4.1
308.19437	10.3
309.20706	100.0
310.21072	8.6
325.20190	68.0
326.20447	4.8
327.21744	41.9
328.22089	3.3
340.33981	1.9
414.58517	2.1
511.60342	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	635.4165
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78241	0.8
56.06010	0.9
57.03317	3.1
59.01254	3.4
61.98708	2.4
67.45145	0.8
69.03333	2.4
69.34251	5.0
69.34654	1.9
71.01276	2.2
73.02806	1.1
75.43105	0.6
78.95781	4.5
78.98500	0.9
79.95611	1.1
80.02563	1.3
80.96390	11.7
81.03336	1.6
83.04908	1.1
84.02027	0.8
85.02822	11.2
87.00767	1.1
93.03345	1.1
94.97982	2.2
95.04905	1.8
96.95918	1.4
97.02814	3.8
97.06466	2.9
98.19826	1.3
99.04401	1.1
109.02892	0.9
109.06487	1.0
116.92753	4.5
117.92771	1.5
122.97525	1.0
123.04399	1.9
123.08016	1.2
125.02330	0.9
125.09619	5.5
127.07538	1.0
127.11184	2.0
135.08063	2.3
137.09634	3.5
141.05492	2.6
148.99063	1.1
150.56418	0.8
152.98444	1.4
152.99512	4.0
153.09116	8.1
155.10660	1.1
163.11191	3.4
164.98531	2.3
165.09143	0.9
165.12781	0.8
171.10187	38.2
172.10490	2.5
175.11226	0.8
177.12750	1.7
181.12251	1.3
182.57558	0.8
183.13826	2.9
185.11742	4.2
191.05545	5.2
191.14345	4.5
193.12279	1.1
197.11832	2.6
201.11220	1.2
206.99644	0.9
207.10222	2.3
209.11757	6.4
211.13362	12.7
221.11710	1.9
225.00752	3.6
225.11253	2.3
227.18210	0.7
229.14423	8.6
239.12885	0.9
245.19055	8.4
264.46631	0.8
271.17020	1.3
276.12845	0.8
277.21762	2.8
289.18097	37.4
290.18427	2.4
291.19693	2.2
307.19138	62.9
308.19638	6.0
309.20734	1.3
325.20200	23.2
326.20572	2.1
327.21762	100.0
328.22116	9.3
445.29578	1.9
463.30746	0.9
577.26868	18.9
578.27356	4.9
599.39459	3.5
617.40570	5.0
635.22485	1.2
635.41583	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	634.3596
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	0.2
61.98700	100.0
66.42274	0.2
66.70860	0.2
71.30271	0.3
71.30600	0.2
78.95779	1.2
83.04884	0.3
93.03349	0.2
125.02381	0.2
128.59027	0.2
138.42838	0.2
151.00241	0.3
152.99493	0.8
163.11226	0.3
171.10242	0.5
191.05519	1.0
209.11751	1.7
210.12137	0.4
238.07471	0.4
255.23323	0.7
263.16669	0.3
277.21783	0.3
288.16843	0.2
289.18109	0.4
290.18250	0.3
291.19745	0.4
299.80142	0.2
305.17725	0.8
306.18051	0.6
307.19247	0.9
308.19632	0.5
309.20749	0.5
310.21152	0.4
323.18610	0.3
324.19293	0.3
327.21667	0.2
347.77066	0.2
401.13815	0.5
435.84344	0.2
472.35254	0.2
480.21667	0.3
616.91931	0.2
634.26678	1.1
634.77228	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44867	0.4
53.63051	0.4
59.01240	2.1
60.99178	1.0
61.98695	1.3
65.03809	0.4
67.01756	2.4
67.79160	0.4
69.03327	0.8
69.22240	4.4
71.01262	2.1
73.02836	0.6
78.39980	0.4
81.03345	0.9
81.09332	0.5
83.04906	0.8
83.44855	0.4
85.02820	6.3
87.00748	5.6
89.00580	0.5
89.02313	0.8
91.02116	2.0
93.03336	19.0
94.03677	0.7
95.01311	0.7
99.00785	0.7
101.02319	1.3
109.02866	0.7
111.04409	2.0
113.02339	0.7
118.95408	0.4
121.02808	0.5
127.03911	1.4
133.02843	1.8
134.11618	0.5
135.04420	20.2
135.74254	0.4
136.04773	1.3
137.02359	1.1
155.03433	1.0
161.02339	5.3
173.04478	7.6
173.05920	0.3
178.13301	0.6
179.03435	24.6
180.03763	1.2
181.03322	0.4
191.05544	100.0
192.05850	3.4
220.94716	0.5
226.49107	0.4
245.51187	0.5
289.98792	0.6
324.01648	0.5
335.07706	0.4
352.41541	0.5
353.08823	3.8
357.12405	0.5
384.44189	0.5
384.67261	0.5
461.10748	2.2
517.21991	0.5
591.17584	0.7
635.16132	58.9
636.06262	0.4
636.16461	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	633.4012
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34138	0.9
53.41186	0.9
54.68432	0.8
57.03308	1.6
59.01255	0.9
70.53221	3.0
71.01249	2.1
71.04870	1.6
81.03342	1.0
83.04902	3.5
84.02082	1.6
95.04900	1.9
97.02883	0.9
97.06461	1.8
109.06446	1.1
115.07564	1.8
117.02567	1.6
117.03355	21.2
119.04938	7.4
121.02847	1.0
123.04382	1.7
125.09598	4.6
127.07568	5.1
134.07367	0.9
135.08060	2.5
137.09612	2.0
139.07489	1.8
141.05476	3.0
145.02863	68.4
146.03218	2.4
149.06042	0.8
149.11023	0.9
153.09103	10.9
155.10703	1.8
163.03877	7.5
163.11206	5.0
165.12752	1.8
171.10201	10.7
174.26950	0.9
177.12859	1.5
178.09912	3.0
181.12267	1.8
185.11723	9.0
185.71027	1.1
191.10727	1.7
191.14299	4.9
197.11794	9.4
207.10310	2.3
207.50728	0.9
209.11772	47.6
210.12122	2.8
225.11214	2.8
237.11435	1.0
238.12009	2.5
245.19072	11.1
248.19766	0.9
256.12949	1.3
263.20160	1.4
265.79712	1.0
271.16992	1.5
279.19644	1.9
289.18103	37.9
290.18402	3.4
307.19141	100.0
308.19516	10.8
325.20197	78.0
326.20523	7.7
396.36633	1.0
461.28726	1.4
471.34863	4.2
475.81610	1.0
589.39349	2.2
597.37622	1.7
615.38403	4.0
633.38000	82.9
634.38409	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.4004
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40001	2.1
57.03315	4.8
59.01236	7.2
61.98702	4.6
62.98992	2.3
63.27995	2.2
69.03350	4.0
71.01254	4.2
71.04878	6.0
71.30964	4.0
78.95783	25.3
80.02528	3.7
81.03304	3.4
83.04875	2.9
84.02045	2.2
85.02818	2.9
95.01309	2.1
95.04861	3.4
97.02815	5.2
97.06458	4.2
107.04931	2.1
108.52551	2.3
109.06474	11.3
109.26988	2.1
121.02809	4.1
123.04390	4.2
125.09626	9.7
127.07479	2.9
141.05418	3.3
144.15952	2.5
151.00266	2.9
151.11208	3.0
152.99480	11.5
153.09100	9.7
153.12694	2.3
163.11166	10.3
169.12294	2.7
171.10188	17.6
181.12231	4.1
185.11819	10.6
191.05602	3.4
191.14299	6.9
197.11760	19.6
199.13382	3.3
207.10194	6.0
209.11790	29.6
211.13419	13.3
225.11339	4.9
238.07390	3.0
245.19064	16.2
246.19539	2.4
247.07930	5.3
253.21542	2.8
263.20267	2.3
263.56439	2.3
287.16479	3.2
289.18091	69.0
290.18381	6.0
291.19833	2.8
305.17529	22.4
307.19138	100.0
308.03250	2.5
308.19504	10.8
309.20697	3.0
310.94278	2.3
323.18488	12.5
325.20163	75.8
326.20438	6.9
327.22018	4.9
343.21213	3.7
401.13223	4.0
515.15533	15.6
515.65540	5.3
597.37262	2.7
615.38965	12.3
616.39789	4.5
633.27039	10.7
633.40344	6.2
633.76447	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	633.2554
Annotation	3-Hydroxyethylbacteriochlorophyllide a
Peak:m/z	Relative Intensity
57.03323	0.8
59.01255	4.2
60.99189	1.3
61.98702	1.2
67.01768	2.8
69.03345	1.3
71.01257	3.7
71.51006	0.5
71.51396	0.5
72.64479	0.4
72.96637	0.4
72.99178	0.4
73.02833	1.1
78.95808	0.5
81.03348	1.1
83.01281	0.6
83.04882	1.7
85.02824	13.6
86.03145	0.3
87.00749	6.3
88.98684	1.2
89.02336	1.3
93.03334	20.5
94.03671	0.7
95.01245	0.5
95.04900	0.8
96.95877	2.9
97.02831	0.5
97.06480	0.6
99.00764	0.9
99.04398	0.5
101.02346	1.3
109.02869	1.4
109.06464	0.4
111.00787	0.6
111.04385	3.9
113.02337	0.6
121.02875	0.6
127.03911	3.7
129.01836	0.8
133.02858	1.8
135.04381	2.1
135.08032	0.4
137.02333	1.0
137.05901	0.4
146.03621	0.7
153.09140	1.0
155.03436	1.5
159.04424	1.2
160.01585	0.4
161.02364	1.1
161.05968	0.5
165.54413	0.4
165.65561	0.4
167.07056	1.4
171.02911	0.8
171.10191	0.9
172.05206	2.3
173.04482	8.3
173.05893	0.6
174.03093	1.1
175.02443	0.6
177.01808	1.0
179.03448	0.6
181.05078	0.5
185.06006	1.3
187.03900	2.1
187.07510	0.7
188.04611	0.6
191.05537	100.0
192.05873	5.5
196.05254	0.5
197.05959	0.9
199.03947	1.0
199.07639	0.5
200.04802	0.8
207.10147	0.6
209.05980	1.2
209.11801	2.3
211.03949	0.5
212.04744	0.4
213.05606	1.8
213.09476	0.5
215.05438	0.7
221.71342	0.4
227.03491	1.1
227.12871	1.0
228.04059	0.6
229.12248	0.5
235.07780	0.4
237.09160	0.9
239.03476	0.7
255.02957	0.5
255.10236	3.6
255.13831	0.7
256.10565	0.4
257.04382	0.5
263.10751	1.2
267.06479	0.5
271.13419	1.3
273.11252	1.8
275.09149	0.5
283.13437	0.6
285.04211	0.7
285.11160	0.5
297.11340	0.6
299.09579	0.5
299.12924	1.4
310.12372	0.6
325.10645	0.6
326.11157	0.5
335.19928	0.5
343.11633	1.1
344.12643	0.8
351.07324	0.7
361.17981	1.5
371.11185	0.6
372.12195	0.6
379.19101	2.1
397.20239	3.6
398.20139	0.7
405.17017	0.7
411.10715	0.4
415.21225	1.6
423.18130	10.4
424.18411	1.5
441.19159	33.4
442.19507	4.2
449.14664	0.4
453.24701	1.0
459.20251	2.3
476.09576	0.8
499.97397	0.5
633.25244	19.5
634.25769	4.1
634.35358	0.6
661.84503	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13094	0.6
57.03347	1.1
59.01258	4.6
60.99203	1.1
61.98726	0.7
67.01762	4.0
69.03373	1.4
70.32743	0.5
71.01257	4.7
71.77226	0.5
75.31944	0.5
78.95792	0.8
81.03344	0.9
85.02830	7.7
85.03286	0.5
87.00746	5.4
88.98707	1.2
89.02354	1.7
93.03333	24.6
94.03677	0.6
98.19794	1.9
99.00782	0.5
101.02361	1.7
105.03392	1.1
107.04903	0.5
108.02071	2.2
109.02824	3.8
111.00777	1.2
111.04370	3.2
113.02332	0.9
121.02866	2.0
122.03657	0.8
123.04430	0.5
124.01539	4.4
125.02332	2.9
125.09624	0.7
126.03135	0.8
127.03927	2.7
129.01779	0.6
130.27744	0.6
132.02052	3.2
133.02853	9.2
134.03682	5.6
135.04417	73.0
136.04791	1.8
137.02353	3.7
139.03949	0.6
149.02370	0.7
150.03152	3.2
151.03917	8.9
155.03419	1.6
159.04411	0.9
160.01566	4.1
161.02367	4.5
162.03127	0.7
163.03970	0.6
171.02934	0.6
171.10239	0.5
172.05182	0.7
173.04466	10.4
174.03091	1.4
174.04688	0.6
176.04707	0.5
177.01842	4.2
178.02676	2.5
179.03419	15.3
180.04031	1.6
181.04973	0.5
181.12407	0.4
182.45824	0.4
183.10260	0.7
187.03891	0.7
189.05617	0.6
191.05545	100.0
192.05948	3.5
197.11824	0.5
199.03960	0.6
200.04678	0.6
209.11708	1.3
215.05551	4.9
227.03404	0.5
229.01447	0.5
255.10153	0.9
273.11255	0.5
275.09091	0.6
281.17477	0.8
290.07648	0.7
291.19553	1.8
293.21124	1.1
299.12549	0.7
301.13968	0.5
307.08255	2.8
308.05838	0.7
308.09045	10.1
309.20746	5.1
310.72943	0.5
315.12280	1.2
327.12042	0.5
328.38678	0.5
333.20621	0.5
343.11523	1.4
351.03076	1.0
351.07181	16.9
352.07941	6.6
353.08380	2.1
369.20410	0.6
379.18829	0.8
397.20166	5.4
411.23605	0.8
415.21011	1.6
423.18051	5.6
424.18054	1.0
441.19147	23.9
442.19464	3.3
459.20251	0.6
471.25714	0.6
633.24579	16.5
634.24969	4.3
641.13342	0.5
651.24036	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83414	0.4
59.01255	2.0
67.01750	0.8
69.03318	0.5
71.01223	1.7
81.03313	0.8
83.04883	0.3
85.02821	10.7
86.03066	0.3
87.00754	2.4
89.59195	0.3
92.47955	0.3
93.03338	7.0
93.03912	0.4
101.02320	0.6
108.02037	0.6
109.02857	1.8
111.04404	1.7
121.02849	0.8
124.01538	1.1
125.02319	0.7
125.09638	0.3
127.03899	2.8
132.02063	3.9
133.02861	4.1
134.03659	1.8
135.04414	21.3
136.04790	1.0
137.02338	1.2
146.03632	0.4
150.03123	1.0
150.83485	0.3
151.03888	2.0
155.03345	0.5
159.04393	0.5
160.01561	6.2
161.02368	4.5
161.60101	0.3
171.02884	0.7
171.10292	0.4
172.05202	0.9
173.04486	4.1
173.05870	0.7
174.03122	2.0
177.01839	1.9
178.02649	0.9
179.03398	4.3
187.03978	0.8
187.07520	0.4
191.05537	100.0
192.05908	3.1
197.06059	0.4
199.03987	0.5
200.04588	0.6
211.13210	0.4
213.05545	0.8
215.05531	0.8
254.09216	0.4
255.10281	1.3
271.13388	0.5
273.11353	0.7
279.16122	0.6
281.17538	1.3
299.09314	0.4
299.12930	0.5
307.08185	1.0
308.08841	2.1
315.12396	1.1
343.12021	0.8
351.07147	4.5
352.07996	2.0
353.08792	1.4
361.18140	0.5
372.12051	0.7
379.19144	1.1
397.20181	6.5
398.20526	1.1
415.21011	1.9
423.18045	2.9
424.18372	0.5
441.19156	19.3
442.19443	3.4
459.20386	0.8
633.25262	8.6
633.34760	0.5
634.25995	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	633.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89761	0.6
57.03308	0.8
59.01247	13.9
62.82516	0.5
65.03811	0.6
67.01745	1.5
68.99689	3.1
69.03336	4.5
70.65717	1.4
70.74971	0.4
71.01254	19.3
72.99174	1.6
73.02809	1.4
78.95771	4.0
83.01265	0.9
84.97225	0.5
85.02820	2.7
87.00749	28.3
89.02315	5.4
93.03333	3.2
95.04935	0.6
96.95892	8.8
96.96832	6.3
97.02837	1.5
99.00779	1.6
101.02325	9.7
107.04835	0.5
107.58162	0.5
111.00791	0.6
111.04405	0.5
112.98704	1.2
113.02333	4.7
115.00255	46.6
116.00625	1.0
119.03375	1.7
119.04952	0.6
121.02832	3.4
121.06532	0.8
123.04398	0.6
127.00257	1.0
127.03909	10.0
133.01381	2.6
135.04420	1.5
137.02327	1.0
138.25061	0.5
139.00359	0.6
149.02374	1.6
149.05989	2.0
151.03934	1.0
153.05475	7.5
155.91713	0.5
161.04504	0.7
173.05995	0.8
175.02394	100.0
176.02724	3.3
179.05542	1.1
181.04935	5.1
191.05582	3.0
192.05907	0.6
203.07341	0.5
210.15796	0.5
217.05206	0.5
224.82930	0.6
225.04068	3.2
245.04649	0.6
258.84851	0.5
264.58984	0.5
290.91510	0.8
291.10944	4.3
316.20322	0.6
365.74600	0.7
457.13501	58.2
458.13843	6.0
485.16730	1.4
495.15240	0.7
515.14069	1.3
534.76605	0.5
535.16937	3.4
538.44977	0.6
589.18408	0.6
633.16687	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	631.3844
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	3.2
59.01236	2.9
61.98697	4.8
64.40073	2.1
70.03006	5.0
70.03420	7.9
71.01243	2.8
78.95788	6.5
81.03359	2.6
83.04903	4.7
97.06478	3.8
107.04940	7.6
109.06458	3.8
123.04431	2.4
125.06038	2.7
125.09595	14.1
127.07500	4.6
135.08080	6.8
152.99521	4.2
153.09142	10.6
163.11186	6.0
181.12219	3.0
183.31845	2.4
185.11806	13.2
191.05504	8.9
191.10716	3.7
197.11781	15.2
198.57115	2.4
205.37822	2.2
207.10265	5.4
209.11771	76.2
210.12051	7.1
224.52428	2.5
225.11356	7.3
227.12788	3.2
261.18503	3.6
263.06537	2.5
286.67343	2.6
287.16620	7.7
289.18085	4.3
302.74841	2.3
305.17578	100.0
306.17859	7.0
307.19080	14.5
308.19220	3.0
323.18579	49.8
324.18951	2.6
325.20328	13.0
425.26880	3.4
499.30688	3.0
595.36401	5.6
613.37445	20.1
631.38330	12.2
655.22015	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	633.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	15.7
67.01758	2.0
68.99690	3.4
69.03326	4.6
69.68127	2.5
69.68534	1.2
71.01250	16.5
72.99169	1.1
73.02818	1.1
85.02837	2.4
87.00748	39.4
89.02335	1.4
91.02524	0.6
93.03330	3.4
98.19755	0.8
99.00734	1.0
101.02325	6.4
112.98653	1.0
113.02335	2.9
115.00253	51.4
116.00546	0.7
121.02835	3.3
121.06452	1.3
127.03917	8.2
147.04430	0.6
149.02344	1.0
149.06023	1.5
153.05475	6.7
157.01321	0.8
175.02397	100.0
176.02637	3.5
181.04964	5.7
197.68610	0.6
219.29402	0.7
225.03940	3.4
244.36684	0.6
277.06900	0.6
457.13510	63.7
458.13876	7.4
485.16989	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.3854
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35603	1.8
55.45013	1.8
57.03297	2.2
59.01248	4.4
71.01252	2.6
78.95777	4.5
79.95589	2.1
80.02571	2.7
80.96387	6.8
81.03352	2.9
83.04886	9.9
91.32907	1.9
93.03316	3.7
95.04910	3.2
97.02812	2.2
97.06490	3.7
107.04893	6.3
109.06464	3.5
123.08039	3.6
125.05980	4.3
125.09620	10.6
125.26368	1.7
133.02786	2.1
135.04401	5.3
135.08057	7.0
141.05461	3.2
141.09018	1.8
151.11217	3.1
153.09094	16.4
161.02350	3.0
163.11208	15.0
165.12787	4.6
171.10173	15.3
173.04475	6.5
178.09914	3.4
179.03410	4.0
181.12234	3.5
185.11729	9.6
189.09161	1.8
191.05515	8.7
191.10721	4.4
191.14293	5.1
197.11734	12.1
207.10199	8.5
209.11780	81.6
210.12067	4.4
217.15854	2.3
218.90179	1.9
225.11357	11.6
236.10558	3.5
245.19063	14.8
261.18536	4.1
279.19598	3.8
287.16498	6.9
289.14761	3.0
289.18076	62.7
290.18369	3.9
305.17584	100.0
306.17892	8.2
307.19162	79.1
307.22116	1.8
308.19455	5.2
323.18643	26.7
324.18896	2.3
325.20184	27.8
353.08588	3.1
429.92578	2.0
463.71677	2.1
595.36609	3.4
631.25415	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	631.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73234	0.9
57.03316	1.9
58.00463	1.4
59.01252	14.3
61.98710	6.3
67.01765	2.1
69.03329	3.2
70.37412	3.1
71.01253	9.2
73.02823	5.4
78.95768	2.1
81.03329	4.1
83.04895	4.0
84.02035	1.6
84.41286	1.0
85.02831	7.9
85.45695	1.0
87.00757	3.6
89.02335	4.8
93.03341	8.4
93.84121	0.9
95.01263	2.0
95.04939	1.3
96.95895	4.2
97.02811	4.9
101.02341	5.6
109.02860	2.0
109.06470	38.3
110.06823	1.5
111.00778	1.2
111.04439	1.9
113.02287	2.2
121.02840	1.4
121.06465	2.6
123.04422	2.5
123.08060	1.2
125.05970	2.1
125.09608	3.5
127.03848	1.5
127.11205	2.0
135.04419	3.5
135.08023	5.8
137.02322	1.8
137.09624	2.8
142.02650	2.9
149.02322	1.6
149.04488	1.4
151.07542	1.1
155.03392	1.9
155.10687	3.2
161.09587	1.9
163.07539	1.1
163.11201	17.0
164.11609	1.9
165.05547	1.7
171.10146	10.4
173.04437	6.1
179.03227	1.2
179.10757	1.2
179.38007	1.0
181.12254	8.6
187.07550	1.2
189.09123	1.3
191.05545	47.0
192.05887	2.4
197.11868	1.4
199.09697	52.4
200.09984	2.1
207.10208	55.1
208.10564	4.0
209.11780	7.5
213.05745	1.4
215.07169	1.3
215.12828	1.5
217.10730	1.6
225.11273	100.0
226.11652	5.9
227.03439	4.8
243.09843	2.0
243.12341	30.3
244.12718	1.9
269.04587	8.6
301.10764	1.6
339.65018	1.0
341.10373	2.0
342.10944	1.7
361.15402	1.3
413.19614	1.4
439.17691	12.4
440.17776	2.3
446.14975	1.9
477.15811	1.7
477.30859	2.2
495.16199	1.5
631.23663	4.3
632.23566	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57574	0.7
51.90339	0.8
54.42091	0.8
57.03321	1.4
59.01255	20.3
68.99677	2.0
69.03308	1.5
69.47115	0.8
69.95805	0.8
70.62476	2.9
71.01253	12.8
71.04893	1.2
78.95787	0.9
80.02550	2.3
81.03326	6.4
83.04899	8.8
84.02035	2.3
85.02823	2.9
89.02319	3.9
93.03334	3.9
93.22893	0.7
95.01252	2.0
95.04897	2.4
97.02831	15.5
99.00753	1.9
101.02324	4.2
107.04904	2.1
109.06474	83.4
110.03616	3.8
110.06803	3.1
111.00771	1.4
111.04400	1.6
113.02339	1.1
119.03396	1.8
121.02799	2.7
121.06477	6.7
123.04414	4.1
125.09601	3.9
133.06505	1.1
135.08043	8.4
136.05225	4.0
142.02617	6.8
145.10149	1.4
155.03369	2.5
160.57544	0.9
161.09673	4.9
163.11201	40.9
164.11595	1.5
165.09103	1.0
171.10210	3.7
173.04437	1.2
179.10612	1.3
181.12253	15.4
185.11731	3.3
189.09181	2.3
191.05544	6.4
197.11696	1.1
199.09691	8.3
207.10205	100.0
208.10606	4.1
209.11734	1.1
225.11273	36.8
226.11694	1.5
243.12346	4.4
254.99352	0.9
301.10660	1.9
435.95920	1.0
631.23737	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	631.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02208	1.5
55.40297	1.5
59.01245	24.6
61.98703	10.8
67.01748	3.2
68.99676	3.7
69.03319	5.7
70.99519	3.7
71.01250	15.6
71.02378	1.6
72.99164	3.2
73.02813	4.9
74.02346	2.3
75.00742	3.3
78.95779	3.9
81.03328	4.0
83.04907	3.9
84.04608	1.5
85.02817	12.7
85.44501	1.6
87.00755	5.4
89.02287	11.1
93.03328	21.6
94.03688	2.3
95.04896	4.4
96.95886	4.8
97.02824	6.7
97.06464	2.4
99.00748	2.7
101.02320	10.9
104.73153	2.0
109.02865	1.9
109.06476	36.3
109.07183	3.0
110.93391	1.7
111.00771	2.1
111.04414	3.4
113.02289	3.3
119.03382	3.3
121.02853	13.5
123.04414	6.0
125.05907	2.3
125.09614	5.5
127.03910	3.4
128.03468	2.5
133.02827	1.8
135.04405	4.2
135.08066	5.7
137.02345	4.0
137.09637	3.6
139.00279	2.9
143.04538	2.5
149.02325	3.0
150.03114	2.0
151.03838	2.2
155.03313	2.4
155.10722	5.5
161.02377	2.6
163.11189	18.1
165.05458	4.8
171.10179	13.4
173.04524	10.9
179.03391	4.3
179.05545	7.7
181.08589	2.5
181.12271	5.3
183.10165	18.8
184.17426	2.0
191.05536	70.6
192.05882	7.2
195.06586	1.8
199.09694	66.3
200.10086	1.7
207.10208	55.2
208.10634	3.1
209.11780	10.0
211.13330	3.4
215.12883	3.3
223.06085	4.2
225.11267	100.0
226.11623	8.4
243.12343	40.3
244.09848	4.0
244.12640	2.4
269.04611	3.1
284.03152	4.0
285.03983	3.9
306.07751	2.7
307.08081	3.6
356.11429	5.2
357.09836	3.7
368.32709	2.0
371.10342	3.9
372.11960	4.8
403.12473	7.2
439.17880	8.4
447.22552	3.0
449.14423	4.4
534.16846	2.4
588.20581	4.2
613.18536	2.1
631.23584	3.4
632.19354	2.9
635.43427	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	631.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20522	0.8
59.01245	3.8
61.98708	7.6
67.01763	2.8
68.99699	1.5
69.03325	3.8
71.01252	3.5
75.00745	2.4
85.02833	3.7
87.00759	0.8
89.02319	1.1
93.03358	4.5
97.02853	1.2
97.53256	1.0
101.02328	3.0
108.02045	1.7
109.02836	8.3
111.04372	1.3
113.02371	1.7
119.03400	1.1
119.04916	1.8
121.02859	3.2
122.03630	1.3
123.00697	1.9
123.04380	1.5
124.01539	2.3
127.03911	2.1
131.05040	0.8
133.02872	1.8
135.04439	4.2
136.01559	8.5
137.02354	17.7
138.03020	1.4
139.00186	2.1
139.03918	2.1
143.04878	1.3
143.10678	2.9
145.02812	1.5
146.03633	1.2
147.04425	2.1
149.02335	3.1
150.03140	8.8
151.00256	9.8
151.03931	9.6
152.01054	1.6
153.05495	2.8
155.03392	1.0
155.10698	1.1
158.03546	1.0
159.04405	5.6
160.05219	14.2
161.02351	3.0
161.05901	1.9
162.03070	1.0
163.03905	1.7
164.01076	1.5
164.04782	1.3
165.01854	100.0
165.05479	8.9
166.02631	26.1
167.03136	1.8
172.05135	1.2
173.02463	0.9
173.04462	3.6
173.06023	2.7
175.03925	3.5
175.07553	14.5
176.04671	2.7
177.01831	1.9
177.05524	2.4
178.06255	4.0
179.03421	19.0
180.04208	59.7
181.04990	70.6
182.05334	3.4
187.03969	2.6
188.04610	1.0
189.05521	3.0
190.06256	2.8
191.03575	1.6
191.05540	27.3
191.07088	3.7
192.04224	1.7
192.05896	1.3
193.04942	1.7
193.08606	4.6
194.05766	3.7
195.02890	3.1
195.06573	77.4
196.06960	4.1
201.11345	1.1
205.04984	3.0
205.08624	1.5
206.05519	0.8
210.05293	11.2
211.05708	1.6
219.12329	16.1
220.07384	1.4
221.08191	1.2
223.06026	1.3
225.07646	61.8
226.08002	3.8
227.07234	1.3
232.27246	0.9
238.06413	1.4
253.08914	1.0
266.05829	1.1
281.04529	1.4
281.08032	1.0
282.05396	3.2
294.05450	1.8
296.06964	1.9
297.04245	1.1
297.07617	5.0
309.07651	5.6
312.06668	1.4
312.09976	5.6
313.10559	1.2
324.10001	3.0
325.10562	1.0
327.08749	2.4
327.12390	12.0
342.11139	9.1
343.11600	1.3
344.09024	1.1
345.09726	2.5
345.13522	3.3
357.13452	60.2
358.13788	5.0
359.11383	9.8
375.10614	1.0
375.14624	6.8
376.14896	1.4
387.14502	12.1
388.14709	1.3
389.12366	1.4
404.14658	1.1
405.15543	5.4
406.15714	1.3
407.13382	1.3
413.19470	1.3
417.15375	1.9
429.14120	3.4
439.17984	2.4
553.20850	17.4
554.21106	2.7
565.21045	6.0
566.20654	0.9
583.21899	2.5
601.23035	5.3
602.23035	1.1
613.22955	4.6
631.25366	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38559	1.0
59.01244	6.0
59.94908	0.9
61.98699	14.7
67.01755	2.0
68.99673	1.3
69.03319	2.3
69.20264	4.1
69.20676	6.8
71.01244	5.5
72.99173	1.9
80.10440	1.0
85.02823	6.7
87.00766	1.5
89.02315	6.4
93.03319	5.8
96.95883	4.7
99.04449	1.1
101.02321	4.0
108.02062	2.4
109.02834	7.1
111.53719	1.2
113.02361	1.6
119.03419	1.3
119.82894	1.0
121.02824	2.6
122.03634	3.2
123.00764	3.2
123.04388	1.9
124.01536	1.5
128.03471	1.7
128.90054	2.1
133.02785	1.8
135.04459	2.3
136.01561	5.3
137.02339	17.0
139.03896	2.0
145.02817	1.8
147.04413	2.6
149.02339	4.4
149.04514	1.1
150.03139	12.0
151.00264	13.9
151.03882	8.6
152.00955	1.2
153.01828	1.3
155.03400	1.8
158.03665	1.4
159.04416	8.8
160.01561	1.4
160.05208	22.8
161.02344	6.0
161.05925	1.9
162.03030	1.7
163.03920	1.2
163.57448	1.1
164.01099	1.3
164.04700	1.5
165.01845	100.0
165.05495	14.3
166.02628	29.3
167.03194	1.8
173.02271	1.3
173.04457	2.7
173.05965	2.4
174.03102	1.5
175.03934	3.2
175.07558	20.1
176.04703	3.7
176.07898	1.4
177.05519	1.5
178.02701	1.5
178.06227	3.0
178.37436	1.1
179.03421	24.1
179.06964	2.1
180.04202	53.7
181.04985	81.9
182.05316	4.0
187.03880	1.5
189.05489	3.3
190.06264	3.0
191.05547	38.0
191.06999	2.1
192.05928	2.7
193.04922	1.9
193.08641	5.4
194.05762	11.9
195.06561	80.0
196.06868	2.8
205.05035	1.6
205.08524	1.5
209.08148	11.2
210.05247	11.0
219.12527	1.5
225.07646	61.2
226.08047	3.3
252.82034	1.1
254.05725	1.2
265.05212	1.4
279.06641	1.1
281.04532	1.5
282.05368	9.8
296.06891	1.9
297.07611	14.5
298.08005	1.1
306.07568	1.2
309.07651	4.1
312.06488	2.6
312.09985	19.3
313.10635	2.0
313.49155	1.2
324.09927	1.7
327.08878	2.8
327.12341	43.1
328.12720	4.5
329.06732	2.3
329.10510	1.3
341.10205	1.4
342.11026	7.8
345.09726	3.4
346.10510	1.1
357.13440	32.6
358.13757	3.6
359.11298	10.7
360.11926	1.5
373.12933	1.7
375.09708	1.6
375.14435	24.0
376.14752	1.6
387.14401	5.4
405.15536	19.2
406.15826	2.0
407.13388	1.2
507.17734	1.1
523.19501	1.6
535.19769	1.7
553.20697	17.3
554.21289	2.8
565.20612	5.9
583.21765	3.7
584.21338	1.2
601.22797	2.4
613.22589	3.4
631.23877	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	629.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	56.4
67.37762	0.8
69.03325	0.9
69.43033	5.1
69.43439	1.9
70.30318	0.7
71.01241	2.1
93.03336	2.6
99.00725	1.0
101.02319	1.4
104.01311	1.0
108.71998	0.9
111.24958	0.8
111.42429	0.8
112.98699	1.5
121.02853	1.4
122.03609	3.2
133.02869	1.1
133.05605	0.8
136.23582	0.9
149.02350	7.3
150.03128	41.0
164.04654	3.1
165.05473	61.9
166.05821	3.2
173.04497	1.1
173.85410	0.8
180.04196	4.2
181.04962	2.5
184.98396	1.0
191.05516	3.6
195.06549	100.0
196.06966	5.9
197.08371	0.8
207.73195	0.8
211.09718	3.2
255.10217	0.9
281.77078	0.9
359.14929	3.4
360.15671	1.0
407.17084	28.3
408.17438	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	631.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	45.2
61.98709	36.4
62.85225	3.6
67.01756	18.7
68.99682	33.8
69.03321	24.1
69.23804	28.5
69.24205	10.8
71.01251	32.3
72.99184	10.0
81.03365	3.4
81.13934	3.9
83.01234	7.7
84.25258	3.2
85.02840	12.3
87.00722	11.9
89.02319	18.9
90.55352	3.8
93.03341	33.5
95.01260	11.0
97.02805	11.9
99.00761	66.7
101.02306	37.3
107.04917	15.0
109.02808	7.7
111.00758	13.2
113.02344	9.5
115.00259	31.1
119.03359	7.5
119.04989	3.8
121.02827	16.8
121.06517	4.4
123.04379	8.6
126.81758	4.2
127.03891	17.2
133.02835	4.9
135.04390	36.2
137.02304	16.1
139.00285	30.1
147.04437	4.6
149.02225	4.0
151.03902	22.5
153.05481	5.0
161.02364	7.9
161.05980	4.8
165.01830	59.7
165.05545	4.8
166.99777	28.0
167.03560	4.9
171.04376	7.1
173.02356	4.4
175.02385	20.8
175.03893	7.0
179.03384	52.1
179.05080	4.8
179.05467	4.0
189.05431	9.2
191.03554	8.1
191.05530	24.0
193.04987	9.3
195.06493	5.8
197.04469	8.3
199.07520	6.3
212.11586	4.4
217.05048	4.7
223.06023	7.2
231.06635	5.2
233.04588	6.0
250.06517	8.3
250.56865	8.7
263.09198	12.6
303.08698	4.3
305.02908	16.3
307.08197	5.0
337.05490	19.7
347.07544	7.8
367.10153	7.8
399.09280	27.7
437.11002	4.6
469.13437	15.9
487.14221	14.8
487.20493	4.7
527.13953	28.3
528.14508	6.0
569.15094	100.0
570.15527	15.5
587.16162	52.3
588.16479	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	629.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33476	1.2
57.92168	1.1
58.00462	4.9
59.01249	100.0
60.01578	2.3
63.71622	1.2
70.84615	4.0
71.01252	62.0
72.99179	3.9
73.02826	1.9
76.78844	1.3
83.01232	1.6
85.02821	11.5
87.00753	5.5
88.23423	1.3
89.02314	95.5
95.01259	5.2
101.02319	29.8
113.02324	27.2
119.03392	43.1
127.05023	2.4
131.03377	4.1
138.17210	1.3
143.03378	9.0
149.02341	2.7
149.04462	3.6
149.95540	1.5
150.03104	2.8
161.04439	9.8
165.05473	5.1
179.03876	2.7
179.05516	43.9
180.05795	2.1
181.04930	2.7
191.05504	2.8
195.06516	1.8
202.02672	1.5
516.03009	1.4
581.20050	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	629.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
61.98708	2.0
69.27511	11.0
71.01245	2.0
88.98678	5.2
89.02309	5.8
93.03295	1.9
101.02310	1.6
112.12168	1.3
112.85095	1.1
121.02843	2.4
122.03589	3.5
136.86520	1.1
142.73792	1.1
149.02338	39.2
150.03131	34.2
152.54391	1.2
164.04707	13.1
165.05470	55.4
179.05554	1.2
180.04163	2.3
181.04965	3.1
191.05496	2.5
193.08492	1.6
195.06551	47.3
196.07143	4.3
197.08173	1.6
211.09714	4.8
344.12708	11.9
345.13028	1.9
359.14966	76.3
360.15308	8.3
389.15900	2.4
407.17078	47.2
408.17377	5.9
551.28778	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	629.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	0.3
61.98698	0.9
63.02267	0.9
63.71629	0.1
65.00208	0.5
70.25316	0.7
71.01250	0.3
83.01241	0.4
84.89124	0.1
85.02813	0.3
86.43541	0.1
87.00752	0.3
87.04399	0.2
89.02292	0.2
93.03336	0.5
105.03337	0.5
107.01272	1.7
109.02826	1.0
113.02335	0.2
118.38426	0.1
121.02860	0.7
132.02164	0.1
133.02849	4.8
134.03287	0.1
134.03490	0.1
135.04399	0.4
149.02341	1.5
151.00275	3.5
151.03857	0.2
152.00644	0.2
155.10690	0.5
169.06448	0.3
171.04414	0.4
173.04543	0.5
173.05952	0.2
175.03908	1.7
177.01813	0.5
185.05949	0.3
187.03813	0.2
189.05511	0.2
191.05556	2.6
197.06020	0.3
198.03110	0.3
199.03940	2.0
199.09663	0.4
201.01846	0.7
201.11223	0.2
209.11819	0.2
211.03967	0.2
213.05490	0.5
215.03561	0.4
217.05031	1.0
223.03821	0.3
227.03339	0.2
229.05054	0.2
239.03384	0.2
240.04228	0.2
241.05037	0.5
242.05254	0.2
243.02994	0.4
255.02983	0.6
256.03833	0.4
257.04550	0.5
267.03015	0.2
283.02457	0.4
284.03281	3.6
285.04034	100.0
286.04388	8.4
353.08652	0.3
446.08423	0.4
449.14529	0.2
629.18732	28.4
630.19067	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	629.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	7.8
59.01230	6.1
61.04432	1.6
61.98681	6.6
63.02255	2.1
65.00199	7.9
66.54390	1.6
67.01737	2.8
69.03311	3.1
70.76323	1.5
71.01218	6.3
72.99178	2.4
78.95744	3.2
80.96358	5.2
83.01225	6.6
85.02793	4.9
87.00702	2.5
93.02865	1.8
93.03332	20.0
94.97916	2.3
95.01272	2.7
97.02776	1.9
98.19769	3.2
101.02288	2.2
107.01266	11.2
109.02821	4.7
111.04419	2.4
113.02236	2.0
121.02832	3.0
122.03548	2.7
123.00732	1.9
123.04362	2.9
124.01475	2.7
125.02332	65.4
126.02652	2.0
133.02805	5.0
134.03577	4.9
135.03589	1.5
135.04402	16.6
136.01480	2.6
137.02263	6.1
139.00175	2.4
146.03529	1.9
149.02278	6.7
150.03113	15.6
150.99196	2.2
151.00276	33.0
151.03831	1.6
155.03404	3.2
159.04398	3.0
161.02333	10.9
162.03078	1.6
163.03731	2.3
164.98436	2.1
165.01761	5.9
165.05481	13.1
166.02669	8.8
167.03207	2.0
172.05107	3.0
173.04482	14.4
174.03058	2.9
174.04828	1.8
177.01799	3.6
178.02455	2.4
179.03383	11.6
180.04071	3.5
181.04973	14.3
186.06767	3.0
191.05531	67.5
191.08157	2.8
192.04126	2.5
192.05812	4.0
195.06462	7.5
203.03384	5.2
207.06418	3.6
209.07965	2.9
212.04698	7.9
218.05623	5.7
225.00629	1.8
227.03220	1.8
227.10564	2.9
231.10225	1.6
233.08011	5.7
236.06696	2.4
240.04179	2.2
243.13733	2.9
251.09142	16.0
253.12195	4.7
269.07935	1.8
269.11649	4.6
284.03214	7.6
285.03806	2.4
287.12881	21.9
295.05902	2.3
296.03040	3.5
297.03580	2.3
297.11118	2.5
299.37186	1.9
309.03857	6.0
310.89618	1.6
313.10550	6.3
315.09332	2.0
315.12390	26.8
322.04483	1.9
331.11349	1.7
337.03119	1.7
337.07083	2.7
339.12183	6.3
340.97177	1.8
341.06339	2.5
341.10294	43.8
342.10544	3.3
353.08817	10.3
353.12497	1.8
361.07086	2.5
363.12054	3.8
405.13345	2.7
421.12640	6.6
433.14630	6.8
434.14883	2.6
437.12119	3.3
439.14133	11.9
449.12500	15.0
450.12518	2.2
467.13425	100.0
468.13766	13.4
469.49915	1.7
509.14087	5.5
554.30157	1.9
581.19958	3.1
611.17615	16.1
629.18604	59.0
629.28235	3.3
630.18481	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	627.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	1.7
59.01241	2.5
59.63907	0.8
61.98704	5.9
68.38458	0.7
69.03329	1.9
69.41702	6.3
71.01261	1.8
78.95779	61.2
79.22122	0.7
83.04916	1.4
85.02809	0.8
93.03306	2.3
95.04903	0.8
96.96841	16.1
97.06454	0.9
109.06487	1.2
113.09625	4.4
129.71790	0.8
135.04410	2.2
152.99498	100.0
153.99857	1.8
161.02344	2.9
167.10683	3.8
171.00603	4.5
179.03419	1.0
179.10715	0.9
179.14352	3.8
181.60098	0.8
191.05548	9.2
195.13847	13.2
202.06654	0.9
205.10918	0.7
205.12341	6.6
209.11731	1.4
211.13432	1.3
213.01588	1.2
223.00089	13.6
223.13354	45.5
224.13684	2.5
241.01146	39.5
242.01558	1.3
259.02209	4.5
265.21628	1.0
293.21240	31.7
294.21481	3.2
311.22192	1.8
315.04865	19.7
333.05859	2.8
393.90631	0.8
446.23392	1.0
511.19431	5.7
537.07996	1.1
539.18988	64.2
540.19385	7.0
563.72437	0.8
609.26794	10.4
610.26947	2.0
627.27881	32.4
628.27979	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	627.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	4.5
61.98689	4.8
71.01244	3.5
71.51067	1.8
78.95775	48.0
79.95614	2.1
80.96409	1.3
81.95194	1.4
81.99939	1.0
85.02817	4.2
87.00730	1.6
89.02326	1.6
90.22734	1.1
93.03339	5.9
96.96841	11.4
97.06467	1.6
99.08033	1.9
101.02333	2.4
104.30201	1.0
113.09621	2.5
123.04401	1.2
125.09586	1.4
129.09132	3.1
133.02841	2.5
135.04436	2.7
136.44687	1.1
136.98985	1.0
139.11153	1.3
152.99486	62.0
153.09123	1.2
153.99808	1.1
163.11191	2.1
169.12265	1.7
171.00575	1.4
171.10208	7.0
173.04483	3.9
179.03415	1.4
179.07014	1.8
181.08665	1.9
181.12251	3.3
183.10223	2.6
191.05560	24.1
192.05829	3.2
197.11761	6.9
199.13324	3.8
209.11719	7.1
211.13350	12.1
223.00046	6.6
241.01158	24.6
259.02203	2.2
272.75455	1.3
284.03339	3.1
285.04065	4.0
293.21149	9.0
294.21542	1.1
311.22296	35.0
312.22772	2.1
315.04898	8.6
609.29382	2.7
627.27960	100.0
628.28375	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	627.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50944	0.9
59.01250	5.1
59.53881	0.9
61.98698	3.1
67.86256	0.8
71.01246	2.8
71.51511	1.2
76.86896	0.9
78.95779	54.4
79.95627	1.0
83.04902	2.7
85.02815	3.0
87.00766	1.7
89.02316	0.9
93.03344	5.2
96.96848	8.7
99.08035	1.2
101.02316	2.5
109.13288	1.0
111.04417	1.2
111.08057	1.2
113.09598	2.2
119.02599	1.0
126.55290	0.9
128.26866	1.0
129.09087	2.7
133.02815	1.5
134.03577	1.2
135.04404	2.9
135.08102	1.7
151.11238	1.2
152.99495	62.5
153.99814	1.4
155.03441	1.6
161.04517	1.0
169.12245	3.4
171.00575	1.5
171.10164	1.8
173.04480	3.1
177.01785	0.8
179.03375	2.2
181.08640	8.4
181.12239	3.8
183.10182	2.8
183.13817	1.8
191.05547	21.2
192.05818	2.5
193.12236	1.1
197.11772	9.5
199.13339	5.6
207.10127	1.1
209.11795	6.1
211.13379	12.5
215.07042	1.2
219.10124	1.1
223.00061	6.7
225.11314	2.0
241.01140	23.3
253.09169	1.6
259.02118	1.1
275.09152	1.1
285.04077	2.0
293.21249	8.8
311.22311	27.1
312.22580	2.2
315.04831	8.8
325.99603	1.0
333.05768	1.3
354.48523	1.0
398.23224	1.2
432.68704	1.3
437.12469	0.9
477.17545	1.4
542.10199	0.9
609.29474	1.5
627.27905	100.0
628.28296	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	627.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00465	4.6
59.01252	100.0
60.01588	2.2
60.61030	1.9
61.98706	13.1
65.92159	1.8
68.81135	2.0
69.03327	2.2
69.29349	7.0
69.29774	10.9
71.01256	62.1
72.01549	1.8
72.34735	1.7
72.99162	8.2
73.02835	3.4
75.00746	10.3
75.01097	1.6
83.01228	3.2
85.02821	14.7
87.00742	6.5
89.02315	74.4
89.91399	1.8
90.02679	1.9
93.03326	7.1
95.01264	3.5
96.95872	2.9
97.81592	1.9
101.02321	31.7
113.02332	25.9
116.14197	2.0
119.03390	27.3
119.04797	4.4
120.05265	3.8
121.02857	2.2
123.04352	2.5
131.03438	3.5
135.04408	7.6
137.02367	2.4
143.03358	8.5
149.02364	3.0
149.04453	2.2
150.03107	4.1
153.05426	3.0
158.85318	2.2
161.02350	2.8
161.04456	7.9
163.03908	3.1
164.04498	2.2
165.05460	2.5
173.04449	5.3
173.93225	1.7
179.03491	5.5
179.05504	30.2
179.06967	4.2
181.04950	9.5
182.05304	4.2
189.05334	2.5
191.05528	37.6
194.05698	4.9
195.06444	5.1
209.08153	15.2
210.08484	6.0
210.12183	2.8
225.54982	2.1
246.25998	2.3
376.84265	2.0
398.68500	2.3
421.04218	2.2
463.17328	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	627.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58436	2.2
59.01251	77.9
59.13115	2.5
61.98708	2.5
71.01252	15.4
72.99139	2.4
83.74236	2.0
85.02853	2.3
87.00746	6.1
88.26710	2.4
88.98674	8.1
89.02315	24.2
101.02333	8.6
103.08453	2.0
113.02356	3.4
119.03393	5.5
122.03597	5.1
132.04395	2.5
147.04495	2.3
149.02342	18.6
150.03137	38.1
151.03929	3.3
161.02341	8.8
164.04680	4.0
165.05492	70.4
176.04800	3.7
178.46536	2.2
179.03416	10.3
179.05504	6.7
180.04237	4.9
191.05544	10.4
194.05719	10.1
195.06557	100.0
195.08350	4.8
196.06895	5.9
209.08139	34.9
224.92862	2.1
281.23648	2.5
322.17902	2.3
342.10934	4.8
357.13446	41.4
358.13721	5.3
405.15512	21.2
406.15823	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	627.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87567	2.8
59.01245	4.9
66.36254	3.7
67.01761	2.8
69.03313	4.3
71.01245	11.0
71.50220	2.9
73.02823	8.2
77.07077	2.7
83.01246	5.3
85.02837	7.1
87.00761	27.3
92.88395	2.7
93.03329	5.2
97.02837	4.6
100.01541	5.4
101.02336	4.6
109.02810	3.9
111.00748	12.2
112.98637	4.0
123.00764	8.8
137.02293	13.7
139.03845	3.8
142.99800	4.8
161.02338	4.6
163.03912	6.7
164.04666	6.1
165.01842	96.1
166.02542	6.4
173.00803	11.4
173.04561	4.3
174.01605	5.7
175.03888	4.3
176.04744	4.6
177.01855	3.0
177.05771	2.8
178.06252	3.3
179.03413	30.6
179.07040	9.8
180.04210	68.7
181.04909	10.6
191.03595	5.6
191.05499	30.2
191.07129	7.0
193.08626	3.8
194.05731	11.3
195.02916	3.2
195.06563	100.0
195.08342	6.5
196.06926	2.8
205.05025	5.8
206.05650	5.5
209.08101	9.9
210.05267	16.5
219.02975	4.4
221.08267	4.5
225.07631	64.5
234.05316	4.0
247.02499	5.3
261.04071	5.0
262.04688	6.1
263.05579	3.8
264.06296	4.4
265.07230	4.4
276.06415	5.3
277.07178	18.8
295.08240	3.8
322.06900	3.4
337.09332	48.1
338.09631	5.3
399.14441	10.9
428.60126	3.0
443.13174	3.7
473.14404	4.2
491.15567	25.8
503.15448	4.4
521.16077	4.7
551.17102	3.6
563.17639	6.4
609.18286	16.7
610.18677	5.5
627.19226	96.1
628.19318	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	625.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	0.5
58.00471	0.7
59.01250	19.2
60.56779	0.4
60.99179	0.7
61.98703	1.1
68.82810	0.4
68.99681	0.6
69.03319	1.7
69.44338	3.0
71.01254	14.0
71.04883	0.6
72.99174	3.0
73.02827	2.9
75.00741	1.2
80.02543	1.8
81.03325	2.3
83.01263	1.3
83.04892	5.9
84.02029	1.3
85.02828	4.0
87.00750	4.4
88.00333	0.5
88.98666	3.4
89.01754	0.8
89.02314	15.0
93.03316	3.2
95.01260	0.9
95.04870	0.9
97.02807	1.6
98.20597	0.5
99.00767	1.2
101.02319	12.1
106.37396	0.4
107.04946	0.4
109.02840	0.9
109.06470	0.7
111.00768	1.0
111.04427	0.7
113.02331	6.0
119.03376	4.3
119.04857	0.6
121.02827	1.0
123.00774	0.7
123.04389	0.5
125.02323	4.7
125.05933	0.7
129.01823	0.4
131.03447	0.7
135.04390	1.7
135.08054	0.5
137.02327	1.3
138.03133	0.6
139.00281	0.6
143.03419	2.4
145.02646	0.4
149.02324	0.8
149.04434	0.6
150.03104	0.8
151.00270	1.1
152.28419	0.4
152.34824	0.4
153.01849	1.3
153.05472	1.1
155.03368	0.6
158.93086	0.4
161.02386	0.8
161.04456	2.9
163.03954	0.9
163.11192	5.0
164.11469	0.5
165.05490	1.1
165.12737	3.4
167.03479	0.5
173.04442	1.7
176.03937	0.6
177.01828	2.2
177.05545	0.5
179.03404	1.0
179.05515	2.9
181.04948	1.6
181.12300	1.3
183.04207	0.5
185.04536	0.5
191.03722	0.8
191.05537	10.2
191.07013	0.4
191.10666	1.1
192.04172	2.1
192.05768	0.6
194.05658	0.4
195.06541	0.9
207.06548	4.5
208.03758	0.8
209.11765	100.0
210.12117	6.4
221.06543	1.2
223.06076	0.9
227.12837	20.9
228.13191	1.0
235.08173	4.9
253.09224	0.7
263.05478	0.6
287.07816	0.8
299.01993	0.5
305.08801	1.4
317.03107	0.7
323.09775	0.8
343.11609	0.5
357.11981	0.9
376.60431	0.5
397.13470	28.4
398.13922	2.8
403.13922	1.9
404.14157	0.6
415.14572	17.8
416.14874	1.5
487.12360	0.5
507.15179	1.2
625.26569	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.271
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	0.9
58.00468	1.1
59.00958	1.2
59.01250	20.9
61.55101	0.7
61.89778	0.6
67.01751	0.9
67.50244	0.6
69.03311	1.3
71.01253	14.9
71.51002	0.8
72.99162	1.5
73.02808	2.3
75.00755	1.0
80.02530	1.7
81.03334	2.8
83.01256	2.1
83.04901	6.6
84.02025	2.1
85.02828	5.2
87.00744	3.8
87.33771	0.6
89.02322	14.4
90.00344	0.7
91.03877	0.7
93.03331	2.0
93.82674	0.8
95.01255	1.3
95.04884	1.4
97.02827	1.9
99.00751	1.0
101.02320	12.6
109.02848	0.8
111.00764	0.9
113.02330	6.4
119.03383	4.1
119.14767	0.7
121.02863	0.7
125.02337	5.2
125.05950	0.9
127.03896	0.6
135.04472	0.6
135.07991	1.6
139.00269	1.9
139.03867	0.9
143.03371	2.5
157.32968	0.6
159.04489	1.0
161.04408	2.1
163.11221	5.8
164.11565	0.6
165.12735	2.4
171.02898	0.7
173.02371	0.6
173.04474	1.0
174.21953	0.6
176.64188	0.6
179.03368	0.6
179.05557	2.8
179.25677	0.6
181.12279	1.4
191.05542	21.1
191.10677	1.4
192.05792	0.5
193.98051	0.6
197.53587	0.6
206.36740	0.6
206.41205	0.6
209.11769	100.0
210.12096	6.2
221.06549	0.8
227.12845	16.3
228.13161	1.0
229.05049	1.2
234.67462	0.6
235.08157	4.2
253.09023	1.1
271.02460	0.8
272.02289	0.7
277.09354	1.0
287.07907	0.7
305.08792	0.7
316.02335	1.8
323.09650	0.7
352.07809	0.7
397.13483	26.3
398.13892	2.0
403.14215	0.8
415.14554	16.8
415.19952	1.0
416.15009	2.0
421.11899	0.8
447.13034	1.0
625.14191	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	625.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43226	1.8
54.51358	1.5
59.01249	7.1
61.98690	5.4
68.33981	1.7
69.03329	2.1
71.01267	2.9
71.51254	2.6
78.95776	58.4
85.02829	4.7
87.00755	2.6
89.02308	1.9
93.03342	6.6
96.96843	13.0
98.47514	1.5
101.02316	2.7
109.06513	2.5
111.08009	1.9
112.71951	1.5
128.34244	1.5
133.02881	1.7
135.04454	2.6
138.03215	1.4
152.99492	100.0
153.99806	2.1
161.02316	2.2
167.10725	3.3
171.00549	4.4
173.04491	3.2
177.01961	2.2
177.12804	9.2
179.14316	2.5
191.05530	34.0
191.07172	3.0
195.13794	8.7
197.11800	3.4
205.12224	8.1
208.62674	1.6
209.11740	4.4
223.00085	11.2
223.13336	40.9
223.15382	2.9
241.01163	33.4
259.02414	3.4
259.52866	1.6
269.04559	3.9
291.19699	26.9
292.19974	3.6
297.22531	2.0
315.04865	17.6
333.05978	3.8
369.13556	2.2
510.11169	1.8
539.18927	66.5
540.19318	8.7
607.25031	11.2
608.26019	2.2
625.26074	29.8
626.26691	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	625.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43226	1.8
54.51358	1.5
59.01249	7.1
61.98690	5.4
68.33981	1.7
69.03329	2.1
71.01267	2.9
71.51254	2.6
78.95776	58.4
85.02829	4.7
87.00755	2.6
89.02308	1.9
93.03342	6.6
96.96843	13.0
98.47514	1.5
101.02316	2.7
109.06513	2.5
111.08009	1.9
112.71951	1.5
128.34244	1.5
133.02881	1.7
135.04454	2.6
138.03215	1.4
152.99492	100.0
153.99806	2.1
161.02316	2.2
167.10725	3.3
171.00549	4.4
173.04491	3.2
177.01961	2.2
177.12804	9.2
179.14316	2.5
191.05530	34.0
191.07172	3.0
195.13794	8.7
197.11800	3.4
205.12224	8.1
208.62674	1.6
209.11740	4.4
223.00085	11.2
223.13336	40.9
223.15382	2.9
241.01163	33.4
259.02414	3.4
259.52866	1.6
269.04559	3.9
291.19699	26.9
292.19974	3.6
297.22531	2.0
315.04865	17.6
333.05978	3.8
369.13556	2.2
510.11169	1.8
539.18927	66.5
540.19318	8.7
607.25031	11.2
608.26019	2.2
625.26074	29.8
626.26691	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	625.253
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95457	0.8
59.01260	3.8
59.19635	0.7
61.98695	2.4
63.96099	0.9
67.01729	0.7
69.03330	1.5
71.01267	7.1
71.51058	0.7
71.51413	0.9
73.02825	1.0
78.95767	3.3
78.98479	3.5
79.95607	100.0
80.96390	35.7
81.03357	1.8
83.04876	0.9
85.02813	6.3
87.00744	2.7
89.02369	0.8
91.49367	0.7
93.03335	6.5
94.97955	8.7
95.01271	1.2
96.95889	0.9
97.02810	2.6
101.02325	3.8
106.97957	2.1
111.04398	1.0
111.94575	3.0
115.00214	0.9
122.97471	3.8
123.04476	1.2
125.02338	2.6
127.03880	1.7
133.02861	2.0
134.03647	4.2
134.97498	3.6
135.04422	3.1
136.98985	2.1
137.02324	1.3
137.47102	0.7
148.99051	3.7
152.98447	4.4
152.99524	2.8
155.03392	1.5
160.01497	1.1
161.02298	1.2
161.04471	1.7
164.98555	7.1
173.04486	4.5
175.03857	1.2
177.01837	0.8
177.16299	0.7
178.02602	1.3
179.00117	2.2
179.03424	1.1
182.99585	2.1
191.05542	33.8
192.05902	1.5
193.04922	1.8
197.11658	1.1
206.99689	3.8
207.10179	1.2
209.11739	4.1
211.13226	1.2
223.99910	1.0
225.00700	19.8
226.01126	0.8
231.10159	1.3
241.00273	3.8
243.01741	2.4
272.09555	0.8
275.09329	3.5
283.13367	1.7
299.04440	4.6
309.15021	0.8
315.03958	1.7
349.09128	3.0
357.18799	0.9
371.06323	2.6
385.08032	1.8
399.09656	3.5
413.11194	1.2
433.19998	1.9
471.15070	1.0
497.16925	5.2
509.17075	1.2
516.02972	0.8
539.17987	35.2
540.18579	4.6
540.25800	0.9
607.24194	6.8
625.25293	36.5
626.25824	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	625.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	79.8
61.98706	1.4
65.03825	3.0
68.99696	3.9
69.03327	3.9
71.01256	7.4
71.50992	0.9
71.97321	0.9
72.99171	7.5
73.02811	2.6
75.00749	1.4
85.02823	2.8
87.00732	1.6
89.02306	4.8
91.05418	0.8
93.03333	18.5
93.03923	1.0
95.01304	1.1
96.95882	4.8
101.02319	14.1
107.04896	1.5
109.02843	2.0
109.06457	0.8
113.02334	2.2
116.35493	0.7
119.03458	2.1
119.04913	54.7
120.05256	2.3
121.02849	26.8
121.06477	17.1
122.03181	1.7
125.02380	1.0
127.03902	1.0
133.02818	0.8
134.03624	1.4
135.04414	19.3
137.02403	1.4
138.91446	0.7
141.56700	0.7
143.03258	0.8
145.06401	1.0
149.02322	2.8
150.03162	1.4
151.00276	1.6
151.03918	2.0
153.01846	2.3
153.05476	40.1
154.05788	1.0
155.10603	0.7
161.02292	5.1
163.03918	35.8
164.04597	3.2
165.05388	1.8
173.04582	0.9
173.06006	3.7
176.04669	3.1
178.02676	0.9
179.03413	14.5
179.06985	4.6
180.03983	1.2
181.04982	100.0
182.05338	4.8
187.13342	2.4
189.22009	0.8
191.05519	9.1
191.07114	3.4
191.32085	0.8
192.05942	0.8
193.04994	5.6
194.05765	14.7
195.06371	2.4
197.04500	1.7
205.08496	1.1
209.08133	46.3
209.11771	5.8
210.08484	2.8
227.12848	1.4
249.07663	1.2
267.08945	2.3
284.03323	1.0
299.11472	0.9
300.31339	0.9
353.12732	1.4
361.09079	5.4
373.12921	1.2
397.13556	1.7
403.14072	1.4
411.13470	2.0
415.14374	1.0
429.13812	3.9
431.13663	0.8
435.00650	0.8
458.11215	1.7
461.16748	38.8
462.17001	2.9
503.20889	0.8
525.77301	0.9
593.19025	2.0
607.12268	1.0
625.21466	26.8
625.29114	1.2
626.22180	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	625.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17231	0.4
53.26780	0.4
58.80160	0.5
59.01253	1.0
61.98701	1.1
63.02275	0.7
65.00228	0.6
66.67467	0.5
69.74484	0.5
78.95786	0.9
80.96390	0.4
83.01248	0.7
85.02798	0.5
93.03340	0.9
107.01264	1.3
132.02130	0.5
133.02873	2.5
135.04398	1.2
146.03622	1.0
149.02408	1.0
151.00276	3.3
161.05902	0.6
173.04533	0.7
175.03958	1.2
179.07071	1.3
183.04407	0.6
191.05539	4.6
196.62006	0.5
199.04007	1.1
205.52924	0.6
211.03992	0.6
227.03473	1.0
255.02977	78.9
256.03470	10.1
257.03970	0.6
268.03738	1.0
269.04190	0.7
281.04541	1.1
283.02481	100.0
284.03204	43.3
284.06473	0.6
285.04025	57.6
286.04340	4.1
296.03186	4.0
297.03882	2.5
313.03604	3.6
314.04013	0.5
325.03519	3.7
326.03952	0.6
327.05042	1.8
360.32013	0.5
367.04639	1.1
405.09366	0.7
433.09308	2.3
445.08243	12.3
446.08530	61.9
447.09174	24.1
447.15521	0.7
448.09598	2.1
449.14606	0.6
463.10452	4.8
464.10693	1.0
625.15601	13.3
625.24744	0.8
625.38177	0.7
626.15967	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	625.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05420	2.0
59.01225	1.8
70.07288	7.1
85.02818	2.1
89.02327	2.0
93.03332	4.5
98.20576	1.9
121.02882	2.7
144.66272	1.9
151.00264	8.8
151.01555	1.9
169.06073	7.4
174.47917	1.5
175.00168	1.9
191.05559	16.7
192.94189	1.8
196.01965	1.6
199.03880	5.4
201.01984	1.5
215.03319	2.8
226.11096	1.5
227.03343	4.7
237.25023	1.7
243.02939	4.3
255.02884	3.9
261.22229	1.9
271.02475	56.2
272.02811	2.3
299.01947	100.0
300.02545	22.8
301.03494	44.8
302.03809	2.7
339.01447	2.1
387.04269	1.8
435.09430	2.0
462.08026	22.5
463.08792	34.1
464.08557	2.7
609.07520	1.7
625.14008	64.1
626.14227	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	623.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05661	0.2
57.03315	0.4
59.01247	4.3
61.98698	0.5
63.02264	0.3
67.01761	0.2
67.86096	0.2
69.03326	0.6
69.34117	0.4
69.34525	1.8
69.69832	0.2
72.99178	0.5
73.02817	0.5
81.03317	0.4
83.01256	0.7
83.04908	0.5
85.02822	1.2
87.00738	0.8
89.02320	3.2
93.03326	0.8
93.42352	0.2
95.01250	0.3
97.02827	1.2
101.01711	0.2
101.02326	2.5
107.01264	0.7
109.02779	0.3
109.06474	4.3
109.36221	0.2
110.06769	0.3
113.02325	1.5
119.03394	0.9
121.02829	0.9
125.02337	0.8
131.03407	0.4
133.02843	0.5
134.03632	1.0
135.04419	0.3
135.08041	0.4
136.01566	0.2
142.02628	0.2
149.04436	0.9
151.00224	1.2
151.03899	0.3
155.10638	0.3
161.04471	0.6
161.09596	0.2
163.11188	2.5
166.02646	1.0
173.04457	0.4
179.05559	0.5
181.05005	1.7
181.12228	0.8
188.04480	0.2
191.03748	0.3
191.05548	5.2
191.07147	0.5
192.05844	0.4
207.10197	10.6
208.10529	0.8
211.04053	0.3
211.06000	1.1
221.06480	0.3
225.11272	7.8
226.11487	0.4
227.03481	0.8
228.04326	0.3
235.08168	0.4
243.02736	0.3
255.02921	2.2
256.03714	2.4
257.08130	0.3
258.80838	0.2
269.04733	0.3
271.02484	0.4
283.02536	1.0
284.03253	83.2
285.03616	7.8
297.04269	0.4
298.04544	0.3
299.05597	100.0
300.02747	0.3
300.05936	9.7
315.05017	0.5
387.14572	1.0
397.13608	3.1
415.14438	2.4
427.49414	0.2
449.14944	0.3
461.18005	1.0
462.18549	0.3
605.24310	0.5
623.15967	7.4
623.25714	8.0
624.16168	1.4
624.26080	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	4.4
65.00182	0.7
65.83516	0.7
70.38601	2.7
71.01247	3.1
74.61524	0.7
77.29368	0.8
83.01270	1.0
85.02813	1.6
89.02327	3.8
93.03329	0.9
97.02862	1.8
98.19920	1.1
101.02316	2.7
101.03996	0.8
109.06466	3.8
113.02328	1.5
125.02265	1.2
151.00252	4.6
163.11198	1.8
179.05379	0.9
183.04424	1.3
191.05545	4.8
199.03964	4.1
201.01912	1.1
207.10201	10.5
211.03981	1.5
211.05878	0.9
215.03467	1.9
225.11311	7.8
226.02718	1.4
227.03503	5.5
242.02191	3.2
243.02942	21.8
244.03522	2.6
254.02148	1.4
255.02969	18.0
256.03534	2.3
257.04483	2.7
270.01672	2.4
271.02481	44.2
272.02933	5.0
284.03250	4.1
285.04022	5.1
286.04657	2.3
287.05692	1.0
299.02011	37.7
299.05554	4.3
300.02713	34.2
300.06122	1.7
301.03073	2.9
314.04291	25.1
315.05090	100.0
316.05444	9.1
397.13495	4.1
415.14536	3.6
623.16193	88.4
623.25500	9.7
624.16516	13.2
624.25653	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	621.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	0.7
58.00459	0.8
59.01251	18.2
61.98693	1.1
65.03828	1.5
66.06697	0.6
67.01750	2.2
68.99685	7.3
69.03323	10.1
71.01254	12.0
71.51160	0.5
72.99184	8.3
73.02806	1.2
83.01236	2.7
85.02820	4.4
87.00771	0.9
89.02316	12.7
91.01799	0.6
91.05377	0.6
93.03339	17.7
94.03666	1.1
94.41975	0.5
95.01259	1.1
95.04890	1.6
96.95906	2.9
97.02790	0.6
99.00737	0.7
101.02322	18.0
101.03790	0.6
102.09237	0.5
103.05467	0.6
106.04087	0.5
107.04919	1.3
113.02334	4.1
119.03409	4.6
119.04915	8.1
121.02839	23.0
121.06491	8.4
122.03182	0.6
127.03889	3.4
131.03371	0.8
137.02373	1.0
143.03429	1.3
145.06497	1.1
147.04416	36.1
148.04747	1.8
149.02306	1.5
151.03903	1.4
153.05478	12.8
154.05836	0.7
163.03922	0.7
163.07677	0.7
165.01810	2.2
165.05482	100.0
166.05794	4.3
171.04465	1.2
173.04500	1.2
173.06024	3.2
179.03438	3.9
179.05565	1.1
181.04979	2.2
191.05528	6.7
191.07054	1.3
197.04504	10.0
201.11203	0.7
204.80171	0.6
205.08650	2.1
217.05032	0.8
223.09662	1.0
249.07690	2.1
309.09860	0.9
341.08765	9.9
342.09244	0.6
345.09842	2.2
397.11908	0.5
411.13040	0.9
429.14008	21.4
430.14240	1.5
440.29886	1.2
441.30728	1.2
473.13000	23.6
474.13239	3.0
480.56512	0.6
481.17026	0.7
503.72644	0.6
577.19238	14.1
578.19611	1.7
620.36847	1.5
621.37787	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.3612
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76088	0.7
53.90423	0.6
61.98703	3.2
62.11867	0.7
78.95772	100.0
80.02543	0.9
81.03339	0.9
83.04885	2.1
96.96832	7.8
103.31365	0.8
134.98383	1.6
150.97896	1.0
152.99486	57.4
163.11186	1.2
165.12746	0.8
171.00606	1.0
191.10690	0.6
209.11752	23.0
210.12105	1.8
215.08482	0.7
227.12767	6.0
255.23254	73.0
256.23669	7.3
314.40723	0.8
363.12076	11.0
381.13116	1.7
391.22488	15.6
391.27139	1.3
392.22940	1.5
409.23514	10.7
410.23849	1.0
415.23618	0.9
504.18753	0.7
547.74921	0.7
619.36127	26.8
620.36407	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	621.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66743	0.3
57.03345	0.3
59.01255	6.0
59.75185	0.2
61.98717	2.1
65.03880	1.0
65.91241	0.3
67.01810	0.5
68.99706	2.2
69.03328	8.0
71.01252	3.7
71.51262	0.5
72.00810	0.6
72.99177	11.5
73.02843	0.4
78.93837	0.3
78.95830	0.3
83.01286	0.4
85.02822	1.8
87.00800	0.7
88.98705	0.3
89.02324	4.5
91.05456	0.3
93.03338	4.1
94.03725	0.3
95.01331	0.4
96.95903	1.9
96.96880	0.3
97.02872	0.6
99.00786	0.4
101.02320	5.7
104.63251	0.4
107.04935	0.3
109.02901	0.4
111.00789	0.4
111.04454	0.4
111.19480	0.2
113.02331	2.0
119.03439	2.2
119.04920	4.4
119.05715	0.3
121.02841	2.5
121.06543	0.9
123.04458	0.6
131.03432	0.5
135.04407	3.3
135.05295	0.3
137.02391	0.8
143.03395	0.4
144.44847	0.2
147.04422	18.8
148.04784	1.6
149.02376	0.7
149.04501	0.4
149.05992	0.7
153.05495	7.3
154.05928	0.4
155.03419	0.3
161.02283	0.5
161.04465	0.4
163.03943	3.2
163.07645	0.4
164.07053	2.5
165.01872	0.4
165.05528	0.6
165.07448	0.7
173.04520	1.5
173.06035	1.0
175.03906	0.5
179.03419	0.7
179.05583	0.8
191.03448	47.4
191.05481	5.6
191.07111	1.0
192.03804	2.2
192.05972	0.8
193.04994	0.8
197.04468	0.6
205.08682	0.5
209.04500	100.0
210.04829	5.4
223.09679	0.8
223.71355	0.3
239.13443	0.3
249.07622	0.6
267.08795	0.4
268.09756	0.3
269.10083	0.5
312.08524	0.4
345.11545	1.1
357.06012	0.6
389.08731	0.4
429.14008	13.0
430.14008	1.0
577.21185	3.6
578.21198	0.4
621.17474	10.2
621.29474	1.9
622.18768	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2558
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
63.07753	0.8
71.00324	0.8
78.95776	51.2
80.98953	0.7
83.04907	0.7
83.67242	0.7
85.52502	0.6
96.96854	5.3
106.50968	0.7
152.99495	28.8
156.41629	0.8
171.00473	0.8
189.05930	0.8
202.08876	0.7
209.11787	14.4
227.12880	3.2
228.13144	0.8
255.23291	40.2
256.23657	3.0
363.12122	7.2
381.13278	1.3
391.22519	12.3
392.77188	0.7
401.14188	2.3
402.14630	0.9
409.23639	5.6
415.15616	3.1
416.16406	11.4
417.16754	1.2
429.17084	2.0
430.17999	3.3
431.18854	1.8
434.17200	1.1
443.08710	0.8
444.15479	1.4
445.16016	1.1
448.15347	1.0
459.18265	100.0
460.18613	18.1
473.19803	15.1
474.20554	6.5
487.17706	2.0
500.18204	1.0
501.19458	2.0
503.17279	3.0
504.17438	1.2
508.31378	0.7
517.18604	1.7
518.19562	46.8
519.19885	9.0
532.20990	8.1
533.21918	93.4
534.22186	18.1
544.21381	0.9
587.22937	5.7
588.23450	1.5
619.25555	75.6
619.36005	17.2
620.26056	17.8
620.36194	2.2
632.45880	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.4056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34644	1.3
57.03316	3.3
59.01238	4.3
61.98708	1.5
68.50119	1.7
71.50650	1.6
75.14241	1.6
78.95777	14.3
81.03349	1.9
83.04923	2.7
94.42755	1.5
95.04931	1.7
97.02823	1.7
97.06489	2.2
106.04152	1.6
109.06482	2.7
111.08061	8.5
123.04362	3.2
123.08056	2.5
125.09606	6.2
126.74177	1.4
127.07511	1.9
135.08028	3.3
135.39764	1.6
137.09642	2.0
141.05470	3.9
151.11272	2.7
152.99471	9.2
153.09106	12.8
163.11218	8.3
165.12761	2.2
169.12248	4.1
171.10178	13.7
179.10696	2.5
185.11739	6.9
187.09561	1.9
191.05548	2.2
191.14355	9.3
197.11761	36.3
199.13229	2.3
207.10185	5.6
209.11725	9.2
211.13354	3.3
225.11192	4.1
245.19086	18.1
246.19456	2.7
255.23254	5.7
263.20184	2.5
271.16998	3.7
289.14764	3.1
289.18069	77.1
290.18417	8.0
291.19534	7.2
307.19125	100.0
308.19424	8.7
309.20700	33.3
310.21036	5.2
313.42871	1.6
325.20142	28.6
326.20639	2.0
344.09134	1.7
391.22440	2.5
427.28735	1.8
581.38318	3.3
599.39374	4.3
617.41016	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	617.406
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25371	0.7
57.03324	1.6
59.01231	2.3
69.51978	3.8
69.52392	1.0
71.01250	1.1
75.58345	0.8
78.95763	6.0
79.49549	0.6
80.02554	0.8
81.03376	0.8
82.93604	0.6
83.04902	2.6
95.04874	1.1
97.02842	0.8
97.06474	1.1
98.03645	0.8
98.19830	1.4
99.08036	1.3
109.06431	1.3
111.08055	1.2
123.08152	0.7
125.09591	2.5
127.07530	4.0
127.11218	1.2
129.09169	0.7
135.04396	1.6
137.09615	0.9
139.07497	1.6
151.11197	0.8
152.99495	4.1
153.09113	1.6
153.12720	2.7
155.10632	1.9
161.09584	0.7
163.11211	2.2
165.12721	1.9
167.10690	1.6
169.12262	1.1
171.10159	1.2
176.11459	0.8
178.09927	1.0
179.10706	1.3
179.14334	1.9
181.12262	2.7
185.11682	3.9
191.05652	1.5
191.10689	1.2
197.11774	6.8
207.10226	0.8
207.13809	1.3
209.11761	24.6
210.12074	1.5
211.13387	1.0
225.11241	1.0
227.12849	1.4
237.11327	0.9
238.11926	1.1
245.19070	1.3
247.20622	2.7
255.23289	1.7
263.20065	1.3
273.18582	2.4
279.19656	0.9
281.21185	1.8
282.61612	0.8
289.18192	3.7
291.19641	24.8
292.20059	2.5
295.84961	0.7
307.19128	26.1
308.19421	2.1
309.20691	100.0
310.21097	9.7
313.88147	0.7
325.20190	23.1
326.20523	2.2
381.13019	1.4
581.38513	2.2
582.38312	1.2
599.39313	4.7
617.40424	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	617.4055
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36243	1.0
57.03298	1.5
59.01247	3.6
62.04953	1.1
69.03300	1.7
71.01214	1.1
71.50966	1.7
73.38441	0.9
73.46567	1.1
78.95766	6.4
80.02515	1.2
81.03330	1.9
83.04882	3.0
95.04889	2.3
96.96821	1.2
97.02810	3.8
109.06429	2.1
111.08032	9.8
121.06478	1.2
123.04402	2.9
123.08056	1.9
125.05950	1.2
125.09603	5.1
127.11266	1.2
135.08035	5.0
135.09068	1.0
136.05165	1.1
137.09604	3.7
141.05460	4.4
141.09077	1.7
151.11131	1.2
152.99471	3.9
153.09106	9.8
153.12686	2.0
163.07498	1.3
163.11177	5.3
169.12248	6.0
171.10150	13.7
172.10551	1.5
179.10745	1.6
181.12227	1.7
185.11722	8.7
191.05504	1.2
191.14349	9.4
197.11754	39.2
198.12076	2.3
199.13191	2.3
207.10197	3.5
209.11719	8.7
211.13254	3.7
225.11267	3.5
227.12781	1.6
243.17459	1.7
245.19054	19.2
246.19296	1.3
247.16960	1.2
255.23305	2.7
263.20285	2.8
271.16937	2.4
289.18082	79.7
290.18362	8.3
291.19510	6.3
307.19122	100.0
308.19406	8.8
309.20660	27.0
310.20953	2.5
325.20166	29.6
326.20642	3.4
368.35510	1.1
581.38593	2.4
599.39471	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	615.3904
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	4.2
59.01236	5.9
61.98692	2.3
70.00275	1.3
70.00603	6.5
78.95804	2.5
81.03304	1.7
83.04874	1.5
84.20645	1.4
84.95670	1.4
88.02280	1.3
95.04911	2.6
97.02836	2.9
97.06519	1.5
109.06481	4.2
121.06483	3.3
123.04380	4.6
125.09592	6.5
135.08038	4.7
137.05991	1.9
137.09607	6.7
141.05453	2.8
149.09650	2.4
152.99426	3.0
153.09105	5.9
157.22906	1.6
163.11206	9.6
171.10211	12.6
175.30647	1.4
179.10713	2.6
185.11745	9.1
191.05499	3.8
191.14401	7.8
197.11758	2.0
207.10188	5.7
209.11781	6.4
225.11261	5.6
245.19077	18.4
271.17038	1.7
276.25739	1.7
282.54694	1.5
289.18103	100.0
290.18491	8.5
307.19138	97.5
308.19348	7.5
325.20200	21.7
326.20380	3.2
338.18405	1.5
445.99338	1.7
522.39685	1.5
579.36731	3.7
597.38147	3.3
615.39618	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	615.3903
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03340	1.6
59.01249	5.6
64.41103	1.3
69.67566	8.1
71.01241	2.6
78.95787	4.0
80.02542	2.2
80.96394	2.3
82.46860	1.7
83.04903	3.3
93.03340	4.2
95.04884	2.4
96.29766	1.4
97.02859	2.0
97.06467	3.9
107.04948	3.8
109.06517	1.8
115.86458	1.8
125.09608	5.1
127.11185	1.9
135.08060	3.4
137.09605	1.4
151.11220	3.3
152.99516	4.8
153.09108	4.9
153.12726	5.0
163.11203	3.8
165.12810	4.2
171.10184	5.9
173.04427	1.8
179.10768	2.1
181.12230	3.5
185.11713	3.2
191.05577	8.1
191.10712	2.8
191.14371	1.7
197.11827	7.4
207.10211	6.0
209.09914	2.3
209.11780	33.7
225.11342	4.8
227.12779	4.0
243.17601	1.5
245.19135	4.3
247.20729	3.1
261.18509	1.5
287.16458	4.2
289.18143	15.1
290.18665	1.9
291.19629	27.7
292.20068	2.4
305.17587	38.8
306.17963	4.1
307.19211	18.2
309.20691	100.0
310.21069	9.8
315.88290	1.4
323.18668	8.3
325.20200	4.8
579.36829	5.7
593.94891	1.6
597.38226	3.9
615.39691	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	615.3899
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61289	1.8
52.09958	1.7
54.16299	1.8
57.03307	2.1
59.01238	6.1
61.98705	2.4
67.01767	1.7
69.03307	3.1
71.01226	1.9
71.04877	1.9
71.50624	2.6
78.95765	6.4
80.96370	3.5
81.03338	3.8
83.01268	3.4
83.04884	3.7
85.02844	2.2
88.47465	2.1
93.03330	4.4
95.04900	5.0
97.02824	5.5
97.06467	3.6
97.96571	1.7
106.04074	2.9
107.04875	2.7
109.02816	1.8
109.06501	2.7
116.37988	1.5
121.06497	1.5
123.04420	8.3
123.08012	1.9
123.77200	1.8
125.09618	11.9
135.08051	5.4
137.09610	4.1
141.05463	5.1
152.99443	3.8
153.09161	9.9
162.10269	2.4
163.11121	9.8
165.12793	2.9
171.10205	13.8
172.10345	1.9
178.09885	2.2
181.12160	3.4
185.11768	13.1
191.05511	13.1
191.10652	1.9
191.14291	11.1
197.11652	3.3
197.23840	1.7
207.10152	8.6
209.11760	44.5
210.18983	1.8
211.13315	2.9
217.15993	2.6
225.11342	11.2
227.12767	2.5
236.10265	1.8
243.17406	2.2
245.19035	25.0
247.13330	2.1
247.16943	2.1
263.20087	3.6
271.16998	3.4
286.95477	2.0
287.16516	2.9
289.18103	100.0
290.18365	10.5
291.19550	2.5
305.17584	21.9
307.19153	93.5
308.19510	9.7
309.20685	7.5
323.18637	10.1
324.18637	2.2
325.20276	28.8
325.65469	2.0
334.52747	1.9
449.00040	1.8
466.48730	1.9
473.32294	2.0
499.30545	2.8
524.39197	2.1
579.36859	2.3
597.37976	8.1
615.38843	4.2
622.80304	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	615.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70973	0.5
57.29270	0.5
57.44141	0.5
58.48594	0.5
59.00992	0.8
59.01258	8.1
61.98701	1.5
62.78653	0.5
65.03848	1.3
67.01765	1.0
68.99686	2.8
69.03333	10.2
70.83093	1.2
71.01260	5.4
72.99165	0.9
73.02827	0.8
74.26324	0.6
75.40068	0.5
78.95753	0.9
83.04907	1.0
85.02817	3.3
87.00745	1.4
89.02316	4.9
93.03337	7.4
95.01226	0.8
96.95886	1.3
97.02856	0.6
101.02327	8.5
109.02866	0.9
109.06551	0.5
111.04420	1.1
113.02345	2.0
119.03400	1.8
119.45519	0.5
121.02845	2.1
121.06459	0.9
123.04399	0.8
125.09624	0.6
127.03926	1.0
127.11181	6.8
131.03270	0.5
133.02841	1.6
135.04427	1.5
137.02359	1.2
142.06517	1.2
149.02321	0.9
150.03113	3.1
153.05486	9.6
155.03407	1.6
155.10657	3.5
157.10957	1.2
157.12256	22.3
158.06065	0.6
158.12625	1.3
161.02315	1.3
161.04573	0.6
163.11263	0.9
165.01871	1.0
165.05450	3.0
173.04485	3.8
173.05923	1.1
174.03090	0.5
179.03351	1.9
179.05562	1.1
180.04239	0.8
186.03676	0.5
191.05545	20.8
191.06955	1.2
192.05832	1.0
195.06601	1.4
196.06773	0.6
203.12836	100.0
204.06619	2.8
204.13219	6.6
204.44688	0.6
209.11778	18.7
210.12166	1.4
215.07054	2.9
223.09639	0.8
227.12830	6.9
228.13152	0.6
253.04892	0.6
264.03989	0.6
267.08981	0.7
284.03415	0.8
285.03745	0.6
299.05789	0.7
383.17065	1.4
391.53116	0.6
423.18219	1.8
429.14017	20.7
429.19901	1.2
430.14526	2.2
567.22070	0.7
615.26617	17.8
616.27460	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	615.2439
Annotation	3-Vinylbacteriochlorophyllide a
Peak:m/z	Relative Intensity
50.52399	0.6
57.03316	1.1
59.01250	3.8
60.99165	3.4
61.98705	0.8
65.03833	0.6
67.01759	10.6
69.03335	3.8
71.01250	5.0
73.56634	0.5
78.95782	0.6
81.03313	2.7
81.47404	0.5
83.01247	0.6
83.04892	1.5
85.02822	10.1
85.03302	1.0
87.00748	15.3
93.03332	69.6
94.03671	2.2
97.02879	0.6
99.00735	0.9
99.04412	0.7
108.02071	0.7
109.02838	2.1
111.04398	9.7
113.02282	0.7
124.01559	1.2
125.02336	0.9
127.03896	3.2
129.01807	1.3
132.02063	0.8
133.02869	2.6
134.03642	7.0
135.04410	50.4
136.04732	1.3
137.02388	2.9
139.11258	0.7
141.09059	0.6
145.02823	0.6
150.03093	1.1
151.03864	2.7
155.03386	2.7
160.01605	1.5
161.02336	4.2
171.02885	1.2
171.10173	2.4
173.04466	23.8
174.04703	0.8
177.05571	0.8
178.02621	1.8
179.03407	15.4
180.03778	1.1
183.10220	4.7
191.05536	100.0
192.05910	3.1
195.54970	0.6
196.91252	0.6
207.10185	1.3
209.11748	1.5
222.98636	0.5
225.11201	0.8
244.01709	0.5
248.27904	0.5
275.09140	0.9
307.08096	0.8
308.09015	3.0
312.02216	0.5
328.79407	0.6
334.06995	1.0
352.07986	2.4
353.08502	1.1
379.19144	5.9
397.20374	1.1
423.18027	3.3
441.19046	2.7
582.87469	0.7
615.24371	85.3
616.24585	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	615.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	0.7
61.09361	0.5
61.98713	0.7
67.01762	1.1
70.20689	1.9
71.39128	0.4
85.79368	0.4
91.13484	0.5
93.03338	1.0
107.04887	0.6
108.78825	0.6
109.02822	1.8
109.90513	0.5
135.04416	0.5
136.01564	2.5
137.02353	16.4
147.00768	0.9
150.03105	0.6
151.03894	1.5
163.03938	1.2
164.01010	3.1
165.01843	100.0
166.02170	4.4
173.04535	0.6
178.02640	0.7
179.03418	27.6
179.07031	0.8
180.04198	62.8
181.04588	3.1
191.05490	2.2
191.19119	0.6
194.05759	5.5
195.03001	3.0
195.06554	86.1
196.06866	5.4
210.05263	15.6
210.07292	0.8
211.05684	0.9
213.15167	0.5
225.07634	71.7
226.08025	5.5
227.08078	0.6
231.82587	0.5
270.08841	1.8
283.09698	1.5
285.11169	1.3
295.09891	0.5
297.07651	0.6
297.11285	0.7
298.08459	0.6
299.09189	1.9
299.12537	0.6
311.09207	0.7
313.10532	0.7
314.08005	2.0
325.10886	0.6
326.07956	0.6
327.12311	2.0
328.13077	5.5
329.10278	5.5
329.13770	0.8
330.10724	0.9
341.10229	5.4
341.13889	1.1
342.10803	0.7
343.15408	1.1
344.12646	6.6
345.13272	1.7
356.12613	2.5
359.15021	18.2
360.15314	2.1
371.14957	15.0
372.15347	1.4
383.07687	0.6
507.16736	1.2
522.18597	1.1
537.21832	5.7
538.21808	0.7
549.21387	0.9
552.20074	0.8
567.22321	45.4
568.22601	7.4
615.24304	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	615.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44941	0.5
55.34389	0.6
56.24478	0.5
57.03325	2.7
59.01244	2.3
60.99173	4.9
61.98696	2.6
62.61092	0.5
65.03831	1.2
67.01758	14.3
68.74474	0.5
69.03318	4.7
70.03682	0.5
71.01249	3.9
71.31123	1.3
78.95768	1.0
81.03341	2.8
82.60741	0.6
83.04879	2.2
85.02813	1.9
87.00754	18.0
87.01284	1.0
87.91248	0.6
93.03333	100.0
94.03668	3.3
97.02824	0.8
99.00756	2.4
99.04376	0.9
101.02326	0.9
106.04091	0.7
109.02824	1.5
111.04401	11.7
113.02280	0.8
121.02831	0.6
127.03928	0.7
129.01825	2.3
129.89307	0.5
133.02847	3.8
134.03636	6.6
135.04422	7.4
137.02324	2.5
139.03912	0.8
152.99498	0.7
155.03426	4.0
166.21396	0.6
171.10188	0.8
173.04471	55.9
174.04811	1.9
177.01845	0.9
178.02652	5.0
179.03326	2.3
190.35698	0.5
191.03928	0.9
191.05551	6.8
209.11711	0.9
247.16592	0.5
263.16406	2.1
301.78479	0.6
339.28711	0.6
378.82236	0.6
379.19312	0.8
397.19943	1.1
423.18298	1.1
441.19162	3.1
615.24402	57.5
616.24701	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	613.4451
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79566	0.7
57.03321	1.5
59.01244	2.4
61.98702	2.2
69.45566	0.8
77.73830	0.7
78.95780	2.8
84.76684	0.8
95.04910	6.2
98.20604	2.3
113.09618	2.5
152.99463	2.0
179.14340	1.1
195.12077	1.1
195.13847	17.3
196.14232	1.0
217.11945	1.4
229.57387	0.7
233.50974	0.7
246.12204	0.9
249.11084	1.9
249.22195	1.1
255.23218	3.7
277.21701	14.2
278.11380	6.8
278.22064	0.7
295.22775	100.0
296.23148	9.9
299.19968	0.9
311.56140	0.8
315.19324	1.1
317.20959	48.2
318.21597	4.2
361.19995	5.9
452.27609	1.9
492.79099	0.8
520.62952	0.7
552.70068	0.8
613.44373	18.2
613.75226	1.5
614.44043	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	614.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98700	100.0
71.70928	2.3
78.95767	3.6
93.03345	2.6
100.12659	2.4
100.33472	2.3
103.79678	2.2
119.58790	2.2
133.17693	2.2
135.04407	4.2
152.99449	2.7
177.01881	3.8
191.05493	6.8
255.03015	12.8
353.30051	2.7
387.10901	2.5
387.98932	2.4
483.10489	3.7
535.06592	5.5
536.07312	12.0
537.07837	3.3
551.09821	69.4
552.09955	14.1
596.27930	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	615.244
Annotation	3-Vinylbacteriochlorophyllide a
Peak:m/z	Relative Intensity
57.03317	2.1
59.01247	1.5
60.99175	5.5
61.98682	0.6
65.03831	0.8
67.01758	14.6
68.02098	0.4
69.03321	3.8
71.01256	4.6
71.38815	0.6
73.02795	0.4
77.35943	0.4
78.95751	0.4
81.03329	2.5
83.04904	2.0
85.02809	2.0
87.00323	0.3
87.00744	17.9
93.03330	100.0
94.03688	2.6
99.00755	1.9
99.04398	0.5
101.02334	0.4
109.02845	1.3
111.04396	12.1
112.04756	0.5
113.02323	1.2
115.03914	0.9
125.09629	0.6
127.03927	0.6
129.01834	1.7
132.02023	0.4
133.02834	2.7
134.03630	6.4
135.04419	7.1
137.02336	2.7
139.03920	0.5
143.03337	0.3
150.03085	0.5
152.99438	0.5
155.03398	2.9
155.98152	0.3
160.01489	0.6
161.02251	0.5
173.04463	56.9
174.03491	0.4
174.04735	2.0
177.01840	0.9
178.02609	3.9
179.03323	1.4
191.05530	10.7
219.17517	0.4
263.16486	0.9
308.09271	0.6
313.10306	0.4
319.92053	0.4
351.06891	0.5
379.19012	1.9
397.20038	1.8
423.18076	0.8
441.19080	1.0
615.24402	56.9
616.24762	8.8
616.34583	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.3099
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97021	0.2
59.01251	0.4
61.98703	100.0
62.98415	0.2
70.88522	0.3
70.88828	0.2
78.95776	1.1
84.65666	0.1
85.02880	0.2
87.00755	0.2
93.03373	0.2
96.96851	0.2
113.09624	0.4
117.72503	0.1
135.04462	0.2
152.99501	1.2
158.71820	0.1
159.60115	0.2
173.04518	0.2
183.10194	0.2
191.05585	1.3
192.06001	0.2
197.11809	0.5
211.13475	0.4
223.13394	0.2
224.13632	0.2
231.24036	0.2
242.07954	0.2
257.44327	0.2
257.98132	0.2
293.21216	2.9
294.18845	0.2
294.21393	0.9
295.21884	0.4
296.22220	0.3
307.22882	0.2
504.84558	0.2
525.22321	0.4
575.15082	0.2
613.30963	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	4.7
61.98703	11.1
62.19443	0.9
63.12998	1.1
67.01746	2.2
69.03322	1.7
70.53465	3.3
71.01248	3.7
73.02840	1.4
75.00744	2.7
81.03328	1.5
84.26077	1.2
85.02823	6.2
87.00752	3.8
89.02309	3.1
93.03339	21.3
95.04901	1.9
96.95858	1.9
101.02326	3.5
108.02010	1.6
109.02851	6.5
111.04403	1.8
111.33533	1.1
119.04868	1.4
121.02810	8.6
122.03638	12.0
123.00775	1.4
123.04405	1.6
124.01543	1.7
125.02347	1.3
127.03900	1.2
133.02826	2.0
134.03586	1.4
135.04395	4.8
136.01524	7.6
137.02347	21.2
137.09605	1.3
138.03070	1.2
139.03899	1.8
147.04482	1.1
148.01456	1.1
149.01239	2.1
149.02351	29.0
149.05930	1.4
150.03130	98.4
151.00262	7.4
151.03934	12.1
152.01053	1.6
152.04590	1.4
153.01764	1.3
155.03339	1.7
155.10672	1.8
159.04471	1.1
161.02377	1.9
161.06009	1.3
162.03189	1.7
163.03842	2.6
164.04697	5.1
165.01843	42.0
165.05481	100.0
166.02623	22.8
166.05827	5.3
167.03378	3.3
173.04478	10.2
173.05864	1.6
175.03914	4.1
177.01855	2.9
177.05402	2.8
178.02707	1.2
179.03426	11.4
179.07059	2.0
180.04193	32.7
180.09306	1.1
181.04979	26.6
182.05281	1.4
184.03680	1.2
187.03955	2.8
187.07539	1.5
189.05476	1.2
190.06169	2.6
191.03712	2.3
191.05533	47.2
192.04202	2.1
192.05927	4.5
193.05019	2.2
194.05775	2.4
195.06557	84.6
196.06876	5.4
205.04965	7.5
206.05701	2.2
210.05278	4.9
215.07275	1.5
220.07268	4.0
221.07994	1.3
225.07617	24.1
225.11145	1.7
226.07841	2.3
235.09743	1.6
251.56926	1.1
255.02959	2.0
269.04495	3.3
285.03967	1.3
315.08621	1.1
329.10229	3.3
339.08795	1.6
341.10251	2.1
356.12604	1.2
357.13318	3.7
372.12076	2.1
387.10574	2.9
387.14682	20.8
388.14816	1.8
402.13110	1.8
403.13974	2.6
417.15500	29.8
418.15881	3.5
439.13531	2.0
446.08359	2.3
535.19104	5.4
545.19775	1.4
547.19653	1.6
550.18604	2.3
563.21667	1.3
565.20752	64.4
566.21185	10.6
577.22650	1.7
595.23376	1.4
613.22394	6.7
613.32849	3.8
614.21368	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.118
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74596	0.5
59.01260	0.8
60.99174	0.9
67.01740	1.6
69.03292	0.5
69.74725	2.8
70.09170	0.5
71.01248	1.1
78.95776	5.3
79.95601	1.5
85.02828	3.7
87.00723	2.7
92.85664	0.5
93.03336	12.1
94.03691	0.5
96.95888	55.7
96.96792	5.6
109.02837	0.6
111.04401	1.9
116.04578	0.5
116.05348	0.5
127.03895	1.3
133.02795	0.8
135.04398	6.1
161.02347	3.8
163.18881	0.4
173.04468	2.8
179.03433	7.0
191.05536	100.0
192.05907	3.8
271.08142	1.0
309.37729	0.6
323.07751	0.9
334.68314	0.5
353.08795	12.7
354.09171	1.5
515.14044	42.1
516.14465	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	613.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34193	0.4
56.48448	0.4
59.01262	2.2
60.99178	0.6
61.98691	2.3
67.01771	1.6
67.54716	0.7
71.01266	1.0
73.02814	0.5
80.40577	0.4
85.02831	0.9
87.00738	0.8
88.98682	4.2
89.02343	0.7
93.03347	2.7
101.02362	0.7
109.02843	1.9
119.01313	0.5
121.02811	0.7
135.04401	0.9
136.01593	2.4
137.02350	19.9
138.02640	0.5
149.02342	1.1
149.06020	0.5
150.03108	1.1
151.03926	1.7
159.04346	0.5
162.03070	0.6
163.00304	0.5
163.03940	1.1
164.01044	3.1
164.04665	0.8
165.01846	100.0
166.02164	4.3
173.04506	0.8
177.05434	1.5
179.03421	25.6
179.06937	0.7
180.04198	59.4
181.04576	3.0
190.06316	0.6
191.05542	8.2
191.07146	0.7
192.05908	1.2
194.05800	3.7
195.02991	2.5
195.06558	73.0
196.06871	3.6
203.07140	0.5
204.04135	0.6
205.04984	0.5
210.05284	11.4
211.05698	0.7
220.07275	0.5
225.07634	63.6
226.08075	3.5
226.09937	0.7
237.05421	0.7
239.07327	0.5
255.02901	1.2
267.06577	0.6
268.07364	1.8
269.04617	0.6
279.06784	0.6
280.07291	0.5
283.02368	0.6
283.09702	1.6
293.08051	0.8
295.45831	0.4
296.06964	0.9
297.07645	0.8
297.11182	0.8
299.09210	0.8
307.09839	0.6
308.07043	0.8
308.10489	1.4
309.07550	1.4
311.09256	0.8
312.06430	1.7
321.07446	0.6
323.09143	3.4
324.06552	0.8
324.10144	1.7
325.07239	0.8
325.10831	2.1
326.08011	1.0
326.11429	2.9
327.08636	3.9
328.09088	1.1
337.10693	0.6
338.11691	0.9
339.08771	8.3
339.12375	1.2
340.09204	1.1
341.10117	0.7
341.13947	0.8
342.07260	0.7
342.11060	4.6
343.11600	0.8
354.11032	1.6
357.13419	20.7
358.13751	1.6
369.13397	19.7
370.13882	2.3
371.55795	0.5
446.08563	1.1
451.15475	0.5
487.13965	0.9
505.15002	0.6
517.18677	0.9
519.16895	0.5
535.20117	4.3
536.20422	1.1
547.19788	0.7
565.20776	37.3
566.21246	7.2
613.22400	2.5
613.30310	2.6
614.23730	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05449	1.0
57.03325	1.8
59.01250	3.7
61.98702	6.8
71.01245	1.0
71.42925	2.0
74.63717	1.0
78.95773	59.5
85.02813	2.0
87.00717	1.2
93.03339	4.8
96.95879	1.9
96.96834	10.0
101.02333	1.5
111.04398	1.0
113.09595	2.3
121.02802	1.0
133.02870	1.3
134.03621	1.0
135.04384	4.8
140.94411	1.0
152.99486	65.3
153.99783	1.0
171.00536	1.8
173.04446	3.2
179.03299	1.7
179.14230	1.4
191.03770	1.3
191.05537	24.7
192.05855	2.1
195.13831	19.0
196.14200	1.4
219.03076	1.1
223.00072	6.3
241.01141	22.8
259.02090	1.2
267.48120	1.0
272.73926	1.0
277.21698	13.7
295.22760	52.3
296.23126	5.4
315.04813	9.4
329.13773	1.7
521.11420	1.0
611.28357	100.0
612.28705	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	611.3079
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	2.2
59.01249	50.4
60.99163	1.0
61.98701	43.6
64.68791	0.9
67.01760	2.5
68.99680	1.1
69.03338	2.0
71.01257	13.0
71.50864	1.4
72.99179	2.3
73.02809	3.0
75.00733	1.4
78.95794	1.5
81.03319	2.3
83.04905	2.0
85.02826	11.3
87.00732	5.9
87.04385	1.0
88.98656	2.1
89.02303	4.2
93.03332	20.4
95.01276	1.3
97.02806	2.3
99.00718	2.0
101.02328	4.7
109.02819	3.9
111.04382	4.4
111.57848	0.9
113.02310	3.1
119.03374	1.2
119.04948	1.5
121.02836	1.8
122.03571	0.9
123.04424	1.3
127.03915	2.4
131.03380	1.1
133.02824	4.2
134.03677	6.0
135.04404	11.9
137.02315	4.1
138.06750	1.7
139.11185	19.5
140.11520	1.1
143.03383	1.2
145.02765	1.4
149.02376	1.5
150.03111	3.2
151.07553	1.9
152.08344	2.0
153.09125	5.9
155.03410	3.0
159.04401	1.1
161.02354	5.1
161.05920	1.1
161.44463	1.0
162.03130	1.6
163.11174	3.0
163.35883	1.0
165.01837	10.6
165.05476	2.4
173.04497	15.2
174.04811	1.5
175.03893	2.4
177.01802	2.0
178.02589	2.7
179.03447	11.4
179.07034	0.9
179.10649	1.1
180.04208	6.3
181.12306	5.2
183.08620	2.0
183.10179	23.2
184.10577	1.8
185.38834	0.9
187.03952	1.3
191.05539	90.4
192.05901	4.9
195.06540	7.4
197.11780	1.0
199.09734	1.2
199.13203	1.1
203.10765	1.8
205.12241	5.2
209.11839	1.3
213.01814	1.1
223.13345	1.4
225.07613	5.3
225.11206	6.1
229.08783	2.1
231.10176	1.9
243.12343	2.6
252.04114	1.7
253.04892	3.0
257.08224	4.4
275.09195	10.4
277.04974	2.7
279.02988	5.9
280.03754	7.8
281.04391	5.4
293.04605	6.0
294.05161	1.5
295.06079	3.8
296.06787	1.8
321.03961	5.0
321.07455	1.8
322.04697	6.5
323.09393	1.1
325.07309	1.2
335.07748	1.2
340.09631	1.4
352.07996	1.5
353.08823	5.9
355.11926	3.5
356.12204	1.0
367.11758	2.7
400.10168	2.2
415.17148	1.4
419.11273	5.2
431.26401	1.0
437.12436	2.4
449.14532	14.5
450.14920	2.4
514.11176	7.7
533.18622	1.3
563.19861	1.6
593.30023	2.8
611.18427	5.8
611.30713	100.0
612.21155	1.3
612.31018	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	611.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01235	3.8
61.98692	4.5
71.01252	6.8
71.50542	2.0
73.02818	1.3
78.95755	3.3
78.98454	4.9
79.95609	19.9
80.96391	53.8
85.02833	3.8
87.00739	3.6
93.03342	4.5
94.97958	14.7
96.95910	1.6
97.02818	1.6
97.63158	1.2
101.02319	3.3
106.97955	3.1
114.15723	1.2
122.97437	4.0
125.02322	4.1
134.97424	4.0
135.04413	3.8
136.99095	1.2
148.99045	5.8
152.98398	6.5
152.99500	3.4
164.98544	8.7
173.04495	4.7
182.99619	1.4
191.05554	16.7
206.99638	3.8
207.10133	2.4
223.13293	1.9
225.00691	21.9
243.01692	3.0
285.13736	1.4
295.22882	1.5
299.04407	4.4
342.18668	1.3
371.02118	1.3
377.64474	1.4
495.19098	3.2
498.85413	1.4
523.18512	100.0
524.18652	11.7
531.72095	1.3
593.26080	6.2
594.27014	2.0
611.27472	31.7
612.27295	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2836
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01234	1.7
61.83822	0.5
71.01244	0.7
71.31004	0.7
71.31339	1.1
74.50825	0.6
75.00730	1.5
78.95772	57.0
83.04882	0.5
93.03349	1.2
96.96836	10.8
113.09608	2.2
135.04413	1.2
152.99487	64.6
171.00500	1.4
173.04451	1.0
177.12721	0.6
191.05528	6.5
195.13823	16.6
204.49323	0.6
205.04622	0.6
223.00090	6.2
241.01141	24.2
242.01372	1.1
259.02151	1.0
277.21735	13.7
278.21957	0.8
293.21179	0.8
295.22775	58.1
296.23117	5.5
315.04858	9.6
333.05643	1.1
611.28314	100.0
612.28583	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	611.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85836	0.2
57.26567	0.2
59.01250	100.0
60.01591	0.9
61.98719	0.4
69.03364	0.2
69.31055	0.2
69.31395	1.9
71.01256	0.9
85.02821	0.4
87.00757	0.2
89.02325	0.5
93.03354	0.4
96.95889	0.3
101.02342	0.5
150.03142	0.4
150.80983	0.2
151.03851	0.2
160.01593	0.4
161.02280	0.2
161.04512	0.5
165.05457	0.4
179.03497	0.3
181.05074	0.2
191.05531	1.4
195.06627	0.7
209.08188	0.3
270.08838	1.0
274.66306	0.2
285.04160	0.2
285.11487	1.0
286.08627	0.3
298.08469	0.5
299.09180	1.2
301.10928	0.3
310.08560	0.3
311.09390	0.3
313.10938	0.3
314.08075	0.8
323.09366	0.3
324.10239	0.3
325.10983	0.2
326.07990	0.5
329.10291	2.8
330.10776	0.4
340.13031	0.4
341.10233	3.5
341.13641	0.3
342.10706	0.4
344.12573	5.2
345.13254	0.7
356.12671	1.9
357.13293	0.6
359.14993	13.9
360.15216	1.6
371.14996	9.3
371.19656	0.4
372.15292	1.0
399.14758	0.7
611.21375	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24577	1.3
59.01257	11.4
61.98679	2.7
67.01758	4.4
68.99653	2.3
69.03324	2.1
69.19206	13.7
71.01266	6.0
73.54038	1.3
81.03354	1.3
85.02831	6.5
87.00754	5.3
89.02340	1.5
93.03344	21.5
101.02313	4.0
109.02830	5.1
111.04412	4.7
113.02309	1.9
114.01855	1.3
117.03322	1.3
119.04884	1.5
121.02837	2.2
123.04415	1.3
127.03933	3.2
129.01814	1.6
133.02823	9.7
134.03635	17.0
135.04417	39.6
136.01509	1.4
137.01271	1.4
137.02341	22.7
137.03354	2.3
139.03915	2.1
139.11133	1.9
147.04396	1.8
148.05197	2.5
149.02348	1.3
150.03116	2.0
151.03813	1.8
155.03371	5.4
157.50250	1.4
160.01582	1.4
161.02316	11.8
162.03131	6.9
163.03902	2.3
164.01079	1.5
165.01839	100.0
165.05466	3.3
166.02213	4.1
172.05255	1.3
173.03087	2.2
173.04463	26.4
174.03159	1.5
174.04662	1.6
175.03903	11.5
177.01851	2.3
177.05490	1.6
178.02583	8.7
179.03418	53.0
180.04202	55.8
181.04727	3.9
183.10158	1.5
190.06302	2.6
190.99815	1.7
191.05536	99.9
192.04156	1.2
192.05824	5.9
194.05766	3.2
195.02898	2.5
195.06551	77.5
196.06912	4.3
203.10620	5.9
206.02066	1.6
208.03682	1.9
210.05243	12.4
213.09125	2.7
218.05728	3.9
222.05258	5.1
223.06042	1.5
225.07640	53.5
226.08083	2.3
229.08595	3.0
231.10196	5.8
237.05615	1.2
237.10435	1.3
238.06256	1.9
241.05241	1.4
253.04974	2.0
254.05675	2.4
257.08163	10.3
263.08157	1.6
265.09787	3.0
266.05743	3.0
275.09265	32.3
276.09485	4.7
277.05106	1.8
278.05829	4.8
279.02917	1.5
279.06198	1.4
280.03607	2.9
281.04504	4.9
281.07852	1.6
293.04596	1.8
295.06180	2.7
296.06586	2.0
306.05304	4.2
307.06268	1.5
309.04044	2.5
309.07401	1.9
310.04831	2.4
321.07629	10.1
322.04758	3.2
322.08328	2.6
323.09097	4.1
324.06564	2.4
324.09915	2.9
325.07089	9.5
335.07959	2.8
336.09961	5.6
337.07147	8.7
337.10855	4.0
339.08704	10.0
340.09402	8.3
341.10123	2.7
352.08893	2.8
353.08755	34.4
354.10913	5.3
355.11856	22.9
356.12177	4.2
367.11850	36.2
368.12299	3.7
380.12396	2.1
400.09961	2.7
419.11292	1.5
449.14493	53.6
449.20703	2.9
450.14911	9.0
503.13394	3.2
514.11255	2.8
518.15955	1.4
533.18225	16.7
534.18085	1.5
563.19263	26.9
564.19250	4.3
581.20001	15.3
582.20959	1.6
611.20874	15.4
611.31250	7.3
612.22253	9.7
612.31110	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	611.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95214	1.0
55.01755	1.1
57.03317	1.8
59.01255	1.8
64.73079	0.9
66.11885	1.0
67.01753	1.2
68.99706	1.8
69.03335	3.3
69.53928	3.4
69.54365	3.7
71.01254	4.3
71.04940	1.0
73.02823	1.9
77.11613	1.1
80.85281	0.9
81.03328	17.4
83.01249	15.1
85.02824	4.7
87.00784	1.1
93.03341	4.6
95.01263	4.5
95.04896	8.2
97.02827	12.1
98.20629	1.7
99.04401	8.0
99.55939	1.0
99.56634	1.0
107.04916	1.5
108.75294	0.9
109.02840	4.7
111.00752	1.1
111.04419	3.8
113.02314	1.9
117.03377	3.0
119.04898	2.2
121.02803	5.7
121.06456	2.0
123.00779	1.5
123.04405	32.6
124.01480	1.3
124.04874	1.2
125.02339	38.4
125.06002	2.0
126.02657	1.2
135.04430	6.2
137.02348	13.1
137.05988	4.3
139.00249	2.0
139.03902	5.5
147.04410	3.3
149.02312	2.9
149.05937	2.1
151.03908	7.2
153.05473	4.6
155.03387	1.9
161.02338	2.1
163.03925	3.2
165.01854	1.1
165.05498	4.9
166.02640	1.9
167.03409	54.7
168.03738	3.2
177.01886	4.4
177.05505	1.9
179.03427	13.0
181.04990	3.7
184.86385	1.1
191.03497	4.0
191.05539	17.3
192.05936	1.4
193.04947	1.6
197.04491	13.2
206.02078	1.2
209.04485	100.0
210.04857	4.3
221.04530	5.3
223.05968	1.2
235.09805	1.1
239.05563	66.1
240.05838	3.6
251.05579	4.9
269.06659	26.4
270.07083	1.4
277.03601	1.9
281.06760	3.5
311.07831	5.5
325.07013	1.3
329.08807	15.6
341.08838	6.2
351.35886	1.0
359.09796	4.2
371.07657	36.2
372.08176	3.5
383.07654	1.9
401.08765	23.9
402.09146	3.0
413.09430	1.2
431.09720	6.2
449.13168	8.3
473.10812	4.0
491.11923	16.1
492.12186	2.8
498.59122	1.2
503.12067	2.5
521.12885	2.8
611.16034	7.7
618.65491	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	610.3359
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	1.8
59.01252	29.9
61.98703	3.3
67.01785	0.7
69.03330	1.1
69.80128	3.0
71.01247	1.3
78.95779	14.0
80.96404	1.0
83.04903	0.9
85.02830	1.2
87.00742	1.1
93.03325	5.7
96.96851	1.0
97.06467	0.8
99.08046	2.5
110.24907	0.5
111.04340	1.1
111.08063	1.1
113.09596	3.1
123.08054	0.6
129.09094	5.4
133.02873	1.4
135.04399	6.2
137.02341	0.9
139.11218	0.6
141.09062	0.6
151.11182	1.1
152.99509	5.3
153.09135	0.8
153.12741	1.0
161.02347	2.6
162.03114	1.0
168.04193	3.3
169.12256	3.9
171.10162	0.8
173.04485	4.6
177.01854	0.7
178.02641	0.7
179.03426	3.8
181.12236	5.1
183.13808	2.8
191.05525	7.6
193.12257	1.8
197.11761	13.0
198.12065	0.6
199.13322	8.8
209.11794	1.0
211.13347	20.1
212.13585	1.1
224.06853	2.5
227.12880	0.8
242.07904	6.1
253.04601	0.6
265.21835	1.2
275.09244	4.2
275.20175	1.7
293.18048	0.8
293.21225	13.5
294.21500	1.1
311.22272	85.0
312.22589	8.2
325.23886	1.6
351.07144	1.2
352.07840	0.6
428.24826	0.5
429.10690	0.5
445.95895	0.5
449.14371	5.8
449.32574	0.6
465.22595	4.7
466.22537	0.6
536.29944	100.0
537.30255	15.5
610.25970	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.3358
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	1.9
59.01253	30.4
60.52677	0.6
60.53478	0.6
61.98697	1.8
67.01749	1.7
69.03330	1.6
69.19334	3.1
69.19761	4.0
71.01249	2.3
78.95776	16.0
79.95596	0.9
80.96384	3.3
81.03292	0.8
83.04899	1.5
85.02824	2.9
87.00758	3.0
93.03334	16.6
97.06452	2.5
99.08012	3.6
105.03340	1.1
108.02048	0.9
109.02844	1.3
111.00723	0.7
111.04401	2.5
113.09607	3.6
122.03603	0.7
123.08059	0.9
124.01574	1.6
125.02299	1.0
127.07529	1.1
128.03439	2.5
129.09108	6.4
133.02843	10.9
134.03633	26.0
135.04417	50.6
135.65106	0.7
135.92059	0.7
136.01619	0.9
137.02353	5.9
139.03868	1.4
139.11188	1.8
145.47316	0.7
146.04472	1.1
149.02289	0.9
150.03166	1.5
151.03932	4.8
151.11189	1.1
152.99504	7.0
155.03392	1.4
161.02365	9.9
164.98448	0.8
165.01703	0.8
165.12743	1.3
167.10649	1.2
168.04224	2.8
169.12263	3.4
171.10199	4.3
173.04472	15.2
175.03958	0.8
177.01851	2.0
178.02647	6.4
178.08600	0.8
179.03429	27.6
180.04112	1.1
181.08647	2.0
181.12212	5.4
183.13834	2.7
191.05550	17.6
192.05940	0.9
193.12288	2.5
197.11780	9.2
199.13402	4.4
209.07927	0.7
209.11905	1.0
211.13322	18.8
224.06894	1.9
225.00661	1.6
231.10222	1.0
242.07962	6.6
249.22200	1.1
257.08194	1.0
265.21506	1.2
269.77161	0.8
275.09262	21.7
275.20023	0.9
289.07425	0.9
291.19534	1.0
293.21207	17.4
294.21576	1.6
307.08243	2.6
308.08981	4.5
311.22278	92.0
312.22583	8.6
325.23627	1.3
334.06891	1.7
335.07709	1.0
351.07224	2.8
352.07974	17.0
353.08783	2.6
436.71112	0.8
449.14523	32.0
465.22583	3.7
470.12231	1.7
470.33664	0.8
514.11237	1.7
536.29932	100.0
537.30261	14.8
610.27606	3.2
611.27057	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	610.3363
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	3.8
59.01254	20.2
61.98689	0.7
69.03320	0.9
69.21029	2.9
69.21458	2.3
71.01265	0.6
71.04889	0.7
78.95777	30.4
84.26061	0.5
91.99454	0.5
93.03348	1.1
94.51802	0.5
95.96014	1.1
96.96837	5.1
97.06448	0.7
109.06488	0.5
113.09615	13.6
114.09945	0.5
114.48774	0.6
122.98409	2.4
125.00012	1.2
125.09594	0.8
135.04413	0.7
139.11174	1.2
139.38443	0.4
141.09114	0.6
146.03069	0.5
149.09607	0.8
151.01590	0.6
152.99496	19.4
167.10664	3.6
168.03075	0.6
168.04259	5.6
171.00548	1.4
171.10185	1.6
173.04469	0.8
177.12766	2.1
179.10701	2.0
179.14317	1.6
191.05551	3.6
195.13847	11.6
197.11731	0.6
205.12346	3.5
205.15944	0.6
212.57590	0.5
223.00290	0.5
223.13339	25.5
224.06851	4.1
224.13676	1.5
241.01143	1.4
242.07983	9.8
249.22258	1.5
275.20087	1.0
277.21689	1.7
293.21228	100.0
294.21594	8.8
295.22775	4.5
302.25439	0.5
307.22766	9.0
308.23032	0.9
311.22214	0.6
353.09021	0.5
375.15793	1.9
418.20126	0.6
420.21393	2.6
448.21024	10.3
449.22012	1.0
473.22977	0.8
518.28772	3.8
519.29645	1.5
536.29822	5.6
537.29919	1.0
604.94464	0.6
610.25800	0.7
611.28296	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	610.3359
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	2.9
59.00956	1.2
59.01248	22.2
61.98690	2.6
62.92344	0.6
69.03333	0.8
71.01247	2.2
71.50328	0.8
78.95776	59.6
80.96389	1.1
81.03304	0.6
83.04871	0.8
85.02837	1.0
85.06476	0.8
93.03339	2.3
94.48009	0.7
95.04945	0.6
95.96056	2.2
96.96835	4.6
97.06459	1.0
97.89922	0.7
111.95558	1.8
113.09615	8.4
122.52151	0.7
122.98439	2.5
124.99977	2.4
125.09599	1.0
135.04416	3.2
139.11201	1.2
152.01117	1.0
152.99498	18.0
167.10687	3.3
168.04216	12.7
170.33434	0.7
171.00473	1.2
171.10231	1.4
173.04472	1.8
177.12813	1.6
178.02621	0.8
179.01105	1.9
179.03354	1.9
179.10689	2.2
179.14351	2.1
185.11766	2.1
191.05556	8.5
193.12350	0.8
194.05775	1.7
195.13828	14.0
196.14195	0.9
205.12254	3.1
223.13356	24.3
224.06906	17.4
224.13747	1.6
225.07181	0.9
242.07951	8.6
249.22115	1.3
275.20288	1.0
293.21228	100.0
294.21512	8.6
295.22760	3.7
307.22815	6.7
311.22095	1.2
375.15723	2.2
420.21558	3.4
447.21350	2.0
448.21063	12.0
518.28967	11.6
519.29498	1.7
523.18286	2.1
536.29926	5.8
610.29382	1.6
611.28552	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	609.4127
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76427	0.4
57.03331	0.4
57.65506	0.4
59.01249	0.7
64.49882	0.4
71.06623	1.1
78.95805	1.0
79.71618	0.5
80.96407	0.7
93.03341	0.7
95.04903	34.0
96.05287	1.0
111.08096	0.6
116.92683	0.5
150.02905	1.3
151.11255	0.4
152.99605	0.6
167.10648	0.6
171.10329	0.6
179.14362	1.2
189.05292	1.1
191.05507	3.0
195.13849	10.3
196.14468	1.4
205.12268	1.0
205.15933	1.1
211.13368	1.0
223.13370	8.6
224.13631	0.6
228.13492	0.7
246.12325	10.3
247.12546	0.6
256.13217	1.2
265.21823	0.6
275.20190	3.8
276.20425	0.6
278.11356	67.9
279.11664	3.9
285.04196	0.6
293.21228	100.0
294.18320	0.6
294.21582	10.5
315.19406	24.0
316.19800	1.9
359.18219	0.7
374.64697	0.4
548.22437	0.5
572.31854	2.0
609.16083	0.6
609.41266	9.3
610.27673	0.8
610.41504	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	609.313
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	1.9
57.03311	2.6
58.00461	3.1
59.01249	58.2
61.98383	1.7
61.98699	33.2
67.01757	2.3
68.99665	1.1
69.03307	3.6
71.01250	63.9
71.50833	1.6
72.99176	5.2
73.02813	12.2
75.00742	1.7
77.14333	1.0
78.95766	2.0
81.03329	1.5
82.53368	0.9
83.01270	5.4
85.02821	21.1
87.00751	11.1
88.98687	1.7
89.02315	49.3
92.06842	0.8
92.60087	1.0
93.03324	9.2
95.01259	2.7
96.95885	3.3
96.96813	1.1
97.02861	2.2
99.00753	4.6
99.92439	2.2
101.02318	35.0
109.02828	2.3
111.00768	5.1
111.04373	2.1
113.02335	12.8
115.03925	1.5
116.92740	29.4
117.01817	1.6
117.92847	2.1
119.03352	4.6
119.04852	1.6
119.96922	1.0
121.02827	1.2
123.04357	1.1
125.02341	6.8
125.53831	0.9
127.03867	1.2
129.01796	1.5
131.03401	17.3
132.13753	1.0
133.02824	1.3
135.04381	3.0
136.01674	1.0
137.02322	1.7
143.03375	3.2
149.02386	1.5
149.04466	21.7
150.03113	1.1
150.59622	0.9
151.00221	1.0
155.03419	2.3
161.02359	1.2
161.04434	5.6
162.76810	1.0
163.03897	1.5
165.05463	3.8
173.04510	6.7
174.02980	1.1
175.04031	0.9
177.50058	1.0
179.03476	2.6
179.05508	1.1
191.05539	57.3
192.05865	2.2
211.13358	2.5
233.06653	4.5
249.07922	1.0
261.04114	4.5
271.09729	1.1
284.03085	1.4
285.03979	2.5
293.08765	3.9
399.23752	2.4
417.24960	21.3
418.24979	2.6
435.09552	1.3
487.16101	3.2
517.20740	6.3
549.29120	100.0
550.29517	19.1
561.21503	1.2
609.15106	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	609.2687
Annotation	Scortechinone P
Peak:m/z	Relative Intensity
51.43647	0.4
54.41647	0.4
57.03310	0.5
59.01256	2.5
59.96843	0.4
60.70261	0.4
61.98698	2.2
62.96260	0.5
69.03316	0.9
71.01253	1.2
71.04893	0.7
78.95779	59.3
79.95595	0.5
80.96384	2.2
81.03345	0.4
82.95957	0.8
85.02811	1.3
87.00751	0.5
93.03335	3.4
94.97972	0.7
96.96845	11.9
98.20551	1.3
101.02303	0.5
109.02871	0.6
111.08028	0.5
113.09610	0.5
135.04399	1.0
150.97952	1.2
152.99495	69.5
153.99870	1.0
157.43634	0.4
162.05379	0.4
171.00552	1.9
171.10187	1.0
173.04466	1.7
179.03384	0.5
179.14406	0.7
187.03848	0.5
191.05527	10.2
191.07147	0.7
195.13850	8.2
196.14384	0.7
205.12289	1.0
209.11827	0.7
211.13382	0.9
223.00076	6.0
223.13348	5.1
225.00754	0.6
228.13591	0.6
241.01172	23.4
242.01395	0.8
251.16571	0.6
256.13095	0.6
259.02280	1.5
275.20105	4.4
293.21237	37.4
294.21585	3.6
315.04858	11.1
316.04675	0.5
333.05780	1.2
511.19116	0.5
536.29895	0.6
591.24261	0.8
609.26746	100.0
610.27112	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	609.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03292	0.6
58.21739	0.4
59.01244	3.2
61.98700	9.7
63.96111	1.5
67.01772	0.8
68.99682	0.4
69.03323	1.3
69.16671	4.4
71.01249	8.1
72.99168	0.7
73.02810	1.9
78.95779	1.4
78.98463	6.2
79.95127	0.4
79.95202	0.2
79.95599	11.0
80.96387	71.1
81.03339	1.2
83.01258	0.7
83.04890	0.4
83.20756	0.3
85.02810	3.9
87.00755	4.8
89.02312	0.8
93.03333	4.8
94.97954	16.7
95.01273	0.6
95.04852	0.6
96.95881	1.4
97.02827	2.0
98.19798	1.0
99.00753	0.9
101.02316	3.9
103.64388	0.4
106.97948	2.7
109.02851	0.5
111.00865	0.4
111.04401	1.2
111.08021	0.7
113.02335	1.0
121.02838	1.0
122.97453	6.4
123.04454	0.8
125.02359	3.2
127.03902	1.4
129.01773	0.5
133.02856	1.5
134.97470	4.4
135.04428	2.0
136.99062	1.9
137.02339	0.7
139.00279	0.5
148.99036	6.2
152.98523	8.4
161.02338	0.7
164.98538	12.9
167.00121	0.5
171.10222	0.6
173.04510	3.4
177.01799	0.5
179.03421	0.7
179.10675	0.9
181.08601	0.7
182.99641	2.6
191.05528	11.0
192.05901	0.8
197.11787	2.0
198.12109	0.5
206.99619	3.5
208.42343	0.4
209.11699	1.4
211.13339	0.7
215.07175	0.5
219.10178	0.4
223.09726	0.5
225.00682	20.5
234.90340	0.3
243.01614	1.7
253.26060	0.5
281.84625	0.4
285.04086	1.0
299.04453	2.4
309.20837	0.5
311.21918	0.4
361.38925	0.5
476.09689	0.5
535.28711	0.9
609.25787	100.0
610.26093	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	609.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52385	0.7
59.01251	4.3
59.71000	0.7
61.98705	4.2
69.33133	0.6
71.01252	2.2
71.50897	1.3
71.94821	0.7
73.02847	1.0
78.95779	57.2
80.96382	4.2
82.95963	1.7
84.14685	0.9
85.02829	2.7
87.00765	2.0
93.03343	7.3
94.97945	1.1
96.95913	0.8
96.96846	10.6
101.02341	0.9
109.06432	0.8
111.04396	1.5
125.02374	0.7
125.09636	0.7
128.23573	0.7
131.25528	0.8
133.02844	1.6
135.04424	2.1
137.02364	1.2
138.38667	0.7
150.97975	1.5
152.99498	68.5
153.99829	1.2
161.02336	1.3
163.79370	0.8
171.00583	1.4
173.04553	4.4
173.05797	1.0
179.03436	1.3
183.13835	5.3
191.05548	20.3
192.05846	1.5
195.13852	7.1
196.14474	0.7
205.15991	1.0
209.11783	2.1
211.13374	2.8
223.00122	7.7
223.13382	5.1
241.01147	23.9
242.01645	1.1
259.02252	1.5
275.20203	3.9
276.20230	0.7
283.13339	0.7
285.03946	1.8
293.21231	39.2
294.21698	3.7
300.02719	1.0
306.65103	0.7
315.04883	12.0
333.05911	1.2
372.16367	0.7
373.19873	0.8
377.29639	0.8
399.17865	1.3
400.18600	0.7
405.27463	1.0
591.24506	1.2
609.26727	100.0
610.27020	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	609.2575
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87757	0.7
51.96185	0.9
57.03311	2.2
59.01251	5.2
59.86991	0.8
61.98709	2.2
63.96103	1.0
69.03313	1.5
69.73058	6.2
71.01248	7.1
73.02820	3.2
75.00745	1.0
78.91716	1.0
78.95775	21.6
78.98458	6.0
79.95605	54.2
80.96388	71.5
81.03313	1.5
85.02818	4.7
87.00751	3.8
93.03328	2.6
94.97958	17.0
96.95883	1.7
96.96834	4.2
97.02798	2.1
97.06495	1.1
101.02310	3.4
106.97958	5.2
111.94633	1.9
113.02364	1.4
113.09635	4.6
113.10294	0.9
122.97448	6.1
125.02322	3.6
125.48899	0.8
127.03947	1.3
134.97481	5.7
135.04393	1.3
136.99037	2.4
148.99023	5.8
152.98471	6.5
152.99490	23.7
164.98546	11.8
167.10637	1.1
168.05759	0.9
173.04419	1.8
179.10634	1.3
182.99570	2.1
191.05547	10.6
195.13824	2.7
206.99617	5.4
209.11789	3.8
210.12077	1.9
211.13319	1.0
223.00018	2.2
223.13315	2.4
224.29951	0.9
224.58148	0.9
225.00694	32.6
241.01266	7.7
242.96886	1.0
243.01778	3.1
248.78186	1.0
249.22314	1.1
293.21191	18.6
294.21628	1.1
299.04373	5.9
310.21106	0.8
315.04550	3.5
371.06424	1.0
385.08212	1.3
399.09427	1.5
427.12311	1.3
473.85196	0.9
483.15228	1.0
514.17175	3.5
523.18500	100.0
524.18842	14.4
535.28522	3.6
563.21588	1.4
576.11987	1.0
591.24365	9.2
592.25256	1.7
609.26172	64.4
610.26569	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	609.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21373	0.4
53.65790	0.4
59.01251	100.0
60.01598	0.8
62.89222	0.5
65.00198	0.6
67.01765	0.4
71.01250	1.5
71.51119	0.7
73.02842	0.4
81.30641	0.4
83.01253	0.5
85.02818	2.9
87.00760	1.6
88.98668	0.4
93.03339	2.7
96.95924	0.4
101.02303	0.7
107.01264	1.0
113.02365	0.5
121.02866	0.5
125.02367	1.0
127.03921	0.8
133.02881	0.8
135.04465	2.1
136.98650	0.4
147.04359	0.8
148.01447	0.5
149.02356	1.1
149.17421	0.4
151.00256	2.6
155.03474	0.5
161.02373	0.5
163.03922	0.5
173.04465	2.3
175.03888	0.9
179.03467	0.7
187.03979	0.9
191.05537	21.7
192.05832	1.1
201.05545	0.5
215.03334	0.5
215.06964	0.4
219.03012	0.9
227.03348	0.5
229.05106	0.7
233.04628	0.5
243.02846	1.0
255.02924	1.5
257.04431	0.6
261.03851	0.4
265.04984	0.9
268.07245	0.7
271.02435	1.6
272.02914	1.0
283.02255	0.7
283.09741	1.0
284.03015	0.8
285.04163	2.3
295.05911	0.4
299.01822	0.6
300.02740	7.6
301.03497	7.5
302.03723	0.6
308.06885	1.1
312.06250	0.8
323.09262	1.7
324.06342	0.6
324.10040	0.9
327.08841	2.8
338.11566	0.7
339.08707	4.7
340.08801	0.8
342.11044	3.1
343.11545	0.7
353.08914	0.6
354.11099	1.6
357.13455	11.5
358.13776	1.3
359.14832	0.5
369.13397	12.4
370.13654	1.5
435.10739	0.5
447.09338	0.6
503.85300	0.5
609.14636	18.2
610.14972	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	609.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99436	0.7
57.03329	0.9
59.01251	14.2
60.99165	1.0
61.98692	6.2
65.03821	3.0
65.91647	0.8
67.01752	2.9
68.99690	4.7
69.03344	5.4
71.01251	12.1
71.51284	1.1
72.99178	11.5
73.02816	2.1
78.59828	0.7
78.95751	0.9
83.01240	1.1
83.04859	1.1
85.02824	9.6
87.00764	5.1
89.02320	8.8
91.05436	1.1
93.03331	28.0
94.03670	1.3
95.01281	0.9
95.04913	1.1
96.95884	1.3
99.00748	1.2
99.04399	1.0
101.02324	16.0
107.04905	0.9
109.02837	1.4
111.04381	2.2
111.15294	0.9
112.07658	0.9
113.02319	4.5
119.03389	2.1
119.04913	11.8
121.02850	32.9
121.06484	18.9
123.04406	2.6
123.80571	0.9
125.02335	0.8
127.03863	3.0
129.42375	0.7
131.03375	0.9
133.02835	2.2
134.03635	1.0
135.04410	9.1
137.02342	4.2
141.85883	0.8
143.03500	1.2
147.04419	39.7
148.04739	2.2
149.02353	3.0
149.04355	1.0
149.06030	1.1
150.03105	1.8
151.03885	1.6
153.05481	47.7
154.05843	2.1
155.03362	1.5
155.10661	1.4
158.03552	0.8
159.04395	1.3
160.01608	0.9
161.02278	3.5
161.04437	1.1
161.06172	0.8
163.03893	1.4
165.05482	100.0
166.05829	4.2
172.05257	1.0
173.04445	7.2
173.05971	4.2
177.01785	0.8
179.03441	9.2
179.05092	1.2
179.05351	1.0
185.05957	1.5
187.03940	2.2
191.05540	59.8
192.05809	2.5
197.04498	8.9
209.11578	0.8
211.13326	7.0
217.05074	0.8
229.08601	1.1
271.02136	1.2
272.02853	0.9
281.10211	1.6
285.03967	2.2
295.13327	1.3
299.11087	1.4
301.14557	1.0
331.15402	1.8
341.13965	1.0
345.09921	5.8
353.08762	3.6
353.12494	1.1
354.09113	0.9
359.09900	3.8
359.14795	1.2
360.10266	1.2
385.13168	1.6
391.17627	0.9
397.13455	1.7
415.14273	2.2
417.15491	1.7
429.14133	7.1
461.16711	38.9
462.17163	4.9
505.33548	1.7
549.29303	3.9
577.19305	3.4
593.23517	0.9
609.21869	27.6
610.22089	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	609.146
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62059	0.5
59.01251	2.5
62.26701	0.4
62.99170	0.4
68.99693	0.9
69.20555	1.7
69.20984	2.8
71.01264	2.2
73.02786	0.4
75.00775	0.6
79.01776	0.4
83.01292	0.5
87.00743	1.0
88.98711	0.5
89.02312	1.7
93.03356	0.7
95.01254	0.9
98.20592	0.9
101.02312	4.1
107.01327	0.5
113.02324	0.9
119.03378	0.8
123.04384	2.3
133.02835	1.8
149.02353	1.1
151.00296	2.1
153.05463	0.6
155.03395	3.9
161.04445	0.7
165.02055	1.1
175.03940	1.0
179.05499	3.7
180.04202	0.6
181.04855	0.5
189.01965	0.4
191.05592	2.3
195.06554	0.9
199.03914	1.0
200.00958	0.5
211.03934	0.5
221.06572	1.1
222.20654	0.4
225.07700	2.2
255.03035	0.6
256.03702	1.4
283.02499	0.5
284.03250	31.9
285.04019	78.5
286.04358	5.6
327.05090	1.0
337.09384	0.8
447.09296	100.0
448.09619	10.6
527.96869	0.5
549.18280	0.8
549.26941	0.4
609.14404	4.7
610.15051	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	6.4
61.98685	4.0
63.02248	2.2
65.00193	6.9
67.01753	3.8
69.30169	12.9
71.01241	6.2
72.99180	3.2
73.02805	1.4
83.01238	5.8
85.02811	7.2
87.00735	6.3
89.02320	1.7
93.03336	14.2
95.01247	3.3
96.95758	1.6
98.19810	2.8
99.00707	1.6
101.02282	1.7
101.17286	1.3
105.01823	1.9
107.01278	10.0
109.02840	3.3
111.00755	9.2
111.04400	2.0
111.52373	1.2
112.38688	1.7
113.02330	1.6
117.03355	1.6
121.02880	2.7
123.00779	2.1
125.02343	6.6
127.03883	3.1
133.02814	2.6
135.00702	1.5
135.04390	5.0
137.02338	5.0
139.00287	20.4
147.02991	1.5
147.04254	1.3
148.01465	1.2
149.02312	7.2
151.00282	47.4
152.00937	2.5
153.01846	27.7
155.10667	3.4
159.04405	1.5
161.02357	6.6
163.00256	7.9
164.00975	1.6
165.01764	3.1
169.01308	2.4
173.04393	3.7
177.01767	4.6
178.99792	14.7
179.03354	3.2
180.00571	1.7
181.01335	8.4
183.04536	1.4
187.03947	1.8
190.02658	1.4
191.03732	3.0
191.05542	55.0
192.00555	11.1
192.05872	2.5
193.01361	15.6
195.02950	1.5
199.03833	1.9
199.09604	1.9
200.04601	1.8
206.99301	15.2
207.02991	1.7
208.00002	2.3
211.03922	1.4
215.03462	2.1
216.04076	2.6
217.04860	1.9
227.03365	4.6
228.04169	2.5
229.05025	3.7
231.02917	2.5
233.04277	1.5
239.03436	1.5
243.02872	2.8
245.04739	1.8
255.02905	9.6
256.03647	5.4
257.04605	9.9
268.03754	3.7
269.04559	3.6
271.02542	6.9
272.03006	4.8
273.04007	2.5
283.02478	17.5
284.03030	5.9
285.03891	9.9
286.03717	1.7
299.02094	3.4
299.05563	5.4
300.02759	75.7
300.05835	5.3
301.03467	53.9
301.06213	3.0
302.03796	5.0
314.03986	1.5
315.05109	33.5
316.05521	2.8
343.04395	2.5
409.60104	1.5
421.11368	1.5
429.17810	2.6
432.61902	1.5
447.11212	4.4
447.18671	3.3
459.11542	7.8
461.13211	1.6
463.08347	1.5
470.12802	1.6
487.10938	4.9
489.06897	1.7
489.12601	18.3
495.09219	1.5
501.12616	14.1
516.11206	4.4
541.12018	1.4
581.14984	1.8
599.67621	1.7
609.14581	100.0
610.14844	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69503	0.3
59.01240	1.9
63.02269	0.4
65.91380	0.3
68.99677	0.8
69.03328	0.5
69.70244	0.6
69.70652	1.4
73.02802	0.4
75.49764	0.3
81.03353	0.3
85.02834	0.6
86.22489	0.3
87.00754	0.8
89.02308	1.3
95.01261	0.9
101.02325	2.4
107.01260	1.1
111.00732	0.4
111.04372	0.3
113.02291	0.4
119.03349	0.5
121.02809	0.4
121.42313	0.3
123.04417	1.7
133.02814	2.5
149.02336	1.1
151.00284	2.8
155.03418	2.1
165.01880	1.0
175.03961	1.7
179.03468	0.4
179.05511	1.0
180.04193	0.5
181.04927	0.6
191.05551	2.9
195.06592	0.4
198.03163	0.3
199.03947	1.4
201.01894	0.5
211.03925	0.4
215.03342	0.4
217.05011	0.4
221.06569	0.6
225.07599	0.4
227.03401	0.4
233.04384	0.3
241.04990	0.5
242.36275	0.3
243.02965	0.5
255.03036	1.6
256.03769	2.4
267.03006	0.5
281.04446	0.4
283.02444	0.8
284.03250	42.4
285.04019	100.0
286.04391	7.8
296.59940	0.3
297.04007	0.4
299.05234	0.5
327.04984	1.5
374.04224	0.3
447.09293	79.1
448.09604	9.1
488.23886	0.3
491.15735	0.6
609.14642	3.0
610.15155	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01202	1.4
63.02264	1.2
69.58300	2.2
69.58701	5.5
73.14597	1.2
73.26409	1.2
80.93507	1.3
107.01277	3.2
108.01983	1.5
109.02822	2.2
110.01368	1.3
113.57174	1.3
121.02850	4.0
127.81343	1.2
135.00716	1.9
151.00273	14.3
163.00270	2.1
178.99815	8.4
191.05518	6.1
227.03459	3.5
243.02936	10.5
254.02226	2.1
255.02968	26.4
256.03464	1.5
264.94077	1.3
271.02466	60.2
272.03046	6.8
299.02100	2.1
300.02734	97.3
301.03476	43.5
302.03738	2.4
378.79907	1.4
504.39383	1.4
505.03864	1.4
609.14594	100.0
610.14777	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	609.146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	0.6
63.02262	1.1
65.00205	0.7
69.03328	0.5
71.01250	0.6
78.74845	0.2
83.01273	0.7
85.02821	0.5
87.00751	0.4
89.02313	0.6
91.15471	0.2
93.03332	0.6
96.95882	0.3
97.02818	0.3
101.02332	0.7
101.89606	0.2
105.03346	0.5
107.01249	1.7
108.83179	0.2
109.02836	0.8
121.02840	0.5
123.04401	0.4
133.02835	4.9
134.03589	0.3
135.04411	0.3
137.02338	0.3
140.45807	0.2
147.04407	0.3
147.55254	0.2
149.02341	1.3
151.00275	3.6
151.01376	0.3
155.03401	0.6
159.04503	0.2
171.04446	0.4
173.04510	0.5
175.03882	2.3
177.01880	0.4
179.05495	0.4
185.05991	0.5
187.03897	0.2
189.05437	0.3
191.05540	4.0
191.07169	0.4
192.05881	0.4
197.05978	0.4
198.03079	0.2
199.03905	1.7
201.01869	0.5
211.03897	0.3
213.05481	0.5
215.03413	0.5
217.05037	1.3
217.85095	0.2
227.03450	0.4
228.72273	0.2
229.04971	0.3
233.04578	0.3
241.05014	0.7
243.02882	0.5
255.02969	0.6
256.03555	1.1
257.04501	0.5
267.02869	0.3
283.02515	0.3
283.99982	0.4
284.03244	9.9
285.04028	100.0
286.04398	8.0
327.05045	0.3
392.51614	0.2
429.13434	0.2
447.09055	0.5
499.74246	0.2
609.14545	42.3
610.14893	6.5
626.05530	0.2
630.86481	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
58.76123	1.1
58.94591	1.0
59.10410	0.9
64.19537	1.0
69.49204	4.9
69.49626	3.2
77.28433	1.0
85.02845	1.1
93.03277	1.1
98.20527	2.3
107.01290	2.2
108.02041	2.0
109.02844	1.4
121.02795	1.8
143.60263	1.0
148.01677	1.1
151.00261	14.3
163.00256	2.0
178.99799	8.7
191.05577	6.6
226.02725	1.3
227.03423	2.8
243.02977	9.2
245.04469	1.4
255.02997	26.0
256.03424	2.8
271.02478	58.6
272.02902	5.6
283.02423	1.8
299.01974	1.6
300.02756	97.3
301.03482	43.8
302.03857	3.3
609.14587	100.0
610.14990	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	607.2432
Annotation	Tiliasine
Peak:m/z	Relative Intensity
54.31464	0.5
59.01233	1.1
61.98706	0.5
63.96090	0.9
69.03317	0.7
69.51855	3.9
71.01248	5.9
73.02808	1.3
75.00740	0.9
78.95776	2.8
78.98461	5.9
79.95606	14.1
80.96387	59.7
81.03305	0.7
82.30901	0.5
83.04813	0.4
85.02810	3.0
87.00742	2.6
87.78310	0.4
93.03362	0.8
94.97961	13.8
96.95823	1.2
97.02812	1.8
98.19811	1.1
101.02341	2.3
106.97307	0.6
106.97937	2.6
108.02023	0.5
109.13498	0.5
111.39635	0.5
122.97459	5.3
125.02343	2.4
127.03880	1.5
134.97473	4.5
135.04410	0.7
136.55537	0.4
136.99031	1.0
148.99042	6.7
152.98485	5.9
152.99684	2.4
160.86238	0.5
164.98535	9.7
173.04382	0.7
182.97702	0.4
182.99541	2.6
191.05540	3.0
206.99638	2.9
211.13246	0.6
225.00682	16.2
241.01183	1.0
243.01845	1.0
284.03381	0.6
291.19644	1.5
299.04507	2.4
395.15030	0.7
427.12427	0.6
449.85834	0.5
466.39682	0.6
607.24298	100.0
608.24646	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	608.3204
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39955	1.2
52.60163	1.2
53.42564	1.1
57.03316	1.9
59.01250	34.5
61.98696	12.8
67.01787	2.0
69.03334	2.7
71.01256	3.4
71.31075	2.4
78.95779	24.7
79.95605	1.6
80.96401	2.7
81.03349	4.1
83.01248	5.1
83.04898	5.0
85.02839	2.7
93.03348	7.8
93.68367	1.4
95.04905	3.4
96.96821	2.0
97.02877	1.2
97.06478	2.8
122.98470	1.5
123.04411	1.9
123.07998	2.0
125.02352	1.9
125.05921	1.9
125.09595	7.5
125.68878	1.4
127.11230	1.2
135.04448	2.0
137.09586	1.8
139.11192	4.5
151.11139	1.6
152.99492	10.6
163.11220	4.8
165.12773	11.6
167.10649	3.4
168.04198	5.6
171.10220	1.2
173.04498	4.4
179.14281	1.3
181.12263	4.4
183.13904	1.8
191.05544	13.0
191.10718	4.3
192.05846	1.9
193.15910	3.6
207.10196	1.6
209.11768	51.2
210.12039	2.9
211.13300	2.1
223.13370	3.3
224.06926	1.7
241.00902	1.5
242.07925	8.7
247.20569	11.1
249.08604	1.2
265.21735	1.6
273.18698	2.7
284.03259	1.8
291.19672	45.3
292.20010	5.1
305.21146	1.8
309.20712	53.4
310.21060	5.2
323.22241	10.9
324.22849	1.3
489.22284	1.9
534.28345	100.0
535.28650	14.7
540.56232	1.3
548.30060	7.5
608.25330	4.2
609.27332	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	607.188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	1.9
57.40840	1.9
58.00449	2.6
59.01250	58.6
67.01770	10.3
68.99684	42.1
69.03323	33.3
69.47089	7.5
69.47519	7.2
71.01248	40.6
72.65479	1.6
72.99172	6.2
73.02802	4.7
75.00739	7.7
81.03336	2.6
83.01256	3.1
85.02818	12.2
87.00752	40.0
89.02322	38.3
93.03342	15.4
94.98812	1.9
95.01243	3.5
95.04892	5.9
97.02817	5.3
99.00749	5.3
101.02316	100.0
102.02634	2.5
106.15524	2.0
107.04866	7.8
108.02045	2.1
109.02824	10.3
111.00771	2.3
111.04376	6.7
113.02348	13.1
119.03373	14.1
119.04887	16.7
121.02839	19.3
121.06483	1.7
123.04364	11.2
125.02309	5.3
125.05925	2.3
127.03905	26.2
133.02878	2.7
135.04385	13.7
137.02324	6.1
137.05983	5.4
139.03874	3.1
143.03458	1.9
145.02824	3.4
145.06467	2.0
147.04425	11.4
149.02328	14.7
149.06006	6.3
151.03903	17.1
153.01880	1.9
153.05521	9.4
159.04407	3.5
161.04500	3.4
161.05960	2.5
163.03908	35.2
164.04478	1.9
165.05492	9.5
167.03297	2.7
167.34258	1.9
173.02353	2.8
173.05988	6.6
175.03891	4.6
177.01807	7.6
177.05466	9.8
179.03375	6.4
179.05469	5.2
179.06952	2.5
181.04977	15.9
183.06529	2.9
189.01831	2.9
189.05544	3.8
189.09045	2.7
191.03447	24.6
191.05255	4.1
191.07089	7.8
193.04947	7.5
195.06548	26.6
203.03424	5.6
203.07005	4.3
205.05025	9.5
207.02911	5.7
207.06506	4.7
209.04515	5.0
211.06000	2.8
213.07631	1.9
215.07072	2.4
217.04970	8.8
219.06548	2.5
219.81273	1.9
221.04457	4.2
223.06047	26.5
225.07523	3.5
235.02419	3.8
235.05986	10.8
241.06839	2.7
245.04472	3.2
248.56606	2.2
253.07066	2.9
259.05948	3.3
267.05032	18.5
275.09271	2.8
276.92484	2.2
277.07193	2.2
278.27652	2.2
287.09161	2.4
293.10229	5.1
295.08200	4.0
295.11929	2.2
305.10202	2.9
376.31750	1.9
423.13116	2.4
427.12305	4.0
455.15201	2.8
457.13434	5.6
459.15305	3.9
485.16592	3.6
487.14337	16.0
495.15237	2.8
499.14526	87.2
500.15195	11.2
511.14374	3.5
513.16174	4.9
517.15649	48.6
518.16138	5.2
529.15503	20.6
547.16724	9.2
548.17365	2.8
553.15796	2.7
571.16766	4.6
589.17444	9.7
607.18787	54.9
608.18652	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	607.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	3.6
57.03305	3.3
58.00484	3.2
59.01252	67.6
61.19358	2.7
62.76120	3.2
67.01755	8.1
68.99691	56.7
69.03321	33.8
70.52375	8.6
71.01257	38.2
72.99168	6.4
73.02816	5.9
75.00744	5.6
81.03399	3.6
81.13457	2.9
83.01263	3.5
85.02836	13.9
87.00749	28.9
87.39143	3.1
89.02316	30.2
93.03330	20.2
95.01239	4.7
95.04910	11.8
97.02832	7.3
99.00761	5.8
99.03673	2.8
99.04356	5.2
101.02321	100.0
107.04907	12.1
109.02818	14.2
111.04368	7.4
113.02318	13.7
119.03444	13.2
119.04897	25.6
121.02844	25.4
123.04386	16.9
127.00308	3.1
127.03893	31.8
133.02782	4.1
135.04436	18.7
137.02382	4.1
137.05988	4.7
138.31090	2.6
139.03940	3.6
143.03424	3.1
145.02835	7.8
147.04402	11.7
149.02341	8.3
149.06018	6.0
151.03909	16.5
153.05457	8.7
159.04362	4.8
161.02423	5.8
163.03918	55.2
163.07576	3.9
165.05466	10.1
173.05992	5.3
175.03918	6.5
175.07497	3.2
177.01955	4.4
177.05493	12.2
179.03311	4.0
179.05531	4.0
181.04979	16.3
189.01894	5.6
189.05472	4.6
191.03432	34.1
191.07037	7.8
193.04962	6.4
195.06584	30.3
201.05486	3.1
203.03476	7.2
203.07222	3.5
205.04916	9.5
207.02882	7.2
209.04489	5.9
211.05966	3.0
217.04987	7.9
221.04405	4.3
223.06084	24.4
233.08069	3.9
235.02345	6.0
235.06067	6.8
267.05023	15.3
293.10162	3.8
457.13550	5.6
467.12094	3.1
487.14609	8.7
499.14584	99.7
500.14771	13.0
517.15741	30.2
518.15668	5.1
529.15503	11.7
547.16608	5.2
551.21454	3.3
553.15796	3.6
586.26129	3.3
589.17749	5.2
607.18793	42.9
608.19147	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	607.1666
Annotation	Diosmin 
Peak:m/z	Relative Intensity
55.97835	0.4
59.01236	0.7
66.26857	0.5
77.98578	0.5
80.35051	0.4
102.52701	0.4
107.01257	0.9
111.36784	0.4
119.23934	0.5
134.49052	0.5
140.78011	0.5
151.00237	1.5
174.68062	0.5
183.66103	0.5
205.04123	0.4
205.78915	0.4
227.03407	1.1
229.71307	0.4
255.02957	43.5
256.03485	5.9
260.81400	0.5
268.03711	1.2
269.04553	4.6
281.04654	0.8
283.02444	18.0
284.03235	80.3
285.03772	11.2
297.04041	13.8
297.06827	0.3
298.04776	9.3
299.05585	100.0
300.02515	0.6
300.05917	8.9
313.03766	0.9
341.06836	0.9
358.82440	0.5
393.00522	0.5
607.16650	69.6
608.16974	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	605.3825
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55661	0.4
57.56723	0.4
59.01251	1.0
60.99176	2.1
61.91201	0.4
61.98723	0.5
63.18946	0.3
71.51049	0.9
73.82262	0.4
78.95803	1.9
87.00762	3.6
88.00283	2.9
88.98681	15.7
89.02326	3.4
93.03340	4.5
121.08900	0.4
148.08873	1.6
150.10391	1.2
151.11166	0.9
152.95259	0.3
152.99495	1.3
163.11247	1.1
165.12767	27.0
166.13078	1.2
175.11215	0.7
176.11986	0.6
178.92453	0.4
179.14304	0.5
180.33832	0.4
187.03687	0.4
191.05556	1.3
191.14363	0.8
193.12361	0.5
199.31421	0.4
217.15884	0.6
241.61473	0.5
244.10812	7.1
245.11270	0.6
245.19156	0.4
246.67638	0.4
247.20663	13.9
248.20955	1.3
255.17343	0.5
273.18631	7.0
274.18848	0.6
277.21719	0.8
291.19672	100.0
292.20001	8.6
313.17862	24.7
314.18237	1.7
317.50690	0.4
360.65210	0.4
529.48462	0.4
605.38226	32.1
606.38623	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	605.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78011	0.5
55.01752	0.7
57.03315	1.0
58.00456	1.4
59.01249	53.7
60.01596	0.6
61.98698	26.8
66.74285	0.5
69.03341	1.2
71.01250	23.6
71.51283	1.0
72.01596	0.6
72.99168	1.9
73.02820	4.9
75.00748	1.9
78.95781	7.1
81.03333	0.8
83.00735	0.5
83.01259	2.4
83.02853	0.6
85.02824	6.6
85.99951	0.8
87.00741	7.5
89.02314	22.8
92.65839	0.6
93.03341	2.0
95.01271	0.9
96.95885	16.1
96.96865	2.0
97.02809	1.1
99.00780	0.8
101.02324	14.3
102.02682	0.7
110.35487	0.5
111.00759	1.5
113.02333	4.4
119.03392	2.2
125.02335	1.4
131.03394	20.6
134.03607	0.7
135.04404	1.2
149.04456	8.0
152.99463	1.3
165.26053	0.6
171.10168	1.0
173.04500	2.4
191.05528	19.5
192.05917	1.2
197.11987	0.6
209.11842	0.6
256.03616	0.6
283.02383	0.9
293.04834	0.7
294.91522	0.6
426.46414	0.6
537.14612	0.6
545.29602	1.1
574.04352	0.6
587.30676	4.0
588.31201	1.1
605.31787	100.0
606.32111	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	605.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12304	0.7
54.67336	0.8
54.80176	0.7
55.01754	0.9
57.03314	0.8
58.00464	1.6
59.01249	42.0
61.64640	0.8
61.98703	23.4
67.01766	1.2
69.03329	0.9
70.48839	2.3
71.01250	27.6
72.99177	2.2
73.02819	11.8
78.34255	0.6
78.95773	4.5
83.01258	2.1
83.20421	0.7
85.02817	5.8
85.97476	0.6
87.00745	2.9
89.02314	30.9
93.03353	2.4
95.01246	0.7
96.95896	8.6
96.96843	1.4
97.02773	1.0
98.19813	0.9
99.00756	22.5
101.02326	13.6
113.02342	4.6
119.03378	2.4
125.02325	2.3
131.03397	4.5
135.04385	1.6
147.03102	0.7
147.04515	0.8
149.04471	6.3
150.22018	0.8
152.99477	1.3
161.04489	0.8
173.04469	3.3
191.05548	14.7
192.05841	1.0
221.06345	0.7
225.11234	0.8
255.03030	2.2
256.03360	1.3
322.12149	0.9
360.98312	0.7
382.09903	1.0
383.10464	1.3
447.09171	1.0
448.08679	1.2
473.28336	0.8
508.19760	1.3
545.29572	2.9
587.30084	3.6
605.31750	100.0
606.22729	0.7
606.32098	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	605.2406
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
58.73999	0.4
69.79669	3.0
78.95779	2.0
80.96346	0.6
87.00687	0.4
92.97998	0.4
93.03299	0.6
120.85677	0.4
124.42233	0.4
173.04510	0.6
191.05507	1.7
295.85547	0.5
394.11441	0.6
401.18008	0.5
416.16574	0.5
429.16968	1.0
430.18057	1.5
443.19431	0.8
444.19592	0.9
444.42694	0.5
457.20380	2.4
458.20856	1.0
459.18060	3.6
470.21347	1.0
471.18176	1.5
472.18869	1.0
473.19669	5.5
474.20273	0.9
485.19577	1.7
485.24295	1.1
486.20584	4.4
487.21320	1.5
496.19342	0.7
499.17624	2.8
501.23740	2.9
502.22424	0.9
507.13489	0.5
511.21155	3.4
512.21661	1.2
513.19293	3.3
514.20209	9.5
515.20416	1.1
517.19049	0.6
518.19672	2.1
528.21503	1.0
529.22437	100.0
530.22742	18.2
532.21118	1.7
533.21790	2.4
561.24701	1.5
573.21588	0.8
605.24567	1.7
605.74963	0.9
606.25989	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	605.172
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17733	3.8
53.98130	3.9
58.02824	6.8
58.99463	17.2
59.01254	73.3
60.97388	11.9
65.03828	8.1
65.60933	4.3
68.99683	31.8
69.03329	58.4
69.55823	21.8
69.56229	8.0
71.01254	50.5
72.25135	4.3
72.99194	7.0
73.02827	10.8
74.98961	15.5
75.00747	17.2
83.01239	6.2
85.02814	11.8
85.96500	4.3
87.00728	8.8
89.02318	41.1
93.03332	29.5
96.95871	8.3
101.01708	6.6
101.02319	75.0
102.98469	100.0
107.04905	9.4
111.00732	4.6
113.02325	12.9
115.00266	12.3
118.03162	6.3
119.03378	14.6
119.04793	4.7
121.02827	30.7
121.06465	10.8
123.04416	8.3
127.03858	6.5
131.03403	5.8
135.04395	13.9
137.02365	6.5
138.05516	5.0
147.04398	9.9
149.02315	5.6
149.04451	21.9
149.05931	10.0
151.03902	6.1
153.05490	49.7
155.33131	4.7
163.03931	6.3
165.01889	4.1
165.05434	9.7
177.05505	5.5
179.03360	13.7
179.05540	8.1
181.05051	7.0
187.46187	4.5
191.05533	18.1
193.04987	6.4
197.04402	10.5
206.04926	5.7
207.06523	21.4
218.06583	6.3
225.07610	10.1
251.05383	6.0
259.88242	4.5
277.10620	6.1
295.11624	5.1
321.09561	5.3
386.16425	5.0
457.13474	67.6
458.13873	16.1
471.71765	5.5
473.12918	16.2
487.14322	9.5
501.16101	36.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00462	1.1
58.99470	12.8
59.00956	0.7
59.01248	13.2
60.97401	7.0
61.98718	0.8
65.03828	2.9
67.01758	1.4
68.99686	7.5
69.03328	21.6
70.03674	0.5
70.79205	0.8
71.01253	19.7
72.99178	0.9
73.01048	1.0
73.02811	4.6
74.98974	7.2
75.00780	0.4
85.02823	3.1
86.98976	0.7
87.00768	1.4
89.02315	8.9
93.03331	10.1
95.01272	0.5
95.04903	0.9
96.95884	1.0
96.96856	0.6
97.02831	0.6
99.00767	1.1
99.99794	0.5
101.00526	1.0
101.01804	0.4
101.02320	19.9
102.98474	100.0
103.98798	1.7
105.00031	1.3
109.02850	0.5
113.02321	4.3
115.00259	13.8
117.01803	3.0
119.03393	3.9
121.02843	4.3
121.06476	1.3
123.04380	0.6
125.00546	2.0
127.03912	0.7
128.96465	0.8
131.03406	0.9
135.04391	1.5
137.02324	2.0
139.03928	0.5
143.03401	0.7
146.97467	2.2
147.04442	1.0
147.98282	0.5
148.99135	0.5
149.02356	0.7
149.04430	2.4
149.45218	0.5
150.03085	0.5
151.03925	1.0
153.00050	2.3
153.05475	28.2
154.05850	1.0
155.01630	1.5
161.04485	0.7
161.06099	0.5
163.03931	0.7
165.01944	0.5
165.05486	1.5
167.01630	2.1
169.03171	1.0
171.04404	0.7
173.04495	0.5
173.05971	1.2
179.03439	0.8
179.05516	0.8
181.04932	4.3
182.05342	0.6
185.02686	1.9
189.05363	0.5
191.05568	3.3
191.07043	0.6
193.04953	0.6
193.07097	1.1
205.03284	0.6
223.09662	0.9
225.04022	3.4
239.07339	0.5
263.03745	0.6
265.05374	0.8
277.07037	0.5
283.06497	1.2
375.07602	0.9
405.15024	0.5
429.14038	1.0
443.10239	0.9
445.11783	1.9
446.12344	0.6
457.13501	74.4
458.13812	8.4
474.19702	0.5
489.10568	6.1
490.10974	0.6
561.18408	0.8
605.11670	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01588	0.6
55.69278	0.6
57.03316	1.9
57.16660	0.6
58.00464	1.8
59.01250	65.5
61.98685	2.4
67.01754	1.1
67.64842	0.6
69.03327	1.7
69.17017	1.6
69.17425	5.8
71.01252	30.5
72.99171	2.4
73.02820	6.6
78.95757	2.5
81.03335	1.2
83.01241	2.0
85.02834	8.1
85.99956	1.1
87.00748	11.2
89.02312	31.7
93.03332	5.9
95.01253	1.1
95.04875	0.8
96.95893	8.8
96.96828	1.5
99.00758	3.9
101.02325	15.7
109.02869	1.0
111.00761	0.9
111.04424	1.6
113.02337	4.5
117.97205	1.0
119.03416	1.4
123.04438	0.7
125.02295	2.3
127.03867	1.1
131.03395	22.7
133.02823	1.9
135.04407	3.0
137.02333	1.6
143.03380	0.8
148.03667	0.8
149.04456	9.7
152.99495	1.5
155.03419	0.9
161.02295	2.5
161.04497	1.3
173.04488	4.7
173.05777	0.9
178.02449	0.7
179.03452	1.9
191.05545	34.2
192.05893	2.5
205.88185	0.8
211.13326	1.1
215.05548	0.9
227.03300	0.8
255.02971	5.0
283.02414	3.2
285.03900	0.9
291.19647	1.2
381.09775	5.0
393.13345	1.5
429.24808	0.8
446.08652	4.3
543.28027	1.1
585.19354	2.1
585.29175	4.4
586.28925	0.9
603.30212	100.0
604.30597	18.0
604.38812	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97890	0.8
58.99477	13.1
59.01247	17.3
60.97396	6.7
63.44690	0.8
65.03837	4.5
67.01756	1.2
68.99692	8.5
69.03328	24.3
69.27877	8.0
71.01257	20.8
71.01639	0.6
73.02832	4.4
74.63663	0.9
74.98966	7.5
79.95623	0.9
85.02819	3.6
86.02352	1.3
87.00736	2.4
89.02313	11.2
91.75656	1.0
93.03331	14.9
95.01245	1.6
95.04892	1.9
96.95854	1.3
97.02773	0.9
99.00767	1.4
101.00539	1.2
101.02322	23.5
102.98475	100.0
103.98817	2.0
105.00028	1.0
107.04861	1.0
111.00779	1.4
113.02314	4.0
115.00256	13.7
117.01826	2.5
119.03400	3.7
121.02853	4.5
121.06470	2.0
123.04436	1.0
125.00561	1.5
127.03886	2.1
131.03363	1.4
135.04469	1.6
137.02345	2.9
146.97484	1.3
148.99048	1.1
149.02296	1.9
150.03166	0.9
151.03986	1.1
153.00021	2.2
153.05473	29.1
163.03857	1.7
165.05415	2.5
167.01627	2.5
174.07574	1.6
179.05487	1.1
181.04980	2.3
185.02708	2.8
189.05379	0.9
191.05528	2.4
191.07085	1.2
195.06625	1.7
196.02452	1.4
225.03966	3.0
265.05435	1.2
283.06268	1.6
371.13260	1.2
443.10239	1.3
457.13501	67.3
458.13901	7.9
489.10931	5.4
537.49664	1.0
553.66901	1.0
605.11664	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	603.4266
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50587	2.8
52.43272	3.0
54.36080	3.2
56.24345	3.2
57.03317	6.0
59.01236	6.0
67.17251	3.1
71.50255	5.2
71.50649	3.5
78.95779	26.1
117.07017	3.4
123.08135	4.4
125.06054	3.0
125.09620	10.5
133.68820	3.3
135.08092	6.1
137.09598	3.3
141.05470	5.6
152.99489	8.0
153.09077	8.2
155.10698	10.4
162.10258	3.5
163.11198	7.0
165.12791	11.1
171.10184	22.3
177.01814	8.6
185.11777	11.1
191.14301	10.3
195.13744	15.5
197.11790	3.3
209.11761	6.3
223.13361	4.9
225.11330	6.2
245.19167	17.6
247.20532	8.2
277.21747	5.1
289.18085	75.2
290.18524	9.8
291.19702	50.9
292.19995	5.9
293.21225	25.7
295.22787	63.8
296.23087	6.7
307.19162	100.0
308.19427	13.5
309.20709	73.1
310.21005	5.1
325.20221	28.2
327.21814	23.5
328.22049	3.6
462.51373	3.9
567.40369	6.6
585.41071	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	603.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	1.5
59.68452	0.6
61.98708	1.7
62.96367	0.6
69.03286	0.5
70.99895	0.9
71.00235	1.3
71.01246	1.2
73.02847	0.6
76.74390	0.6
78.95773	1.5
84.29811	0.6
85.02823	1.8
89.02312	0.9
93.03352	4.9
95.04910	0.9
96.95902	0.7
97.02855	0.8
105.03317	0.9
111.04454	0.7
119.01261	0.7
121.02836	8.2
122.03632	14.3
123.04411	0.6
133.02852	2.1
134.03595	0.7
135.04395	1.3
136.01564	1.7
137.02345	2.3
149.02338	22.8
149.05969	0.7
150.03128	90.4
151.03549	3.9
153.05515	0.6
164.01059	0.7
164.04681	5.4
165.01855	9.0
165.05479	100.0
166.06230	14.0
167.06828	1.3
173.04494	1.3
175.03748	0.7
177.01927	0.9
179.03419	6.2
180.04199	9.7
181.04959	7.8
181.08575	6.2
182.05571	1.1
191.05537	5.7
194.05795	1.4
195.06555	81.6
196.07083	9.0
197.08022	1.7
210.05127	0.6
211.09714	5.1
225.07625	5.3
287.22055	0.9
301.10889	1.2
313.10779	1.1
329.10202	8.2
330.10660	0.8
343.11850	5.1
344.12613	7.5
359.14981	30.0
360.15292	3.1
373.12808	2.5
389.14886	0.7
407.17010	2.0
421.14935	1.5
555.22510	3.8
556.22748	1.1
603.28137	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	603.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
58.23298	0.5
59.01262	1.4
61.98694	3.0
69.23448	5.2
71.01254	1.1
74.98985	1.7
76.36979	0.4
78.95780	0.5
81.03315	0.5
85.02840	1.1
87.00771	0.9
88.02387	0.5
89.02298	0.6
93.03326	4.6
93.03754	0.4
95.01288	0.6
95.04890	1.1
101.02327	1.2
105.03337	0.6
108.02060	0.7
109.02836	1.1
119.01276	1.7
121.02845	20.5
122.03635	14.9
122.04542	0.5
123.00784	0.6
123.04397	1.0
124.01653	0.6
125.02385	0.6
133.02824	2.6
134.03638	1.4
135.00725	0.7
135.04453	3.0
136.01540	2.1
136.99025	1.5
137.02345	4.5
146.03635	0.6
147.04428	0.7
149.02347	37.3
149.05991	2.0
150.03128	94.8
151.03505	4.3
151.07582	0.8
153.01909	0.5
153.05513	1.0
161.02341	1.2
161.06024	0.6
162.03137	0.7
163.03946	1.1
164.01060	0.9
164.04695	10.4
165.01843	13.1
165.05479	100.0
166.02513	1.5
166.06259	59.8
167.06934	4.0
173.04439	1.1
177.01823	1.0
177.05476	2.2
179.03433	11.3
179.06975	1.2
180.04192	16.9
181.05040	3.6
181.08621	36.4
182.08943	1.6
190.05214	0.5
191.05557	5.4
192.04092	0.6
192.05673	0.6
194.05740	4.2
195.06552	92.0
196.06915	5.0
203.47153	0.5
205.04951	3.2
210.05241	1.0
211.05986	0.5
225.07632	9.4
226.07765	0.5
253.05090	0.8
255.98479	0.6
271.09735	0.5
281.04376	0.6
285.07416	0.8
296.68140	0.6
297.07642	2.0
299.09167	1.5
300.09927	1.4
301.10696	2.2
315.08728	0.8
315.12076	0.7
328.09543	0.6
329.06561	0.9
329.10297	14.3
330.10788	1.1
343.11774	4.2
344.12601	10.3
345.13037	1.1
358.10342	0.9
359.14978	34.6
360.15311	4.6
373.12903	43.6
374.13263	4.7
403.13812	0.6
407.17245	3.6
421.14966	9.9
422.15228	1.4
500.00543	0.6
555.22369	16.6
556.22546	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	603.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	1.5
59.68452	0.6
61.98708	1.7
62.96367	0.6
69.03286	0.5
70.99895	0.9
71.00235	1.3
71.01246	1.2
73.02847	0.6
76.74390	0.6
78.95773	1.5
84.29811	0.6
85.02823	1.8
89.02312	0.9
93.03352	4.9
95.04910	0.9
96.95902	0.7
97.02855	0.8
105.03317	0.9
111.04454	0.7
119.01261	0.7
121.02836	8.2
122.03632	14.3
123.04411	0.6
133.02852	2.1
134.03595	0.7
135.04395	1.3
136.01564	1.7
137.02345	2.3
149.02338	22.8
149.05969	0.7
150.03128	90.4
151.03549	3.9
153.05515	0.6
164.01059	0.7
164.04681	5.4
165.01855	9.0
165.05479	100.0
166.06230	14.0
167.06828	1.3
173.04494	1.3
175.03748	0.7
177.01927	0.9
179.03419	6.2
180.04199	9.7
181.04959	7.8
181.08575	6.2
182.05571	1.1
191.05537	5.7
194.05795	1.4
195.06555	81.6
196.07083	9.0
197.08022	1.7
210.05127	0.6
211.09714	5.1
225.07625	5.3
287.22055	0.9
301.10889	1.2
313.10779	1.1
329.10202	8.2
330.10660	0.8
343.11850	5.1
344.12613	7.5
359.14981	30.0
360.15292	3.1
373.12808	2.5
389.14886	0.7
407.17010	2.0
421.14935	1.5
555.22510	3.8
556.22748	1.1
603.28137	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.3545
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95829	1.0
53.17804	1.0
57.03309	1.2
58.00465	2.7
58.50878	0.9
59.01251	69.3
60.01580	1.2
61.98707	2.1
62.32204	1.1
71.01251	30.5
71.06868	1.8
71.07215	1.2
72.99194	2.5
73.02811	4.1
76.77070	1.0
78.95774	3.1
83.01254	1.5
85.02815	11.2
87.00761	3.4
89.02312	20.0
93.03318	6.5
95.01263	1.6
99.00773	1.5
101.02323	17.5
111.04398	1.6
113.02347	8.6
115.07529	3.3
118.24141	1.0
119.03371	7.7
127.03848	1.5
127.11172	2.2
133.02835	2.6
135.04407	4.2
137.02370	1.2
143.03374	1.3
146.08136	2.7
152.99530	2.1
156.10211	3.0
158.11780	5.9
161.02295	1.5
161.04498	2.4
165.12794	4.8
169.12210	3.0
173.04509	3.6
179.03369	1.4
179.05496	2.3
183.13814	6.7
185.11736	1.5
191.05531	27.4
192.05841	3.2
194.15483	1.7
207.10196	1.7
209.11803	4.8
210.12143	1.4
211.13412	1.4
215.06775	1.2
221.76566	1.2
224.16431	1.7
226.18066	2.7
227.12865	2.5
228.15836	1.3
237.22266	1.7
255.06403	1.0
278.12631	1.3
283.13419	1.0
305.17548	3.2
306.17950	2.4
320.17166	3.8
323.18634	2.2
371.15030	1.8
390.03583	1.3
390.21454	1.3
422.29108	16.8
423.29517	1.6
584.34393	4.7
602.35419	100.0
603.26337	1.7
603.35956	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	602.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	2.0
61.98700	100.0
68.99667	0.3
69.03320	0.6
69.47596	0.9
69.48023	0.8
71.01266	0.9
71.04907	0.3
79.73462	0.2
85.02826	0.5
87.00765	0.3
89.02316	1.0
91.08426	0.2
93.03333	1.1
96.95879	0.4
99.00773	0.3
101.02345	1.2
101.05965	0.5
101.91149	0.2
106.97378	0.2
107.05041	0.2
111.00791	0.2
113.02370	0.5
119.03429	0.3
121.02847	0.8
121.06501	0.5
122.03659	0.2
137.02385	0.4
146.03644	0.3
147.06538	2.8
149.02356	0.6
150.03122	1.2
151.03542	0.3
153.05508	0.7
164.04700	0.4
165.01880	0.6
165.05513	1.7
166.06129	0.4
170.70631	0.2
173.04579	0.3
173.06004	0.3
179.03477	0.5
179.05632	0.3
179.07149	0.7
180.04184	0.4
181.04863	0.3
191.05536	1.4
192.05957	0.2
195.06615	1.5
196.07047	0.2
197.04445	0.5
210.05305	0.2
225.07689	0.3
283.31854	0.2
341.09018	0.3
358.13843	0.3
429.14191	0.9
473.12946	1.1
548.72992	0.3
559.20398	0.3
603.22247	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	0.7
61.98701	100.0
71.01272	0.4
71.09160	0.5
71.09503	0.4
83.02386	0.4
85.02848	0.4
87.00726	0.4
93.03352	0.4
101.02306	0.5
150.03122	0.7
150.78412	0.3
151.03986	0.6
165.05556	0.4
173.04382	0.3
181.05014	0.4
191.05499	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	601.4112
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91859	0.9
51.40855	0.9
57.03313	1.9
59.01243	3.4
70.00504	1.0
71.04866	1.2
73.00900	0.9
80.28171	1.0
81.03336	1.8
83.04877	2.0
86.62406	0.9
87.18787	0.9
88.61829	1.0
91.62442	1.1
95.04916	2.0
97.02838	2.7
97.06467	2.5
98.19775	2.0
99.04379	1.2
109.06478	2.2
123.04414	2.1
123.08018	1.9
125.05946	1.7
125.09601	6.3
127.07520	1.9
135.08049	2.9
137.09621	2.9
141.05470	4.7
149.05994	1.7
149.09641	1.0
151.11194	1.6
153.09125	9.7
163.11226	5.1
171.10170	12.8
181.12137	1.6
185.11774	8.7
191.14362	8.7
195.13835	4.2
197.11794	1.9
207.10175	4.1
209.11810	7.2
210.35701	1.1
211.13364	1.8
217.15831	1.5
223.13309	3.9
225.11240	3.2
227.31557	1.1
245.19086	19.4
246.19487	1.8
256.13110	1.8
271.16980	2.5
275.20169	2.8
279.19809	1.2
287.16446	1.2
289.18100	85.5
290.18405	7.5
293.21222	49.1
294.21512	4.3
307.19150	100.0
308.19434	7.0
309.20612	1.6
325.20190	29.8
326.20624	2.0
565.38898	3.4
583.40118	4.9
601.41138	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	601.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00341	0.6
57.03322	1.6
59.01254	18.6
61.98702	4.3
63.17087	0.6
63.91315	0.6
69.03289	0.9
71.01247	4.3
71.51092	1.1
72.99190	1.0
73.02822	6.4
78.95787	0.7
82.88240	0.6
83.01266	7.2
85.02821	2.8
87.04385	1.7
93.03352	3.3
96.95896	2.6
97.02829	0.9
101.02325	4.6
109.02890	0.6
109.06476	1.1
111.04433	0.8
111.08044	0.6
121.02840	2.2
122.03632	8.0
123.00806	1.4
123.04402	2.9
125.02319	0.8
133.02858	1.2
135.04417	0.9
136.01607	0.7
137.02351	1.9
137.05951	0.6
139.11195	8.5
143.96246	0.7
146.03645	2.6
149.02380	3.8
150.03136	55.7
151.03909	4.7
151.11192	1.0
161.02371	1.1
164.04727	1.2
165.01831	4.3
165.05489	100.0
166.05850	4.7
167.03404	1.0
169.12233	2.0
173.04465	1.2
179.03435	1.7
179.07065	3.1
179.10693	1.6
180.04245	2.7
181.04936	0.8
181.12311	3.2
183.10204	12.4
183.74663	0.7
191.05548	7.9
195.06528	3.8
197.11816	2.3
199.06021	0.8
199.13362	0.8
210.05344	0.7
213.07620	4.7
225.07596	1.9
225.11266	12.5
226.11781	0.9
229.12311	0.6
233.52377	0.7
239.12874	0.9
243.12392	9.5
244.12665	0.8
249.11336	1.5
263.68060	0.7
266.85724	0.7
267.12390	2.4
285.13477	1.4
291.12363	2.6
309.13535	1.0
324.00760	0.7
327.14691	3.6
373.13184	1.7
387.16653	9.2
388.16998	0.9
583.24445	1.0
601.25085	51.3
602.25262	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	601.4114
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01825	0.9
56.65080	0.9
57.03306	1.4
59.01241	2.7
59.07734	1.0
71.50794	1.7
78.20927	0.9
78.95782	1.1
83.04913	1.3
97.06476	2.1
115.07500	1.0
119.62776	0.9
123.04434	1.0
123.08157	1.2
125.06011	1.9
125.09608	1.2
127.11181	1.4
155.10675	10.4
163.11165	2.6
165.12767	19.3
167.10707	2.1
171.10170	7.9
177.12697	1.1
181.12245	2.0
183.13791	1.2
185.11737	1.6
193.15921	2.4
197.11807	2.5
245.18887	1.0
247.20598	13.0
273.18573	5.2
291.19656	100.0
292.20020	8.7
309.20712	78.5
310.20935	7.0
327.21716	22.0
328.22061	1.8
389.04840	1.1
420.50674	1.0
565.39142	1.8
601.41400	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	601.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	9.0
61.56194	1.2
61.98703	20.9
68.99672	2.7
69.03338	8.4
70.66914	1.3
71.01270	6.1
71.51747	2.5
78.95763	2.7
83.01232	1.1
85.02831	3.0
87.00751	2.4
89.02316	4.8
93.03332	9.3
95.04897	4.5
96.95874	10.0
97.02792	1.9
101.02329	6.6
108.02092	1.7
109.02842	3.8
113.02323	2.0
119.03403	2.2
119.04929	1.5
121.02837	10.7
122.03655	12.7
123.00735	2.9
123.04379	5.2
125.02293	2.1
127.03887	1.7
127.11173	1.2
133.02827	3.4
134.03682	1.9
135.04376	4.8
136.01547	4.3
137.02321	3.0
138.03113	2.5
139.00314	1.5
139.03893	2.8
145.02861	1.8
146.03667	1.5
147.00720	1.1
147.04399	2.5
149.02342	35.0
149.06020	1.6
150.03133	85.9
151.03941	7.8
153.05492	3.6
155.03375	1.6
155.10626	1.3
157.12251	4.2
160.05194	2.7
161.02391	9.7
161.05965	2.8
162.03017	2.0
163.03941	2.2
164.04700	11.0
165.01814	3.6
165.05482	100.0
166.02640	6.6
166.05846	4.5
167.03256	1.2
172.05183	5.5
173.02312	2.0
173.04451	2.9
173.05902	2.8
175.03857	4.9
175.07500	1.9
176.04703	6.4
177.01802	1.9
177.05493	3.8
179.03435	17.4
179.06985	3.1
180.04230	8.5
181.04999	14.5
189.05536	9.7
189.11307	1.4
190.06284	9.5
191.05534	24.0
191.07057	3.9
192.05827	1.6
193.05006	2.2
194.05777	20.5
195.06548	61.0
196.06900	4.7
203.12825	16.2
205.04959	1.3
205.08636	2.3
206.05737	2.0
207.06538	2.8
209.08130	33.2
209.11484	1.3
210.08589	2.0
221.08098	3.5
246.11374	2.0
253.05046	1.3
265.05106	1.3
270.47418	1.3
282.05383	2.9
285.03973	1.5
296.10480	1.2
297.07452	3.4
309.07596	2.4
311.09113	2.0
312.09985	2.8
313.10770	2.2
325.10727	1.6
326.11578	2.7
327.12427	5.9
329.10187	6.0
342.11081	5.9
343.11838	12.7
344.11957	1.7
353.08765	2.0
356.12454	3.5
357.13400	38.9
358.13800	3.4
369.13358	1.6
373.11664	3.3
387.14413	8.8
415.11938	1.6
505.18878	7.8
506.18909	2.1
535.19733	27.1
536.20050	5.6
553.20801	13.5
554.20782	2.1
583.22125	20.2
584.22742	2.5
601.25409	10.4
602.24225	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	601.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	2.2
59.56615	0.5
60.45387	0.6
61.29898	0.6
61.98702	11.9
69.29864	6.2
69.59581	0.6
71.01258	1.9
72.99202	0.9
78.95772	8.7
79.95621	1.3
87.00787	0.8
89.02302	1.7
93.03333	4.8
95.04883	1.2
96.95889	37.5
96.96825	12.1
98.02354	7.1
101.02322	1.7
105.03334	0.8
108.02071	2.0
109.02891	1.2
110.02316	0.7
117.38642	0.6
119.04930	0.9
121.02839	5.1
122.03618	10.7
123.00790	0.8
123.04430	3.2
124.01585	0.9
130.08347	0.6
133.02872	1.9
133.53223	0.6
134.03633	1.5
135.04407	3.1
136.01535	1.3
137.02344	4.4
139.00214	0.7
145.02835	3.1
146.03633	77.8
147.04276	4.2
149.02345	26.3
149.04288	1.0
149.05992	2.2
150.03131	69.7
151.00319	0.7
151.03561	3.1
152.94337	0.6
153.01801	0.9
159.24704	0.6
161.02365	1.1
161.05988	22.9
162.03117	2.0
162.06311	1.3
163.03961	3.1
164.04703	58.6
165.01862	15.1
165.05484	79.1
166.02579	1.6
166.05814	4.3
167.03313	0.6
173.04588	0.8
177.01820	1.2
177.05455	2.3
179.03558	8.0
179.07057	100.0
180.04193	12.6
180.07405	5.5
181.04950	2.3
191.05579	4.2
192.04051	0.7
194.05791	1.8
195.02928	4.4
195.06561	84.7
196.06960	4.0
199.46149	0.6
205.04974	2.6
209.08049	1.1
210.05330	1.1
213.74837	0.7
225.07643	7.8
293.08951	0.7
297.07578	1.3
299.09247	2.1
300.09689	0.7
327.08624	4.1
328.09021	0.9
342.10980	3.1
343.11774	4.5
344.12323	0.9
357.13403	12.2
358.13959	1.5
373.12897	39.4
374.13196	3.7
375.14499	1.2
421.15048	9.9
553.20703	3.9
554.20941	0.9
611.41809	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.229
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	6.2
61.98698	11.7
69.20575	14.3
69.92945	1.3
71.01248	3.1
73.02821	1.5
78.95773	3.7
89.02307	3.7
93.03344	8.4
96.95879	15.3
96.96828	3.1
98.02360	15.8
98.95464	9.0
98.96338	2.0
99.00738	4.1
99.01891	3.1
101.02301	2.4
108.02051	2.2
109.02818	8.2
113.02313	1.4
121.02859	8.6
122.03617	13.8
123.00761	3.6
123.04404	3.7
124.01564	2.1
133.02805	2.0
134.03636	1.8
135.04419	4.1
136.01532	9.0
137.02301	5.5
138.03104	1.2
139.00352	1.6
139.03893	3.2
143.04909	1.2
145.02859	2.3
147.04420	2.9
148.05275	1.8
149.02359	24.9
149.04353	2.4
150.03125	97.0
151.00270	22.0
151.03947	9.6
152.01059	2.1
153.32051	1.4
153.59630	1.1
157.01257	1.6
158.03691	3.7
159.04427	12.5
160.05202	32.0
161.02342	1.8
161.05878	2.2
163.03987	2.0
164.04695	5.9
165.01831	7.8
165.05479	88.6
166.02626	49.0
166.05772	2.9
167.02995	2.0
173.02376	2.2
173.05925	1.5
175.03973	4.7
175.07567	31.5
176.04655	2.9
177.01688	1.6
177.05486	3.5
178.06262	7.0
179.03412	3.5
180.04195	5.8
181.04979	100.0
182.05351	3.7
187.03909	3.1
189.05505	3.1
190.06253	1.9
191.05528	8.5
191.07047	2.1
193.08569	8.9
195.06558	52.4
196.06906	3.0
205.04971	3.0
211.04007	1.6
225.07500	1.6
225.81506	1.5
239.03418	1.3
254.05869	2.9
266.05762	2.3
267.06558	1.7
269.04572	14.5
269.07581	2.5
281.08075	1.3
282.05310	17.1
294.94327	1.3
297.07672	20.3
298.08081	1.5
309.07642	2.9
312.10043	25.6
313.10403	2.2
315.08728	5.8
324.09897	2.6
327.08932	2.7
327.12335	47.2
327.62408	1.4
328.12793	3.7
329.10361	10.2
330.10602	1.9
342.11160	6.8
345.13391	2.9
357.13443	26.4
358.13754	3.1
359.11121	1.8
360.11826	1.7
375.14517	20.5
376.15002	2.3
377.12180	2.2
387.14478	4.5
405.15558	15.6
406.16010	2.0
493.18942	2.3
514.99872	1.3
523.19678	18.2
524.20044	2.5
535.19696	4.0
553.21301	1.9
563.13757	1.9
571.21912	3.2
601.21722	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	601.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93641	2.0
55.60077	2.2
59.01004	2.4
59.01253	32.0
61.98695	5.1
65.03804	2.0
67.01765	24.9
68.99683	14.4
69.03323	47.5
70.92184	7.0
71.01248	20.6
72.99187	3.2
73.02816	71.2
85.02814	9.2
87.00751	4.3
89.02283	13.0
93.03358	14.7
95.01260	4.8
95.04903	82.5
96.05202	3.3
96.95882	5.8
97.02831	24.4
97.06466	41.9
99.04406	3.3
101.02336	32.8
109.02824	4.0
109.06463	3.1
109.85595	2.1
111.00773	26.2
111.04387	7.1
113.02326	8.4
113.29192	2.2
119.03425	5.0
121.02844	58.2
121.06482	11.2
123.04410	40.3
127.03909	42.2
135.04384	3.0
137.02309	3.6
137.05969	3.1
139.00278	36.0
139.03891	9.0
141.05467	42.5
147.04433	4.3
149.02339	6.9
149.05984	5.5
150.03107	3.3
153.05487	2.4
153.09129	24.2
155.10651	2.3
164.26541	2.3
165.05473	25.6
167.10670	2.8
171.10176	9.4
173.02435	2.6
173.04453	8.9
179.03452	4.0
179.05542	4.0
179.07076	3.9
181.04991	2.8
183.06549	5.6
191.05539	57.0
191.07159	4.1
192.05858	3.7
193.04999	10.0
195.10167	3.6
197.08075	4.9
201.11253	2.9
203.12711	2.6
209.04445	8.5
209.11780	6.8
215.09207	67.4
216.09596	3.4
223.06042	6.6
227.12767	3.4
241.07158	3.5
257.10300	24.7
285.04059	5.7
287.11346	5.6
317.12326	25.6
341.10822	4.8
359.13528	3.6
373.11447	31.2
377.10284	2.8
377.14548	24.9
378.14627	2.9
410.16058	3.9
429.17819	15.5
495.14999	4.8
525.19562	4.1
569.18542	10.3
601.21375	100.0
602.21649	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	601.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39317	1.6
52.75932	1.8
57.03315	3.8
59.01257	25.0
61.98705	5.5
67.01768	26.4
68.99688	15.2
69.03329	36.7
71.01255	13.5
71.06708	5.4
71.50343	1.8
73.02824	70.5
74.03163	2.0
78.91769	1.9
83.04896	1.9
85.02832	7.8
87.00783	4.3
89.02320	7.4
89.19803	2.4
93.02844	1.9
93.03320	11.7
95.01272	4.0
95.04910	86.6
95.05526	4.4
97.02830	8.9
97.06473	67.2
98.06767	2.8
101.02328	31.0
108.02094	2.7
109.02855	2.6
109.06419	2.6
111.00758	25.9
111.04406	7.1
113.02321	6.0
119.03355	2.6
119.04909	4.9
121.02851	77.4
121.06503	16.9
122.03188	2.8
123.04423	45.0
124.04710	2.5
125.02354	2.0
125.05949	3.1
127.03915	43.3
133.02882	2.6
135.04381	5.0
137.02365	3.1
137.05984	3.7
139.00275	45.2
139.03906	6.4
139.07576	3.2
141.05482	57.7
142.05771	2.9
147.04436	7.1
149.02344	7.4
150.03090	6.5
151.07568	2.1
153.05501	2.3
153.09108	17.6
161.02382	2.7
162.30125	2.2
165.05481	35.0
166.06036	2.7
167.10742	2.4
171.10188	7.8
173.04459	9.2
179.03419	2.5
179.06978	2.5
183.06534	7.8
191.05531	31.3
192.06021	2.5
193.04997	5.2
195.06516	4.6
197.08134	6.1
209.04445	9.8
209.07925	2.2
209.11806	2.3
213.07698	3.4
215.07344	3.9
215.09216	51.4
216.09531	3.3
223.06036	6.9
241.07178	5.8
252.36412	2.2
257.10272	25.0
287.11377	7.0
317.12436	26.5
359.13461	4.7
373.11398	12.0
375.14395	4.2
377.14502	21.6
390.88962	2.2
406.43512	2.1
429.17661	17.7
495.14987	7.0
525.19940	3.6
527.17609	4.5
569.18811	10.2
601.21417	100.0
602.21899	16.9
610.43677	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	599.3954
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	2.3
61.98685	2.2
69.02482	1.8
70.98301	3.2
70.98647	3.2
78.42339	1.6
78.95782	2.8
79.95633	2.0
80.96369	4.7
93.03320	4.1
95.04942	2.0
97.02771	1.8
109.06480	2.9
110.87757	1.9
111.04382	3.2
113.23750	1.9
125.05878	2.2
125.09612	3.7
137.09593	2.6
145.56593	1.6
153.09097	2.9
153.12753	2.5
163.11130	4.8
165.12753	2.2
171.10135	3.4
175.84586	2.0
181.12259	1.9
185.11705	5.4
187.74251	1.5
191.05530	12.2
191.14371	4.0
197.11790	3.2
207.10135	2.2
209.11763	7.5
225.11263	3.7
227.81947	1.6
245.19008	7.4
247.20744	3.7
271.17035	2.5
281.21411	1.8
289.18079	36.5
290.18463	3.0
291.19662	35.0
292.19888	2.7
305.17682	9.6
307.19119	27.1
308.19473	3.0
309.20688	100.0
310.21005	12.2
323.18616	4.7
325.20389	2.5
459.43741	2.1
512.31604	1.8
563.37140	3.2
581.38434	8.3
582.38855	2.7
599.39807	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	599.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47863	2.3
60.57464	2.3
69.44153	18.2
76.81989	2.3
77.88548	2.3
78.95773	5.3
80.02533	3.1
80.96382	3.2
82.19706	2.3
83.04887	5.8
93.03327	4.8
98.07126	2.4
99.50442	2.4
107.04899	7.1
115.11781	2.4
117.39954	2.3
120.12289	2.2
121.06563	2.4
125.05956	3.1
125.09620	12.8
135.08025	7.2
153.09113	10.2
163.11172	5.8
165.12796	3.1
171.10143	4.5
179.10661	2.7
185.11737	9.7
191.05455	5.5
197.11755	8.5
207.10153	6.2
209.11777	79.7
210.12155	4.0
225.11264	5.8
243.17479	4.0
245.15170	2.2
261.18530	4.8
277.21838	3.6
279.19809	3.8
287.16562	10.6
293.21201	9.0
305.17572	100.0
306.17923	10.6
323.15158	4.6
323.18591	51.1
383.25784	3.1
581.38507	28.4
582.38165	3.0
599.39893	15.3
600.39709	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	599.395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30233	0.5
57.03326	1.9
59.01238	3.7
69.03348	1.0
71.01264	0.8
71.04893	0.9
72.01647	0.5
73.67123	0.6
78.95797	0.6
80.02573	1.6
80.32670	0.5
80.96420	1.1
81.03354	2.0
83.04900	1.5
84.50990	0.5
85.02844	0.9
93.03346	1.9
95.04882	2.5
97.02838	2.8
97.06483	2.1
99.04410	1.2
106.04127	1.6
107.04875	0.8
109.02808	0.6
109.06472	2.3
112.05214	0.7
113.06071	0.5
115.07558	0.5
121.06469	1.4
123.04365	3.6
123.08062	2.1
125.05995	1.5
125.09601	7.3
127.07546	0.8
127.11122	0.6
135.08054	3.8
137.09650	2.8
139.07486	0.5
141.05479	4.4
141.09087	1.2
141.12756	1.1
142.02634	0.9
148.08795	1.4
149.05992	1.0
149.09602	1.1
150.10373	1.1
151.11163	1.1
153.09108	11.0
153.10278	0.8
154.74014	0.5
162.10251	0.6
163.07457	0.8
163.11176	8.8
165.12753	16.9
166.09947	0.9
166.13123	1.3
171.10165	13.6
171.11644	0.7
172.10577	0.8
175.11241	1.2
177.09125	0.5
177.12746	1.5
178.09856	0.7
179.10660	1.2
181.12279	1.5
185.11734	7.6
187.09647	0.6
191.05513	4.0
191.14320	10.7
192.14725	1.0
193.12198	0.8
197.11826	2.5
207.10193	4.4
209.11751	6.5
210.27887	0.5
211.13330	1.2
217.15929	2.0
219.13828	1.0
225.11330	3.6
226.11801	0.6
227.12770	0.7
238.11934	0.7
245.19052	21.7
246.19466	1.8
247.16988	0.6
247.20631	9.0
248.20906	0.8
263.20105	1.1
271.17038	1.5
273.18594	3.4
274.19037	0.7
279.19760	0.7
289.18073	87.2
290.18414	8.9
291.19632	57.6
292.19901	4.4
307.19113	100.0
308.19470	8.1
325.20178	29.3
325.24207	0.8
326.20490	2.6
373.74771	0.5
409.27585	1.1
427.28549	0.8
563.37262	3.2
564.38177	0.7
581.38324	4.2
598.75122	0.7
599.39655	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	599.3951
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	2.0
61.98703	100.0
62.98401	1.4
63.99121	1.1
71.50275	0.9
71.50630	1.2
78.95792	1.4
82.95270	1.2
83.02406	1.1
97.02842	1.2
156.37210	1.0
171.10181	2.9
179.03427	1.0
183.97305	1.1
191.05609	1.3
209.11768	4.2
289.18158	2.4
290.18539	1.2
291.19739	1.6
307.19177	2.0
308.19458	1.3
441.03281	1.2
584.59583	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	599.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56004	0.3
59.01251	2.6
61.98697	1.8
66.79565	0.3
67.01743	0.4
68.99673	0.7
69.03327	0.5
70.98741	0.3
70.99073	0.4
71.01250	1.5
72.99167	0.5
78.95755	0.6
81.62709	0.3
83.04900	0.5
85.02827	1.1
87.00729	0.8
89.02330	1.2
93.03354	1.8
95.01286	0.4
96.90751	0.2
96.95937	0.2
101.02309	1.4
107.01359	0.3
111.00766	0.3
111.04380	0.3
113.02310	0.7
119.03382	0.4
119.12178	0.3
121.02853	0.3
123.04383	0.5
127.93008	0.2
133.02859	0.6
135.04395	0.4
135.84589	0.2
147.87666	0.2
152.99510	0.4
155.03375	0.8
163.03868	0.2
165.12793	0.3
167.01695	0.2
167.10648	0.3
167.14323	0.6
171.10143	1.9
173.04468	0.9
179.03424	0.5
179.05536	0.4
181.08554	0.3
183.13814	5.8
191.05537	6.6
192.05835	0.6
193.12265	1.6
194.12300	0.3
201.05473	0.3
201.11105	0.4
209.11748	2.3
211.13329	100.0
212.13673	5.8
237.14806	0.3
245.15504	0.4
255.02873	0.3
269.04596	0.3
306.07861	0.4
317.17557	0.5
340.47131	0.3
349.16638	0.4
563.21338	0.6
581.25964	1.3
582.26343	0.4
599.27625	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34995	0.2
59.01249	2.6
61.98689	0.6
67.01772	0.3
67.52235	0.2
68.99693	1.1
69.03322	0.6
70.33172	0.2
71.01257	1.7
72.95778	0.2
72.99168	0.2
78.95756	0.3
79.12634	0.2
83.04909	0.3
85.02820	0.6
87.00753	0.2
87.30918	0.2
89.02303	1.6
93.03319	0.9
94.12791	0.2
94.56082	0.2
95.01254	0.6
95.17426	0.2
96.95923	0.2
98.20577	0.4
101.02315	2.2
101.15952	0.2
111.04379	0.2
113.02335	0.4
119.03390	0.5
123.04427	0.4
127.03910	0.3
130.08656	0.2
135.04419	0.7
138.57375	0.2
149.02312	0.3
150.08972	0.2
155.03421	0.8
155.10687	0.2
161.02385	0.3
163.03943	0.2
165.05518	0.2
167.10710	0.3
167.14336	0.8
171.10165	0.7
173.04468	0.6
175.42728	0.2
179.03389	0.4
179.05507	0.4
183.13835	6.5
184.14169	0.4
186.30215	0.2
191.05521	4.4
192.06071	0.2
193.12265	1.7
204.11998	0.2
209.11757	0.7
211.13336	100.0
212.13676	6.3
237.14891	0.7
245.15559	0.3
247.13431	0.4
273.15103	0.2
282.14728	0.2
284.47910	0.2
317.17392	0.9
330.77640	0.2
338.84805	0.2
349.16547	1.0
357.21024	0.2
401.19357	0.4
528.19086	0.2
581.25867	2.1
582.26355	0.4
599.27448	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	0.6
59.01250	100.0
60.01578	0.9
61.98699	4.2
67.01764	1.0
69.03339	2.3
69.78632	1.2
69.79057	2.2
71.01260	2.4
72.99190	1.8
73.02832	1.0
74.71249	0.5
75.00748	9.6
75.44453	0.5
83.01259	0.9
85.02824	3.6
87.00768	1.6
87.04392	2.4
89.02319	1.6
93.03325	6.1
95.01302	0.8
95.04906	1.2
97.02831	0.9
100.91367	0.6
101.02337	2.1
107.01265	0.5
109.02840	1.0
111.04422	0.7
111.08010	0.6
113.02286	0.9
121.02859	2.4
122.03683	1.8
123.00824	0.5
123.04436	1.3
125.02336	1.1
127.03928	0.6
130.08699	0.6
132.02107	0.6
133.02875	1.2
135.04404	1.1
136.01616	1.3
137.02373	1.0
137.09650	2.4
138.03181	0.9
139.11156	0.8
149.02330	2.8
150.03137	9.2
151.00299	1.5
151.03931	1.7
155.10678	12.1
162.03133	0.9
164.04706	0.8
165.01949	0.6
165.05481	10.8
167.03444	1.1
169.12282	0.9
173.04517	2.4
176.70413	0.6
177.01862	9.0
177.03322	0.7
177.05479	1.1
178.02483	0.8
179.03482	1.1
180.04263	0.9
181.05025	1.8
181.08559	1.0
183.10248	1.4
191.03662	0.8
191.05524	15.2
191.06841	0.9
192.04221	9.7
192.05910	1.2
193.04843	0.8
195.06516	5.3
195.10175	0.9
196.07208	0.8
199.09702	13.6
200.10059	0.9
201.11267	11.5
207.06549	14.2
208.07051	0.8
225.11378	0.9
227.03595	1.1
241.10712	4.1
253.10913	1.1
255.02954	19.0
256.03723	11.2
256.06226	1.0
257.04218	0.8
283.02463	25.4
283.11887	5.9
284.03238	39.0
285.03839	4.5
323.45889	0.6
328.09561	1.2
343.14114	13.3
344.14410	0.9
355.11877	0.9
373.12943	3.5
381.09970	1.8
385.12918	1.2
403.13843	4.1
415.12744	0.6
437.02954	1.2
437.08673	9.1
438.09601	0.9
446.08551	3.1
539.21838	2.7
543.15411	1.9
544.15204	0.6
563.21863	1.3
581.22198	2.7
586.07056	0.7
599.22980	5.6
600.23657	0.6
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
54.84533	1.0
56.94181	1.2
59.01250	100.0
61.98703	12.1
67.01768	2.3
68.99675	1.5
69.03339	3.9
71.01248	4.4
71.51800	2.2
72.99182	1.8
73.02812	1.6
75.00737	4.1
78.95810	1.4
83.19489	1.1
85.02810	4.8
87.00773	4.4
87.04383	6.6
89.02314	3.3
93.03342	8.3
95.04913	2.2
98.73645	1.2
99.04354	1.5
101.02326	4.2
108.02049	1.6
109.02835	2.7
111.04372	2.1
113.02318	1.7
114.02935	1.4
116.75816	1.2
121.02844	3.3
122.03610	2.2
123.00764	1.4
123.04385	3.4
125.02278	1.4
133.02863	1.3
135.04384	3.8
136.01585	2.9
137.02345	2.8
137.09608	4.2
147.04483	1.4
149.02365	4.6
150.03122	23.0
151.00186	1.3
151.03935	2.0
152.99525	1.9
153.05318	1.2
155.03455	1.5
155.10669	20.3
161.02301	2.3
162.03139	14.8
163.03601	1.5
165.01787	1.8
165.05476	24.9
166.02576	2.2
166.05743	1.3
169.12314	1.5
173.04427	5.0
177.05481	18.6
179.03416	4.4
179.07050	1.2
180.04095	1.8
181.04951	3.0
181.08618	1.9
191.03763	1.7
191.05554	25.4
192.05873	2.0
195.06525	9.0
199.09676	22.4
201.11163	2.2
207.06419	2.4
209.08112	1.3
223.06071	2.3
241.10733	7.5
253.10919	1.3
283.11865	9.3
341.46173	1.1
343.13986	13.6
344.14343	1.4
373.12747	4.5
381.09604	2.2
385.12918	1.9
419.17279	1.5
494.14459	1.3
521.18085	2.8
539.21393	7.7
543.15198	3.1
551.19220	2.6
563.21338	1.5
581.21753	5.0
582.22473	1.6
599.21106	4.1
600.22125	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	599.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46460	2.3
55.01753	2.1
59.01247	16.0
59.01489	2.7
69.03345	2.6
71.01244	20.7
71.51093	4.5
72.45490	2.0
73.02802	8.7
77.62762	2.3
78.95751	2.5
83.01269	6.1
85.02827	9.2
87.00723	2.6
89.02313	5.2
90.76574	2.3
90.94850	2.8
95.01261	2.5
96.96881	2.1
97.02815	3.9
101.02328	12.4
109.02811	2.6
111.14070	2.2
113.02306	5.9
123.04438	4.5
135.04425	2.5
137.02338	10.7
143.03334	2.5
150.03117	4.7
162.67982	2.2
163.03905	4.7
164.04738	3.8
165.01846	69.2
165.05460	8.2
173.04480	2.9
179.03423	22.0
179.07066	5.1
180.04192	49.6
181.04912	4.3
181.26514	2.2
191.05559	15.8
194.05733	5.1
195.06548	59.9
196.07185	7.2
210.05270	11.0
211.09750	10.2
225.07626	45.9
283.46124	2.9
359.11435	5.3
373.15024	36.2
374.14105	3.3
389.16034	11.0
551.21350	100.0
551.29944	4.7
552.21912	16.1
599.23486	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	599.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84951	2.8
59.01249	100.0
69.63009	19.8
71.01254	60.8
72.99197	3.1
85.02821	6.5
87.00739	4.9
89.02318	86.3
95.01252	4.8
101.02331	25.2
111.01837	3.2
113.02326	28.8
119.03390	31.5
120.38652	3.3
123.52740	3.3
125.02338	3.1
127.63018	3.3
131.03355	5.5
143.03380	8.6
149.02460	4.9
161.04474	8.8
179.05516	38.8
192.84253	2.9
292.07764	2.8
292.22763	3.8
359.15021	3.2
469.68643	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	599.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83963	0.5
59.01247	67.8
60.01581	0.8
71.01239	0.7
78.90460	0.6
79.17317	0.5
81.17226	0.5
93.03307	0.6
94.45369	0.5
108.08693	0.5
116.12942	0.6
121.02820	3.1
122.03619	1.4
147.17355	0.6
149.02335	45.8
150.03125	16.5
162.01944	0.6
164.04684	12.2
165.05476	20.0
166.06123	1.9
167.07005	2.8
168.71819	0.6
180.04250	1.2
181.08626	1.3
191.05537	2.1
195.06540	14.3
196.06892	0.6
226.97612	0.6
283.09799	1.8
314.11572	25.0
315.12024	2.4
316.49158	0.6
321.19409	0.6
329.13913	100.0
330.14249	9.1
377.16034	42.2
378.16293	4.7
476.24649	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50569	0.3
61.98699	100.0
65.52589	0.2
69.39887	2.2
78.95790	0.5
94.82697	0.3
128.48083	0.2
144.44856	0.2
147.39494	0.3
152.99533	0.5
171.10291	0.3
209.11696	1.5
245.19154	0.4
254.28908	0.3
289.18124	1.2
307.19128	2.1
325.20212	0.7
499.30637	0.3
598.28955	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86661	0.5
59.01251	7.7
59.19890	0.6
59.96056	0.5
61.98699	13.5
67.01756	1.8
67.65948	0.6
68.99676	1.1
69.03321	2.6
69.29803	5.4
71.01262	3.8
72.99187	1.0
73.02830	0.7
75.00747	0.8
78.95776	4.8
79.95596	1.1
81.03313	1.0
83.04872	0.7
85.02819	7.4
87.00723	3.5
89.02296	1.9
93.03331	12.9
94.03647	0.6
95.01252	0.9
95.04896	0.6
96.95889	34.4
96.96818	8.8
97.27510	0.7
98.02348	2.5
99.00758	0.8
100.45488	0.6
101.02326	2.5
107.90199	0.5
109.02834	1.7
111.00742	0.6
111.04403	2.1
113.02319	1.9
119.03380	1.0
121.02871	1.7
121.06541	0.6
122.03599	1.7
122.06026	0.6
123.00787	1.1
123.04404	1.8
127.03874	2.3
127.04723	0.6
133.02829	1.0
135.04422	7.0
136.01559	1.7
137.02347	2.2
138.03201	0.6
139.00273	1.1
147.04396	0.8
149.02348	2.7
149.04376	0.6
150.03136	9.7
151.03920	1.4
153.01860	1.3
155.03380	1.0
161.02345	3.8
162.03110	0.8
163.03859	1.1
163.07544	0.9
164.04654	0.7
165.05473	16.2
165.06863	0.8
173.04466	5.3
177.01860	2.3
177.05521	1.1
179.03380	5.6
180.78246	0.7
181.04985	2.1
183.10339	0.7
188.04625	0.6
191.05534	100.0
192.04146	2.3
192.05902	4.2
193.04793	0.8
195.06532	3.7
201.11227	7.8
207.06598	4.0
211.06108	0.7
213.07567	1.4
249.07500	1.0
255.03108	0.7
266.13358	0.6
269.04532	5.7
315.34540	0.7
328.09509	1.0
329.13892	0.9
343.11862	1.9
353.08762	15.5
354.08987	1.4
355.11810	0.6
403.14035	5.3
480.16748	0.7
529.09430	0.9
599.19788	11.4
600.20715	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	598.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02849	7.7
59.01237	1.5
61.98700	7.8
66.03363	0.7
67.01778	0.7
69.03306	0.7
70.02854	1.0
71.01241	1.3
72.00794	1.1
74.02341	16.3
75.20234	0.5
78.95757	0.5
80.03661	0.5
80.21603	0.4
81.04464	1.0
81.74194	0.5
82.02859	1.8
84.04384	0.5
85.02830	1.4
85.03900	0.5
86.02348	6.1
86.06001	0.5
86.98979	1.2
87.00729	1.1
87.05523	3.3
88.03923	0.6
88.98718	1.3
89.02288	0.9
90.00060	1.3
93.03334	3.3
94.03692	0.6
97.02812	0.9
97.03943	2.0
98.20546	1.3
99.05518	13.7
101.02294	1.8
101.07069	1.7
102.05480	1.8
107.06035	1.3
109.03934	1.7
111.05540	1.3
112.03928	2.9
113.03441	0.7
115.99500	0.4
116.01595	1.0
120.01099	0.7
121.03989	0.5
123.05540	1.0
124.03928	1.1
124.07537	0.5
125.03445	2.2
126.01743	0.5
127.03935	0.4
127.04993	2.8
128.03424	41.7
129.03748	0.9
133.02841	0.4
135.04517	0.9
135.05524	4.1
136.16307	0.5
137.02344	0.8
137.07036	1.0
141.06610	3.3
143.04523	54.9
144.01093	0.6
144.04855	1.8
145.06090	2.2
146.04482	5.2
149.07076	0.5
153.06599	4.9
160.00645	14.4
161.02324	0.6
166.09767	2.3
167.04514	4.0
167.08165	2.2
169.04341	0.5
170.03273	0.7
171.04045	1.0
171.07626	0.7
173.04434	1.7
174.04723	0.5
177.03285	5.5
179.04556	10.7
180.04872	0.9
180.07693	0.5
181.06149	0.9
183.13802	0.6
184.10802	0.7
185.05598	1.9
191.05521	9.2
192.05908	0.8
192.07661	0.9
197.05635	2.2
198.08723	0.7
209.11852	0.7
210.08807	11.5
211.13345	19.7
213.03293	0.6
225.11191	0.4
236.96849	0.5
242.07657	1.2
254.07779	18.1
255.08139	0.6
269.04437	0.9
270.04889	1.2
272.08871	31.7
273.09244	1.5
288.06573	10.3
306.07635	100.0
307.07898	5.6
399.10803	0.7
415.35251	0.5
544.74384	0.7
563.20996	0.9
581.22540	0.8
598.28088	9.0
599.22815	0.6
599.28271	0.7
600.62390	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3796
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07268	3.7
53.37409	3.5
58.82833	3.5
59.01254	5.5
71.01245	3.9
71.04877	3.5
71.42014	7.6
78.95750	4.6
79.95611	5.8
80.96402	4.5
83.04916	9.0
85.25620	4.3
93.03333	7.4
107.04901	7.7
114.98889	3.4
124.81837	3.4
125.09627	13.3
135.08049	8.4
153.09183	10.9
163.11169	9.4
165.12811	6.8
169.51778	3.9
185.11783	11.5
191.05478	11.4
197.11819	11.6
209.11761	79.5
210.12100	4.8
225.11218	6.2
236.10556	5.1
243.17505	4.3
287.16574	9.4
291.19586	11.6
305.17566	100.0
306.17914	11.2
316.98413	4.2
323.18695	40.4
324.18930	5.2
381.24420	7.1
579.36774	37.2
580.37701	5.6
597.37970	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	597.3867
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	0.6
58.72237	0.7
59.00952	1.2
59.01250	17.8
61.98701	3.8
68.99681	4.8
69.03323	2.3
69.14980	0.6
69.28407	0.7
71.01253	9.2
71.52059	0.9
72.99187	1.4
73.02821	2.5
75.00751	5.3
81.03331	13.9
83.01243	1.6
83.04896	44.1
85.02794	4.0
87.00758	1.9
89.02326	5.1
93.03339	3.8
96.95892	1.0
97.02811	0.7
99.00787	1.4
100.07555	6.8
101.02320	10.4
101.02935	1.1
102.02696	1.3
103.02718	0.8
108.42100	0.7
113.02309	2.5
119.03387	1.6
121.02826	0.7
127.03898	1.2
131.03413	1.1
131.25330	0.7
135.04399	2.0
136.47853	0.6
139.03870	0.8
150.03090	1.9
151.03944	0.9
165.05511	1.2
173.04500	0.8
177.01976	0.7
179.03444	1.1
181.04936	0.8
181.08624	1.0
191.05559	12.3
191.07240	0.4
192.05946	0.7
199.18063	7.4
204.36969	0.7
207.15036	0.7
224.17839	0.8
225.16066	9.7
226.16336	0.8
243.17113	20.8
244.17444	2.1
260.55878	0.7
261.65085	0.7
269.15158	1.3
309.21790	1.3
337.21219	0.6
353.20810	7.5
354.21219	0.9
375.14053	0.7
429.10785	0.6
435.16116	0.8
451.33075	3.1
469.34027	12.6
470.34296	2.1
495.32242	0.8
527.16656	2.5
537.28540	1.1
565.28094	0.8
579.20880	0.8
579.29938	0.9
579.37848	2.5
597.30951	17.8
597.38702	100.0
598.31274	2.8
598.39252	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	597.3156
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	0.5
59.31038	0.1
61.54869	0.1
61.98700	100.0
62.98393	0.2
69.22942	1.6
78.95778	0.5
93.03342	0.4
98.20583	0.3
132.39143	0.2
133.02885	0.2
135.04385	0.3
152.99501	0.6
191.05504	0.8
193.22963	0.2
195.13896	0.6
196.14133	0.3
242.08011	0.2
277.21576	0.3
278.22070	0.3
295.22711	2.6
296.23068	1.3
297.23404	1.0
298.23801	0.5
309.20367	0.2
449.23114	0.4
490.25485	0.2
511.80234	0.2
520.30383	1.6
521.30969	0.5
522.31372	0.7
523.31342	1.1
597.31482	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40430	0.9
59.01248	52.4
63.38690	0.9
66.62447	1.0
70.95044	2.2
71.01252	2.7
73.02814	1.1
85.02819	1.3
87.00747	3.3
93.03337	3.1
100.01556	1.2
101.02326	1.9
110.52853	1.0
111.00764	3.3
114.01962	0.9
120.00562	1.0
121.02868	5.4
122.03620	4.6
123.00758	1.8
133.02856	1.5
137.02280	1.0
142.99704	1.3
146.03600	7.9
149.02336	29.2
150.03128	47.8
151.03775	3.6
161.02292	1.1
161.05968	3.5
163.03851	1.5
164.04723	17.4
165.05479	82.5
166.05777	3.1
171.90237	1.0
173.00842	1.2
174.01584	1.8
176.04608	1.2
178.06207	1.2
179.03464	1.3
179.07048	15.7
180.04227	6.5
181.04968	3.8
183.38052	1.0
191.05554	6.8
194.05772	1.5
195.06563	60.3
196.06888	3.0
205.04889	1.1
209.08148	2.9
214.09265	1.3
214.81883	1.0
221.08199	1.9
249.07727	1.5
261.04297	1.1
262.04800	2.5
265.07047	2.0
277.07104	3.9
283.09634	1.3
295.09122	1.2
312.10010	21.6
313.10315	1.9
325.64429	1.1
327.12357	100.0
328.12729	10.5
337.09238	11.9
338.09326	1.3
356.07245	1.1
365.99799	1.0
375.14484	27.5
376.14676	3.3
461.14691	10.1
521.15857	1.2
533.16681	2.1
579.17322	3.3
597.18127	24.7
598.18323	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	597.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	80.0
61.98717	10.7
68.17757	7.4
69.15361	37.9
69.15780	57.9
71.01257	59.9
73.60527	8.1
85.02840	15.0
89.02334	48.3
101.02322	23.3
109.95207	9.0
113.02316	18.7
119.03377	19.9
121.02847	100.0
150.03114	12.8
165.01866	20.8
174.92638	11.7
179.03444	17.8
179.05489	27.0
180.04185	12.4
191.05559	27.2
195.06573	28.0
209.04489	66.6
210.04741	10.4
225.07552	17.9
285.47430	8.4
336.87238	9.3
435.15680	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	597.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	5.2
59.01251	100.0
61.98705	21.5
66.16794	4.7
68.63889	4.2
68.99707	5.4
69.03325	6.6
69.57835	20.6
69.58253	8.7
71.01257	73.2
72.99174	14.9
75.00751	22.4
83.01263	5.3
83.76766	3.9
85.02832	11.8
86.47608	4.0
87.00740	11.5
89.02315	79.4
91.61271	3.8
93.03363	5.7
93.77193	4.1
95.01264	5.8
96.75920	3.8
99.00769	7.0
101.02325	44.4
111.14809	3.9
113.02328	18.3
117.81638	4.6
119.03422	31.3
121.02848	70.7
135.04398	6.8
143.03384	7.0
149.02315	13.3
149.04482	8.3
150.03113	7.0
151.03963	8.0
161.02426	5.1
161.04449	7.7
164.04669	6.4
165.05447	9.5
166.06248	6.8
177.05382	4.9
179.03503	7.5
179.05530	30.8
179.06946	4.9
181.05026	7.6
191.05505	43.3
209.04529	51.2
345.13406	18.0
399.14374	28.1
400.14890	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	597.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	0.8
57.03324	1.2
58.00462	1.7
59.01249	35.4
60.01601	0.5
61.98704	1.0
69.03332	1.0
71.01251	34.6
71.31499	1.2
72.01593	0.9
72.99179	2.7
73.02811	3.2
75.00761	2.4
83.01272	2.9
85.02826	8.0
87.00764	2.3
89.02313	28.7
93.03321	1.3
95.01274	3.2
97.02828	0.7
99.00765	1.5
101.02315	17.7
107.04939	0.6
109.02863	2.1
113.02322	14.0
115.00233	0.7
119.03391	11.2
120.02048	0.7
121.02846	11.3
123.00774	0.7
123.04398	1.3
125.02324	1.0
131.03386	1.4
135.00830	0.8
135.04404	1.0
136.01570	1.7
137.02339	14.6
139.00253	0.8
143.03409	3.6
147.00760	0.5
149.02322	0.8
149.04453	1.4
150.03165	1.3
151.03909	1.2
153.05423	0.8
159.02856	0.8
161.02350	0.8
161.04471	5.8
161.05733	1.0
163.03918	1.3
164.01051	2.1
165.01840	100.0
165.05432	3.0
166.02167	4.0
167.03552	0.7
173.04466	0.7
177.05513	0.8
179.03413	25.7
179.05511	10.7
179.06953	0.5
180.04192	63.2
181.04510	3.1
191.05554	6.9
191.07098	1.3
192.04231	0.9
193.08595	0.6
194.05753	6.7
195.03003	2.7
195.06549	72.1
196.06924	3.8
207.06622	0.8
209.04497	8.0
209.08060	4.7
210.05266	12.6
210.08234	0.7
211.05717	0.8
225.07626	53.8
226.07977	2.6
231.02892	0.6
244.40819	0.5
301.03513	2.7
302.03604	1.8
303.04114	2.5
329.09970	0.6
357.09787	4.9
358.09866	0.9
372.12122	5.2
373.12653	1.0
387.14468	48.2
388.14798	4.9
417.15714	0.8
435.16705	4.9
480.21835	1.0
481.21729	2.3
549.19611	2.7
589.73157	0.6
597.12952	3.1
597.21741	8.5
598.13593	0.8
598.22211	1.7
598.67505	0.7
606.75586	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01261	8.0
61.98704	45.8
67.01751	3.3
68.95131	1.1
69.03316	3.9
71.01247	6.1
72.99186	3.1
73.02819	1.8
75.00740	4.3
78.95779	1.7
83.01261	1.3
85.02814	5.7
87.00753	5.3
88.98647	1.3
89.02301	3.4
90.89757	1.4
93.03339	16.5
94.03689	1.3
95.01257	1.7
96.08573	1.1
97.02832	3.8
98.19762	3.3
101.02313	5.0
108.02039	1.7
109.02851	3.1
111.04421	2.6
113.02366	1.8
119.04897	2.5
121.02858	8.1
122.03631	14.7
123.04441	2.8
133.02831	3.5
134.03600	1.7
135.04453	3.1
136.01578	3.0
137.02324	3.1
139.03943	1.5
147.04376	6.5
149.02351	29.0
150.03128	100.0
151.00075	1.4
151.03676	5.8
152.01108	1.4
155.03400	1.5
155.10660	1.7
161.02293	1.6
163.03905	3.3
164.04688	6.3
165.05487	96.1
166.05815	5.4
173.04495	6.3
177.01808	1.4
177.05466	1.5
179.03445	2.7
179.07123	1.4
180.04163	6.5
190.06282	2.9
190.87926	1.2
191.03458	6.0
191.05527	36.3
191.07028	2.5
192.05882	3.6
193.06197	1.6
194.21819	1.2
195.06557	50.8
196.06937	2.6
199.09679	1.8
206.05841	1.2
209.06160	1.2
209.08118	1.2
210.06844	1.3
234.05453	1.9
237.05577	2.1
249.05528	2.0
250.06198	2.6
253.04953	1.7
254.05867	1.4
265.04968	1.8
267.07077	1.3
267.10165	2.1
278.05750	1.3
279.06586	1.8
281.04605	3.1
282.05200	4.5
283.09714	1.4
283.92029	1.5
292.07278	1.7
293.08182	1.7
294.05502	2.6
294.08871	1.8
295.09702	5.2
296.06818	3.4
296.10413	4.0
297.04529	1.9
297.07648	8.7
298.08121	2.7
309.07678	2.9
311.09286	1.4
312.09906	3.6
322.04800	3.4
323.05356	2.1
324.06512	2.0
325.07220	1.9
326.11328	1.4
327.12323	4.6
336.06497	1.5
337.07162	15.9
338.07758	3.4
340.05603	1.6
341.06628	4.0
351.08350	1.5
352.09460	5.9
353.06378	11.5
353.09393	1.8
355.08066	3.5
356.08932	3.8
368.08926	3.6
370.10373	3.5
371.11340	24.8
372.11703	4.1
383.11337	43.3
384.11563	4.3
386.08481	3.1
431.14929	1.6
449.14468	1.6
475.17468	1.6
505.18475	3.4
519.16388	8.4
523.19220	2.8
531.16425	2.4
549.17627	28.4
550.17853	4.5
553.20563	5.9
558.14117	1.4
561.20215	1.6
567.18811	6.0
568.19250	1.3
579.20709	3.5
597.20844	9.7
597.34521	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	597.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	41.8
70.46944	3.6
70.47346	3.5
71.01244	6.7
73.02798	3.4
75.00727	1.6
77.25387	1.4
85.02870	1.5
87.00742	8.2
99.00742	2.2
101.02316	3.5
107.92983	1.7
109.02850	1.9
111.00767	5.9
112.98653	1.5
121.02845	4.5
122.03642	9.1
123.00764	4.5
133.02901	2.0
142.99767	3.3
146.03668	4.3
146.06398	1.6
149.02342	27.9
150.03119	68.6
151.03751	3.8
153.05453	1.9
161.05946	2.0
163.03909	1.8
164.04675	14.0
165.05475	100.0
166.02562	2.3
166.05858	5.3
173.00792	4.5
174.01627	3.7
176.04672	1.8
179.03368	2.5
179.07062	14.6
180.04147	9.3
181.04919	3.8
191.03461	1.6
191.05513	4.4
191.07037	1.9
193.08727	1.8
194.05795	3.1
195.06558	57.9
196.06934	4.0
205.04987	1.7
209.08066	3.5
219.03038	1.7
221.08226	3.8
222.92169	1.6
234.05318	2.1
247.02589	1.7
262.04980	1.7
264.06427	2.3
265.07086	2.6
277.07187	5.8
281.08112	1.6
281.43738	2.2
295.08179	1.9
312.10114	12.3
313.10202	1.8
327.12354	67.3
328.12689	4.5
337.09348	18.4
375.14444	16.1
395.44528	1.6
461.14465	15.4
462.14783	2.6
533.16119	2.1
569.46484	2.1
579.17017	7.2
579.32025	1.6
597.18127	46.3
598.18451	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	597.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	2.5
69.26623	17.9
71.01256	5.1
73.02806	4.9
83.01269	2.7
85.02809	2.2
87.00750	21.3
93.03345	4.1
97.02866	2.4
99.00739	2.4
100.01553	3.6
101.02310	2.7
109.02858	2.0
111.00787	12.5
112.98675	5.6
121.02819	4.2
122.03668	12.2
123.00753	9.6
125.02332	2.3
126.65407	2.2
133.02869	1.9
134.03642	2.1
135.04391	4.0
142.99707	4.6
149.02354	24.7
150.03134	85.8
151.03783	7.5
161.02335	6.4
164.04703	15.8
165.05487	100.0
166.01212	2.2
166.02611	4.6
166.05849	4.1
173.00798	8.0
176.04726	4.1
178.06212	2.8
179.03416	8.6
179.07043	8.6
180.04169	8.0
181.04947	8.1
191.03435	5.9
191.07091	4.3
193.08653	2.0
194.05798	6.5
195.02904	2.2
195.06549	39.9
196.06781	3.0
203.03441	2.2
205.04930	3.7
206.05795	3.4
209.08118	6.9
219.02922	3.3
221.08153	5.0
247.02405	4.2
248.25708	1.9
249.07619	3.0
261.04004	3.7
262.04858	5.5
264.06366	5.1
265.07150	3.2
272.97229	2.2
276.06427	4.0
277.07153	8.8
295.82297	2.3
296.71921	1.9
337.09253	29.6
338.09576	2.9
369.13327	8.9
413.12402	3.0
416.25418	2.3
453.05991	2.2
455.59808	3.4
461.14505	31.5
462.14978	4.6
491.15601	2.4
533.16742	6.8
579.17218	18.5
597.18237	82.1
598.18744	9.9
603.46857	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	597.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	2.8
60.39526	1.9
61.98693	4.2
63.45661	1.9
70.26030	10.1
71.01246	5.7
72.99199	2.1
74.89166	2.2
83.01265	4.0
84.54066	1.9
85.02824	4.8
87.00744	35.5
93.03331	5.6
96.95898	11.5
99.00735	4.6
101.02324	4.8
111.00752	38.9
112.98677	2.1
121.02814	4.4
122.03625	11.6
123.04441	2.9
129.01804	3.1
138.03149	2.4
149.02348	28.6
150.03128	96.3
150.14633	2.2
151.03786	8.1
161.02304	2.5
163.03966	4.0
164.03445	2.2
164.04654	14.1
165.05476	86.6
166.02702	3.0
173.00894	1.9
176.04668	2.7
179.03384	8.2
179.07098	14.0
180.04126	6.4
181.04974	5.2
190.02763	2.5
191.05551	15.1
191.07057	3.2
194.05809	6.4
195.06554	34.5
205.05011	4.4
209.08112	7.4
234.05290	3.0
244.43741	2.2
249.03999	4.4
249.07594	6.4
250.04639	2.6
264.06445	10.6
265.07095	9.3
291.08557	3.7
299.74350	2.4
321.09781	3.8
337.09274	7.9
384.88043	2.3
413.12494	6.4
461.14539	58.0
462.14822	8.1
487.16687	3.1
505.17529	3.9
521.16949	5.7
579.17285	7.6
597.18243	100.0
598.18896	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	595.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81901	0.1
59.01249	3.2
60.01597	0.2
61.98701	100.0
69.16622	1.7
69.20061	0.2
71.01259	0.4
78.95767	3.8
79.95609	0.2
80.96392	2.2
85.02836	0.3
87.00745	0.4
92.30910	0.2
93.03350	1.1
94.97967	0.5
98.20597	0.3
101.02377	0.3
111.95515	0.2
113.09632	0.6
114.09936	0.2
152.98499	0.3
152.99522	1.3
155.03426	0.3
164.98534	0.6
168.04292	0.5
173.04488	0.7
191.05551	1.1
194.15993	0.2
195.13786	1.3
196.14116	0.8
224.06956	0.7
225.00716	0.6
225.07346	0.3
242.08113	0.2
277.21686	0.9
278.22079	1.4
284.03421	0.2
293.21240	2.0
294.21637	0.6
295.22760	3.6
296.23117	5.0
297.23532	0.4
325.28885	0.2
450.23532	0.2
491.02377	0.2
518.29016	0.9
519.29272	0.3
520.30518	2.0
521.30762	9.6
522.31427	0.7
577.23157	0.3
595.27966	3.4
595.36652	0.3
596.28723	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2797
Annotation	Zn-OEP complex
Peak:m/z	Relative Intensity
59.01248	1.8
61.98705	23.6
63.96113	1.4
69.03323	1.1
71.01252	6.3
71.50605	0.5
73.02819	1.4
76.68076	0.3
78.95786	1.2
78.98468	4.7
79.95609	8.9
80.96394	64.5
81.03333	1.2
82.95947	0.7
83.01254	0.5
85.02833	3.5
87.00756	3.1
93.03368	0.6
94.97963	13.6
95.01266	0.7
96.95888	1.2
97.02840	1.2
99.00766	0.7
101.02321	2.3
104.66789	0.4
106.97980	2.8
113.02361	0.6
121.02846	1.6
122.03198	0.7
122.97467	5.5
124.53571	0.4
125.02338	3.1
125.37827	0.4
127.03890	0.6
133.02861	0.3
134.97482	4.4
135.04440	1.0
136.99005	1.3
148.99048	5.2
149.98810	0.3
152.98540	7.4
152.99667	0.7
161.02344	1.1
164.98561	9.5
165.98894	0.5
167.00104	0.5
173.04567	0.7
179.03442	0.4
182.99629	2.3
188.98557	0.4
191.05556	3.3
195.13797	1.0
206.99626	3.3
209.04567	0.6
225.00708	17.8
226.00897	0.7
239.24052	0.4
243.01799	1.7
277.21457	0.5
284.03308	1.3
285.03934	0.7
286.04266	0.4
295.22830	2.0
296.23026	0.7
299.04321	2.1
345.22684	0.4
521.31158	0.8
595.27911	100.0
596.28235	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	595.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	1.6
60.99180	2.0
61.94730	0.4
63.93346	0.4
65.03862	0.5
67.01762	5.4
69.03319	1.7
70.27100	1.2
71.01254	2.4
73.02815	0.7
81.03326	1.6
83.04916	1.2
83.68198	0.4
85.02821	7.5
87.00744	6.6
93.03336	30.4
94.03662	1.1
99.00790	0.7
105.03351	0.5
108.02055	0.5
109.02829	1.6
111.04408	4.0
113.02305	0.5
121.02859	0.7
124.01578	0.6
127.03923	1.9
128.09352	0.4
132.02031	1.1
133.02861	2.8
134.03633	2.9
135.04424	8.2
137.02336	1.4
151.03902	1.5
155.03406	1.0
159.04443	0.5
160.01604	2.5
161.02324	0.9
163.03767	0.5
171.02812	0.6
173.04471	10.5
174.03151	1.7
177.01854	0.6
179.03331	2.1
187.03883	0.8
191.05540	100.0
192.05885	4.2
197.06004	0.9
211.13365	1.5
215.05553	1.2
228.04213	0.9
283.13474	0.9
299.16516	2.8
301.14520	0.5
308.08884	0.9
309.14902	3.8
310.15271	0.7
327.15991	10.9
328.16461	1.1
343.15634	0.6
345.17062	2.9
351.07169	3.9
352.07831	1.5
353.13812	0.9
371.14969	21.2
372.15366	2.2
563.21295	25.7
564.21625	4.3
595.14893	0.8
595.23920	8.8
596.24335	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	595.204
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03440	2.6
56.16191	2.1
59.01249	46.6
61.98670	5.1
63.02272	3.0
64.27749	2.1
68.99660	2.9
69.03305	4.1
70.80878	4.6
71.01252	36.9
72.99136	4.0
75.00705	6.3
80.69378	2.0
83.01232	3.4
85.02837	13.9
87.00705	7.2
89.02315	45.2
93.03281	8.2
95.01218	7.4
96.95862	3.4
97.02827	3.3
99.00738	2.4
101.02321	22.9
104.75320	2.4
107.01234	3.1
109.02757	2.4
113.02325	12.1
116.34438	2.3
119.03381	14.6
119.04881	2.1
120.05656	2.3
121.02772	4.6
123.00639	3.0
125.02309	2.9
129.01711	2.5
133.02760	6.9
135.04448	17.5
137.02203	3.5
139.00180	8.3
143.03319	6.3
146.03505	2.2
148.03804	4.8
149.02292	5.6
151.00168	7.1
153.01784	2.9
161.02252	4.1
161.04353	4.4
162.03108	13.8
163.03847	4.2
163.43364	2.3
165.05373	2.9
166.02551	3.3
175.03798	4.1
176.04211	2.5
177.01830	2.9
177.05481	19.9
179.03279	3.2
179.05405	8.6
181.04829	5.4
190.04880	9.5
191.03667	2.6
191.05545	37.4
199.03778	2.7
207.02820	3.7
208.06046	12.5
217.04955	3.8
218.05769	3.0
264.45337	2.6
281.08148	3.4
284.03357	12.6
285.03973	84.0
286.04343	68.1
287.04596	68.5
288.04813	4.0
301.03271	10.5
308.03152	2.3
314.59235	2.4
355.11423	9.9
358.10260	8.1
373.12927	18.1
403.09393	3.1
403.13916	5.6
418.12436	2.8
433.15005	62.7
434.14883	8.7
491.18832	4.8
503.18777	9.8
541.89716	2.4
552.37195	2.6
595.14923	100.0
596.15222	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	595.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79089	0.9
56.59513	0.9
59.01257	5.4
61.98714	1.2
68.83627	0.8
68.99687	1.6
70.88606	2.6
71.01251	4.0
72.99178	1.2
75.00752	3.0
85.02819	2.7
89.02323	3.0
90.81132	1.0
93.03345	2.3
95.01259	9.1
96.74988	1.1
97.02835	2.0
101.02335	3.6
107.04913	1.3
109.02830	1.8
111.00782	2.1
113.02338	1.9
119.03413	1.9
121.02831	2.4
123.00749	10.6
123.04493	1.2
124.01589	2.8
125.02361	3.1
135.04469	1.2
137.02347	4.3
137.99533	1.0
138.03127	4.2
139.00282	9.8
139.03918	3.6
140.01077	1.0
145.02849	1.8
147.04483	1.2
150.03171	1.8
151.00252	2.5
151.04037	1.3
152.00998	1.2
153.01859	4.5
153.05501	1.6
154.02605	1.0
155.03413	1.7
159.04436	2.6
161.02347	1.9
162.03143	3.0
163.00291	1.1
163.03963	1.1
165.01794	1.5
166.02615	5.0
167.03355	2.2
168.04236	1.1
173.02478	1.2
174.03180	1.4
175.03944	2.6
176.01112	1.1
177.01884	4.2
177.05495	5.5
178.02632	2.6
179.03412	2.2
181.04999	6.5
188.01183	1.0
189.01927	1.5
189.05580	1.6
190.02531	1.1
191.03468	3.9
191.05573	10.0
191.07010	1.4
192.04199	5.4
193.04996	8.4
195.06570	1.3
203.03516	4.8
204.04410	1.8
205.04968	1.6
207.06575	8.4
217.05118	1.3
218.05827	7.3
219.03030	1.2
219.06628	3.0
221.04579	1.1
233.08191	1.7
234.05342	1.8
241.05159	1.1
251.09268	1.0
255.03015	1.8
259.96158	1.0
265.24890	1.0
269.04559	1.0
271.02567	2.3
285.07816	1.2
286.29398	1.1
297.22507	1.1
300.02762	7.9
301.03647	3.6
301.07178	0.9
313.03314	0.9
313.07144	1.6
343.08270	3.1
343.12106	1.3
355.08224	3.0
357.09863	3.7
358.10583	18.3
359.11078	3.1
370.10635	2.2
373.09158	1.9
373.12939	37.3
374.13391	3.6
375.10788	1.3
385.13098	3.7
389.12476	1.0
397.09891	1.0
403.10156	3.9
403.14526	12.8
416.00797	1.3
417.11972	4.1
418.12729	8.5
419.13644	2.6
433.15024	100.0
434.15390	13.2
469.52737	1.1
565.16052	3.6
580.18182	2.8
595.13507	4.4
595.20569	59.5
596.12903	1.1
596.21075	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	595.1663
Annotation	6,8-Di-C-glucopyranosylnaringenin
Peak:m/z	Relative Intensity
50.81676	0.7
55.01752	0.9
59.01233	1.6
63.21791	0.7
65.00166	1.2
66.64062	0.7
68.99671	1.8
69.03349	1.0
69.62279	1.6
69.62691	4.1
71.01251	2.5
72.45497	0.7
73.02788	0.9
75.00729	1.1
78.88097	0.8
79.01750	2.1
81.03312	2.1
83.01268	5.8
91.05372	0.9
92.43043	0.7
93.03333	10.0
95.01266	2.9
95.04886	1.1
97.02828	6.3
98.20473	1.1
99.00729	0.9
101.02328	1.5
107.01266	11.5
107.04876	2.2
109.02845	3.8
110.64857	0.7
111.00744	1.4
111.04394	3.3
113.02349	1.3
117.03304	1.1
119.04914	53.2
120.05227	3.0
121.02842	4.8
123.00751	1.7
123.04388	4.4
125.02332	11.0
126.56548	0.9
131.04951	1.1
133.02817	2.0
133.06425	0.9
135.04414	2.6
137.02325	7.1
139.03915	6.4
143.04939	6.0
145.02873	8.8
146.03212	0.8
147.04362	2.4
149.02351	5.6
150.03052	1.7
151.00266	5.9
151.03911	2.2
153.01845	1.2
155.03357	1.4
158.03497	0.9
159.04472	1.4
161.02278	1.4
161.05980	2.6
163.00255	4.8
163.03912	5.4
164.01086	2.1
165.01859	8.0
165.05469	1.0
167.02103	1.5
167.03403	15.1
169.06351	0.9
173.02357	1.0
175.03922	1.9
176.01047	1.1
177.01845	6.7
177.05473	2.0
178.02570	1.7
179.03366	3.7
180.04066	0.9
185.05978	1.5
187.03952	9.3
189.01776	1.4
189.05415	0.9
190.02541	0.9
191.03636	3.9
191.05336	4.3
192.00555	0.9
193.01344	11.8
193.04930	1.6
194.01727	1.1
197.04491	4.0
197.06075	1.1
199.07622	4.3
203.03529	1.1
203.07104	1.3
204.00452	0.9
205.01329	9.5
205.04872	1.2
206.02016	0.8
207.02966	5.6
209.04462	5.8
219.02939	3.4
220.03685	1.1
221.04497	2.1
223.02423	2.7
223.07657	1.2
227.07158	2.9
233.04456	1.7
235.02464	17.5
236.02991	1.5
237.09103	1.1
239.05563	2.9
239.10779	0.8
243.06662	2.0
245.04315	0.8
245.08029	1.2
247.02394	1.9
248.03236	1.0
249.04004	3.2
261.04031	2.2
265.03503	9.0
265.08673	2.7
267.06635	1.3
269.08401	1.2
271.06168	5.8
277.20670	0.8
281.08185	1.1
283.06113	2.3
283.09503	1.3
291.05182	1.7
295.04626	1.8
297.07602	1.0
313.07193	21.6
314.07431	2.1
319.92978	0.9
325.07077	8.8
326.07715	1.3
326.63522	1.0
327.08359	1.7
339.08835	1.5
343.08286	9.2
344.08420	1.1
353.06357	1.2
355.08197	100.0
356.08588	9.8
366.19098	0.9
367.08203	6.5
369.09766	1.4
383.07535	1.0
385.09259	81.4
386.09570	11.3
397.09378	2.9
405.48267	0.8
415.10266	24.1
416.10892	2.0
427.10391	2.7
439.10025	1.4
457.11377	9.4
458.11713	1.0
469.11093	0.9
475.12479	33.8
476.12610	4.9
487.12408	7.7
488.12509	1.0
505.13474	10.1
506.13504	2.1
577.15985	4.1
595.16669	73.6
596.16925	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	594.3284
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98701	100.0
69.29787	3.0
69.30209	1.5
69.30383	0.4
73.02817	0.5
78.95781	2.9
119.95248	0.6
128.03886	0.5
130.74315	0.5
135.04463	0.6
152.99481	1.2
154.35431	0.5
173.04454	0.8
191.05545	1.2
235.48862	0.5
248.01196	0.5
253.14314	0.5
285.04218	0.5
500.93243	0.6
594.14764	0.6
620.07483	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3411
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	0.7
59.01250	20.6
69.22215	2.8
73.98280	0.3
78.95776	9.5
80.96387	1.3
83.64915	0.3
93.03332	0.4
98.19635	0.3
113.09599	2.1
152.98479	0.3
152.99513	3.0
159.71834	0.4
168.04228	2.8
177.12785	0.4
177.16672	0.3
179.14330	1.4
181.12267	0.7
191.05434	0.7
195.13837	16.9
196.14201	1.0
209.65961	0.3
224.06886	1.5
233.22617	0.4
242.07959	4.2
251.23653	0.3
277.21719	15.2
278.22049	1.1
295.22766	100.0
296.23123	9.3
309.24295	0.5
334.02881	0.3
405.18811	0.3
449.22910	1.4
457.44720	0.3
520.30414	66.8
521.30798	10.7
594.26447	1.7
595.27466	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3412
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07167	0.6
57.03319	1.2
59.01249	23.3
61.98706	3.8
63.99113	0.7
67.01729	0.8
67.40820	0.8
68.12379	0.6
68.99689	0.7
69.63272	4.6
70.29884	0.7
70.97484	0.7
71.01252	1.3
76.31173	0.6
78.95779	12.2
80.96388	3.6
85.02798	1.2
87.00743	1.9
93.03333	3.8
94.97964	0.9
97.06441	0.7
98.19920	1.3
99.71916	0.6
101.02286	0.8
113.09590	2.2
121.02845	1.2
124.26879	0.6
135.04373	1.8
152.99490	5.3
155.03421	1.4
157.14685	0.7
161.02344	1.1
168.04167	1.7
173.04446	2.5
177.12785	0.8
179.03362	1.0
179.14368	1.1
191.05559	8.3
195.13821	22.4
196.14197	1.3
209.11795	0.9
224.06854	1.5
225.00645	1.1
225.11171	1.0
242.07973	4.2
277.21695	17.9
278.21927	1.6
284.03210	1.4
285.03851	1.9
286.04202	1.2
295.22757	100.0
296.23178	9.4
353.13458	0.8
421.84320	0.8
449.23135	1.2
455.68750	0.7
520.30408	67.4
521.30792	8.2
577.22125	0.8
594.15228	1.9
594.26288	5.3
595.26917	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	593.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	77.9
59.40820	3.5
61.98701	25.1
66.41304	3.4
67.01782	4.1
69.03350	4.0
71.01250	33.3
71.50822	5.4
73.02824	10.2
75.47020	3.8
78.95774	22.1
78.99515	3.2
79.95613	9.1
80.96382	55.5
83.00072	3.3
83.01260	6.3
83.04972	3.3
85.02822	28.9
87.00753	15.2
88.98677	4.4
89.02324	9.6
93.03339	40.2
94.97958	14.0
96.95908	4.3
99.00787	5.2
101.02332	16.9
101.08236	3.6
105.14153	3.5
111.04334	4.6
112.33591	3.9
113.02332	12.5
119.10691	3.4
125.02348	6.9
133.02841	14.1
135.04428	25.3
152.98438	6.7
152.99510	11.0
155.03442	5.2
161.02364	7.7
163.07530	5.2
163.87517	3.6
164.98485	13.2
173.04485	26.9
177.01823	3.8
179.03323	7.1
191.05539	100.0
191.07164	8.2
197.11726	9.3
206.99794	4.3
209.11746	9.3
225.00673	13.3
283.13397	4.5
284.03265	51.3
285.04028	71.3
286.04340	10.5
292.16672	5.6
299.05444	6.9
345.30200	5.4
486.40158	3.8
489.34308	46.1
490.34650	5.4
507.35028	22.9
508.35614	4.6
593.15094	65.5
593.26154	76.6
594.15369	19.6
594.26666	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	593.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13173	0.3
59.01254	4.1
61.98696	0.4
65.03813	0.5
67.01766	0.3
68.99672	1.4
69.03329	5.7
69.55470	1.5
69.55889	0.6
71.01250	2.0
72.99187	6.6
73.39719	0.3
83.91820	0.3
85.02836	1.3
87.00743	0.6
89.02319	3.0
92.28151	0.3
92.91451	0.2
92.98251	0.7
93.03336	4.3
95.01268	0.4
97.02834	0.4
101.02319	4.5
107.04905	1.3
111.00749	0.5
111.04421	0.3
113.02333	0.6
116.95705	0.2
117.03371	0.4
118.86114	0.3
119.03520	0.7
119.04919	24.1
120.05267	1.0
121.02835	1.7
121.06474	0.4
126.98551	0.3
127.03952	0.5
133.02812	0.5
134.03632	2.2
135.04420	21.6
136.04762	0.6
137.02315	1.2
139.00273	1.4
149.02551	0.8
152.54958	0.3
153.05475	6.0
155.03400	0.7
160.01593	0.5
161.02353	0.3
163.03922	32.5
164.04256	1.7
173.04472	1.2
173.05942	0.6
175.03891	0.3
177.01770	0.5
179.03423	1.4
179.05515	0.3
181.04985	100.0
182.05316	4.6
191.05542	10.1
191.07053	0.8
192.06007	0.3
223.09666	0.7
229.05023	0.3
235.06157	0.3
249.07736	0.4
256.03629	0.3
267.08841	0.5
284.03284	5.6
285.03961	4.3
299.05630	3.2
329.06696	0.5
355.18863	0.3
361.09299	1.8
397.11163	0.3
421.11493	2.5
422.11517	0.3
429.14014	11.4
430.14310	1.1
461.16956	0.3
499.31815	0.3
593.18994	9.3
594.19360	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	593.2637
Annotation	Isochondrodendrine
Peak:m/z	Relative Intensity
53.16440	0.4
59.01235	1.5
61.98694	1.5
62.06339	0.5
63.96117	0.8
64.96839	0.5
69.03325	0.5
70.09193	2.1
71.01254	7.5
73.02811	1.5
78.95753	0.7
78.98466	6.8
79.95606	31.3
80.96388	63.4
81.03332	1.1
83.31152	0.4
85.02831	3.1
87.00760	2.5
93.03345	0.7
94.97958	14.1
96.95895	1.2
97.02819	2.0
97.80333	0.5
99.00761	0.8
101.02310	2.9
106.20225	0.4
106.97968	3.1
109.02809	0.7
113.02354	0.6
122.97462	6.2
125.02332	2.9
127.03888	1.0
134.93575	0.4
134.97466	4.9
135.04347	0.6
136.99005	1.4
146.97450	0.5
148.99049	5.6
152.98524	7.3
164.98534	10.6
172.92094	0.4
179.00107	0.8
182.57104	0.4
182.99615	2.3
184.73900	0.4
191.05525	3.9
193.43523	0.4
195.13797	0.9
206.99585	3.3
225.00687	19.7
241.00179	1.0
243.01799	1.7
275.20090	0.7
277.21591	0.5
284.03259	1.9
285.03891	2.7
293.21320	1.0
295.22699	1.3
299.04312	3.4
313.89215	0.5
315.03830	0.6
318.20148	0.5
371.06439	1.2
385.08224	0.9
390.40109	0.5
399.09521	1.7
427.13068	0.6
441.13794	0.5
455.15833	2.0
495.18945	1.6
520.30426	1.2
523.18219	0.7
593.26312	100.0
594.26672	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	593.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40322	1.1
57.03309	3.4
58.22100	1.1
59.01252	8.4
67.01745	3.3
68.99675	3.3
69.03323	2.1
71.01254	16.7
71.50692	1.6
72.99170	3.3
73.02817	3.1
75.00746	2.0
79.90420	1.1
83.01266	2.9
85.02818	12.4
87.00760	6.3
88.98725	1.4
89.02316	3.2
90.37778	1.1
93.03328	12.4
95.01274	1.8
95.12923	1.0
97.02847	2.3
99.00769	7.7
101.02323	4.7
109.02793	1.6
111.00756	6.6
111.04412	2.8
112.98692	23.7
113.02310	2.8
115.00251	3.5
119.03413	1.4
121.02792	1.7
125.02316	2.5
127.03890	4.3
129.01833	7.2
135.04408	3.0
136.01582	1.4
137.02344	2.9
139.00226	2.7
142.99776	1.6
143.03360	1.2
145.01297	4.8
147.04350	1.8
151.03937	2.0
155.03404	4.9
159.04430	2.3
161.02332	2.5
161.04514	1.4
162.18929	1.1
163.03954	1.9
168.16458	1.1
171.02876	1.7
173.00804	8.6
173.02350	3.6
173.04477	9.0
174.03098	1.3
175.03918	2.7
179.03445	2.3
179.05460	1.1
181.04944	2.4
191.05531	100.0
192.05836	5.8
201.01872	3.9
203.03378	1.6
205.03545	1.7
214.51215	1.2
217.04991	2.6
218.02142	1.5
219.02875	2.4
221.04500	1.6
227.03404	2.7
229.05000	1.6
237.05528	1.4
248.67357	1.1
255.06551	1.7
261.04007	6.3
285.04147	1.6
297.07690	1.9
307.05850	1.1
325.07074	3.1
351.89621	1.1
353.06766	3.7
363.34222	1.2
383.07489	2.5
385.11295	2.6
393.08240	7.5
419.09726	3.3
435.09250	4.9
472.62994	1.2
497.69144	1.2
508.92252	1.2
533.12793	3.1
575.13489	1.7
593.15466	11.0
594.15668	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	593.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01220	0.7
60.55909	0.4
61.46755	0.5
61.47104	0.4
69.44526	3.7
69.86969	0.5
71.01241	1.0
73.88017	0.5
77.40928	0.4
79.01748	0.8
91.05377	0.6
91.18139	0.5
93.03316	2.2
95.01248	0.5
107.01231	0.5
117.03341	5.7
118.38194	0.4
119.04915	1.3
121.02833	0.6
133.02852	0.4
133.06418	0.6
135.04404	3.3
147.04440	0.9
149.02350	1.0
149.05991	0.5
159.04393	0.5
161.02351	2.7
161.05885	0.6
163.03925	2.3
173.06079	0.6
175.03918	2.2
177.01845	0.7
177.05504	2.2
179.03362	0.7
189.01833	0.9
191.03413	1.3
191.05542	0.4
197.06085	0.8
203.03453	2.0
205.04985	1.0
210.06743	0.6
224.08318	0.5
233.04504	0.9
237.05453	0.6
238.06316	0.6
245.04562	0.7
251.07150	0.8
253.08655	0.8
267.06628	0.9
268.07407	1.5
270.14850	0.5
279.06607	0.7
281.04562	1.0
282.05432	2.1
283.06027	3.3
295.06110	6.7
296.06863	3.7
297.07669	22.9
298.08051	2.0
307.06149	2.9
309.07660	2.2
311.05573	2.0
323.05627	3.6
324.06229	1.1
325.07086	8.1
326.07559	0.9
328.05835	3.0
335.05640	1.4
337.07211	2.6
346.96558	0.5
353.06647	33.4
354.06894	3.8
355.08112	0.7
356.05206	1.0
365.06595	4.7
380.32843	0.5
381.06061	0.7
383.07669	19.3
384.07959	1.9
395.07590	2.6
413.08945	2.5
425.09006	0.9
473.10828	12.7
474.11176	1.5
484.91644	0.5
503.11945	3.2
575.14551	0.8
593.15088	100.0
594.15442	17.5
594.24963	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	0.4
63.02257	1.5
65.00196	1.6
70.49372	1.7
71.75803	0.4
83.01255	0.8
98.34821	0.4
107.01244	2.5
109.02814	0.5
121.02859	0.9
132.02045	0.5
133.02849	5.2
134.03578	1.2
149.01230	0.5
149.02292	2.2
149.99455	0.6
151.00293	5.4
175.03946	2.5
187.03893	0.5
191.05530	3.1
195.04469	0.4
197.05933	0.6
198.03058	0.6
199.03906	3.0
200.04744	0.5
201.01881	0.6
207.41119	0.4
211.03889	1.1
215.03488	0.7
217.05057	1.3
219.99428	0.4
227.03452	1.5
239.03452	0.5
241.05113	1.0
241.12173	0.5
243.02855	0.5
255.02931	1.3
256.03757	5.2
269.04578	0.7
283.02518	0.8
284.03262	72.4
285.04025	100.0
286.04355	7.5
309.04230	1.0
327.04977	1.1
429.08554	0.9
447.09253	1.9
593.15106	84.4
594.15509	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	593.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13350	0.3
60.99144	0.4
65.00199	0.4
69.30669	0.4
69.31071	1.9
76.68878	0.3
83.34815	0.2
88.98660	1.9
89.02303	1.3
98.19805	0.5
107.01222	0.5
133.02792	0.4
134.03615	0.8
151.00262	0.7
191.05540	0.4
211.04015	0.5
227.03349	0.7
228.03928	0.4
241.04887	0.3
246.92305	0.3
251.40057	0.3
255.02953	1.4
256.03757	2.5
257.04202	0.4
273.23111	0.3
279.50870	0.3
283.02448	0.4
284.03253	82.5
285.03735	9.6
297.04108	0.4
299.05600	100.0
300.05951	7.9
404.19427	0.3
421.21133	0.3
438.33322	0.3
574.60107	0.3
593.15021	6.4
593.23523	0.4
594.15735	0.8
614.16492	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43969	0.3
63.02269	1.0
65.00198	0.9
83.01262	0.5
85.02833	0.4
98.20642	0.7
105.03351	0.4
107.01252	1.8
109.02831	0.7
121.02789	0.7
131.01326	0.3
133.02846	3.4
134.03577	0.4
149.02310	1.2
151.00261	3.2
175.03937	1.3
177.01747	0.5
185.05965	0.5
191.05576	0.9
198.03125	0.3
199.03973	1.9
201.01920	0.4
213.05537	0.4
217.05043	1.2
227.03551	0.7
236.49193	0.3
241.05055	0.7
243.02878	0.5
255.02795	0.7
256.03644	1.5
257.04544	0.3
267.03021	0.4
284.00061	0.4
284.03250	14.7
285.04022	100.0
286.04404	8.1
327.05124	0.6
532.69000	0.4
584.44818	0.4
593.15100	31.9
594.15454	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	592.3255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29553	0.3
57.03320	4.3
59.01250	21.0
61.98687	1.5
69.34679	1.7
69.35087	1.2
71.01247	0.4
78.95779	11.3
80.96382	0.9
83.04906	0.4
93.03331	0.7
94.97955	0.4
96.96860	0.7
97.06454	0.9
109.06428	0.7
113.09607	18.3
114.09940	0.6
119.74799	0.4
122.43840	0.3
122.44714	0.3
122.98422	0.6
123.08086	0.4
125.09605	0.5
131.38766	0.3
135.04422	0.8
135.11725	0.6
139.11179	1.7
141.09093	0.5
149.09634	0.7
152.99481	3.1
153.09099	0.3
159.11661	0.4
163.11139	0.5
167.10680	2.9
168.04245	2.5
177.12759	2.4
179.10710	2.7
179.14320	0.8
191.05510	2.0
195.13835	2.5
205.15968	0.7
224.06845	1.8
242.07954	3.9
249.22226	2.3
256.12979	0.3
263.16727	0.4
275.20245	1.8
284.03336	0.7
285.04111	1.1
293.21222	100.0
294.21573	9.3
307.22794	15.1
307.55182	0.4
308.23022	1.5
400.18542	0.3
447.21695	0.7
473.23227	1.0
474.24255	0.3
502.47052	0.4
518.28864	39.7
519.29266	6.2
532.30377	8.3
533.30981	1.3
592.25037	0.6
593.15112	0.9
593.25610	0.4
602.58099	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.3255
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	0.5
59.01249	29.0
61.98690	1.6
67.01769	0.5
69.03317	0.7
69.61508	2.1
71.01255	2.3
71.46670	0.5
71.64911	0.4
76.01650	0.4
78.95772	15.2
78.98462	1.0
79.95610	3.3
80.96391	12.1
83.04899	0.5
85.02817	1.4
87.00739	1.3
93.03341	2.8
94.97969	2.9
95.04918	0.6
97.06483	0.6
101.02329	0.7
106.97958	0.6
111.04375	0.5
111.08024	0.8
121.02860	0.5
122.97489	1.1
125.02379	0.7
128.66455	0.4
133.02914	0.9
134.97414	0.9
135.04388	1.6
137.02304	0.5
148.99030	1.2
151.00302	0.6
151.03816	0.5
152.98685	0.8
152.99533	5.0
155.03427	0.5
161.02344	0.9
164.98534	2.0
167.10773	0.6
168.04230	3.5
173.04498	1.4
179.03299	0.6
179.14275	1.2
182.99586	0.6
191.05534	7.4
192.05881	1.2
195.13829	12.9
196.14423	1.3
202.29922	0.5
205.12250	0.8
205.15825	1.0
206.99554	0.7
211.13312	2.9
217.03299	0.4
223.13347	9.0
224.06851	1.8
225.00633	3.5
228.13766	0.8
231.21207	0.6
232.01971	0.6
242.07907	5.7
243.01709	0.6
256.13208	1.8
265.21576	0.9
275.20187	6.2
284.03217	2.6
285.04086	3.2
293.21219	100.0
294.21503	10.2
299.04755	0.9
307.22806	1.8
326.57828	0.5
375.12546	0.7
447.21588	3.0
510.50385	0.5
518.28864	80.1
519.29150	11.2
592.15692	0.7
592.24768	1.2
593.15527	2.9
593.26227	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	591.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39207	1.5
57.03296	1.8
58.00463	3.4
59.01251	88.1
61.98698	19.6
67.01768	2.0
69.03336	2.7
71.01254	72.6
71.50975	1.7
72.01581	1.4
72.99175	7.5
73.02817	14.1
78.95764	3.5
79.01570	1.4
83.01250	3.4
83.04966	1.8
85.02818	14.3
87.00742	14.8
88.98668	2.3
89.02318	100.0
93.03323	12.0
95.01236	1.6
96.95866	2.9
99.00757	5.7
101.02320	52.9
103.99348	1.6
111.00705	1.9
111.04348	2.2
113.02325	15.6
119.03410	8.6
119.04852	2.8
125.02309	2.9
127.03810	1.8
131.03398	42.3
135.04453	3.3
137.02344	2.4
149.04459	92.2
150.04764	3.0
161.02237	2.6
161.04442	3.5
173.04431	5.8
177.01764	2.5
179.05479	1.9
191.05544	53.4
192.05836	3.7
201.57822	1.8
251.07613	2.8
255.02953	20.3
268.03967	2.5
283.02405	8.5
283.05536	1.6
284.03256	29.2
285.03900	10.8
286.03949	2.6
293.08868	1.6
299.05698	10.3
300.05673	2.8
311.09619	2.2
330.45547	1.7
399.23950	3.3
449.14212	2.6
531.28210	36.3
532.28333	4.2
546.90375	1.8
591.17236	7.6
592.14191	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	591.257
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27274	0.7
57.03323	0.8
59.01245	4.5
61.98699	32.9
62.50148	0.6
63.11820	0.8
66.37444	0.9
67.01759	1.2
69.03328	1.2
69.56380	0.7
70.62953	2.2
71.01257	4.8
73.02779	1.0
75.08192	0.7
78.95772	100.0
80.02551	1.7
81.03309	2.0
82.95264	1.3
83.02363	0.7
83.04872	6.7
84.02039	1.3
84.70617	0.6
85.02807	2.5
85.71713	0.7
87.00728	1.9
89.02347	1.3
93.03332	5.7
96.95941	1.0
96.96230	0.9
96.96829	7.9
101.02303	1.6
111.04469	1.0
113.02310	0.7
116.18708	0.7
127.03848	0.9
134.03618	0.8
134.98441	1.1
135.04375	1.4
135.08081	1.5
149.04385	0.9
152.99477	57.9
163.11206	6.0
165.12782	3.9
171.00591	1.1
173.04453	3.6
187.03734	0.9
191.05536	20.8
191.10640	1.2
209.11757	86.0
210.12068	5.5
211.13171	0.9
227.03438	1.7
227.10741	1.2
227.12836	14.1
228.13080	0.9
255.02934	6.0
283.02472	2.9
284.03214	6.2
285.04074	2.5
363.12125	41.1
364.12421	3.0
381.13193	10.9
399.18283	1.2
438.37012	0.9
470.75543	0.8
531.27576	1.6
579.16522	0.8
591.25696	50.6
592.14545	2.4
592.25952	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	591.248
Annotation	Tiliacorinine 2'-N-oxide
Peak:m/z	Relative Intensity
54.08572	0.3
59.01245	1.2
63.96106	1.1
69.03337	0.8
70.82832	0.8
71.01255	6.0
72.99189	0.3
73.02838	2.0
78.95770	0.4
78.98470	4.8
79.95120	0.3
79.95236	0.2
79.95604	11.9
80.96394	65.2
81.03326	1.1
83.01241	0.5
85.02821	3.2
87.00758	2.4
87.04378	0.3
92.87075	0.3
93.03334	0.7
94.97963	15.8
96.95903	1.1
97.02825	1.6
99.00736	0.7
101.02322	3.3
106.97961	2.5
117.08611	0.4
122.97475	5.8
125.02351	3.2
127.03918	1.1
134.97479	4.0
135.04379	0.4
136.99036	0.9
148.99055	5.9
151.91612	0.4
152.98546	7.7
161.02332	0.3
164.98553	12.0
165.12761	0.9
166.13063	0.4
182.99611	2.3
183.13309	0.3
191.05537	3.0
206.99611	3.3
225.00696	20.2
226.01138	0.4
230.86037	0.3
233.11554	0.4
243.01772	2.0
247.20738	0.3
260.64206	0.3
273.18826	0.3
291.19623	2.3
299.04416	3.3
422.98764	0.3
591.24805	100.0
592.25092	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	591.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86470	0.6
50.99819	0.5
57.49681	0.5
59.01251	5.0
60.99176	13.5
64.60260	0.6
67.17392	0.6
71.01247	2.2
71.51852	0.6
72.99184	2.4
73.02812	0.8
77.00533	1.4
82.31451	0.5
85.02835	2.9
87.00756	3.5
88.00264	4.1
88.98677	100.0
89.02317	20.6
89.99000	0.7
90.01830	1.4
93.02841	0.6
93.03312	3.2
94.07353	0.6
95.56884	0.6
97.83953	0.5
99.00732	0.7
101.02319	2.3
101.59352	0.6
113.02323	0.8
121.02831	0.7
125.02307	0.9
127.03893	0.8
131.03397	1.1
132.31490	0.6
135.04341	0.7
147.06589	0.9
149.02422	0.7
149.04451	3.2
150.03139	0.6
151.03972	0.8
153.05499	1.2
155.10660	1.0
159.40395	0.7
161.02409	0.8
161.04485	0.7
165.05466	1.4
166.02606	0.7
172.37666	0.6
173.04433	1.7
179.03665	1.5
181.05119	1.0
183.93195	0.6
191.03761	1.2
191.05531	25.2
192.05856	1.4
215.09177	1.8
255.02911	4.3
269.04431	1.1
283.02426	3.9
284.03137	1.1
285.03949	4.3
373.12912	1.1
404.81677	0.7
417.17944	0.8
433.26157	0.7
447.09274	2.0
557.30145	0.7
591.22498	0.9
592.13232	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13868	0.4
57.76783	0.4
59.01270	1.9
61.98707	1.0
63.96113	1.5
67.01767	0.4
68.99683	0.4
69.03343	0.8
70.99107	1.0
71.01255	8.1
72.99191	0.6
73.02823	2.0
78.95788	2.2
78.98462	5.9
79.95607	12.9
80.96394	72.5
81.03332	0.7
81.89543	0.4
84.57310	0.4
85.02824	3.8
87.00763	3.3
89.02364	0.6
93.03349	2.4
93.03848	0.4
94.97966	16.4
95.01256	0.6
96.95894	1.6
97.02831	2.2
99.00771	0.9
101.02293	3.1
106.97977	3.3
113.02364	0.5
120.87019	0.4
122.97483	6.4
125.02328	3.5
127.03903	1.1
133.02864	0.9
134.97485	4.2
135.04428	2.5
136.99054	1.7
148.99052	6.5
152.98523	7.1
152.99564	0.5
161.02335	0.8
164.98567	12.0
165.12769	1.1
167.00121	0.5
173.04448	1.5
179.00142	0.4
179.03339	0.7
182.73532	0.4
182.99614	2.2
188.98447	0.4
191.05547	11.1
192.05887	0.5
196.98109	0.3
206.99612	3.4
225.00710	20.3
226.01070	0.5
243.01772	1.9
247.20601	0.8
255.02910	0.5
278.11502	0.5
291.19629	2.1
292.19846	0.7
299.04434	3.7
329.35434	0.4
372.95996	0.5
399.17825	1.3
412.05093	0.5
556.71503	0.4
591.24792	100.0
592.25110	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	590.3095
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	21.1
61.98705	2.3
66.54872	0.4
67.01746	0.6
69.03324	0.4
69.32133	0.6
69.32464	4.0
70.41509	0.4
71.01247	1.6
73.62682	0.4
78.95776	12.0
79.95637	0.5
80.96393	3.1
83.04926	0.7
85.02815	2.5
87.00739	1.1
89.02313	0.7
93.03331	3.2
94.97956	0.8
96.96820	1.0
98.20517	0.7
101.02322	0.7
109.02821	0.7
111.04432	0.5
119.04887	0.9
122.97402	0.6
125.05965	0.4
126.37472	0.4
132.02080	0.6
133.02870	0.5
135.04422	1.8
145.02869	0.5
148.08817	0.9
150.03035	0.4
150.10403	1.0
152.99512	3.5
160.01546	0.8
161.02336	0.7
161.07610	0.5
163.11200	0.9
164.98495	0.6
165.12761	23.0
166.13025	1.0
168.04257	2.2
173.04492	2.0
179.03448	0.7
191.05534	15.4
191.14394	1.0
192.05983	1.0
211.13406	0.7
217.15797	0.5
224.06808	1.3
225.00703	0.8
242.07945	4.6
247.20634	11.5
248.21062	1.3
273.18600	6.6
274.18854	0.7
291.19656	100.0
292.19968	8.4
305.21225	3.4
308.08780	0.5
308.15552	0.4
355.19202	1.0
371.14426	0.5
371.18753	0.9
399.18015	4.5
516.27289	51.4
517.27509	7.2
530.28931	0.8
591.24640	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	589.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	1.0
61.98708	1.1
67.01771	0.3
68.99704	0.4
69.03336	0.3
70.12095	0.2
71.01258	1.1
71.51285	0.3
73.02825	0.2
85.02808	0.6
87.00745	0.5
89.02325	0.6
93.03335	1.7
96.95882	0.4
99.00782	0.3
101.02332	0.6
108.02061	0.4
109.02861	0.5
111.04414	0.6
113.02333	0.4
119.04872	0.3
121.02859	2.3
122.03636	8.8
123.00757	0.3
123.04418	0.4
124.01556	0.9
132.04480	0.3
133.02823	0.5
135.04428	2.5
136.01540	0.4
137.02344	1.9
137.05969	0.8
149.02351	3.4
149.31271	0.2
150.03139	13.4
151.00275	0.4
151.03958	1.0
153.01852	0.4
154.02646	1.3
155.03363	0.3
161.02347	1.6
164.04686	2.0
165.01836	1.7
165.05502	14.3
166.06247	1.8
167.07060	100.0
168.04204	0.8
168.07401	4.5
173.04486	0.5
176.04730	0.8
177.01907	0.5
179.03479	1.7
179.07051	2.0
180.04207	2.6
181.04890	0.6
183.06583	0.3
191.05563	3.2
191.07086	0.5
192.04283	0.5
192.05858	0.4
192.13972	0.2
193.08659	0.4
194.05800	2.0
195.02908	0.4
195.06567	10.4
196.06972	0.6
204.36581	0.2
205.27116	0.2
207.06635	0.8
209.08142	6.3
210.05339	0.6
210.08449	0.4
221.08174	1.3
225.05463	0.3
225.07657	4.6
226.07953	0.2
239.09396	0.3
255.02924	0.3
271.05756	0.3
284.03226	0.3
285.04034	0.3
317.01257	0.6
345.13501	0.7
357.13550	0.4
373.12180	0.3
421.14862	0.5
446.08301	0.2
541.20209	0.2
589.23163	2.2
590.22656	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64661	0.9
55.01754	1.1
55.20141	0.8
56.78442	1.0
57.03318	5.2
59.01249	19.8
61.98701	85.3
65.03809	1.1
67.01752	3.4
68.99689	11.4
69.03320	16.0
71.01257	14.4
71.08540	2.5
72.99171	2.3
73.02807	1.4
83.01242	2.8
85.02822	6.5
87.00737	1.6
87.04390	18.3
89.02316	13.0
93.03334	23.0
95.01248	1.3
95.04911	2.9
96.95862	1.3
97.02831	1.7
99.00770	1.1
101.02322	30.7
107.04890	2.9
109.02834	1.5
113.02334	5.9
115.03853	2.0
119.03383	5.1
119.04823	1.0
121.02842	31.3
121.06480	10.5
123.04398	2.6
127.03928	5.7
131.03404	1.9
133.04958	100.0
134.03613	3.1
134.05287	2.1
135.04408	1.7
136.01530	1.0
137.02342	1.6
139.03862	1.0
145.06561	1.5
147.04378	1.1
149.02303	5.0
149.06010	4.8
149.71542	1.2
150.03163	4.8
151.03905	4.0
153.05473	17.6
155.03474	1.3
158.03633	1.3
163.03929	1.2
165.01843	3.5
165.05504	10.4
166.02620	2.4
167.06972	1.3
171.04382	1.7
173.04550	1.3
173.05965	3.9
175.03952	1.7
179.03430	5.9
179.05521	1.2
181.05005	6.5
187.07555	1.0
189.05469	0.9
191.03909	0.8
191.05522	5.0
191.07092	2.8
192.05928	1.4
195.06546	2.4
197.04480	14.0
201.82947	0.9
202.07120	1.3
205.08643	2.3
217.04958	1.4
235.05981	1.2
249.07587	3.0
263.05731	1.2
281.06836	1.1
294.68622	1.0
295.08331	1.6
309.10068	0.9
313.09024	1.3
341.08731	9.2
343.11765	1.6
367.21155	2.2
411.12943	1.1
429.13980	25.4
430.14331	2.2
473.12967	44.8
474.13269	4.4
545.18622	15.5
546.19067	1.6
589.17804	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	587.307
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	9.8
61.59026	0.6
61.98698	2.3
71.01254	4.3
73.02802	0.5
77.10669	0.5
78.60620	0.5
78.95767	2.1
85.02826	1.9
87.00751	1.0
89.02323	3.3
93.03342	2.5
101.02319	3.6
111.04396	0.7
113.02321	1.3
119.03345	0.9
125.02367	0.7
133.02812	1.5
135.04430	3.4
148.08807	0.7
150.10400	1.0
152.99501	2.9
161.02359	1.6
161.04417	0.9
165.12761	12.2
171.10193	3.0
173.04449	2.2
174.03069	0.7
178.02654	0.7
179.03406	1.6
191.05547	11.6
192.05713	1.1
197.11685	1.0
201.11317	0.8
209.11765	1.5
215.07188	0.7
247.20654	7.8
248.20998	0.9
253.09256	15.6
254.09410	0.7
273.18643	3.8
291.19653	100.0
292.19971	9.5
295.05963	0.6
299.65405	0.6
353.08972	0.6
361.80692	0.8
399.14017	0.8
452.73584	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77388	0.3
57.03321	0.7
58.47923	0.2
59.01252	3.0
61.98699	100.0
62.85260	0.2
67.01755	0.6
68.99690	1.7
69.03328	2.1
69.23459	2.5
69.54683	0.2
71.01247	2.4
72.99184	0.4
83.01270	0.4
85.02846	0.9
87.00752	0.5
87.04388	2.0
89.02313	2.6
93.03332	3.2
95.01292	0.4
95.04921	0.5
96.95872	0.3
99.00767	0.5
101.02319	4.2
107.04903	0.5
113.02348	1.0
119.03409	0.9
121.02834	5.0
121.06503	1.4
121.07248	0.2
123.04412	0.3
127.03923	0.8
131.03418	0.4
133.04959	15.7
135.04395	0.3
137.02373	0.4
145.06577	0.3
149.02367	0.9
149.05894	0.6
150.03143	0.7
151.03932	0.6
153.05504	2.2
155.03400	0.6
161.04526	0.3
163.03976	0.4
165.01830	0.6
165.05476	1.4
166.02623	0.3
173.05992	0.6
179.03506	0.8
181.05025	0.9
191.05586	1.1
191.07098	0.3
195.06548	0.7
197.04465	2.0
205.08722	0.4
207.06583	0.3
249.07738	0.7
267.08636	0.3
313.09439	0.5
341.08640	1.5
429.13864	4.3
429.19037	0.4
473.12988	7.3
545.18652	2.9
588.18951	0.6
589.18774	0.8
592.25220	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14091	0.4
58.00467	0.8
59.01254	15.4
61.98703	53.9
65.03837	1.1
67.01756	1.9
68.99686	8.0
69.03327	11.2
69.48650	1.2
69.49055	3.5
71.01256	9.8
72.99187	0.8
73.02814	2.0
83.01276	2.0
85.02825	4.5
85.06465	18.8
86.06798	0.5
87.00748	1.0
88.11015	0.5
89.02318	9.4
91.01771	0.6
93.03340	17.0
93.03931	0.9
94.03638	0.6
94.56947	0.5
95.01276	1.0
95.04906	1.4
97.06464	0.6
98.73466	0.5
101.02325	18.0
106.04111	0.7
107.04906	2.2
113.02346	3.3
119.03366	3.0
121.02843	21.1
121.06492	8.0
122.03151	1.0
122.06736	0.5
123.04397	1.1
127.03929	4.0
131.07037	100.0
132.07364	2.8
135.04414	1.4
137.02341	1.1
145.06491	1.3
147.04439	0.9
149.02330	1.5
149.04498	0.9
150.03113	0.7
151.03903	1.6
153.05476	13.5
154.05786	0.8
155.03386	0.7
158.03635	0.5
161.02403	0.6
163.07681	0.5
165.01830	2.6
165.05464	3.5
166.06323	0.5
171.04404	1.2
173.04451	1.6
173.05995	3.3
179.03387	6.2
179.05084	0.5
179.05603	0.6
180.04033	0.7
181.04979	1.7
181.08601	1.0
189.05510	0.5
191.05550	9.5
191.07066	1.4
192.05846	0.8
197.02876	0.3
197.04498	9.7
205.08676	1.5
220.35826	0.4
223.09673	1.1
249.07692	2.1
267.08820	1.1
273.07666	0.6
285.04187	0.5
309.09763	1.1
311.11493	1.9
329.13770	0.7
341.08740	10.0
389.03497	0.5
411.13303	0.9
429.13971	22.6
430.14520	1.5
453.94205	0.5
473.12994	34.1
474.13135	2.7
543.20801	15.0
544.20953	2.3
587.21545	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.3449
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13133	0.1
59.01252	1.5
59.82025	0.1
61.51067	0.1
61.98703	100.0
62.98412	0.2
66.28486	0.1
67.01745	0.3
68.99659	0.2
69.03333	0.5
70.80293	0.3
71.01258	1.1
72.99168	0.3
73.02826	0.5
83.04903	0.2
85.02843	0.8
87.00765	0.5
88.98734	0.2
89.02327	0.6
93.03341	1.4
95.01266	0.3
96.95891	0.4
97.02800	0.2
101.02333	0.9
108.02093	0.2
109.02825	0.2
110.28954	0.1
111.04401	0.2
113.02328	0.3
119.03423	0.2
119.04800	0.2
121.02831	0.3
122.03732	0.2
125.02403	0.2
127.03965	0.3
129.09096	0.4
131.03461	0.1
131.07088	0.2
133.02893	0.4
134.03632	0.2
135.04453	0.4
137.02359	0.5
149.02309	0.4
149.04521	0.2
150.03133	0.5
151.03883	0.3
153.05501	0.3
155.03461	0.3
161.02312	0.2
165.01848	1.3
165.05472	0.8
166.02240	0.5
172.96809	0.1
173.04521	0.9
175.09677	1.0
179.03447	0.6
179.07005	0.2
180.04239	0.9
181.04729	0.4
191.05554	6.1
192.05853	0.7
195.06520	1.3
196.06967	0.5
197.08177	0.2
199.09814	0.2
225.07671	0.8
226.08034	0.4
284.03320	1.0
285.04022	2.2
285.06815	0.2
286.04184	0.2
323.82410	0.2
329.13962	0.3
341.14313	0.2
353.08911	0.1
429.14087	0.4
442.14896	0.2
447.09662	0.1
449.14526	0.3
586.15497	0.9
586.25018	0.1
586.29211	0.2
587.16101	0.5
587.24103	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	1.6
61.98702	100.0
69.03316	0.3
69.27061	1.8
69.27483	0.5
71.01262	0.7
78.95841	0.2
83.02391	0.6
84.00780	0.4
84.01917	0.9
85.02826	0.4
86.99010	0.5
87.00761	0.4
89.02327	0.8
93.03345	0.7
96.95901	0.8
101.02331	0.6
113.02351	0.3
121.02859	0.4
122.03626	0.3
123.04390	0.3
129.05490	1.7
130.05833	0.3
133.82248	0.3
137.02371	0.6
146.03520	0.2
147.04500	0.6
149.02322	0.3
150.03114	1.2
151.03908	0.6
153.05515	0.3
155.03438	0.3
165.01881	0.7
165.05487	2.7
166.02495	0.3
173.04517	0.7
180.04189	0.7
181.04962	0.3
191.05525	2.9
191.07112	0.4
192.05978	0.2
194.04561	0.3
195.06541	1.6
199.09882	0.2
201.16820	0.2
237.27260	0.3
391.17972	0.5
539.22656	0.3
558.24982	0.3
587.23883	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	4.2
59.01255	4.3
61.98695	1.6
66.72056	0.5
69.03347	0.7
69.25668	5.8
71.01250	0.9
78.95776	20.2
80.96374	0.6
85.02837	0.6
93.03338	2.4
95.96057	0.7
96.96832	2.4
97.06472	0.9
102.34497	0.5
109.02841	0.6
109.06451	1.1
113.09613	16.0
114.09969	0.6
122.98415	1.3
125.09602	0.8
133.02861	0.6
135.04399	1.7
139.11189	1.8
152.98338	0.9
152.99500	11.2
167.10674	2.0
168.04228	4.6
171.00629	0.7
172.00551	0.5
173.04445	1.3
176.30556	0.5
177.11218	0.5
177.12717	1.4
179.10735	1.5
179.14331	1.2
191.05545	6.2
192.05908	0.8
195.13828	8.7
197.11798	0.7
205.12308	2.8
223.13351	18.8
224.06825	2.9
224.13773	1.0
242.07947	7.9
249.22136	2.5
254.69983	0.6
293.21219	100.0
294.21548	10.5
295.22824	0.8
307.22787	3.5
311.22375	1.0
375.15729	1.3
407.50586	0.7
420.21710	0.7
447.21423	0.9
448.20914	2.6
449.21097	0.6
473.23123	0.9
505.66974	0.7
518.28900	6.3
519.29224	2.0
536.30054	9.7
537.30194	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	586.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49535	0.2
59.01251	0.7
59.02443	0.2
61.98701	100.0
67.01764	0.3
68.99670	0.3
69.03333	0.2
70.95908	0.6
71.01259	0.4
73.02814	0.3
73.03947	0.8
78.95780	0.2
81.04688	0.2
82.06521	0.2
82.95300	0.2
83.02372	0.8
84.04416	0.5
85.02826	0.5
87.00770	0.5
87.05521	1.4
93.03352	1.0
93.78430	0.2
96.95912	0.4
97.03986	0.3
98.02354	0.5
101.02313	0.5
102.05482	4.5
105.05269	0.2
109.02876	0.2
111.04462	0.3
115.05022	2.2
119.04890	0.6
120.41723	0.2
121.02817	0.5
123.04391	0.3
125.02333	0.3
126.06577	1.5
127.03994	0.2
128.03426	11.4
129.03406	0.4
129.10249	0.7
130.08621	3.5
133.02870	0.4
135.04425	0.7
137.02371	0.4
139.08656	0.4
140.07057	0.6
144.07668	1.3
145.02872	0.3
146.04526	3.4
147.04428	3.1
149.02341	0.9
150.03122	2.1
151.03915	0.5
155.03346	0.3
155.11789	0.6
157.13382	0.3
161.02386	0.8
161.06134	0.2
163.03949	0.5
164.04721	0.4
165.05484	7.7
166.02686	0.3
168.07706	3.1
171.14946	0.6
173.04504	1.1
174.70471	0.2
175.09683	0.5
177.01871	0.5
179.03374	0.9
183.11328	0.3
186.08740	1.9
191.05530	4.4
192.05865	0.6
194.05641	0.3
195.06519	1.3
199.09612	0.2
203.03716	0.2
207.15063	0.3
209.08101	0.4
215.14012	0.3
225.16103	0.6
252.20706	0.3
270.21866	0.9
399.25934	0.5
403.14911	0.4
413.24118	3.6
457.26724	1.7
512.69250	0.3
537.32397	0.2
542.28308	7.5
543.28717	1.2
586.30908	11.8
587.22791	0.4
587.31158	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	585.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03013	0.4
59.01250	1.8
61.98692	2.3
67.01767	0.4
68.99680	0.4
69.03334	0.5
69.22553	2.4
69.22982	1.5
71.01272	0.5
77.03852	0.4
78.91818	0.4
85.02846	0.6
87.00784	0.4
93.03340	5.7
95.01279	1.1
95.04922	0.5
98.19743	0.7
101.02310	0.5
107.04889	0.5
108.02077	0.6
109.02852	2.0
114.35729	0.4
121.02848	8.4
122.03641	16.4
123.04447	0.9
125.02263	0.4
132.02072	0.9
133.02852	2.7
134.03641	1.8
135.04414	3.4
136.01582	2.0
137.02356	1.5
139.16388	0.4
146.03615	0.5
147.04355	1.0
149.02354	40.6
149.06004	0.9
150.03134	100.0
151.03482	5.3
151.31169	0.3
152.03671	0.4
153.01897	0.5
153.05431	0.5
156.11134	0.4
160.01501	0.5
161.02319	0.9
162.03056	0.9
163.03917	10.1
164.04713	8.1
165.05487	95.3
166.05835	6.1
173.04295	0.6
175.03891	1.3
176.04553	0.5
177.01952	0.4
177.05556	0.5
179.03485	0.6
179.07065	1.4
180.04201	6.6
181.04907	0.5
189.05513	0.7
190.06322	1.5
191.03596	0.5
191.05530	6.2
191.07082	0.7
192.07651	0.4
193.05054	0.9
194.05785	0.7
195.06564	59.2
196.06917	4.5
205.08669	1.1
207.06458	0.6
208.07373	0.9
223.09697	0.5
242.09395	0.7
250.12962	0.4
257.11981	0.4
270.08984	1.2
282.08826	0.4
283.09653	1.8
284.07013	0.8
284.10101	0.6
285.11453	1.9
286.08652	0.7
295.09668	0.5
296.07034	0.4
297.07675	0.7
297.10889	0.5
298.08322	1.1
299.09186	1.6
299.12491	0.7
300.09589	0.5
301.10864	0.8
310.08273	0.7
311.09189	1.4
313.10684	1.0
314.07819	1.8
324.09628	0.4
325.10791	0.9
326.07971	0.6
326.11615	0.8
327.12418	4.2
328.09326	0.8
328.13080	6.7
329.10266	4.8
329.13696	0.9
330.10931	1.5
341.10397	4.6
341.13968	0.7
342.10590	0.7
343.15414	1.4
344.12598	5.7
345.13205	1.4
355.12021	0.5
356.12668	2.2
357.13217	1.1
359.15002	23.3
360.15308	2.3
371.14944	12.9
372.15204	1.4
389.16245	0.5
449.16064	0.5
461.15894	1.1
463.17514	1.2
492.17996	0.6
507.20282	7.9
508.20789	0.9
519.19904	0.9
537.21307	40.8
538.21661	8.0
585.23108	2.8
586.22705	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	0.8
61.98696	1.2
70.99695	0.8
71.00042	0.3
93.03344	4.1
95.01230	0.5
101.02346	0.4
101.31625	0.4
109.02902	0.4
121.02834	4.1
121.30674	0.4
122.03635	12.6
123.04445	0.8
133.02866	1.6
136.01576	1.0
137.02319	0.4
141.60359	0.5
147.04501	0.4
149.02348	16.9
150.03128	87.5
151.03441	4.1
155.03400	0.9
164.04721	3.5
165.05479	100.0
166.05836	6.3
180.04210	6.1
181.04721	0.4
183.58440	0.4
191.05542	2.1
195.06554	75.9
196.06888	3.4
223.09642	0.5
226.06317	0.4
242.09447	0.6
270.08890	1.1
285.11301	1.8
286.08578	0.5
295.06287	0.5
298.08453	1.2
299.09232	1.0
300.09543	0.4
310.08344	0.6
311.09219	0.4
313.10919	1.0
314.07852	1.3
325.10767	1.0
326.07913	0.7
326.11584	0.6
327.12311	0.9
329.10223	4.5
330.10840	0.8
341.10278	5.5
341.14233	0.4
342.10663	0.6
344.12640	6.2
345.13049	1.1
356.12506	2.0
359.15005	18.8
360.15262	2.0
371.15009	15.7
372.15436	1.7
440.74591	0.4
507.19931	0.9
537.21246	1.3
538.21661	0.5
585.22559	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	585.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01888	0.9
61.59230	0.9
61.98713	1.2
64.22512	0.7
71.14930	0.6
93.03329	3.7
95.04855	0.8
102.59496	0.7
105.67719	0.7
121.02836	5.3
122.03631	12.9
132.01987	1.1
133.02844	1.8
149.02350	35.8
150.03136	90.8
151.03548	4.3
153.92039	0.7
155.23079	0.8
164.04730	7.2
165.05489	100.0
166.05797	5.9
169.58180	0.8
179.07016	1.7
180.04196	6.6
191.05536	1.7
195.06560	61.7
196.06953	3.7
270.08948	2.2
283.09830	1.7
285.11453	2.6
299.09274	2.1
313.10593	1.0
314.08093	2.6
325.10495	1.2
327.12418	4.4
328.13092	7.4
329.10345	6.0
341.10349	6.7
341.13977	1.5
342.10651	1.2
343.15454	1.8
344.12610	8.0
345.13031	1.1
356.12738	1.8
359.15027	22.5
360.15442	2.2
364.37073	0.8
370.13843	1.0
371.14978	15.1
372.15344	2.0
461.15906	0.9
463.17374	1.0
492.18039	0.8
507.20273	9.0
508.20514	0.9
519.20490	1.6
537.21259	41.9
538.21558	7.3
585.23138	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	584.3287
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57605	0.1
52.16486	0.1
54.51277	0.1
55.73151	0.2
59.01254	0.9
61.98704	100.0
62.98405	0.2
67.01741	0.2
67.14623	0.1
69.03329	0.2
70.03631	0.1
71.01263	0.7
72.99184	0.2
73.02831	0.4
78.95788	0.3
85.02831	0.9
87.00764	0.4
87.04372	0.2
89.02319	0.4
90.98488	0.2
91.36630	0.1
93.03342	1.0
94.03622	0.1
95.01272	0.2
96.95898	0.2
97.06489	0.1
101.02348	0.4
111.04440	0.2
121.02905	0.1
122.03660	0.2
123.04414	0.2
130.39142	0.1
133.02815	0.1
135.04453	0.3
137.02371	0.2
149.02368	0.5
150.03108	0.9
151.03792	0.2
153.01936	0.2
155.03406	0.2
161.02405	0.2
164.04622	0.1
165.01869	0.2
165.05487	0.9
173.04510	0.5
174.01793	0.2
174.03200	0.1
180.04263	0.2
191.05540	5.0
192.05891	0.4
195.06557	1.0
207.06625	0.1
211.03648	0.1
229.65102	0.2
235.42029	0.1
243.02846	0.1
271.66354	0.1
285.04022	0.2
296.03329	0.1
313.07047	0.1
336.32318	0.1
343.11728	0.2
355.11948	0.2
449.14340	0.2
523.35077	0.2
524.35114	0.8
537.21289	0.2
585.24591	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78733	0.8
57.03314	2.2
58.00456	1.9
59.01249	8.4
60.99170	0.9
61.81524	0.8
61.98688	3.8
63.71625	0.8
67.01754	13.4
68.99691	9.7
69.03327	17.7
71.01250	4.2
72.99174	1.1
73.02817	4.6
75.00750	1.6
78.95793	1.6
83.04905	1.5
85.02836	4.4
87.00747	1.8
87.04385	7.8
89.02308	3.0
93.03324	5.6
93.93893	0.8
95.01249	1.5
95.04900	45.7
96.05233	1.3
97.02809	3.0
99.00758	0.9
99.04415	1.4
101.02323	21.5
104.17509	0.9
105.03294	1.0
106.66794	0.8
109.02792	0.9
111.00764	16.7
111.04394	2.6
113.02306	1.9
115.03934	1.0
119.04906	2.0
121.02843	47.4
121.06458	3.0
122.03188	1.9
123.04408	14.7
125.02315	1.8
127.03909	24.3
133.02829	4.7
134.03650	1.2
135.04407	3.8
135.08061	1.6
137.02336	0.9
137.05948	1.4
137.09619	15.5
139.00275	25.1
139.03851	5.0
140.00604	1.0
143.03372	1.4
147.04451	4.7
149.02373	4.6
149.05927	1.1
149.45293	0.7
150.03102	2.8
151.03734	1.1
155.10681	100.0
156.11038	4.0
161.02324	1.3
161.04456	1.4
165.05492	15.2
166.05859	1.4
169.12257	5.1
173.04463	3.9
177.01759	1.8
179.03421	2.3
179.07036	1.9
179.10619	0.9
181.04919	2.0
181.08623	5.4
191.03650	1.3
191.05534	16.6
192.05711	1.3
195.06587	1.9
195.10243	1.1
199.09689	96.5
200.00784	1.0
200.10027	4.9
209.04498	3.9
209.11748	3.4
211.13286	2.7
213.11238	4.5
215.05603	2.0
223.06146	4.7
241.07156	5.2
241.10786	24.5
242.11087	1.7
271.11951	4.5
283.11917	3.9
301.12885	19.6
302.13184	1.1
343.13995	3.0
351.07175	3.0
361.14996	18.7
362.15332	1.4
373.11270	1.7
374.06021	2.1
393.13205	3.1
413.18207	4.8
509.20395	6.5
510.20776	1.1
553.19318	14.8
554.19666	3.5
585.21820	36.1
586.22144	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	583.4003
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	1.6
58.30913	1.0
59.01244	1.3
59.61370	0.9
69.85899	1.0
70.82989	2.8
73.88710	1.0
80.96381	5.3
111.08027	0.9
127.11158	1.6
151.11115	2.3
153.09206	1.2
153.12730	2.7
163.11156	2.1
164.98502	1.1
165.12746	11.3
167.10674	1.5
181.12251	1.9
197.11748	2.3
200.27847	1.0
207.13786	1.4
247.20607	9.8
273.18616	4.0
281.21115	1.3
291.19656	78.0
292.20038	8.2
309.20691	100.0
310.20959	8.1
380.23120	1.1
473.32458	1.9
521.39893	1.5
556.03796	1.2
565.38824	10.2
566.39063	2.3
583.31342	8.2
583.39899	2.0
584.31360	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01628	0.3
53.10447	0.3
55.31702	0.3
57.02602	0.3
57.03307	0.4
59.01250	2.4
61.98701	100.0
62.98392	0.4
68.99688	0.5
69.03320	0.5
69.33529	2.9
71.01244	2.6
73.02804	0.7
78.95779	0.5
85.02843	1.5
89.02318	1.2
93.03341	2.1
94.61661	0.3
96.95894	0.4
97.02837	0.4
98.20560	0.6
101.02335	1.3
103.03877	3.1
109.02827	0.4
109.42301	0.3
121.02831	0.8
122.03616	1.1
123.04424	0.6
125.02337	0.4
135.04443	0.7
137.02374	0.7
149.02359	2.1
150.03145	7.7
151.03557	1.3
157.05016	0.4
159.95923	0.3
161.02371	0.6
162.03018	0.3
163.03781	0.3
164.04710	0.6
165.01854	1.4
165.05479	9.1
165.06888	0.6
166.02606	0.3
166.05832	1.8
167.37364	0.3
173.04478	0.7
174.43590	0.3
175.03873	0.4
175.07550	0.5
179.01791	0.3
179.03429	0.8
180.04216	1.2
191.03850	0.3
191.05528	6.4
191.07175	0.5
195.06551	6.0
196.06929	0.6
197.08148	0.5
225.05612	0.4
227.07179	0.3
240.04303	1.1
248.97003	0.3
255.06601	2.2
256.07529	0.4
258.77695	0.3
270.08914	2.0
271.09814	1.0
284.72733	0.3
299.08865	0.4
301.10800	1.6
328.13174	0.4
329.10339	0.5
329.13885	0.4
332.38644	0.3
333.45486	0.3
341.10242	0.5
344.12537	0.6
359.15155	1.4
369.13535	0.4
370.13800	0.4
371.14914	0.9
380.12921	0.3
392.59067	0.4
507.20087	2.3
536.20184	0.6
537.21191	2.4
584.24780	0.7
585.23438	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.37
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81730	1.1
57.03319	3.0
58.83580	1.1
59.01251	34.1
59.34240	1.2
61.98704	100.0
67.01756	2.4
69.03337	2.5
69.20074	3.0
69.20486	9.9
71.01255	30.5
73.02819	64.1
78.95779	1.6
79.05421	2.5
80.96419	1.9
81.03329	1.4
83.01275	3.4
85.02825	15.9
87.00763	4.5
87.04398	2.0
87.79824	1.4
89.02321	13.8
93.03344	8.6
94.03703	1.3
95.01279	4.1
95.04925	5.1
96.95924	1.4
97.02835	2.5
97.06464	28.6
98.06735	1.7
99.00780	1.9
101.02328	16.0
108.02087	4.6
109.02869	1.8
111.04403	1.6
113.02328	12.1
114.71454	1.1
119.03393	3.4
121.02856	5.5
122.03637	5.8
123.00821	2.7
123.04411	45.8
124.04726	1.7
133.02875	1.7
134.03636	1.8
135.04434	4.2
136.01587	3.7
137.02354	7.4
138.03152	1.9
141.05478	20.4
143.03415	1.5
145.02847	1.3
145.28133	1.5
148.03920	2.4
149.02353	10.9
150.03139	37.4
151.00246	1.5
151.03778	5.0
151.07538	3.2
152.08318	3.1
153.01900	1.1
153.05508	1.4
153.09122	13.4
155.03413	1.6
157.01064	1.2
161.02357	2.3
161.04474	3.0
163.04010	4.2
163.11238	1.9
164.04756	3.6
165.01831	1.8
165.05486	44.4
165.06871	2.6
166.02664	4.2
166.05872	4.2
173.04570	4.3
175.03889	1.7
177.01852	1.4
177.05447	1.6
179.03441	6.6
180.04156	2.3
181.05014	4.1
181.12325	1.6
189.05533	2.4
191.05545	33.1
192.05981	4.7
193.04842	1.7
193.06357	1.6
194.05884	3.8
195.06537	16.3
196.06831	1.9
199.38400	1.2
205.05049	3.3
205.12282	6.9
209.08215	5.4
213.07596	1.6
223.13358	2.5
225.11354	5.6
285.04010	3.1
337.10748	1.7
338.07828	1.8
341.10165	1.5
342.10959	2.6
356.12457	1.4
357.13324	4.9
361.29803	6.1
385.18671	2.5
387.14749	4.1
444.16159	1.5
447.09488	1.9
490.15372	1.7
505.18347	2.6
521.16846	1.6
523.19141	1.7
523.26953	3.4
523.34869	52.5
524.35400	7.7
535.19611	9.7
536.20532	1.7
550.99963	1.6
553.20508	2.0
565.22797	1.9
583.27869	73.2
584.19281	2.4
584.28082	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	583.3696
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	1.7
57.03309	2.4
58.00456	1.4
59.01247	26.7
61.98701	100.0
68.99686	2.7
69.03310	1.8
70.91676	2.0
71.01250	18.7
72.99190	1.3
73.02814	11.7
75.00738	1.0
78.95741	1.1
83.01262	2.5
85.02819	9.1
87.00754	3.1
89.02312	11.7
93.03320	7.2
95.01247	1.4
95.04908	3.0
97.06495	1.8
99.00759	1.4
101.02325	15.8
109.02840	1.2
113.02327	6.2
116.92760	1.0
119.03389	4.7
119.04922	0.9
121.02833	2.8
121.06500	1.3
122.03636	2.0
123.04405	2.3
125.02338	1.1
127.03922	1.4
135.04404	2.0
135.08035	1.2
137.02318	1.7
137.77351	0.9
143.03389	1.1
149.02354	3.0
150.03119	9.3
155.03413	1.3
159.02945	1.0
161.04428	3.1
161.05797	1.0
165.01889	1.6
165.05478	12.4
173.04507	2.8
179.05515	2.4
180.04221	0.8
181.05025	1.2
187.21889	0.8
191.05537	24.0
192.05846	4.0
193.06015	2.8
195.06523	8.2
197.88106	0.8
231.13890	6.8
233.08112	1.1
275.12860	5.9
277.10648	1.0
284.03357	0.9
285.03983	1.6
299.09210	1.2
319.12000	1.8
319.15335	1.4
351.14410	2.2
357.09848	2.3
359.27786	0.9
361.29465	6.9
372.11841	1.7
373.15524	1.7
387.14459	6.9
450.44641	0.8
523.34839	56.5
524.35144	9.8
535.19586	4.0
565.21954	2.6
583.23877	18.9
584.24316	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	583.3358
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	1.3
60.01550	0.1
61.98703	100.0
69.45887	0.9
76.23125	0.1
78.95773	1.5
115.91991	0.2
116.92014	0.1
116.92753	0.2
152.99487	0.9
171.00734	0.2
171.66589	0.1
179.89235	0.2
180.89972	0.1
181.88988	0.2
196.89433	0.3
197.89462	0.2
281.24844	3.5
282.25186	4.0
283.25494	3.1
284.25763	1.5
389.42188	0.1
390.38708	0.1
431.54706	0.1
506.32645	0.9
507.32568	0.7
508.33322	0.7
509.33414	1.8
583.18738	0.7
583.34052	0.2
584.19379	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	0.8
61.98726	1.7
62.96191	0.4
63.12040	0.4
69.50792	4.0
93.03346	4.6
95.04944	0.6
98.19858	1.2
101.02285	0.5
108.02045	0.7
108.27216	0.6
121.02831	5.5
122.03632	15.4
133.02847	1.8
134.03633	1.2
135.04431	1.3
136.01619	1.0
137.02339	0.8
137.06067	0.5
148.01637	0.5
149.02347	30.9
150.03127	100.0
151.03487	3.1
160.01474	0.7
163.03940	0.7
164.04677	7.2
165.05478	91.3
166.05809	4.4
173.04449	0.6
177.01823	0.5
177.05440	2.3
179.03522	0.6
179.06999	0.6
180.04216	6.4
181.04478	0.5
191.05498	1.8
195.06552	41.8
196.06874	2.3
212.85065	0.5
219.06494	0.6
267.06726	0.6
267.10214	0.6
268.07388	2.1
280.07373	1.0
283.09760	2.5
293.08261	0.6
295.05945	0.5
296.06757	1.2
297.07788	0.7
297.11371	1.1
299.09036	0.7
307.09512	0.9
308.06912	0.9
308.10342	2.1
309.07550	1.6
309.10968	0.9
311.05725	0.5
311.09238	0.8
312.06265	2.5
313.10605	0.6
322.08487	0.7
323.09177	3.1
323.12698	0.8
324.06079	1.4
324.09857	1.8
325.10715	3.2
326.07993	0.7
326.11484	4.2
327.08698	6.0
327.12125	0.8
328.09018	0.7
337.86914	0.5
338.11572	1.5
339.08713	9.0
339.12387	1.3
340.09064	1.3
341.13889	0.9
342.11038	6.2
354.10977	3.1
355.11502	0.9
357.13443	15.2
358.13724	1.7
369.13434	14.6
370.13672	1.4
443.14767	0.7
446.31845	0.5
457.12878	1.2
461.15656	0.9
487.17773	0.6
490.16364	0.6
505.18726	5.4
506.18982	1.2
517.18524	1.5
535.19720	25.7
536.19812	3.0
583.21899	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	583.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64149	0.4
59.01259	1.3
61.98702	2.0
71.01267	0.9
85.02811	1.0
85.21718	0.4
86.03175	0.4
87.00768	0.7
92.96487	0.4
93.03324	6.6
108.01977	0.6
109.02824	1.1
111.04446	0.7
121.02840	4.9
122.03639	13.1
123.04465	0.6
132.02045	0.5
133.02838	2.2
134.03612	1.7
135.04407	2.0
136.01572	1.6
137.02287	0.8
149.02345	18.1
150.03128	91.9
151.03439	3.9
153.05469	0.7
155.10684	1.4
161.02443	1.0
164.04684	3.6
165.05482	100.0
166.05832	4.3
170.16049	0.5
173.04494	1.8
173.21434	0.5
177.01878	0.6
178.02660	0.8
179.03450	1.1
179.07190	0.8
180.02690	0.7
180.04198	7.2
182.28201	0.5
191.05534	8.3
191.07132	0.7
192.05876	2.0
193.05972	0.6
195.06555	62.9
196.06882	3.6
238.06210	0.8
247.06033	0.9
267.06473	0.8
268.07260	2.3
280.07449	0.7
283.09732	2.1
295.06152	0.8
296.06921	1.0
297.07626	0.7
299.09268	0.7
307.05951	0.5
308.06769	1.6
309.07574	1.8
311.09393	0.8
312.06354	2.1
322.08154	0.8
323.09180	2.8
324.06503	0.9
324.09955	2.0
327.08698	5.6
337.10495	0.7
338.11560	0.9
339.08707	8.6
339.12289	1.1
340.08862	0.6
341.98578	0.6
342.11038	4.5
343.10956	0.6
351.99509	0.6
353.08484	0.9
354.11136	3.1
357.13434	19.2
358.13739	2.0
369.13403	20.6
370.13690	2.5
373.15359	0.6
421.11264	1.5
505.18433	0.9
508.12128	0.5
535.19666	1.0
553.21106	0.5
565.21338	1.6
583.20801	0.9
583.28564	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64149	0.4
59.01259	1.3
61.98702	2.0
71.01267	0.9
85.02811	1.0
85.21718	0.4
86.03175	0.4
87.00768	0.7
92.96487	0.4
93.03324	6.6
108.01977	0.6
109.02824	1.1
111.04446	0.7
121.02840	4.9
122.03639	13.1
123.04465	0.6
132.02045	0.5
133.02838	2.2
134.03612	1.7
135.04407	2.0
136.01572	1.6
137.02287	0.8
149.02345	18.1
150.03128	91.9
151.03439	3.9
153.05469	0.7
155.10684	1.4
161.02443	1.0
164.04684	3.6
165.05482	100.0
166.05832	4.3
170.16049	0.5
173.04494	1.8
173.21434	0.5
177.01878	0.6
178.02660	0.8
179.03450	1.1
179.07190	0.8
180.02690	0.7
180.04198	7.2
182.28201	0.5
191.05534	8.3
191.07132	0.7
192.05876	2.0
193.05972	0.6
195.06555	62.9
196.06882	3.6
238.06210	0.8
247.06033	0.9
267.06473	0.8
268.07260	2.3
280.07449	0.7
283.09732	2.1
295.06152	0.8
296.06921	1.0
297.07626	0.7
299.09268	0.7
307.05951	0.5
308.06769	1.6
309.07574	1.8
311.09393	0.8
312.06354	2.1
322.08154	0.8
323.09180	2.8
324.06503	0.9
324.09955	2.0
327.08698	5.6
337.10495	0.7
338.11560	0.9
339.08707	8.6
339.12289	1.1
340.08862	0.6
341.98578	0.6
342.11038	4.5
343.10956	0.6
351.99509	0.6
353.08484	0.9
354.11136	3.1
357.13434	19.2
358.13739	2.0
369.13403	20.6
370.13690	2.5
373.15359	0.6
421.11264	1.5
505.18433	0.9
508.12128	0.5
535.19666	1.0
553.21106	0.5
565.21338	1.6
583.20801	0.9
583.28564	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41231	17.0
55.47455	17.1
55.86899	15.7
59.01240	66.8
61.98702	62.2
69.03316	32.0
69.53840	100.0
71.01254	41.6
72.99180	15.1
85.93710	16.8
87.90794	16.2
89.02316	74.5
96.95832	20.5
101.02330	52.8
104.97313	15.2
111.00749	16.9
113.02296	16.9
121.02833	72.1
123.04372	30.7
161.04572	21.6
165.05446	17.7
173.04582	14.7
179.05525	64.2
179.06952	19.8
181.04857	22.1
191.05447	40.8
195.06557	23.5
207.80040	16.2
223.06099	47.6
310.26782	16.2
371.09564	35.9
403.12222	27.0
527.61243	19.6
583.19757	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	582.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47969	0.4
57.03332	0.5
59.01246	3.2
61.98701	100.0
68.99684	0.4
71.01257	2.9
71.50894	0.5
72.01604	0.4
83.01242	0.3
85.02842	1.1
87.00761	0.4
89.02319	2.8
101.02332	1.5
105.68349	0.4
109.73615	0.4
113.02361	0.8
119.03414	0.5
120.98269	0.3
123.08065	0.6
131.03398	0.9
137.02364	1.7
138.02689	0.7
141.44029	0.4
149.04500	0.8
150.04816	0.5
165.05582	0.6
166.02513	0.4
179.07042	0.6
191.05507	2.2
192.05908	0.4
195.06544	0.4
202.67110	0.4
214.97647	0.4
217.53227	0.4
293.04980	0.4
293.84631	0.4
348.39243	0.4
503.00659	0.4
521.25549	1.4
522.25787	4.6
582.20160	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	582.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38352	0.5
59.01241	2.8
60.50312	0.4
61.98699	100.0
71.01264	1.3
71.51121	0.8
76.88348	0.4
82.99586	0.4
87.62511	0.5
89.02326	1.0
95.01248	0.4
95.04922	0.6
96.98497	0.5
99.88392	0.4
101.02332	1.4
119.57069	0.4
121.02860	1.3
165.05455	1.1
167.20384	0.5
173.77112	0.4
179.05574	0.7
191.05602	2.1
193.03775	0.8
208.06175	0.7
216.25000	0.5
260.12830	0.5
371.09906	0.9
377.29477	0.5
403.12485	0.8
510.59344	0.5
522.25232	0.6
534.19690	1.0
582.22516	1.5
583.22833	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3691
Annotation	Unknow
Peak:m/z	Relative Intensity
57.29355	0.9
59.01245	100.0
60.01562	1.5
63.53192	1.1
71.50479	1.6
72.95094	1.2
76.88871	1.1
79.27650	1.1
79.95626	1.1
80.96384	6.3
82.59075	1.0
86.94128	1.0
94.97949	1.3
100.21307	1.2
131.22249	1.1
164.98518	1.3
170.88800	1.3
225.00587	1.6
277.21698	4.2
279.23184	1.3
292.91238	1.0
301.01599	1.0
579.38586	1.1
581.30231	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	581.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60594	0.1
57.58546	0.1
59.01245	0.5
60.95144	0.1
61.98701	100.0
62.98392	0.3
69.79649	0.7
78.95779	1.0
87.25123	0.1
88.98701	0.2
93.03331	0.1
121.02848	0.1
134.04665	0.1
142.60110	0.1
152.99496	0.4
191.05519	0.2
262.87167	0.1
279.23282	1.8
280.23605	0.7
281.24036	0.5
282.24295	0.3
340.30630	0.1
344.53448	0.1
406.55527	0.1
504.30753	0.9
505.31351	0.2
506.31116	0.3
507.31827	1.0
581.31012	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3205
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96859	0.1
59.01250	0.5
61.44415	0.1
61.98701	100.0
62.98414	0.3
69.24767	0.9
78.95771	0.5
98.20576	0.2
152.99545	0.4
170.31212	0.1
191.05466	0.1
241.08376	0.1
249.58540	0.1
279.23291	2.3
280.23660	1.7
281.23947	1.0
282.24179	0.6
324.48929	0.1
405.21301	0.1
504.31018	0.7
505.31442	0.3
506.31619	0.3
507.31976	0.7
581.27289	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00314	0.4
59.01242	1.1
60.65562	0.4
61.67162	0.3
61.98674	0.5
63.96098	1.0
69.03320	0.7
71.01254	6.6
73.02814	1.7
75.52727	0.4
78.98463	6.4
79.95602	8.9
80.96389	64.7
81.03333	0.8
83.64445	0.4
85.02818	2.6
87.00735	2.6
94.97960	15.2
95.01300	0.8
96.95893	0.8
97.02830	1.8
99.00735	0.7
101.02326	2.5
104.42917	0.4
106.97973	3.9
113.02328	0.6
122.97466	6.3
125.02332	3.3
127.03951	0.7
134.97467	4.5
136.99045	1.8
143.82465	0.4
148.99054	6.1
149.62820	0.4
152.98543	8.4
164.98535	12.4
182.99594	2.1
206.99614	3.4
225.00691	17.4
226.00993	0.6
243.01736	1.8
281.24884	3.2
299.04431	3.2
327.86823	0.4
535.05243	0.6
581.29974	100.0
582.30298	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	581.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37771	0.9
55.01759	1.3
57.03315	1.7
58.00465	5.1
59.01249	100.0
60.01563	1.1
61.98713	2.4
67.01757	2.3
68.99686	66.5
69.03325	15.2
70.00043	1.4
71.00297	2.3
71.01253	54.5
71.04887	6.1
72.01556	1.5
72.99186	4.4
83.01237	2.0
83.04910	2.0
85.02827	15.1
87.00748	4.8
89.02314	58.7
93.03329	10.0
95.01263	4.9
95.04901	2.8
97.06468	3.5
99.00755	6.8
101.02322	96.1
102.02655	1.6
106.04102	2.1
107.04916	2.5
109.06498	2.9
111.08035	2.8
113.02332	20.4
119.03387	29.8
119.04842	7.8
121.02814	3.9
121.06483	1.3
123.07999	1.2
127.03867	2.3
129.31297	1.2
130.04210	1.1
131.03389	2.9
134.03592	2.3
134.59860	1.1
135.04436	5.7
135.08080	1.7
137.09622	1.6
143.03407	3.8
143.04996	1.2
147.04416	2.8
149.02353	5.7
149.04472	1.9
149.05978	1.9
153.09132	1.5
158.03625	2.9
161.04477	3.7
163.03883	9.9
165.12898	1.2
167.50458	1.0
172.05106	1.3
173.04446	3.6
173.05894	1.5
175.03979	1.6
175.11180	1.5
177.12752	3.1
179.05548	6.2
181.04982	2.6
183.13860	3.4
185.05975	1.6
189.05499	2.1
191.05530	24.5
191.14291	1.4
192.66658	1.0
193.12344	2.0
193.15816	1.2
195.06549	1.1
203.14529	1.4
209.11842	1.1
209.15369	7.8
211.07413	1.1
211.13301	21.8
211.15112	2.0
212.13617	1.7
217.15919	2.0
219.13876	6.3
225.14906	2.5
227.14389	3.2
229.15901	8.6
233.08220	7.4
237.14931	43.6
238.15219	2.3
238.28903	1.0
243.13997	1.1
245.15422	23.6
246.15691	1.5
247.09740	1.5
247.10597	1.4
247.13382	23.2
248.13713	1.3
251.09314	4.1
251.16541	3.2
255.13797	1.4
261.15048	1.2
271.13446	4.3
273.14935	28.1
274.15390	2.5
275.56827	1.2
289.14517	3.9
289.17905	2.4
292.09454	1.9
295.17093	2.5
297.18628	3.8
299.16516	2.5
307.16940	1.5
313.18204	2.8
317.13959	11.4
317.17487	62.9
318.17725	7.6
318.94986	1.2
323.16525	2.8
325.17975	6.2
339.19595	1.8
341.17535	10.3
342.17838	1.4
343.19113	2.4
349.16553	78.8
350.16907	8.0
351.15985	2.5
357.20764	14.2
358.20984	2.2
359.18573	2.4
369.17038	13.7
387.18045	13.3
388.18420	1.7
401.19675	17.0
402.19931	2.1
419.20755	12.4
420.21375	2.1
479.22873	2.3
511.21606	7.1
549.23682	2.4
563.21539	4.6
581.26117	93.5
582.26398	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	581.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30303	1.3
58.00471	5.2
59.01252	75.8
61.98708	8.2
67.01763	3.5
67.59233	1.5
68.99689	67.1
69.03323	15.7
71.01253	51.8
71.04892	6.0
71.50850	2.3
72.99184	3.6
73.02821	3.5
78.95777	4.7
79.95609	3.5
83.01243	2.2
83.04901	1.9
85.02827	24.6
87.00764	5.1
89.02317	43.2
91.01824	1.4
93.03330	19.6
94.03664	1.6
95.01257	3.8
95.04919	3.0
96.75870	1.6
96.95884	1.7
97.02803	2.8
97.06470	3.4
99.00769	7.3
101.02325	100.0
102.02643	2.1
106.04118	2.4
107.04923	5.0
109.06478	1.7
111.04430	2.9
113.02328	18.8
119.03397	20.2
119.04921	5.5
121.02853	5.5
121.06493	1.8
123.04400	1.5
127.03896	1.9
133.02869	2.6
133.06496	1.8
134.03668	3.3
135.04399	11.1
137.02382	2.0
137.09613	2.0
143.03418	2.6
145.02824	1.9
147.04439	4.8
149.02380	5.7
151.03912	2.5
152.99571	1.9
155.03394	2.2
158.03654	1.9
159.04364	1.6
161.02370	4.2
161.04463	3.2
163.03911	9.8
172.05220	2.4
173.04506	8.8
173.05939	2.8
175.03906	1.7
177.05434	2.0
179.03499	7.0
179.05562	4.6
181.05136	2.1
181.36639	1.7
183.13861	3.4
191.05560	47.1
192.05898	3.5
193.12369	1.8
193.15947	1.8
195.06517	2.6
209.11917	2.7
209.15427	6.6
211.13344	20.0
219.13857	2.5
227.14484	2.8
229.15970	6.5
237.14929	33.2
238.15169	2.0
243.13821	1.9
245.15450	11.8
247.13387	18.7
249.15085	1.6
251.16415	2.7
261.14697	1.6
269.18991	1.6
271.13422	4.0
273.15005	18.7
280.95163	1.4
283.13361	2.4
289.14511	2.5
289.18005	2.6
294.32956	1.5
295.16992	1.7
297.18427	3.8
313.17990	2.1
317.13971	6.4
317.17487	36.7
318.17844	3.7
323.16687	3.4
325.18063	6.8
327.15933	3.0
327.20096	1.9
339.19745	1.7
341.17712	11.3
343.19040	1.8
349.16556	53.6
350.17072	4.1
357.20679	16.4
358.21521	2.5
369.17032	8.1
371.15173	2.2
387.18085	10.8
388.18668	1.9
401.19525	13.0
419.20828	11.0
428.13089	1.7
479.22983	5.0
489.56610	1.8
511.21875	18.6
512.22278	3.0
532.26752	2.4
563.21045	6.8
581.26184	71.4
582.26184	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	581.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62301	0.1
54.85371	0.1
55.42267	0.1
58.09486	0.2
59.01248	100.0
60.01584	1.2
61.98699	1.8
62.45283	0.1
63.43229	0.1
65.17673	0.1
67.01783	0.2
69.03325	0.2
70.73493	0.2
70.73814	0.2
71.01257	1.0
72.99182	0.2
75.00733	0.2
75.68839	0.1
78.95790	0.3
81.06343	0.1
85.02821	0.6
87.00738	0.2
89.02332	0.9
93.03378	0.3
96.95900	0.6
99.55286	0.1
101.02319	0.9
109.02863	0.3
113.02329	0.4
116.92758	0.4
117.01801	0.2
119.03398	0.2
119.04864	0.1
121.02834	1.5
131.03362	0.2
135.04420	0.3
145.02892	0.3
147.04420	0.6
149.02377	0.3
149.04471	0.4
150.03123	0.6
159.04442	0.3
161.04485	0.4
165.05467	1.1
173.04541	0.2
179.10634	0.2
191.05527	2.2
192.05832	0.2
192.07811	0.1
195.06599	0.3
224.04732	0.2
226.06165	0.1
239.10669	0.2
240.04257	0.4
241.08714	0.2
251.07047	0.3
254.05762	0.3
255.10234	1.1
265.08551	0.2
266.05600	0.2
269.08185	7.6
270.08600	0.8
270.12854	0.1
271.09720	0.5
281.08243	1.2
283.09775	2.7
284.10229	0.2
285.03983	0.3
286.04486	0.2
287.04550	0.2
294.08966	0.3
295.09842	0.4
296.10535	0.4
297.07904	0.2
297.11240	0.3
298.12161	0.6
299.09229	5.0
299.12665	0.3
300.09598	0.5
309.11307	0.2
310.11978	0.3
311.09219	8.1
312.09512	0.8
313.10770	0.2
314.11584	11.4
315.12015	1.2
325.10754	1.3
326.11560	6.5
326.15503	0.2
327.12015	0.9
329.13925	41.0
330.14288	4.0
341.13913	24.6
342.14291	2.9
352.34802	0.1
357.51709	0.1
359.11084	0.2
359.15125	0.5
419.13339	0.3
521.25995	0.5
563.20026	0.1
581.13971	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
57.82228	0.9
59.01251	100.0
59.65864	0.9
60.01580	1.2
61.98684	0.9
71.01252	2.9
71.38127	1.8
75.00736	4.4
78.95776	0.9
85.19930	0.9
88.54398	0.9
93.03329	1.1
99.10793	0.9
115.00262	4.0
119.08877	0.9
121.02871	1.4
133.01340	9.9
135.04428	1.0
150.03088	1.3
165.05481	2.2
168.55040	0.9
191.05518	5.8
208.92754	1.0
269.08112	8.7
270.08752	1.2
281.08139	1.5
283.09763	3.1
284.03333	1.5
285.03955	3.1
299.09262	5.4
311.09183	7.4
314.11615	11.4
320.04849	1.3
326.11517	6.3
329.13943	42.3
330.14313	3.6
341.13913	19.9
342.14450	2.3
389.16058	3.5
447.09161	1.4
606.91632	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1088
Annotation	5'-Methoxybilobetin
Peak:m/z	Relative Intensity
54.57291	0.3
58.96360	0.3
59.01247	0.4
61.98712	0.3
63.02279	4.8
65.00197	3.9
69.79745	0.8
69.80160	1.6
78.95759	0.6
79.25389	0.3
83.01236	0.8
89.00191	0.7
97.02862	0.3
98.20508	0.6
107.01275	3.9
133.02832	0.6
138.93147	0.4
148.01591	0.5
151.00270	3.9
169.12212	1.1
169.46454	0.3
182.60329	0.3
191.05565	0.7
195.04396	0.4
209.11800	0.4
211.03963	0.6
227.03471	0.7
241.10794	1.1
255.02966	5.3
256.03699	2.4
268.03769	0.5
269.04544	1.5
281.04562	4.7
282.04919	0.7
283.02469	2.0
284.03244	10.8
285.03986	5.0
286.04340	0.5
297.04044	1.4
298.04892	0.4
383.05508	1.6
401.06485	1.6
421.06244	0.4
425.06683	2.2
426.06769	0.5
427.04614	3.1
428.04977	0.5
429.10165	0.7
430.53271	0.4
447.10876	1.0
448.11179	0.4
449.06448	0.5
451.08566	0.5
463.08426	0.7
467.07663	3.6
468.08054	0.7
491.07788	1.8
495.11118	0.6
498.09393	2.2
513.11853	4.2
514.12415	0.7
535.06683	37.1
536.07086	5.9
537.11505	1.0
549.30603	0.7
566.08417	2.2
581.10846	100.0
582.11200	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	580.3616
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	16.0
61.98703	0.1
69.79501	0.5
71.01228	0.2
71.09522	0.1
78.95773	7.9
78.98459	0.2
79.95570	0.3
80.96384	2.1
94.97943	0.7
96.95876	0.6
96.96808	0.3
99.92467	0.2
115.91938	0.9
116.92760	0.7
122.97503	0.2
122.98338	0.2
125.02390	0.2
125.55552	0.1
148.99062	0.2
152.98471	0.2
152.99498	1.8
164.98555	0.2
168.04224	1.6
171.00548	0.3
176.64572	0.1
179.89159	1.0
180.89897	0.5
196.89395	1.2
224.06953	0.8
225.00627	0.6
226.01006	0.1
235.91817	0.3
236.92633	0.6
238.87273	0.1
242.07909	2.3
243.08250	0.1
281.24829	100.0
282.25189	10.9
310.96130	0.2
342.22903	0.1
398.39655	0.1
473.14090	0.2
506.32458	27.8
507.32779	4.8
580.28668	2.5
581.18219	2.1
581.28577	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3617
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96516	0.3
52.79339	0.3
59.01249	21.9
60.01555	0.3
61.98687	0.5
69.42661	0.3
70.98865	0.8
71.01263	0.3
78.95775	33.8
91.11110	0.3
96.95881	4.9
96.96487	0.3
96.96848	1.1
98.95511	0.5
99.92448	1.5
108.67131	0.3
115.91959	5.3
116.92743	3.8
150.97926	0.6
152.99486	6.9
168.04236	3.3
171.00569	2.2
172.95364	0.9
177.89734	0.4
178.88332	0.7
179.89111	4.8
180.89919	3.9
194.05716	0.4
194.87807	0.4
196.89413	6.5
205.90736	0.9
206.91464	0.5
219.74507	0.3
221.90092	0.6
224.06882	8.0
234.91241	0.3
235.91805	1.3
236.92603	3.5
242.07988	2.1
252.92058	0.5
278.93591	0.4
281.24841	100.0
282.22046	0.4
282.25183	9.3
310.96228	0.9
315.01105	0.4
473.14160	0.8
490.14172	0.9
506.32480	63.2
507.32800	8.8
533.15894	0.7
545.16455	0.7
550.27234	0.3
563.17004	1.3
581.18243	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	580.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	4.1
61.98700	100.0
68.99663	0.3
69.26513	2.8
71.01254	3.4
72.01585	0.6
73.02832	0.7
85.02827	1.0
87.00755	0.4
89.02312	2.7
90.02640	0.4
101.02328	1.8
104.43659	0.3
109.06463	0.3
113.02335	0.5
114.78929	0.3
115.62546	0.3
119.03368	0.3
123.08070	0.5
124.39355	0.3
131.03397	1.1
135.08063	0.8
149.04472	0.9
151.03868	0.4
153.09137	0.5
161.04520	0.3
163.11287	0.3
165.05476	0.6
189.05495	0.3
189.12770	0.4
190.13141	0.3
191.05594	0.9
197.08177	1.1
205.08591	0.5
207.13934	0.5
207.81523	0.3
208.14063	0.5
227.09363	0.3
293.08932	0.3
359.13434	2.4
363.41266	0.3
389.16388	1.3
508.34650	0.3
519.24329	0.8
520.24695	4.1
521.25909	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	579.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36216	0.1
59.01252	0.6
60.01628	0.1
60.49056	0.1
61.98702	100.0
62.98402	0.2
67.46954	0.1
78.95785	1.0
85.46222	0.1
152.99504	0.4
277.21713	2.0
277.24429	0.1
278.22018	1.5
279.22388	1.1
280.22562	0.6
281.24915	0.2
285.04147	0.3
305.65948	0.1
365.27115	0.3
502.29419	0.7
503.29779	0.2
504.30365	0.4
505.30115	0.8
552.90015	0.1
561.28461	0.1
579.14056	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49184	0.1
59.01242	0.4
60.69998	0.1
61.01680	0.1
61.98703	100.0
62.98417	0.2
69.92818	0.3
69.93231	0.2
71.01263	0.2
78.95773	1.3
80.96371	0.8
81.84560	0.1
82.95952	0.5
86.62244	0.1
87.00787	0.2
94.97966	0.2
96.97511	0.1
114.65829	0.1
152.99541	0.6
199.13313	0.3
224.06796	0.1
226.01167	0.1
277.21747	1.3
278.21991	0.7
279.22467	0.2
280.22754	0.2
285.04123	0.4
338.14307	0.1
365.26907	1.2
366.27530	0.1
501.94461	0.1
502.29477	0.9
503.29745	0.2
504.29987	0.1
505.30585	0.5
561.28687	0.3
579.26965	1.9
580.27539	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	2.8
67.22927	0.4
68.99665	0.5
69.03337	0.5
71.01249	4.0
72.99187	0.4
73.02830	0.6
81.03355	0.5
85.02841	1.7
86.96688	0.4
89.02305	2.5
93.03329	0.5
95.01273	1.8
95.04855	0.4
96.85496	0.4
98.79157	0.5
101.02308	2.3
109.02864	2.3
111.00763	0.9
112.44253	0.5
113.02325	0.9
121.02835	1.0
123.00756	3.5
123.04401	1.2
124.01560	0.5
125.02341	1.4
131.03380	0.8
133.40176	0.4
135.04419	0.7
137.02353	11.9
139.00345	0.8
139.03912	1.4
147.04483	0.5
149.02370	1.5
149.04491	1.1
150.03098	0.7
151.00281	24.7
151.03938	2.1
152.01060	2.3
152.04694	3.4
153.01820	0.9
153.05443	0.7
155.03395	1.3
155.04716	0.5
156.64200	0.5
159.04430	0.7
161.04433	0.6
163.03961	0.9
164.04689	0.6
165.01938	0.9
165.05573	0.6
166.02635	67.4
167.03288	5.2
171.27170	0.5
172.17404	0.5
173.02335	0.8
175.03951	2.4
177.01826	3.3
177.05479	1.0
179.03452	0.8
181.04991	74.9
182.05319	3.7
184.03697	0.5
190.02686	0.5
190.06360	0.9
191.03465	1.4
191.05547	4.0
192.04216	1.6
192.05853	0.5
193.04930	1.1
195.02960	1.0
195.06694	0.6
205.05084	0.8
205.08664	0.9
206.05649	0.6
207.06609	1.3
219.06517	0.8
285.04153	0.5
325.06934	0.5
329.10193	0.6
357.10062	0.6
359.11340	1.6
387.10883	17.9
388.11096	1.0
402.13162	6.5
403.13593	1.1
417.15549	100.0
418.15860	12.6
513.32910	0.5
519.24341	2.0
579.17322	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68225	0.5
57.31700	0.4
58.88208	0.5
59.01255	3.8
61.98709	1.1
67.01779	0.6
69.03324	1.5
71.01251	3.4
71.51220	0.8
72.68078	0.5
72.99177	1.0
73.02804	0.7
73.69238	0.4
76.54784	0.4
81.03326	0.6
83.01277	0.6
83.04916	0.6
85.02827	15.3
87.00750	3.7
89.02324	1.8
93.03335	8.4
95.01248	0.5
96.95902	2.3
99.00794	0.5
101.02334	1.5
109.02853	2.0
111.04426	1.4
113.02331	0.8
119.04872	0.9
123.04418	0.7
127.03909	3.4
133.02864	1.0
135.04440	1.9
137.02342	1.0
145.06509	1.0
146.03511	0.5
149.02386	0.7
149.04378	0.6
151.00269	1.1
153.01782	0.6
153.05482	0.4
155.03371	1.1
159.04402	1.0
161.02380	3.0
163.03841	0.7
166.02708	0.7
168.05832	0.6
171.02982	0.6
171.04486	0.5
172.05220	5.3
173.04480	3.1
173.05992	7.8
174.03104	2.0
175.03880	2.1
181.05017	2.1
185.05997	1.2
186.06805	1.3
187.03972	1.6
188.04698	0.8
191.05550	100.0
192.05911	4.8
196.05252	1.9
197.05890	1.1
198.03127	0.6
199.03979	1.7
199.07568	0.8
200.04727	4.6
204.04198	1.9
209.06046	2.1
210.06764	0.7
211.03831	0.5
212.04723	1.7
213.05484	0.7
214.06242	0.7
215.03554	1.2
217.05109	0.7
218.05806	0.5
228.04240	0.9
240.04280	0.9
253.05096	0.8
271.02545	0.7
284.03268	2.2
285.04044	21.9
286.04474	2.0
297.04947	0.5
297.14984	3.1
298.15329	0.7
305.73212	0.5
307.13431	2.9
315.15982	1.3
323.13007	0.6
325.14462	23.9
326.14941	2.7
341.13879	0.5
343.15494	25.2
344.15884	2.5
351.12204	0.5
353.08627	0.8
369.13422	53.1
370.13718	6.0
387.14499	50.6
388.14755	6.0
415.39975	0.6
417.15564	1.0
502.25342	0.6
519.24609	0.8
561.19788	10.2
561.27850	0.9
562.20056	1.2
579.13208	11.4
580.13879	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	579.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97800	0.6
59.01241	1.1
63.02258	1.4
65.00177	1.1
67.84636	0.7
69.03306	0.8
69.50327	1.9
69.50751	3.1
71.01241	2.2
74.38708	0.5
75.00740	0.9
85.02830	5.5
87.00771	0.9
89.02296	0.7
91.06873	0.6
91.74606	0.6
93.03332	1.8
107.01241	1.7
109.02822	2.5
114.26118	0.6
117.03304	1.1
119.04955	1.2
121.02808	0.9
123.00745	2.7
123.04389	1.1
125.02351	1.5
125.09570	1.2
127.03897	0.9
133.02843	1.0
135.04388	0.8
137.01421	0.9
137.02364	11.4
139.00180	1.0
139.03893	0.8
145.02914	0.8
146.03616	1.7
147.04439	0.8
149.02348	2.1
151.00279	21.1
151.03902	1.3
152.00868	1.9
152.04665	2.2
153.05502	0.7
159.04427	1.8
161.02350	5.1
166.02632	61.1
167.03391	4.1
173.02333	2.6
174.03117	4.3
175.03842	1.1
177.01935	3.4
179.03294	1.3
181.04988	69.5
182.05328	3.4
183.04399	0.8
185.11653	0.8
191.03711	1.0
191.05540	27.8
192.04227	1.7
192.05887	1.4
193.04955	1.7
200.58778	0.7
201.52058	0.8
202.02644	1.2
205.08603	1.3
206.02097	0.9
207.06523	1.6
211.04060	0.8
217.04837	0.7
222.37209	0.6
226.05806	0.7
240.04156	1.8
241.04353	0.7
241.87836	0.8
268.03726	8.7
269.04483	35.0
270.04813	31.3
271.05112	23.1
272.05402	1.1
284.03311	0.9
285.04099	4.2
315.16025	0.7
341.13766	0.8
343.15515	2.9
359.11209	2.1
359.15137	1.5
369.13425	2.0
387.10672	11.4
387.14548	19.1
388.10797	1.1
388.14886	2.3
402.13202	7.1
417.15552	100.0
418.15842	13.1
428.00287	0.8
444.81750	0.8
579.16223	46.6
580.16473	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	579.208
Annotation	Unknow
Peak:m/z	Relative Intensity
58.17035	0.4
59.01244	4.1
61.98692	0.8
67.01759	1.2
69.03313	1.3
71.01257	3.6
71.51167	0.6
72.99163	1.1
73.02811	0.8
73.32579	0.5
81.03329	0.8
83.04916	0.8
85.02824	14.7
87.00749	3.8
89.02312	1.2
93.03335	7.5
94.03671	0.6
96.95894	2.2
99.04371	0.6
101.02324	1.5
104.17587	0.4
107.01377	0.4
109.02844	2.0
111.04409	1.6
113.02336	0.6
119.04916	0.9
121.02872	0.8
125.02361	0.5
127.03888	3.5
129.01855	0.5
133.02852	1.1
135.04375	1.8
137.02306	0.6
139.00299	0.4
143.03307	0.5
145.06464	0.9
146.03690	0.4
149.02365	0.6
149.04446	0.6
150.03195	0.5
151.00258	0.9
154.66095	0.5
155.03358	0.9
159.04436	1.4
160.32137	0.4
161.02341	3.7
161.69275	0.4
163.03951	0.9
171.02945	1.3
171.04369	0.6
172.05206	6.7
173.04443	3.7
173.05984	6.6
174.03087	2.4
174.06459	0.5
175.03853	1.6
179.03436	1.1
181.05005	2.1
185.05945	2.1
186.06744	1.2
187.03938	1.8
188.04654	0.9
189.05527	1.1
191.05542	100.0
192.05881	5.0
196.05249	2.0
196.06862	0.5
197.05971	1.2
198.03220	0.5
198.06645	0.6
199.03917	1.6
199.07600	0.5
200.04721	4.7
201.05106	0.5
202.02519	0.6
203.03398	0.7
204.04205	1.9
204.61494	0.5
209.06010	1.5
212.04729	1.3
213.05466	0.6
214.06264	1.0
215.03506	1.0
217.05005	0.8
223.07445	0.6
227.07027	0.6
228.04224	0.5
240.04308	0.9
241.04895	0.5
254.05661	0.6
281.15173	0.4
284.03360	2.7
285.04050	18.2
285.07214	1.0
286.04410	1.5
297.14987	3.9
299.16409	0.5
307.13477	2.5
315.16043	1.2
325.14450	21.7
326.14816	2.6
341.13947	0.6
343.15463	21.3
344.15854	2.5
351.12469	0.7
353.08780	0.7
369.13409	50.8
370.13678	5.9
387.14493	46.8
388.14929	5.7
417.15555	0.8
447.09131	0.6
519.24860	0.6
561.19745	9.2
562.20105	1.7
579.13306	8.4
580.14233	1.4
601.19983	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75605	1.1
55.01763	2.2
57.03321	5.4
58.00451	2.5
59.01251	55.4
61.98688	4.1
67.01756	9.7
68.99693	6.9
69.03323	9.9
71.01253	65.2
71.04903	1.3
71.51438	1.6
72.01582	2.0
72.99184	9.1
73.02819	9.6
74.02325	1.2
75.00751	2.7
81.03328	4.0
83.01273	6.0
83.04874	1.3
85.02349	2.2
85.02827	22.8
87.00741	7.4
89.02316	59.1
93.03328	4.5
95.01265	29.9
95.04886	2.7
96.95854	2.0
96.96873	1.2
97.02831	9.4
99.00777	5.9
99.04384	1.5
101.02324	43.3
101.99960	1.0
102.02626	1.2
109.02816	2.1
111.00784	10.7
111.01514	1.6
111.04394	2.7
112.98692	2.6
113.02325	13.5
115.03922	1.8
116.92744	2.3
119.03377	6.2
119.04887	1.1
121.02823	5.8
122.25605	1.1
123.00777	1.1
123.04404	9.7
124.04774	1.8
125.02341	6.4
127.02962	1.3
127.03900	22.5
129.01834	11.0
131.03392	20.2
134.03665	1.0
135.04428	1.4
137.02322	1.9
137.09628	1.7
138.06729	8.9
141.01814	3.7
143.03484	2.7
149.02438	7.9
149.04456	26.2
150.03133	7.4
151.03908	2.4
153.09128	21.1
155.03407	100.0
156.03729	3.9
159.02908	3.0
161.04449	3.8
163.03925	2.6
164.04697	1.6
165.05515	7.7
166.02646	2.9
173.04445	6.8
175.03804	1.5
175.06050	19.5
179.03380	1.9
179.05557	1.4
179.07007	1.2
181.04979	9.7
181.06413	1.6
191.01912	1.4
191.05540	28.0
192.05998	1.0
193.05023	1.6
195.06563	4.2
197.04471	1.2
205.04771	1.4
207.13901	3.6
225.07646	1.5
225.14915	23.4
226.15234	2.1
233.06609	2.4
235.08217	2.9
285.04074	2.1
289.09338	1.8
289.56689	1.1
293.08850	4.3
311.09845	1.2
315.07220	4.9
315.10718	1.5
329.08792	1.2
333.08350	2.5
337.09622	1.2
347.09821	24.0
348.10266	1.1
385.11346	4.1
387.20212	6.3
399.09464	2.5
417.15552	4.9
461.14609	3.6
519.24445	98.0
520.24664	12.5
531.20477	2.7
534.67365	1.1
579.19293	81.9
580.20129	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	579.135
Annotation	Kaempferol 3-apiosyl-(1->2)-glucoside
Peak:m/z	Relative Intensity
59.01246	0.3
63.02268	0.7
65.00192	0.4
66.22054	0.2
66.88000	0.3
69.50092	1.6
73.82388	0.2
83.01256	0.7
107.01289	1.7
109.02822	0.7
121.02814	0.4
131.04977	0.3
132.02042	0.3
133.02831	3.3
134.03284	0.2
135.04445	0.2
149.02324	1.1
151.00272	2.9
154.66595	0.3
175.03902	1.5
185.06017	0.4
199.03999	1.8
201.01768	0.7
210.03430	0.2
212.04677	0.3
213.05444	0.5
215.03404	0.4
217.04878	0.9
227.03563	0.6
239.03520	0.4
241.05084	0.4
242.02190	0.3
243.02986	0.3
255.03014	0.5
256.03632	1.1
257.04388	0.5
267.02710	0.4
284.00024	0.4
284.03250	13.8
285.04022	100.0
286.04382	9.3
327.05093	0.3
405.26642	0.3
412.80942	0.2
447.09998	0.3
579.13513	22.9
580.13928	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	578.3462
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65859	0.3
59.01249	23.9
62.90782	0.3
65.45865	0.3
70.07970	0.7
70.08368	0.6
71.01266	0.4
78.95773	21.8
80.96381	1.0
86.66126	0.3
91.47086	0.3
95.49993	0.3
122.98357	0.7
152.99500	2.6
168.04218	3.5
224.06874	8.3
242.07961	2.7
261.22198	0.6
279.23270	100.0
280.23630	10.6
460.92981	0.3
463.75534	0.3
504.30945	66.2
505.31281	11.6
505.38843	0.3
578.27155	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35452	0.4
50.45314	0.3
59.00953	0.6
59.01249	10.3
61.98703	4.6
69.21413	2.2
69.21841	2.0
71.01250	6.0
72.99173	3.0
73.02804	1.4
75.00743	100.0
76.01089	1.0
83.01261	0.6
85.02816	2.8
87.00745	1.8
89.02314	9.7
93.03343	1.4
98.20596	0.8
99.00752	0.6
101.02313	5.3
102.69922	0.4
113.02327	1.9
119.03381	1.0
125.02320	0.9
131.03380	3.8
131.96075	0.5
135.04433	1.3
137.02267	0.4
149.02452	0.4
149.04457	9.9
150.03128	1.1
151.00327	0.4
157.14429	0.4
161.02382	0.4
161.04437	0.6
165.05466	0.6
173.04558	1.1
177.05443	0.4
179.03392	0.9
179.05569	0.6
191.05527	9.6
192.05899	0.8
195.06528	0.8
205.12225	0.8
255.02898	0.8
269.04666	0.5
283.02463	1.1
285.04013	0.5
310.99979	0.4
311.09729	0.5
329.13889	0.9
353.08801	1.1
415.11514	0.5
441.19202	0.5
489.23856	0.5
517.22778	1.0
539.34387	0.6
577.32477	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50557	1.6
57.03316	4.9
58.00464	5.2
59.01251	83.1
61.98703	4.0
64.36044	2.1
67.01748	3.2
68.99694	6.1
69.03313	10.6
71.01253	66.8
71.51096	2.7
72.99184	7.0
73.02811	13.8
75.00742	12.7
78.95777	4.0
79.07639	2.0
79.95636	3.0
80.96367	1.7
83.01260	3.0
85.02826	20.5
87.00761	8.3
89.02318	100.0
90.02671	2.0
91.02111	17.0
93.03348	11.3
95.01245	4.4
96.95892	6.5
97.02846	5.4
99.00758	12.8
99.04526	2.1
101.02321	44.9
111.00758	8.9
113.02331	17.4
113.03480	2.5
115.00261	2.6
119.03378	8.0
121.02840	5.6
121.06470	2.8
123.04385	5.3
125.02335	7.3
127.03893	5.3
131.03374	20.7
133.04965	3.0
135.04424	2.3
143.03465	2.9
149.04454	53.1
149.05670	3.7
152.99504	2.2
153.05476	8.2
155.03406	7.0
159.04520	1.9
161.04532	4.3
163.11195	9.5
165.01929	1.9
173.04550	4.2
175.11208	6.9
179.03729	16.9
179.05408	3.7
191.05542	58.2
192.05923	3.3
202.02657	4.3
205.12289	21.8
206.12596	1.9
209.11681	1.8
217.04999	7.7
221.06589	3.7
251.07742	1.7
255.02937	4.2
265.77579	1.8
269.04645	2.5
281.08560	2.8
293.08755	14.2
322.04788	2.1
337.07123	4.5
339.05023	3.1
353.06860	2.2
353.10880	7.9
369.09488	3.1
404.19385	2.2
415.13788	2.8
428.05469	1.9
457.13681	10.0
482.84012	1.7
491.83801	1.7
517.22766	6.1
562.16510	1.9
577.18933	13.6
578.18518	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	577.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65671	0.6
53.84904	0.6
57.03336	1.6
59.01254	2.6
60.99180	4.2
61.98689	1.3
65.03831	0.7
67.01760	13.6
69.03341	4.1
69.51181	2.0
69.51601	2.8
71.01254	6.3
78.95773	15.6
80.96402	1.3
81.03342	2.5
83.04904	2.4
85.02824	5.0
86.79379	0.6
87.00747	18.1
93.03335	89.5
94.03686	3.1
96.96843	4.8
98.19860	1.6
99.00760	2.1
99.04423	1.4
105.41542	0.7
108.02047	3.3
109.02840	1.9
111.00774	1.5
111.04395	10.9
112.35362	0.6
113.02317	0.9
115.03892	1.0
121.02874	2.0
122.03613	1.1
124.01538	6.7
125.02332	4.3
127.03908	1.9
129.01820	2.4
132.02065	1.3
133.02872	3.9
134.03647	14.0
134.04636	2.1
135.04414	100.0
136.04678	4.2
137.02397	3.5
140.82790	0.7
149.02339	0.9
150.03139	3.7
151.03914	15.7
151.05072	1.3
152.04240	1.1
152.99478	1.3
155.03407	2.7
160.01593	1.6
161.02310	4.1
162.02989	0.7
173.04469	49.8
174.04803	1.1
175.03864	0.8
177.01830	1.5
178.02638	2.0
179.03423	24.4
180.04076	3.0
181.04909	0.9
191.05539	48.7
192.04283	1.6
192.05930	3.0
193.83876	0.6
194.02197	1.1
199.13344	1.0
215.05524	1.4
268.03769	1.0
269.04486	5.9
290.07883	2.2
307.08212	5.7
308.08994	24.3
309.09283	2.1
346.05569	8.6
351.07129	4.1
352.08011	13.9
366.09589	1.2
385.16583	7.7
386.16687	1.5
403.17905	0.8
577.16168	0.9
577.22888	23.3
578.23224	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	577.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21310	0.3
58.00460	0.3
59.01250	5.1
67.01765	1.2
68.99685	1.7
69.03324	7.4
71.01254	3.0
71.38159	0.6
72.99181	6.7
81.03314	0.4
85.02813	2.8
87.00751	1.5
88.98631	0.3
89.02318	3.3
93.03334	8.0
94.03696	0.3
95.01314	0.4
101.02324	5.1
111.04391	1.3
113.02324	1.0
119.03416	1.2
119.04913	9.7
121.02838	1.1
127.03899	0.4
135.04460	0.4
137.02359	0.5
143.03358	0.4
147.04419	42.4
148.04698	1.6
151.03986	0.4
153.05479	6.9
155.03374	0.6
165.05481	100.0
166.05803	4.8
173.04466	3.3
173.05984	1.0
179.03447	0.8
179.05452	0.9
187.07545	0.6
191.05536	30.0
191.06912	1.3
192.05844	1.2
205.08696	0.5
215.07092	0.5
223.09656	0.6
233.06540	0.6
249.07855	0.4
255.03094	0.4
269.04446	0.7
284.03134	0.6
285.04065	0.4
292.59091	0.4
304.52228	0.4
314.00076	0.4
327.16125	0.7
345.09793	1.8
353.13748	0.6
383.11475	0.6
385.12616	0.7
385.16931	0.8
404.17163	0.4
429.13956	11.4
430.14395	1.0
435.29575	0.3
523.24182	0.3
545.20056	1.3
577.18951	9.7
578.19647	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	0.6
59.01244	7.8
61.98703	2.9
67.01754	1.6
68.99686	0.7
69.03320	1.4
71.01250	6.1
72.99165	0.8
73.02829	1.1
75.00773	0.7
78.95821	0.7
81.03316	1.2
83.01282	0.7
83.04901	0.7
85.02817	12.5
85.03294	0.8
87.00744	4.7
88.98684	1.3
89.02294	3.2
93.03332	11.9
96.95879	0.5
99.00739	0.5
101.02317	3.1
109.02830	1.8
111.04403	2.2
113.02331	1.6
119.03380	0.7
120.99523	0.5
121.02791	0.6
123.04382	0.7
125.02354	0.6
127.03902	2.6
131.03407	1.0
132.02098	0.5
133.02818	0.8
135.04402	1.3
135.19888	0.5
137.02338	0.7
137.14142	0.4
143.04858	0.6
146.03638	0.7
146.10403	0.4
149.04393	0.9
155.03389	1.5
158.03615	3.7
159.04425	4.8
160.01558	3.4
161.02359	2.5
161.05927	0.6
163.03894	1.1
171.03004	0.8
171.04463	1.7
173.04482	6.5
174.03134	1.5
174.04701	0.5
176.63029	0.5
179.03499	0.6
185.02335	1.2
186.03137	4.3
187.03918	7.1
187.07561	0.7
188.04445	0.5
189.05589	0.7
191.05536	100.0
192.05875	4.1
197.04257	0.5
197.05937	0.7
198.03284	0.6
200.01074	1.4
200.04709	0.7
211.03999	1.2
212.04747	1.5
213.05356	0.6
214.02664	3.8
215.03320	0.8
215.07072	1.0
225.05478	0.6
226.06386	1.0
227.03430	1.3
228.04228	1.7
237.09334	0.5
255.02950	1.4
256.03757	1.1
268.03775	2.0
269.04514	6.7
269.11801	0.7
283.02780	0.7
283.06100	0.8
283.13400	0.9
284.03271	1.1
285.04108	1.2
297.15079	1.2
313.14401	3.4
323.12860	2.4
327.16071	1.5
334.42010	0.6
339.12320	0.9
341.13956	6.2
344.60477	0.6
353.13901	0.6
357.08875	0.7
357.13391	13.0
358.13861	1.2
359.14816	1.0
366.14459	0.7
367.11859	1.3
383.14948	1.4
385.12891	74.1
386.13278	8.2
473.12927	0.7
545.20459	1.0
577.17798	3.5
577.28235	5.2
578.19757	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	0.6
58.00456	0.4
59.01250	19.4
61.98692	1.1
67.01752	1.5
68.99684	1.0
69.03333	1.1
70.37457	0.6
70.37808	1.1
71.00852	0.5
71.01250	9.4
72.99181	0.6
73.02828	0.6
75.80386	0.3
81.03342	0.9
83.04881	1.0
85.02823	11.6
87.00748	4.3
89.02320	7.5
93.03336	8.8
94.03676	0.5
95.01273	1.8
96.77953	0.4
98.99870	0.3
99.00733	0.5
99.04401	0.5
101.02320	4.3
102.47640	0.4
105.69668	0.3
109.02816	1.0
111.04379	2.0
113.02337	2.3
119.03400	2.9
123.04405	2.4
125.02380	0.5
127.03922	2.3
131.03362	0.4
135.04408	0.7
137.02206	0.6
143.03410	0.8
146.03647	0.4
149.04454	0.6
155.03415	3.3
158.03708	0.8
159.04315	0.5
160.01584	1.2
161.02289	0.7
161.04460	0.8
161.05876	0.4
163.03917	0.5
171.02928	0.8
172.05243	0.5
173.02219	0.4
173.04483	4.2
174.03123	0.9
175.03946	0.4
179.03452	0.5
179.05518	3.2
186.03114	0.9
187.03937	1.4
187.07526	0.6
191.05540	100.0
192.05893	4.1
200.04651	0.5
201.05368	0.4
201.09297	0.4
211.07561	0.5
214.02582	0.5
214.06319	0.5
215.07094	0.5
225.05597	0.6
225.07582	0.8
226.06244	0.4
228.04359	0.5
229.08704	0.4
255.02950	0.4
257.08029	0.3
263.06470	0.4
269.04544	1.6
297.15009	0.7
310.60883	0.4
323.12866	1.8
327.16031	1.0
341.13925	3.2
353.13901	1.2
357.13516	2.8
359.15042	0.8
364.31323	0.4
371.14890	0.5
385.12869	25.6
386.13144	3.0
519.24896	0.4
545.19873	2.0
577.19421	2.8
577.30829	0.4
578.20862	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.156
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29741	0.1
59.01254	0.6
61.98697	0.2
63.01952	0.1
63.02260	1.5
63.02575	0.1
64.50027	0.1
64.99874	0.1
65.00175	0.7
71.01250	0.4
71.50670	0.1
71.51053	0.1
72.99192	0.2
73.02812	0.1
75.00744	4.1
75.46922	0.1
83.01261	0.2
85.02795	0.1
85.56139	0.1
87.00777	0.1
89.00231	0.1
89.02312	0.8
92.22441	0.1
93.03323	0.4
97.65340	0.1
99.00787	0.2
101.02332	0.3
105.03336	0.2
107.01258	1.4
117.03342	3.1
118.03730	0.1
121.02843	0.2
131.03397	0.2
135.04425	0.3
138.91600	0.1
148.01515	0.1
149.02350	0.9
149.04378	0.4
151.00270	0.9
155.04956	0.2
157.06468	0.1
158.03653	0.1
159.04437	1.3
161.02338	0.9
165.05507	0.1
169.06470	0.5
171.04405	0.2
173.04515	0.1
180.05688	0.1
181.06487	0.4
182.03653	0.1
183.04453	0.8
191.05493	0.6
195.04460	0.1
196.05199	0.4
197.05997	0.7
199.03947	0.2
200.04741	0.1
201.05568	0.5
203.03404	0.1
208.01286	0.1
211.03935	0.2
212.04529	0.1
213.05388	0.1
224.04744	0.3
225.05516	1.2
226.05809	0.1
227.03479	0.5
239.03459	0.3
240.04362	0.4
241.04945	0.2
253.05080	0.1
267.02994	0.1
268.03766	3.2
269.04535	100.0
270.04871	8.4
270.07935	0.1
283.06219	0.1
291.06674	0.1
311.05606	0.3
314.11838	0.1
329.13882	0.2
341.13666	0.1
577.15546	3.3
578.16064	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72709	0.2
53.55247	0.2
57.22448	0.1
59.01243	0.6
63.02265	1.4
65.00204	0.7
69.62194	0.4
69.62612	0.8
75.40260	0.2
77.37113	0.1
83.01277	0.4
83.28703	0.2
86.50262	0.2
93.03358	0.3
102.34229	0.2
105.03397	0.2
107.01285	1.7
117.03336	3.1
119.03332	0.2
149.02333	0.8
151.00270	1.2
155.49875	0.2
157.06490	0.2
159.04454	1.2
161.02325	1.2
167.04819	0.2
169.06473	0.4
171.04434	0.5
172.05199	0.2
173.04370	0.3
180.05640	0.2
181.06410	0.3
183.04408	0.6
186.22736	0.2
191.05557	0.5
195.04337	0.3
196.05269	0.5
197.06036	0.7
199.03976	0.2
200.04651	0.2
201.05437	0.5
211.03976	0.5
212.04599	0.3
213.05429	0.3
224.04741	0.3
224.92168	0.2
225.05602	1.0
227.03494	0.4
239.03418	1.0
240.04205	1.5
241.04625	0.3
267.02948	0.3
268.03757	24.3
269.04529	100.0
270.04880	7.8
293.35165	0.2
311.05548	0.5
410.04306	0.2
413.08847	1.0
431.09824	0.3
457.11386	0.2
577.15564	64.5
578.15918	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	577.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28113	0.9
57.36348	0.9
58.00455	0.7
59.01251	37.5
61.11777	0.8
61.98693	3.9
67.01765	5.9
68.99688	23.5
69.03329	13.6
70.03638	0.8
71.01253	24.6
71.51926	1.5
72.99171	4.8
73.02818	2.5
75.00743	8.9
81.03316	1.1
83.01266	1.5
83.02330	0.9
85.02814	7.1
87.00746	3.1
89.02313	22.5
93.03336	32.1
94.03674	0.9
95.01278	2.0
95.04900	1.0
96.95899	1.9
97.46991	0.9
99.00757	2.7
101.02323	41.8
101.03785	1.3
102.02660	1.1
106.41499	1.0
109.02822	1.0
111.00757	2.2
113.02327	8.6
117.03334	1.3
117.07002	6.0
119.03391	8.9
119.04900	2.9
121.02850	18.6
121.06478	1.4
123.04382	1.8
125.02369	1.1
127.03909	11.1
131.03349	3.2
135.04413	1.7
141.06999	10.4
143.04958	1.2
145.02809	3.1
145.06488	7.3
147.04407	1.7
149.02354	10.7
149.04428	3.4
149.05870	1.3
153.05443	2.4
155.03369	1.6
159.04451	1.9
160.05180	4.8
161.02336	2.8
161.04459	1.8
161.05978	3.1
163.03877	1.6
165.05501	1.1
165.06938	1.6
167.04924	6.9
169.06500	100.0
170.06831	5.9
171.04436	1.5
173.04448	1.0
173.05931	1.6
175.03891	1.6
175.07533	3.1
177.05418	1.7
179.05501	2.2
181.04938	2.5
182.07333	1.1
183.08035	1.0
185.05959	1.0
187.07550	13.5
188.04774	0.9
188.07912	1.1
189.01808	4.4
189.05499	11.4
191.03781	1.3
191.05536	23.6
192.05902	1.4
193.04973	1.2
195.04443	1.0
195.08099	1.4
197.06010	28.4
197.09645	5.7
198.06342	2.5
200.04503	0.9
206.07275	1.3
213.05505	20.6
214.06029	1.6
215.06978	1.8
217.01376	6.5
219.08176	1.4
221.09659	2.3
225.05513	2.6
229.08656	14.6
231.06514	2.0
241.05003	37.4
241.08632	22.3
242.05334	2.2
242.09143	1.3
249.09067	1.8
255.02979	5.0
255.06607	2.8
257.08264	1.3
259.06128	7.6
267.10220	2.2
269.04568	3.9
269.08167	6.8
273.07672	82.7
274.08020	6.3
283.02441	3.5
283.10916	2.0
284.03333	1.1
285.03986	2.4
293.08157	4.4
301.07141	15.8
302.07663	1.5
311.09250	3.9
315.08621	1.1
325.10779	10.7
325.86066	1.1
326.11179	1.2
327.09879	1.1
343.11798	2.7
345.06039	1.6
353.10159	2.6
397.09296	1.4
401.51657	1.0
415.17999	1.6
435.12781	1.5
461.16299	1.2
463.12326	1.0
473.14465	1.2
505.17184	28.2
506.17499	4.4
517.22888	1.4
533.16608	11.1
534.17438	1.7
545.14087	2.8
549.16284	2.5
577.15576	41.1
577.24426	2.2
578.15991	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	576.3305
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32113	0.3
53.56242	0.3
59.01251	32.8
60.01569	0.5
61.63168	0.3
65.00181	0.5
68.94842	0.3
68.99210	0.3
69.03326	0.3
70.07211	1.5
71.01257	2.7
73.02802	0.4
78.95776	28.4
79.95620	0.5
80.96387	4.3
83.01245	0.5
83.04905	0.4
83.19264	0.3
85.02822	0.5
87.00781	0.5
89.02340	1.5
92.85313	0.3
94.97961	1.1
96.93444	0.3
96.96846	0.5
101.02316	1.2
107.01246	0.9
113.02339	0.5
122.97578	0.3
122.98407	0.4
125.02323	1.3
148.99075	0.5
151.00345	1.7
152.98492	0.5
152.99504	3.5
161.02365	0.3
164.98495	0.5
168.04208	4.2
181.32698	0.3
186.54034	0.3
194.05820	0.5
224.04681	0.6
224.06882	11.2
225.00658	1.2
227.03372	0.4
233.22635	0.7
242.07942	2.5
247.07832	0.8
259.20557	0.7
275.20071	0.8
277.21713	100.0
278.22055	9.8
308.03604	0.4
309.04001	1.0
433.12772	1.0
446.15030	0.5
477.15668	1.0
495.16617	0.9
502.29407	62.8
503.29703	8.6
577.26837	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	576.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34879	0.2
59.01235	0.4
60.60543	0.3
61.98701	100.0
68.58079	0.2
69.82275	0.2
70.31024	0.6
70.31387	1.0
71.01243	0.6
80.96379	0.5
86.00060	0.3
87.15784	0.2
108.63342	0.3
124.81055	0.3
125.02338	0.3
151.00282	0.5
241.09804	0.3
247.07994	1.6
247.58105	0.3
251.02765	0.3
265.14514	0.3
277.21661	2.8
278.22192	1.0
279.22311	0.5
365.12759	0.5
477.15753	0.7
494.60803	0.3
495.17126	0.4
577.27142	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20198	0.8
53.24965	0.8
59.01249	17.0
71.01244	3.3
71.30960	0.8
71.31297	1.4
78.04102	1.0
78.95770	3.6
80.01333	0.9
81.58180	1.0
85.02819	1.3
87.00747	0.9
89.02325	2.2
90.62141	0.8
93.03335	1.0
101.02309	3.1
108.92719	0.9
113.02310	2.1
119.03410	0.9
130.63336	0.9
152.99474	1.8
161.04483	1.5
191.05464	5.4
197.49324	0.8
235.08176	1.5
253.09276	12.7
279.23285	100.0
280.23593	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	575.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	15.2
60.66232	1.4
71.01242	4.2
71.51357	1.9
76.73824	1.4
78.95792	6.9
80.06349	1.4
80.96387	1.4
85.02805	4.5
87.00745	1.6
89.02317	2.3
93.03307	1.9
99.25134	1.4
101.02299	3.3
108.02019	8.4
109.02811	3.1
152.01015	5.8
152.99496	3.0
153.39479	1.4
164.61400	1.5
191.05557	15.4
192.05887	3.5
209.11920	1.6
235.08142	1.7
253.09267	10.9
279.23270	100.0
280.23682	10.6
320.89948	1.8
346.75290	1.5
497.44977	1.6
575.28430	5.6
576.29565	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	576.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	0.8
59.72471	0.2
61.98701	100.0
67.16870	0.2
70.11096	1.1
71.01251	0.9
72.10122	0.2
78.98466	0.7
79.95612	1.0
80.96396	7.5
80.96864	0.5
94.97954	1.5
98.20571	0.3
122.97507	0.4
134.97437	0.6
148.99065	0.4
152.98523	0.6
164.98566	1.3
193.42542	0.3
194.75298	0.3
206.99545	0.3
220.14067	0.3
225.00760	1.0
277.21689	0.7
278.22168	1.1
279.22357	0.5
280.22675	0.6
299.04517	0.3
303.35571	0.3
315.75049	0.3
348.66504	0.3
425.05765	0.3
498.11569	0.3
577.26904	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	575.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42658	0.9
55.01762	0.9
58.52254	0.8
59.01254	8.1
69.03319	2.8
71.01251	7.4
71.50378	1.2
72.99167	2.2
73.02815	21.8
83.01251	2.0
85.02807	5.9
87.00771	1.1
87.04404	7.5
89.02309	3.3
93.03329	3.9
95.01294	1.8
95.04898	2.0
96.95894	1.1
97.02838	2.8
97.06451	4.2
99.00744	1.2
101.02314	7.6
107.01281	2.1
109.02810	2.4
113.02316	3.7
115.03899	3.3
119.03384	3.3
121.02824	4.3
121.06527	0.9
122.03616	7.2
123.04401	3.1
125.02331	5.7
125.05977	38.7
126.06289	2.0
127.03908	0.9
128.36203	0.8
133.02855	1.9
137.09634	1.2
139.07567	3.0
143.07036	28.1
149.02338	7.3
150.03131	63.6
151.00278	6.9
151.03827	4.1
153.01839	1.5
153.05531	1.9
155.03404	2.4
155.10687	14.8
159.04425	1.2
161.02483	1.4
161.05949	1.6
163.06047	1.9
165.05482	100.0
166.05824	6.3
167.03371	4.1
169.12276	1.1
173.02367	3.8
175.00241	0.9
175.03865	1.3
181.08702	2.4
185.08139	1.9
185.43356	0.9
189.05522	1.9
191.05495	4.6
195.06537	2.7
199.09709	1.6
210.24765	0.8
213.07610	5.7
215.03423	3.4
217.10765	6.1
241.10788	3.3
258.95062	1.0
259.11856	1.2
284.03189	1.4
285.04050	2.5
295.06061	1.4
301.12741	1.2
323.05682	5.0
329.13989	2.7
341.06625	8.0
343.13950	2.4
351.04984	2.1
361.15021	5.3
419.72275	0.9
429.14026	1.1
447.08899	1.0
473.12656	1.2
490.17178	1.1
491.19214	18.5
492.19608	2.6
503.11942	3.0
513.10303	1.2
531.11243	1.8
539.21222	12.5
540.21594	2.8
575.09894	1.9
575.23438	46.2
576.23950	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	575.1901
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	2.0
57.03326	1.9
59.01251	32.4
61.98679	3.3
69.03320	6.9
69.77193	4.0
69.77612	6.9
71.01249	26.7
72.99183	4.8
73.00970	1.7
73.02802	4.8
75.00755	2.2
78.95755	2.9
83.01261	4.8
83.04883	2.5
85.02821	19.6
87.00736	7.9
89.01914	1.9
89.02322	19.8
90.54478	2.2
90.73669	1.8
93.03328	12.6
95.01232	2.9
97.02821	2.5
99.00746	3.2
100.03929	2.3
101.02318	18.7
105.88056	2.0
108.02030	2.1
109.02859	4.3
111.04356	2.8
113.02289	9.9
119.03360	6.3
121.02815	5.6
122.03603	4.5
123.04439	2.9
125.02326	2.7
131.03444	1.9
133.02855	5.5
135.04431	5.0
137.02354	4.2
143.03409	3.5
145.02780	2.0
149.02328	15.2
150.01971	3.4
150.03133	53.9
151.03680	2.8
155.03441	4.2
161.02351	2.1
161.04482	2.9
164.04683	5.9
165.05489	66.4
166.06018	6.1
173.04459	5.3
179.03313	3.2
179.05510	7.2
180.04221	4.6
181.04915	3.1
181.08641	6.0
191.05539	81.9
192.05858	3.2
195.04832	2.5
195.06552	35.9
196.06857	4.8
203.03494	2.0
229.01344	2.6
255.02916	4.0
271.05609	1.8
283.02328	2.8
284.03217	5.4
285.04056	7.9
314.11560	2.7
329.13785	9.8
343.13962	15.3
446.08569	2.5
447.09079	6.0
491.19244	100.0
492.19458	15.2
539.21320	49.8
540.21368	7.7
575.21130	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	575.1903
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94279	4.8
59.01254	37.0
59.91410	5.9
63.13379	4.3
67.40784	4.7
68.99675	6.0
71.01264	28.4
72.99196	6.0
73.02821	5.3
77.20252	4.8
80.56001	4.4
85.02840	17.5
87.00753	7.9
89.02317	36.8
93.03358	10.3
101.02333	16.8
113.02348	8.7
119.03401	10.4
125.02390	7.1
149.02339	10.1
150.03166	41.1
161.02435	6.3
165.05481	57.8
166.06013	6.2
169.94260	4.8
173.04410	7.2
179.05527	12.2
191.05544	93.9
192.05911	8.1
195.06563	31.8
231.34927	4.4
285.04047	10.7
286.40219	5.4
305.04364	5.8
323.05698	5.4
329.14157	11.8
343.13705	15.7
344.11572	5.0
447.09460	9.4
491.19287	100.0
492.19440	12.8
539.21515	43.7
540.21417	8.4
575.21558	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	575.1403
Annotation	Maysin
Peak:m/z	Relative Intensity
57.03349	0.3
58.20037	0.2
59.01250	2.3
61.98701	2.0
63.02324	0.8
65.00250	0.9
65.03890	0.4
67.01825	0.3
68.99726	0.4
69.03380	0.7
71.01257	2.2
72.99242	0.2
73.00507	0.2
73.02866	0.5
73.53958	0.2
78.95830	0.3
79.70331	0.2
83.01309	0.8
83.02377	2.0
83.04958	0.7
84.09372	0.2
85.02824	1.1
85.06461	1.4
87.00805	0.6
89.02307	1.9
93.03329	2.2
95.01315	0.3
96.95953	0.7
99.00802	0.3
101.02325	1.9
105.03408	0.5
107.01248	1.8
108.02115	0.3
109.02190	0.3
109.02821	1.2
111.00826	0.3
111.04459	0.2
113.02383	0.8
119.03403	0.4
120.99605	0.5
121.02856	2.6
121.06470	1.2
123.04469	0.3
125.02339	1.2
125.06099	0.2
127.03866	0.3
127.04961	0.2
131.03412	0.4
131.07034	6.9
133.02844	4.5
135.04410	0.6
137.02412	0.3
139.07620	0.2
143.03445	0.4
145.04990	0.3
145.08653	0.5
147.04492	0.2
149.02359	1.9
149.04460	0.7
151.00267	5.5
151.01331	0.4
153.05496	3.5
155.10725	0.8
159.04451	0.4
161.02362	0.3
163.82985	0.2
165.05515	0.2
169.01347	0.3
169.05055	0.4
171.04459	0.3
173.04532	0.8
173.06027	0.5
174.06706	0.2
175.00475	0.2
175.03903	2.0
176.04239	0.3
177.01945	0.4
179.05586	0.3
185.06042	0.4
189.05542	0.7
191.05522	4.4
191.07103	0.4
197.04471	0.2
197.06068	0.4
198.03204	0.3
199.03908	2.1
199.05667	0.3
200.04607	0.3
201.01913	0.5
211.04015	0.3
213.05534	0.5
213.07510	0.3
215.03668	0.5
217.04997	1.1
223.04021	0.2
225.05376	0.3
227.03467	0.3
229.05051	0.3
229.08713	0.5
240.04218	0.4
241.05101	0.8
242.02211	0.4
243.02930	0.5
255.06616	0.8
256.03784	0.4
257.04486	0.5
267.02994	0.5
268.03708	0.6
269.04498	2.2
284.03241	4.4
285.04025	100.0
286.04364	7.8
293.08713	0.3
296.03128	0.3
297.03979	0.4
308.03177	0.4
311.05405	0.4
321.99030	0.2
325.07242	1.7
327.04813	0.2
337.07095	0.7
337.94064	0.3
379.84137	0.3
381.09769	2.2
413.12427	8.1
414.12668	0.9
429.14029	0.4
431.09537	0.7
447.09097	1.2
447.14743	0.4
461.10895	0.2
461.16635	3.0
515.28583	0.4
543.14783	1.3
557.12665	0.2
557.21429	0.3
575.13806	42.0
576.14050	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	574.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34790	0.1
59.01250	0.4
61.98705	100.0
62.98396	0.2
68.99700	0.3
70.84113	0.1
75.35899	0.1
78.95364	0.1
78.95770	0.5
79.63610	0.1
80.94654	0.1
85.02858	0.2
87.00773	0.1
90.65469	0.1
93.03362	0.5
101.02319	0.4
101.51646	0.1
105.32858	0.1
121.02838	0.2
133.02925	0.1
135.04410	0.1
148.05237	0.5
152.99509	0.5
161.02365	0.2
163.07591	0.4
163.63437	0.1
173.04494	0.6
176.62898	0.1
191.05580	1.0
209.11786	0.3
211.13303	0.2
319.08127	0.1
505.17325	0.6
549.04901	0.1
574.19592	0.1
575.26501	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	1.1
59.01254	2.9
67.93263	0.5
69.03327	1.4
69.15755	6.2
71.01250	2.5
73.02823	23.1
74.03152	0.7
78.25495	0.6
79.05380	0.6
84.72517	0.5
85.02821	2.2
87.00742	1.0
87.04398	2.9
89.02328	0.9
93.03317	2.9
95.04911	2.2
97.02837	2.8
97.06473	12.4
101.02308	1.1
108.02062	0.8
109.06497	1.0
111.04407	2.1
113.02316	1.3
121.02831	1.6
121.06504	4.0
122.03624	6.0
123.04423	8.6
125.02380	0.7
128.07083	0.9
133.02820	0.9
133.10121	0.6
135.04460	0.9
136.01559	0.9
139.07526	2.2
141.04428	1.1
141.05482	11.9
149.02383	3.8
150.03136	49.6
151.03877	3.7
151.07559	0.7
153.05458	1.0
153.09071	3.2
155.97580	0.6
162.30414	0.6
165.05489	100.0
166.05824	5.0
171.10172	0.7
173.04539	0.9
174.07642	2.1
175.07964	0.9
180.04268	0.8
183.06560	2.5
191.05544	6.2
197.08131	0.9
199.06065	1.3
213.07607	5.3
215.09210	4.9
242.50934	0.5
257.10403	1.1
299.11340	1.3
327.12515	0.8
347.81479	0.7
359.13464	6.0
360.13843	0.9
508.36258	0.8
537.19830	1.2
573.21869	40.7
574.22229	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	573.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25753	1.0
54.54147	0.8
59.01241	2.1
65.84962	1.0
67.25804	0.8
69.03307	1.7
71.01228	1.4
85.02797	1.2
89.02281	0.9
93.03342	6.0
95.04865	1.3
96.72416	0.8
98.20664	1.5
101.02295	1.7
121.02846	16.7
122.03636	12.4
123.04412	2.9
133.02826	3.2
134.03687	1.2
135.04463	2.3
136.01550	2.0
137.02347	1.6
147.04402	1.7
149.02350	64.2
150.03134	98.2
151.03467	4.3
162.02969	1.2
164.04713	13.4
165.05487	100.0
166.02628	4.0
166.06258	40.4
167.06953	3.9
173.04405	2.4
175.03893	3.0
180.04193	7.6
181.05035	6.7
181.08621	22.9
182.08897	1.0
184.04146	0.9
191.05565	6.7
195.06552	66.2
196.06903	4.0
229.07092	1.1
267.06497	1.2
269.08209	1.7
270.08801	2.0
280.41074	1.0
285.07608	3.0
298.08432	1.6
299.09195	1.0
313.10739	2.5
314.11646	8.4
315.11890	1.1
328.09534	1.1
329.10336	2.8
329.13913	32.1
330.14240	3.5
343.11829	34.1
344.12057	2.3
377.16211	2.2
391.13858	2.4
410.78482	1.1
442.70901	1.0
496.22876	0.9
525.21283	24.8
526.21649	4.0
573.21857	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	573.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69840	0.4
52.82188	0.4
53.71183	0.4
56.69208	0.4
57.03328	0.9
59.01257	2.5
61.98694	0.8
63.78427	0.4
67.01756	0.5
68.71072	0.4
68.99686	1.0
69.03319	1.4
69.18325	3.6
69.18738	1.0
71.01247	2.1
72.99180	0.8
73.02817	34.9
74.03166	0.6
75.00734	0.4
79.05403	0.7
83.04914	0.8
85.02830	1.5
86.98960	0.4
87.00732	0.6
87.04368	3.2
89.02323	1.4
93.03324	2.5
95.04893	2.3
96.95923	0.5
97.02844	2.2
97.06463	17.9
98.06831	0.7
98.19836	0.8
101.02335	3.0
107.04919	0.6
108.02054	1.0
109.06493	0.7
110.03654	0.4
111.04405	2.1
113.02319	1.1
115.03896	1.1
119.03394	0.7
119.04954	0.6
121.02812	2.3
121.06469	3.6
122.03627	6.5
123.04408	11.5
123.05301	0.7
125.02324	0.8
125.06010	0.6
127.03931	0.6
133.02847	0.9
133.10081	0.5
136.01578	1.1
137.02341	0.8
138.05489	0.4
139.03864	0.5
139.07536	1.5
141.05467	15.0
141.33098	0.4
149.02307	2.6
149.05978	0.5
150.03127	54.8
151.03905	4.2
151.07552	0.4
153.01825	0.6
153.05495	1.5
153.09103	4.0
164.04730	0.5
165.05478	100.0
166.02655	1.4
166.05847	4.4
171.10249	0.8
173.04456	0.6
175.06131	0.6
177.09142	0.6
181.04974	2.1
183.06546	1.8
185.08086	0.5
189.05403	0.5
191.05525	2.0
195.06531	0.8
197.08134	1.0
213.07623	6.1
214.08052	0.5
215.09186	9.2
216.09586	0.4
239.09222	0.7
257.10294	1.2
268.29318	0.4
285.09775	1.0
289.10480	0.4
299.11346	1.2
327.12500	0.5
339.03052	0.5
359.13434	6.5
360.13773	0.5
411.16724	1.5
457.13275	1.3
573.21863	36.9
574.22589	5.3
592.16132	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01742	1.3
57.03307	2.7
59.01252	5.8
60.99153	0.7
61.98702	22.5
67.01746	1.1
68.99690	1.2
69.03324	59.2
70.03658	1.4
71.01249	9.4
72.99169	3.5
73.02821	19.3
79.05405	1.8
81.03329	3.1
83.01270	0.8
83.04896	1.2
85.02830	4.5
87.00756	4.7
87.04403	0.7
88.35445	0.6
89.02310	4.7
93.03316	4.9
95.04896	30.4
96.05248	1.2
97.02827	0.9
97.06466	25.1
98.06792	1.0
98.19780	1.5
99.00739	0.8
99.04387	7.8
99.05418	0.7
101.02329	5.9
107.04912	11.7
108.02070	1.2
109.02830	0.8
109.06470	3.1
110.03588	1.0
111.04428	3.3
113.02333	28.3
114.02647	0.8
119.03410	1.4
121.02811	2.7
121.06459	3.9
122.03566	1.1
123.04408	28.2
124.04742	1.5
125.05974	3.9
127.03926	0.8
133.02834	1.5
133.06512	1.4
134.03572	0.9
135.04419	5.9
136.04779	1.5
137.02316	1.1
139.07491	1.5
141.05473	15.9
146.03630	1.1
147.04063	0.8
149.02339	5.4
150.03146	5.8
151.03780	1.3
151.07576	7.1
153.05469	1.0
153.09111	4.0
155.03421	0.8
161.02383	1.3
161.04576	0.7
164.04675	2.0
165.05489	8.3
166.02606	1.2
166.06250	3.8
167.06017	0.7
169.08647	12.4
171.10164	0.9
173.04454	2.7
176.03427	1.5
177.01912	0.8
178.05017	0.8
179.03416	2.5
179.07039	2.5
180.03940	0.7
181.04977	1.5
181.08623	1.2
183.06512	1.4
191.05562	13.4
192.02951	1.2
192.05930	1.8
195.06625	3.8
196.06929	1.2
197.08118	1.8
211.05881	0.7
213.07623	32.2
214.07962	1.4
215.09164	5.3
218.00952	0.6
218.04616	0.6
220.02411	0.8
228.90894	0.7
229.62807	0.8
236.05560	1.3
237.05881	0.8
257.10269	2.5
258.10727	0.6
317.12326	1.0
329.13824	1.7
343.11661	3.4
345.22623	0.6
353.08740	2.6
354.09332	1.1
357.11899	7.2
359.13394	1.4
375.12970	15.5
376.13480	0.9
377.14703	2.0
378.08325	0.9
410.36774	0.6
411.10950	1.3
459.18344	1.0
499.18170	9.9
500.18500	1.5
511.21637	2.1
525.21240	3.8
529.22614	2.4
555.20642	1.0
573.21838	100.0
574.13733	0.6
574.22119	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	573.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	1.7
59.01257	7.9
61.98697	1.4
65.76951	1.1
66.67413	1.3
67.01748	1.4
69.03326	61.3
71.01240	5.9
71.31354	1.7
73.02814	22.9
79.05417	1.6
81.03324	1.6
85.02821	2.1
87.00747	4.1
88.19409	1.1
89.02318	4.3
93.03326	8.0
95.04333	1.6
95.04906	26.5
97.05890	1.6
97.06468	21.5
99.04388	5.8
101.02316	3.4
107.04911	13.5
109.06464	3.8
111.04406	1.8
113.02330	23.2
114.02657	1.4
119.03357	2.5
121.02803	8.8
121.06456	2.0
122.03630	13.9
123.04409	22.4
125.05958	5.6
128.77679	1.4
133.02820	2.2
133.06438	2.5
135.04424	1.2
136.01512	1.8
141.05470	14.2
149.02341	27.8
150.03131	87.8
151.03479	3.6
151.07582	7.7
153.05496	1.4
153.09102	6.4
164.04663	5.3
165.05484	100.0
166.06267	15.5
167.07001	2.7
167.10780	1.3
169.08614	13.6
171.10147	1.5
175.03896	1.7
180.04189	5.6
181.04871	1.8
181.08607	8.9
191.05505	4.1
195.06558	69.8
196.06911	2.3
213.07611	20.2
215.09175	7.6
231.38950	1.4
257.10233	3.5
268.03632	1.8
269.04605	3.3
329.13980	7.1
343.11707	8.3
357.11789	3.6
375.12766	8.0
377.14484	1.4
459.19061	1.6
499.17975	4.5
511.21683	1.4
525.21350	7.3
526.21991	2.0
529.22803	6.3
573.21881	87.1
574.22217	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	573.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
57.26019	0.8
58.00451	1.1
59.01251	38.2
67.01771	5.8
68.99682	2.9
69.03338	4.3
69.17156	8.7
71.01257	25.1
72.00782	8.3
72.99179	2.5
74.02351	1.8
80.64894	0.8
85.02819	5.4
87.00776	0.9
89.02324	21.3
92.04927	6.9
93.03353	0.9
94.02859	2.1
95.01290	1.9
95.04901	1.3
98.20595	1.9
100.03927	12.9
101.02327	13.5
113.02316	5.2
116.04949	23.8
119.03386	8.4
119.04884	1.0
120.66531	0.8
121.02853	2.7
122.02380	7.6
123.04412	1.0
124.03893	1.3
127.03900	7.4
130.06529	1.4
135.04434	1.8
142.06525	29.0
144.08069	1.0
147.04425	2.8
148.03951	7.6
149.02423	1.1
156.06808	3.6
156.08105	6.3
158.09671	1.1
160.03949	2.0
161.04640	1.4
162.05508	1.3
166.06548	2.1
167.06070	15.6
168.06743	1.6
168.08089	7.7
169.07622	26.0
170.08028	1.3
173.04442	1.1
174.05559	2.2
179.05589	1.3
179.07123	1.6
180.06834	1.0
181.07603	3.0
181.08871	1.3
183.09183	6.5
185.10764	19.9
186.10956	0.9
191.05585	5.1
193.07654	1.6
195.09296	1.1
206.04596	2.2
211.08769	1.1
213.06590	2.1
229.09773	25.1
230.10071	1.9
235.08925	0.9
247.08638	1.5
262.77051	0.9
265.09842	6.8
265.12332	0.8
271.12354	2.1
274.08716	1.1
279.11453	2.4
289.13559	1.5
299.11926	2.0
309.08841	3.5
317.12939	23.8
318.13351	3.4
331.14505	10.4
332.15009	1.3
349.15540	3.9
361.11923	30.5
362.12213	3.3
375.13388	4.1
393.14572	100.0
394.09869	1.5
394.14871	14.5
500.51450	0.9
541.18738	1.2
572.50635	1.0
573.20746	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	572.271
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06236	0.2
59.01255	0.7
61.98701	100.0
71.01276	0.2
71.50816	0.3
71.51209	0.3
78.95786	0.9
93.03366	0.3
99.00758	0.2
133.16661	0.2
152.99512	0.5
161.02420	0.2
164.01764	0.2
173.04527	0.5
182.00276	0.2
191.05553	1.2
211.13400	0.5
485.09195	0.2
573.26080	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09872	1.7
58.00438	2.9
59.00956	3.2
59.01249	52.4
67.01762	15.7
68.99686	15.5
69.03318	19.0
69.17823	18.0
71.01252	31.7
72.99166	2.9
73.02809	6.3
83.01218	2.5
85.02816	6.7
89.02316	27.1
92.04924	14.0
93.03340	2.5
94.02864	12.3
95.04923	4.1
97.06468	4.5
101.01701	2.9
101.02322	32.0
113.02330	8.2
116.04897	9.2
117.05441	4.2
119.03398	8.0
121.02846	4.5
122.02370	63.6
123.02705	2.9
124.03938	10.3
127.03891	33.2
141.05424	4.4
142.06461	13.4
144.04456	3.3
147.04431	2.7
150.03113	5.1
151.03642	3.1
156.08052	5.7
161.08099	2.2
165.05470	6.9
167.06018	10.0
169.07628	87.2
170.07869	4.9
174.05475	2.1
180.06586	5.3
181.07590	3.4
183.09218	12.6
185.10750	13.4
189.12773	1.8
191.05507	3.9
194.06004	1.9
195.06508	2.5
209.07039	2.6
213.06619	10.2
215.09200	5.2
217.02162	1.8
219.09186	1.9
219.13870	2.1
224.94992	2.0
230.50180	1.8
235.08682	4.1
237.10202	4.0
247.08803	6.3
247.12332	4.1
248.09450	3.8
249.10223	7.5
263.11887	2.9
265.09796	21.1
271.12369	3.2
273.13687	2.2
274.08667	2.1
275.11899	5.1
279.11349	12.7
287.11807	2.7
289.10202	2.2
289.13440	7.3
299.11868	6.3
309.08835	9.4
317.12955	78.6
318.13339	9.3
331.14529	14.6
346.13672	2.7
347.13992	3.0
349.15555	100.0
350.15839	11.2
351.13583	2.6
361.11938	6.4
393.14554	33.2
394.14746	4.4
429.13898	2.3
473.12833	1.9
479.67679	1.8
541.18182	6.2
573.20984	31.1
574.21155	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	572.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
57.26028	1.5
58.00467	4.4
59.01247	97.1
61.98701	6.2
63.02245	2.7
64.57116	1.6
65.63019	1.5
67.01780	1.8
68.99687	11.5
69.03309	7.8
70.84725	3.7
71.01253	64.1
72.99171	4.9
73.02830	3.8
78.95782	1.6
80.78515	1.6
81.03346	2.6
83.01267	3.3
85.02821	12.6
87.00764	4.2
89.02315	100.0
93.03342	7.3
95.01262	12.0
96.95895	1.9
98.19828	1.8
98.76937	1.4
101.02316	55.0
109.02837	1.9
113.02319	29.0
119.03381	36.7
119.04836	1.6
121.02831	4.2
123.04414	16.7
124.07607	3.9
125.02363	3.2
127.03896	5.1
131.03400	3.8
133.02843	6.2
135.04395	2.5
137.02376	2.8
143.03398	6.7
147.04306	1.9
149.02315	4.3
149.04457	4.9
150.03137	1.9
150.09137	2.0
151.00278	5.5
155.03401	25.4
155.10635	2.3
161.02289	2.2
161.04500	8.6
163.03848	2.1
165.05426	2.6
173.04446	7.1
175.03911	5.3
176.10686	2.1
179.03372	3.1
179.03754	3.2
179.05531	47.4
180.05771	2.1
181.04945	2.4
191.05539	17.2
192.05836	2.8
199.03888	1.9
204.10268	4.3
219.13850	2.2
224.87245	1.8
225.07591	9.1
248.09152	5.0
284.03281	12.2
285.04034	95.1
311.09119	2.3
387.12766	2.9
399.20068	1.9
411.10678	2.9
436.62393	1.9
447.09262	6.4
480.18604	5.1
521.22974	1.8
529.13666	9.0
572.30829	6.2
573.12152	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	571.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79510	0.5
54.78796	0.4
59.01245	1.0
61.98704	0.5
69.63162	3.3
71.01253	0.7
79.16577	0.5
85.02821	0.6
93.03325	3.3
121.02844	4.0
122.03629	10.3
123.04414	0.8
127.03864	0.4
133.02879	1.9
134.03708	0.6
135.04401	0.9
136.01555	1.2
137.02341	1.3
149.01205	0.4
149.02336	14.6
150.03127	85.5
151.03433	4.3
160.01593	1.2
161.02203	0.5
164.04691	3.6
165.05478	100.0
166.05811	5.0
167.07069	1.1
179.03484	0.6
180.04204	6.1
181.04872	1.2
181.08530	0.5
191.05553	6.1
195.06552	63.9
196.06917	3.6
208.07324	0.8
209.08054	1.0
212.04727	2.0
221.08052	0.6
227.03381	0.9
228.04214	1.5
231.10242	0.5
253.04817	0.5
256.01260	0.5
256.03680	2.8
259.09662	0.7
267.06677	1.1
269.08136	1.3
271.06061	0.4
271.09778	1.2
283.09595	0.7
287.09351	0.9
297.07663	2.2
297.97739	0.5
298.08087	0.5
299.09314	0.9
310.08456	1.1
311.09259	5.4
312.09882	2.1
315.08701	4.1
316.09348	0.7
325.10657	1.5
326.11484	2.2
327.08664	5.3
327.12231	1.2
328.09091	0.7
330.11081	11.0
331.11386	1.6
340.09155	0.5
342.10999	1.9
343.11490	0.5
344.12619	0.6
345.13412	43.1
346.13745	5.2
349.20441	0.8
357.13412	16.6
358.13733	2.1
375.14505	7.5
376.14856	0.8
493.18646	1.3
497.71640	0.6
523.20142	2.5
571.21857	3.6
572.21765	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62119	0.5
52.07909	0.5
55.02249	0.4
59.01229	0.6
59.33405	0.4
60.95044	0.4
69.18198	5.4
71.01249	0.6
73.02835	0.6
73.38202	0.4
85.02829	0.6
89.02364	0.4
92.51981	0.5
93.03345	3.4
95.01237	0.6
95.04972	0.5
105.03358	0.7
107.04909	0.4
108.02071	0.9
109.02914	0.6
112.45345	0.5
121.02837	5.6
122.03633	13.5
123.04433	0.9
124.01512	0.7
132.02051	0.7
133.02855	2.9
134.03650	1.6
135.04422	3.6
136.01579	1.7
137.02339	1.9
138.03070	0.5
147.04449	0.6
149.02354	25.2
149.05978	0.8
150.03137	100.0
151.03610	5.2
155.10728	1.5
160.01567	1.0
161.02350	1.0
161.05972	0.6
163.03824	0.7
164.04726	7.4
165.05493	99.8
166.05858	6.0
167.07181	1.1
173.04576	0.6
177.01797	0.6
179.03481	0.8
179.07076	5.3
180.04228	7.3
180.07869	3.4
181.04990	2.5
191.05530	3.5
194.05782	0.6
195.06567	55.8
196.06935	3.0
199.09648	1.3
208.07339	1.9
209.08099	1.8
212.04726	2.9
226.06429	0.7
227.03482	1.2
227.09297	0.9
228.04236	2.6
231.10251	1.0
243.10435	0.6
254.09241	0.5
256.03738	5.7
267.06659	1.7
268.07486	0.6
269.08057	2.8
270.08618	0.6
271.07101	0.5
271.09708	2.9
281.08069	0.6
282.08716	0.6
283.09396	2.4
285.07629	1.2
286.08530	0.8
287.09192	1.6
295.09680	0.5
297.07751	3.6
298.08331	0.6
299.09216	2.3
299.12772	1.2
309.07495	0.6
310.08441	1.5
311.09280	8.4
312.09918	2.8
314.07938	1.3
314.11441	0.9
315.08774	5.7
316.09323	1.5
325.10913	1.5
326.11560	4.5
327.08734	8.2
327.12408	6.4
328.09387	1.2
328.12967	0.8
329.10217	1.4
329.14041	2.9
330.11093	16.1
331.11374	2.4
341.10373	1.2
342.11063	2.8
343.11938	1.9
344.12521	2.0
345.13425	68.9
346.13766	7.9
356.13223	0.6
357.13437	22.5
358.13681	2.2
375.14539	6.1
376.14890	1.0
391.60147	0.5
434.13770	0.8
447.14655	1.6
449.16010	1.3
493.18756	14.1
494.19067	2.0
505.19305	0.6
523.19745	47.0
524.20117	7.2
541.20886	0.8
571.21844	9.0
572.22198	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	571.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	1.4
59.00994	1.5
59.01253	20.0
59.08250	1.2
61.50076	1.1
62.95898	1.1
63.10966	1.2
71.50795	2.2
72.15628	1.0
77.37751	1.1
78.95763	3.8
80.02540	1.5
82.14970	1.1
83.04920	2.1
85.49477	1.2
93.03339	1.4
95.04908	2.4
97.02810	2.3
97.06474	1.7
109.06490	1.6
119.08599	1.1
121.06466	2.8
123.04405	3.2
123.08028	2.3
125.09634	6.9
131.04915	2.4
135.08031	5.1
137.09613	2.9
141.05446	4.1
141.09103	2.1
141.12666	1.2
148.08844	3.2
149.05962	4.1
151.11179	1.7
152.99471	2.5
153.09129	14.6
161.09631	1.3
163.11218	10.4
165.12766	19.1
165.14116	2.1
167.85313	1.3
171.10179	18.1
176.25865	1.2
177.12843	2.3
178.52086	1.3
181.12216	1.6
185.11749	8.6
189.12695	1.8
191.05502	2.3
191.14330	16.1
197.11783	2.7
207.10213	3.7
209.11806	6.7
219.17471	6.8
225.11226	3.2
233.17442	1.3
245.15334	3.4
245.19066	21.0
246.19469	1.7
263.16507	48.1
264.16901	3.3
271.16986	2.2
289.18097	83.1
290.18399	7.8
307.19150	100.0
308.19522	7.4
325.20193	31.7
326.20389	2.7
381.24265	1.4
454.55685	1.4
535.33978	2.8
553.35242	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	570.3494
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	0.1
59.01252	0.8
61.98702	100.0
62.98410	0.2
67.01743	0.2
68.99714	0.2
70.21090	0.1
71.01265	0.6
71.51357	0.2
73.02829	0.2
78.95793	0.4
80.12351	0.1
84.00820	0.2
85.02825	0.8
87.00779	0.3
89.02326	0.4
91.02588	0.1
92.03409	0.1
93.03352	1.0
95.01288	0.2
97.02888	0.1
101.02322	0.6
109.02898	0.1
111.04385	0.2
123.04405	0.2
127.03931	0.2
131.03429	0.1
133.02893	0.5
135.04445	0.5
137.02364	0.2
137.04898	0.1
150.03093	0.2
152.99493	0.2
155.03406	0.7
155.10695	0.2
156.11110	0.1
157.08679	0.1
161.02333	0.8
163.04041	0.1
165.05528	0.2
173.04460	0.8
179.03403	0.4
180.03949	0.1
183.10077	0.1
187.04079	0.1
191.05530	4.1
192.05934	0.3
206.74113	0.1
210.09094	0.1
227.03372	0.2
293.05249	0.1
320.14279	0.1
353.09012	0.2
355.40326	0.1
510.36563	0.2
570.28363	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3491
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	0.1
59.01243	1.3
61.98701	100.0
62.98391	0.2
67.01750	0.2
68.99640	0.1
69.03336	0.3
69.29299	1.1
71.01244	1.0
72.16946	0.2
73.02829	0.4
78.95776	0.5
83.04903	0.2
85.02823	0.8
87.00749	0.3
87.04388	6.0
88.04732	1.1
89.02298	0.8
93.03358	0.8
98.19833	0.3
101.02342	0.8
109.02838	0.3
111.00787	0.2
111.04355	0.2
133.02873	0.4
135.04416	0.5
137.02374	0.2
143.07066	0.2
146.17401	0.1
149.04509	0.2
152.99501	0.4
154.96263	0.1
155.10678	0.2
161.02390	0.6
171.10143	0.3
173.04468	0.6
177.01822	0.2
179.03453	0.2
181.08586	0.2
191.05528	4.3
191.07140	0.3
192.05899	0.5
195.70509	0.2
209.11766	0.2
217.06726	0.2
217.10818	0.2
225.15038	0.3
234.18140	0.2
241.62633	0.1
267.90240	0.2
283.13538	0.2
343.24890	0.4
421.20886	0.2
422.21069	0.7
510.26276	1.8
511.26904	0.2
526.04565	0.2
570.28918	0.5
571.29144	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64915	0.3
57.03318	0.8
59.01252	2.1
61.98692	1.0
71.01248	0.4
71.21465	0.6
78.95771	11.4
83.04902	0.3
85.02827	0.6
85.45776	0.3
87.00734	0.5
93.03328	0.5
97.06495	0.4
99.08040	0.5
103.41608	0.4
113.09604	2.0
135.04414	0.4
137.49850	0.3
152.99489	2.5
166.20299	0.3
168.04213	2.2
171.10172	0.9
173.04474	0.5
176.95726	0.3
177.12778	0.4
179.03381	0.4
179.14291	1.3
181.12259	0.9
183.21548	0.3
191.05579	3.2
195.13838	21.0
196.14111	1.2
209.11757	1.1
224.06859	1.2
242.07994	4.1
268.64359	0.4
277.21707	18.5
278.22067	1.4
286.25485	0.4
295.22766	100.0
296.19800	0.5
296.23099	10.0
369.75049	0.4
459.08450	0.3
520.30402	68.9
521.30780	11.2
570.10028	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2965
Annotation	LRRK2-IN-1
Peak:m/z	Relative Intensity
58.00476	1.3
58.48685	0.5
59.01248	6.3
61.98705	6.0
67.01743	0.6
68.99697	0.6
69.03320	1.2
69.24756	5.4
71.01246	4.6
73.02814	4.8
75.00733	0.6
83.01259	0.8
85.02832	2.6
87.00757	1.4
87.04396	6.6
89.02332	1.6
92.02413	0.7
93.03333	2.6
95.01276	1.2
95.04917	0.9
97.02831	1.5
97.06448	0.7
99.00706	0.6
101.02319	5.2
109.02845	3.1
111.04409	0.9
113.02335	1.2
115.92025	0.5
121.02839	0.6
123.00777	0.6
123.04413	1.7
124.01523	1.2
125.02366	0.7
133.02919	1.1
134.03552	0.6
135.04384	1.4
135.08060	2.3
137.02362	1.2
137.09613	16.5
138.09920	0.6
139.11203	1.4
149.02356	1.6
150.03094	0.8
151.03896	2.0
153.01881	0.5
153.69402	0.5
155.03430	2.5
155.10683	90.8
156.11044	4.6
161.02422	0.8
161.04475	0.7
162.03137	1.1
163.03925	2.0
165.01877	0.6
165.05417	0.8
169.12233	4.3
173.04407	2.0
179.03413	3.6
179.07019	0.6
181.04990	0.6
181.08633	4.1
191.05550	8.2
191.07204	1.0
192.05984	0.7
199.09697	44.7
200.10049	2.6
213.11282	3.6
217.85034	0.5
241.10777	17.1
242.11148	1.2
271.11880	0.8
284.03442	1.1
290.84235	0.5
301.12997	4.9
361.15076	1.7
551.29108	0.6
558.92834	0.5
562.83118	0.5
569.29633	100.0
570.21942	0.7
570.29987	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	569.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01741	0.9
57.03331	2.1
59.01247	23.1
61.98701	36.0
62.31981	0.9
67.01744	0.9
68.99696	1.5
69.03335	2.3
71.01250	23.0
72.99177	1.6
73.02818	5.7
73.15539	0.7
78.95784	3.4
83.01256	3.0
84.02044	2.3
85.02817	9.5
87.00751	3.2
87.04389	100.0
88.04719	2.0
89.02320	14.7
93.03355	5.9
95.01273	1.7
97.02836	2.4
99.00758	2.7
100.60994	0.8
101.02319	15.6
102.02704	0.8
111.00741	2.9
113.02318	4.7
119.03365	1.0
121.02858	1.2
123.04421	2.0
124.26231	0.8
125.02325	3.3
131.03395	7.0
133.02858	1.0
135.04391	2.7
137.02368	2.0
143.03439	1.4
149.04428	4.4
152.99467	2.4
153.05476	5.3
155.03354	2.5
155.10695	3.2
157.08549	1.2
161.02400	0.9
161.04474	1.5
165.05455	1.2
171.10152	6.0
173.04472	2.6
179.03441	0.9
191.05544	14.8
199.09639	1.6
207.10228	0.8
211.13356	1.0
215.14360	0.9
233.06544	1.5
241.10750	1.0
262.91153	0.9
285.04288	0.9
289.16635	1.3
307.61102	0.8
337.16507	1.4
341.23492	4.4
341.26923	1.0
343.24936	1.8
344.25171	3.3
375.18323	1.1
377.21729	3.4
421.20856	9.5
439.22183	1.5
509.25970	46.9
510.26160	6.0
569.26331	8.5
569.69543	1.0
570.26385	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	2.3
57.03319	1.5
58.00462	1.1
59.01247	16.7
61.26389	0.6
67.01769	0.6
68.26151	0.6
69.03306	1.1
71.01247	17.8
72.99181	1.4
73.02809	6.3
75.00755	0.9
83.01253	5.0
85.02818	11.0
85.03301	1.0
85.99968	1.4
87.00745	3.1
89.02319	4.3
93.03318	4.2
95.01270	2.4
97.02841	1.0
99.00748	3.3
101.02320	17.0
108.02097	0.9
111.00761	1.6
113.02319	7.3
119.03378	1.5
121.02822	4.3
122.03634	9.6
122.23675	0.7
123.04406	2.6
125.02326	0.9
132.02066	0.9
133.02834	4.6
134.03624	4.3
136.01526	1.8
137.02338	1.2
145.02840	0.7
147.04416	1.6
149.02339	29.6
149.05933	4.0
150.03120	81.3
151.03516	4.0
153.05417	0.8
159.04398	1.3
161.04436	1.3
162.03172	0.8
163.03920	1.1
164.04686	8.2
165.05472	95.4
166.05817	5.4
173.04440	1.3
177.05505	1.3
179.03368	0.8
180.04199	7.6
181.04929	3.3
191.05522	14.3
193.08672	1.7
195.06551	44.7
196.07237	7.3
197.08043	0.6
211.09706	10.4
238.56091	0.6
241.38487	0.5
246.24825	0.6
254.41933	0.6
327.08603	0.9
344.12677	4.7
345.13303	1.0
358.12576	1.4
359.10562	1.2
359.14996	14.3
360.15137	1.2
373.14984	28.8
374.15265	2.2
382.49127	0.6
387.16522	1.0
457.11435	1.2
473.57849	0.6
521.20233	100.0
522.20618	15.3
569.22357	13.9
569.36053	0.7
570.22833	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	569.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06042	0.9
55.01752	1.2
56.40099	0.8
57.03318	1.3
59.01245	16.5
61.98696	5.0
67.01763	1.5
68.66773	1.0
69.57645	4.1
69.58052	2.2
71.01251	15.7
72.73458	1.1
72.99171	2.2
73.02814	4.3
83.01252	3.9
85.02825	7.5
85.99934	1.0
87.00751	2.9
89.02324	7.4
91.45592	0.9
93.03315	1.8
95.01279	1.3
97.02834	1.1
98.20535	1.8
99.00786	2.2
101.02325	14.2
109.02808	1.1
111.00761	1.5
113.01620	0.8
113.02290	4.6
119.01309	1.5
119.03372	3.1
125.02318	1.0
136.01595	1.4
136.03993	1.3
137.02356	5.6
138.01822	1.3
147.00763	6.3
148.01527	4.4
149.02316	1.9
150.03090	1.0
151.03938	2.3
152.03398	1.3
153.05501	1.1
158.97482	0.9
161.04457	1.4
162.03137	1.8
163.03937	8.4
164.00990	1.6
164.98323	1.1
165.00514	2.1
165.01842	35.7
165.05478	1.5
166.02196	2.2
166.06270	5.7
171.10173	3.0
177.01807	1.0
179.03398	14.8
179.05486	2.2
179.06966	1.6
180.04195	21.3
181.04637	1.4
181.08638	7.7
182.04460	1.2
191.05569	5.3
194.05757	4.1
195.02853	1.6
195.06549	25.8
195.08327	1.6
196.06873	1.5
209.11723	3.8
210.05229	3.9
211.12296	0.9
225.07646	13.1
227.12808	3.9
282.26816	1.1
301.10730	1.2
327.65970	1.0
329.10315	2.9
341.10956	6.1
343.13947	14.0
344.12552	5.3
359.14975	8.1
397.13678	1.2
491.15741	1.5
521.20251	100.0
522.20569	16.2
569.22272	15.3
570.22437	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	569.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
58.46741	0.9
59.01234	3.9
61.98438	0.8
61.98698	7.1
64.70856	0.9
67.01750	1.6
68.99686	15.1
69.03340	7.4
71.01238	3.8
73.02808	1.7
78.95763	2.8
79.01746	4.5
79.95599	1.1
81.03326	1.2
85.02812	2.5
87.00762	2.1
87.04390	2.5
89.02303	2.1
93.03340	5.2
95.01266	24.2
95.04919	1.2
97.02833	4.4
99.00720	1.0
101.02326	28.5
104.13582	0.9
108.02079	1.2
111.00790	1.0
111.04405	12.6
113.02339	1.5
121.02827	3.5
123.00809	5.5
123.04408	47.8
124.04760	1.2
133.02721	1.2
135.04411	2.6
135.08049	2.1
137.09607	6.3
149.02328	4.4
155.03409	100.0
155.10680	32.9
156.03737	3.9
156.11009	2.1
157.08615	1.2
161.02336	1.0
169.12195	1.8
171.10098	1.0
173.04469	1.5
175.03926	1.1
179.03412	1.3
181.04930	1.2
181.08589	3.4
182.15675	1.0
191.05533	17.3
192.05853	1.4
193.04926	2.4
199.09703	25.7
200.10129	1.3
213.11281	1.7
225.07661	12.4
241.10876	6.1
283.11966	2.7
284.03122	1.0
301.12888	1.9
413.18042	5.6
509.18616	1.0
569.22321	34.7
570.22638	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	569.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12198	0.7
55.76799	0.7
59.01257	5.4
61.98699	7.0
65.41933	0.6
68.99711	1.0
69.03347	0.7
71.01253	2.9
71.51959	1.2
73.02827	2.5
75.00755	1.3
81.44537	0.7
81.50652	0.8
83.01238	0.7
85.02844	1.9
87.00756	1.9
89.02329	1.8
93.03341	6.4
97.02850	0.8
97.57943	0.7
101.02344	2.8
105.31728	0.7
108.02043	1.1
109.02849	1.9
111.59418	0.7
113.02318	0.7
119.03386	0.7
121.02878	5.5
122.03632	14.1
123.00762	0.8
123.04395	2.4
132.02048	0.8
133.02867	2.3
135.04385	1.9
135.82048	0.7
136.01566	1.2
137.02356	2.0
145.02910	1.0
146.03654	2.3
147.04442	1.8
149.02348	19.2
149.05997	1.1
150.03131	90.4
151.00371	0.8
151.03879	5.4
151.07477	1.0
155.10779	0.7
158.03694	2.4
159.04489	0.8
160.05226	0.7
161.05943	1.0
162.03146	1.4
163.03848	0.9
164.04716	4.1
165.05487	100.0
166.05855	3.8
167.03474	1.2
173.05946	0.8
175.03929	0.8
175.07523	1.1
177.05502	2.0
178.02611	1.0
178.06409	0.9
180.04216	6.5
181.04932	1.7
189.05560	1.1
191.05556	5.3
192.05917	0.9
193.04994	2.6
195.06557	58.5
196.06926	2.5
201.30981	0.7
206.05806	1.3
239.07065	1.1
249.05449	2.6
251.07114	0.9
257.04468	0.9
265.05026	0.9
267.06592	3.2
269.04761	0.8
269.08069	1.0
277.05060	2.5
281.08224	2.0
283.06104	1.5
284.03302	1.8
285.45834	0.9
295.06250	6.0
297.07510	0.9
298.08264	1.3
309.07648	9.9
310.08420	7.4
311.08957	0.9
313.07159	1.9
313.10837	4.3
323.09265	1.7
324.10022	5.1
325.07153	7.4
325.10831	17.4
326.07526	0.9
326.11151	1.9
327.08649	1.4
328.09619	2.1
329.10025	1.0
340.09561	1.9
340.96555	0.7
343.11810	24.6
344.12146	3.1
355.07465	1.2
355.11850	24.3
356.12228	2.5
373.12842	10.9
374.13181	1.7
389.12561	1.1
491.17123	1.3
506.15686	0.8
521.18341	3.5
539.19092	1.9
551.19452	0.8
569.21454	10.6
570.22058	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	569.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73625	0.7
59.01249	3.7
61.98705	3.5
69.03331	1.5
71.01249	1.1
71.50931	1.1
72.00717	0.6
81.73090	0.8
81.76924	0.7
85.02867	1.5
87.00759	0.8
87.96127	0.6
89.02311	1.0
93.03332	5.6
95.04890	0.8
99.43641	0.6
101.02336	1.6
104.64945	0.6
105.59887	0.7
106.04157	1.1
107.04925	0.8
108.02039	1.1
109.02846	1.0
109.21542	0.7
119.04914	2.2
120.01970	0.9
121.02834	9.2
122.03621	15.5
123.00759	1.2
123.04478	3.3
128.85728	0.8
131.04877	0.8
132.02025	0.9
133.02875	2.7
134.03636	2.6
135.04404	1.7
136.01555	1.4
137.02347	2.1
138.03139	0.9
145.02806	0.8
146.03685	1.1
147.04401	1.9
149.02353	25.1
149.06006	0.8
150.03128	100.0
151.03897	7.3
158.03650	4.0
159.04398	1.6
161.02345	2.4
161.06056	1.5
162.03130	60.1
163.03720	3.3
164.04669	5.0
165.05478	92.3
165.19798	0.8
166.05850	5.1
167.03395	2.2
173.05952	1.0
175.03871	0.8
176.04707	1.5
177.05487	64.9
178.05946	4.2
179.06932	0.8
180.04216	6.9
181.04944	2.6
189.05511	1.5
189.53238	0.9
191.05557	3.6
195.06551	53.0
196.06956	1.7
206.05753	1.6
207.06552	1.0
210.05243	1.0
213.07516	1.5
221.06018	1.4
223.07652	0.9
235.07631	1.0
237.05481	0.9
239.07195	1.5
242.05968	0.8
249.05513	3.3
250.06129	0.8
251.07104	2.2
263.07172	1.5
265.05038	2.2
267.06647	3.3
267.09766	0.7
269.08096	1.0
277.05042	3.1
278.05618	1.2
279.06396	1.1
280.07349	0.8
281.08142	1.3
283.06149	1.4
283.09772	1.0
291.06638	1.2
294.05432	1.2
295.06082	6.8
295.09232	1.0
296.06644	0.8
297.07800	1.7
298.08405	2.0
307.09793	2.4
308.06873	1.4
309.07672	14.0
309.10956	1.4
310.08423	11.1
311.09073	1.8
312.06323	2.3
313.07495	1.6
313.10864	2.9
324.09976	6.7
325.07114	7.1
325.10858	20.1
326.07648	1.3
326.11197	2.5
327.08801	3.0
328.09506	2.3
339.08627	1.2
340.09464	2.4
341.10236	1.2
342.11011	2.7
343.11838	30.8
344.12219	4.0
355.11865	31.2
356.12271	3.2
371.61542	0.8
373.12921	12.1
390.13495	0.8
458.13129	0.8
461.16003	1.2
473.15979	2.2
491.17178	6.5
503.16962	1.6
521.18109	39.3
522.18457	6.9
539.19135	1.6
541.88501	0.8
569.20453	8.8
570.20782	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	568.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87174	0.3
57.28494	0.3
59.01249	30.0
59.25653	0.3
60.01574	3.3
61.01671	3.8
61.98701	100.0
62.02016	0.4
69.03326	0.4
69.26658	2.7
69.27067	0.6
76.12280	0.4
85.23206	0.4
85.68355	0.4
88.00776	0.4
93.03350	1.0
98.19832	0.6
101.02393	0.4
132.52319	0.3
162.03203	1.4
165.05525	0.6
177.05530	1.6
191.05576	1.7
242.33382	0.3
330.14331	0.9
331.14691	0.5
332.14999	0.9
342.14456	0.6
483.15005	0.4
568.19580	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98702	100.0
69.40408	3.2
69.40816	1.1
78.95798	1.4
87.00764	0.7
93.03351	2.2
145.02849	1.2
152.99481	1.1
163.59532	0.6
173.04550	1.0
182.87766	0.6
191.05537	2.3
222.19164	0.7
234.60071	0.6
505.28149	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	568.3338
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	1.8
60.01599	0.1
61.98701	100.0
62.98400	0.2
69.03337	0.2
71.01270	0.7
71.50880	0.2
72.23657	0.1
73.02817	0.2
78.95779	0.6
79.54237	0.1
85.02831	0.6
89.02317	0.3
93.03351	0.4
95.01268	0.1
97.02863	0.1
100.84776	0.1
100.94595	0.1
101.02328	0.6
111.00721	0.1
113.02364	0.4
119.04858	0.1
123.04401	0.3
133.02834	0.2
135.04373	0.1
137.02397	0.2
151.03891	0.1
152.99521	0.3
155.03406	0.2
155.10687	0.2
161.04454	0.3
171.10214	0.3
173.04517	0.3
191.05511	1.5
191.06902	0.1
192.05853	0.2
193.06099	0.1
193.12283	0.1
199.09552	0.1
225.14871	0.1
284.03491	0.2
341.23370	0.4
343.24982	0.2
485.84354	0.1
503.25687	0.1
507.35464	0.4
508.35687	1.6
569.27167	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.3745
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	2.1
57.03312	2.5
57.22857	0.9
59.01250	52.8
61.98696	10.3
71.01254	26.5
72.01591	1.2
72.99170	1.4
73.02821	9.1
78.95813	1.1
83.01232	5.5
83.13879	1.2
85.02825	15.0
87.00754	2.7
87.04391	1.6
89.02327	7.4
89.12517	1.1
93.03336	3.1
95.01283	2.3
95.67941	1.2
96.03869	1.0
99.00754	5.1
101.02310	18.4
111.00757	1.4
113.02312	12.8
115.38035	1.1
115.92014	1.2
119.03408	2.8
135.04370	1.4
135.08032	1.6
137.09630	6.7
143.03481	1.4
151.03891	1.6
152.08246	1.7
153.09058	1.8
155.10677	33.4
156.11040	2.1
159.02948	3.5
161.04446	11.1
163.11153	1.5
173.04410	1.3
191.05547	7.9
193.71300	1.3
199.09666	10.6
205.12375	1.6
209.11748	1.5
210.38774	1.2
218.07985	1.1
229.82834	1.3
241.10912	2.0
262.48709	1.2
299.25937	1.5
311.06671	1.3
316.33438	1.3
345.30011	6.0
411.76959	1.6
492.19138	1.4
507.35349	100.0
508.35672	15.2
567.28162	53.2
568.28333	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	567.3534
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	1.4
59.01236	4.1
61.98694	10.9
71.01237	2.1
71.04899	1.5
71.51080	1.6
74.31228	1.2
78.95786	2.7
80.02529	2.5
81.03316	4.6
83.04908	9.5
84.02040	3.0
85.40676	1.2
95.04896	2.5
97.02856	2.0
97.06460	2.1
114.18291	1.4
123.04430	2.3
123.08067	1.4
125.09606	5.7
135.08018	5.6
137.09631	3.7
139.77222	1.5
141.05449	1.9
153.09113	8.7
163.11194	11.2
165.12773	4.2
171.10190	12.0
179.10623	1.9
179.97119	1.4
181.12280	2.8
185.11731	7.1
191.05507	2.9
191.10710	2.6
191.14330	6.7
197.11768	3.5
207.10231	5.4
209.11768	100.0
210.12071	4.7
217.15842	1.4
219.36299	1.5
225.11246	3.7
227.12827	17.5
245.19121	14.0
289.18085	67.4
290.18509	6.8
305.17496	2.9
307.19135	80.7
308.19382	7.3
325.16623	2.2
325.20151	24.8
326.20538	2.2
499.30737	3.4
517.31635	4.9
535.32843	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	567.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27778	0.3
52.29946	0.3
55.01760	0.7
57.03323	1.1
58.00459	0.7
59.01249	13.6
61.98704	5.3
68.04864	0.3
69.03323	0.7
70.84039	0.7
71.01250	8.9
72.99177	0.4
73.02819	4.0
78.95766	0.8
79.89015	0.3
79.92887	0.3
81.03316	0.4
83.01257	1.4
83.04893	0.8
85.02824	4.7
87.00730	0.8
87.04384	2.5
89.02325	2.9
93.03357	1.4
95.01259	0.8
95.04903	1.2
97.02827	0.6
99.00754	0.8
101.02322	5.1
105.92895	0.3
109.02799	0.4
111.04453	0.4
113.02329	2.7
119.03376	0.8
121.40388	0.3
123.04422	0.5
123.08073	0.6
123.82622	0.4
125.02322	0.7
135.04416	0.5
135.08060	3.4
136.05191	1.1
137.09616	13.5
138.06755	1.8
139.11183	0.5
151.03929	0.7
151.07545	1.5
151.11304	0.4
152.08369	2.1
152.99475	0.5
153.09116	4.2
155.10680	72.0
156.11021	2.8
159.02884	0.4
161.04442	1.8
161.09633	1.1
163.11194	1.8
169.12257	1.5
173.04478	0.8
179.10635	0.9
181.08598	3.0
191.03922	0.5
191.05533	3.7
191.10666	0.4
192.05867	0.5
197.11829	0.5
199.09683	18.2
200.10081	0.8
205.12262	5.3
213.11208	1.1
223.13319	0.8
241.10812	3.3
242.11165	0.4
283.12106	0.5
343.24945	0.5
345.30121	1.1
455.70654	0.3
478.07663	0.3
507.35364	14.0
508.35349	1.7
567.28088	100.0
568.28387	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	567.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	3.1
57.75777	2.9
58.00464	7.0
58.61854	2.6
59.01250	100.0
61.98698	5.4
69.18633	32.5
71.01254	76.5
72.99184	10.1
73.02817	4.7
83.01268	5.4
85.02826	17.2
87.00758	9.5
89.02316	95.9
90.36971	2.9
93.03323	8.0
94.69527	2.6
95.01254	6.2
96.95898	5.2
97.02873	3.0
99.00797	4.4
101.02318	37.9
109.02850	13.2
113.02322	31.9
119.03389	31.7
121.02818	5.4
122.02382	3.6
122.03619	7.5
123.00753	6.1
123.04404	6.3
131.03387	4.7
133.02873	5.9
135.04395	3.1
136.01524	11.1
137.02353	7.4
139.00259	5.6
143.03404	6.0
145.02872	3.1
146.03651	3.1
149.02341	22.2
149.04369	4.3
150.03120	47.5
151.03938	17.6
152.01042	6.0
155.03320	4.0
161.02367	6.7
161.04533	4.3
164.04611	4.8
165.01878	3.6
165.05487	53.5
167.18954	3.0
173.04477	6.3
175.03891	8.3
176.04688	8.3
177.05440	5.5
179.03429	11.1
179.05519	20.3
180.04170	6.7
181.04950	6.0
181.08632	3.8
187.03932	6.9
191.05516	27.7
195.06535	33.2
205.05020	6.9
209.08163	10.8
225.11385	2.9
252.70389	2.9
253.09383	2.9
292.99915	2.9
294.05014	4.1
297.07596	4.1
309.07617	8.4
311.09326	4.2
327.12256	3.9
342.11139	17.2
357.09592	2.5
357.13388	70.2
357.17538	4.7
358.13681	6.9
375.14899	3.1
387.10349	6.0
387.14752	4.7
491.19354	27.8
492.19443	4.5
539.20990	4.3
567.18268	5.5
568.20575	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	567.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10892	1.2
54.36596	1.2
58.00456	1.3
59.01253	35.2
67.01778	2.9
68.02402	3.4
68.99668	1.3
69.21937	5.3
69.22362	8.2
71.01252	36.9
72.99184	4.0
73.02814	5.8
75.00759	1.7
83.01242	2.4
85.02833	12.8
87.00752	5.0
87.39622	1.4
89.01762	2.2
89.02312	36.7
93.03313	3.6
95.01228	3.0
99.00763	2.8
101.02311	20.4
106.47417	1.3
108.02051	1.6
109.02834	3.9
113.02320	15.7
119.03403	12.4
121.02853	6.2
123.04394	2.4
125.02337	1.3
131.03374	2.8
135.04346	1.7
136.01552	3.8
137.02325	13.1
139.03963	1.5
143.03413	4.8
146.03680	1.4
147.00822	1.8
147.04454	1.4
149.02362	1.6
149.04475	3.0
150.03104	1.8
151.03903	4.1
156.04063	3.1
161.02322	2.6
161.04460	8.7
161.05760	1.5
162.03134	1.7
163.03917	1.6
164.01027	1.5
165.01842	71.6
165.05522	4.0
166.02534	4.8
167.07021	3.3
170.49475	1.4
175.03938	1.7
179.03426	23.9
179.05515	15.7
179.07028	2.0
180.04193	37.4
180.05783	3.0
181.04886	5.3
189.05498	3.3
190.06271	2.3
191.03735	2.3
191.05544	9.3
192.05933	1.4
194.05742	5.9
195.02824	2.1
195.06564	37.9
196.06873	2.6
205.05087	2.7
206.05775	1.4
210.05312	6.6
221.08203	2.1
225.07616	25.0
226.07811	1.7
266.05811	1.7
282.05469	2.5
283.05905	1.6
294.05399	2.5
297.07733	5.3
298.08148	1.9
299.09140	3.8
309.07779	5.3
311.09338	2.2
312.09949	1.6
313.10559	1.4
322.00262	1.3
324.09973	2.2
327.08725	12.2
327.12381	4.7
328.08987	2.4
342.11057	19.2
357.13406	100.0
358.13635	9.7
375.14545	5.0
387.14487	7.2
388.14789	1.5
405.15344	6.4
519.18909	8.5
567.20691	14.1
568.21143	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	567.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.3
57.03299	1.6
58.00451	1.7
59.01247	33.6
67.01754	1.5
68.02394	2.9
69.03318	1.1
69.19892	7.5
71.01253	35.9
72.01604	0.8
72.99163	2.6
73.02824	4.4
74.34035	0.8
75.00743	1.0
76.06443	0.7
83.01259	2.3
85.02825	11.8
87.00746	2.6
89.02311	32.0
93.03323	1.5
95.01254	3.4
97.82674	0.8
99.00743	1.5
101.02320	18.0
101.69615	0.8
102.35812	0.8
108.02031	1.2
109.02824	2.5
113.02331	14.2
119.03386	12.5
120.03613	1.0
120.64673	0.8
121.02853	4.2
122.03587	0.9
123.04411	1.9
125.02295	1.2
127.03885	0.8
131.03380	2.2
135.00751	1.1
135.04373	1.7
135.29205	0.8
136.01517	1.6
137.02351	10.7
139.03864	2.2
143.03386	4.0
146.03625	0.9
147.00725	1.4
147.04445	0.8
149.04436	2.2
151.00284	1.5
151.03961	5.0
153.05333	0.8
156.04001	1.6
161.02328	1.0
161.04485	9.3
162.03169	1.1
163.03893	1.1
164.01009	1.7
164.04688	1.2
165.01837	60.1
165.05458	2.2
166.02339	3.6
167.07013	2.5
172.05241	0.8
174.03146	0.9
175.03777	0.9
177.05457	1.2
179.03407	19.7
179.05507	17.5
179.07063	2.6
180.04187	34.9
180.05783	1.9
181.04936	5.3
187.03981	0.9
189.05496	2.7
190.06256	1.7
191.03618	1.3
191.05528	8.2
192.05923	1.9
193.06186	1.3
194.05759	4.8
195.02884	2.5
195.06546	45.7
196.06886	2.3
205.04970	0.8
208.06055	1.3
209.04469	1.2
210.05263	7.1
221.08134	1.7
225.07629	28.3
282.05240	2.3
283.06110	1.0
294.05356	1.8
296.07166	0.8
296.10513	1.3
297.07651	2.4
298.08624	1.1
299.09262	2.3
309.07727	2.7
311.09689	1.1
312.09937	1.7
313.10666	2.0
324.09888	2.3
326.11533	1.3
327.08633	14.1
327.12344	4.0
328.09079	2.1
341.10297	1.4
342.11072	17.9
343.11377	3.3
345.15497	1.6
357.13416	100.0
358.13763	11.8
375.14392	2.7
387.14450	9.0
388.14630	1.1
405.15421	5.7
406.15448	1.1
438.09894	0.9
519.18542	7.7
541.21906	0.8
567.20880	13.8
568.20898	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	567.208
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	3.2
60.99166	1.3
61.98702	6.5
67.01763	4.1
69.03316	1.7
69.16081	3.8
71.01257	2.8
72.99174	0.5
73.02816	0.7
78.95782	0.6
81.03327	1.3
83.04907	0.7
85.02341	0.7
85.02830	7.1
87.00756	5.3
89.02330	0.4
93.03336	27.3
94.03685	0.8
95.01258	0.5
97.02837	0.8
99.00753	0.8
101.02309	0.7
105.03356	0.4
107.01198	0.4
108.02043	0.9
109.02830	2.2
111.04398	3.5
112.02118	0.3
113.02325	0.7
115.03897	0.3
115.91964	1.9
116.92745	0.8
118.98015	0.4
120.99584	0.4
121.02851	1.3
122.03687	0.5
123.04457	0.4
124.01533	1.0
125.02328	1.1
127.03902	1.9
129.01868	0.6
132.02077	2.2
133.02872	2.8
134.03619	3.7
135.04414	11.7
136.04805	0.5
137.02386	2.1
149.02362	1.5
150.03152	2.9
151.00273	1.3
151.03909	2.1
152.01100	0.4
153.01878	0.4
155.03374	1.2
155.10721	0.6
159.04446	0.5
160.01572	5.1
161.02290	1.7
162.03058	0.4
163.03897	0.6
165.01697	0.4
165.05492	2.3
166.02615	0.3
171.03003	0.6
171.04430	0.6
172.05211	0.9
173.04478	10.8
173.05890	0.6
174.03268	1.7
174.04614	0.4
175.03807	0.4
177.01878	1.3
178.02583	1.2
179.02287	0.4
179.03456	3.7
179.06978	0.4
181.05063	0.4
183.04466	0.4
183.10205	0.9
184.05232	0.5
187.03961	0.6
189.67892	0.4
191.05539	100.0
192.05884	4.2
193.01286	0.9
195.06546	1.3
199.09578	0.4
208.03709	0.7
215.05583	1.4
223.06087	1.6
227.03493	0.5
228.04221	0.4
243.06685	0.5
246.79378	0.4
253.05022	0.7
255.10263	0.6
268.03662	0.5
269.04553	7.9
270.04840	0.8
271.13364	2.1
281.11710	1.0
284.03162	0.6
285.03992	2.5
289.14474	0.6
299.12878	6.4
300.13275	0.7
307.08246	1.1
308.08914	1.4
317.13901	3.2
325.10883	0.7
328.12408	0.6
333.07593	0.5
343.11816	13.4
344.12213	1.1
351.07236	5.8
352.07935	1.4
361.07172	2.9
362.07611	0.6
371.15186	0.6
405.06128	13.3
406.06546	1.4
506.34155	0.5
507.70618	0.4
535.18207	25.0
536.18701	4.1
537.20502	1.1
567.11633	2.3
567.20978	6.2
568.21008	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44431	1.0
59.01248	7.3
61.98682	4.5
68.99676	1.8
69.03308	2.5
69.25789	9.4
71.01231	4.1
72.99153	1.3
73.02808	1.2
75.00723	1.0
78.32665	1.1
78.95758	1.2
80.55447	1.0
85.02793	4.5
87.00723	3.8
88.98615	1.2
89.02271	3.0
93.03320	9.8
97.02822	1.6
98.20509	2.0
101.02286	3.3
108.02040	1.3
109.02821	2.5
115.91964	5.1
116.92706	2.4
119.04919	2.8
121.02853	7.4
122.03638	15.4
123.04356	3.5
133.02795	3.4
135.04437	8.3
136.01465	1.5
137.02272	4.1
145.02777	1.7
147.04414	1.2
149.01251	1.6
149.02345	23.9
150.03120	100.0
151.00201	1.2
151.03902	8.7
155.10716	6.7
161.02386	2.5
162.03020	1.6
163.03990	5.2
163.05075	1.0
164.04660	4.3
165.05476	93.5
166.05827	3.5
166.84738	1.1
173.04413	3.2
175.03877	3.1
176.04703	16.3
177.01854	1.5
177.05258	1.7
179.03441	6.9
180.04176	8.2
181.04956	6.2
187.03973	1.0
189.05490	8.5
191.03694	2.1
191.05508	26.1
192.05821	1.7
195.04846	2.3
195.06546	37.6
196.06793	2.1
198.20860	1.2
199.09596	1.2
204.04195	11.1
208.03719	9.2
211.03943	2.5
211.07399	1.8
217.04916	6.6
225.05487	1.4
226.06200	1.2
235.07506	2.1
237.05408	2.3
239.03488	1.3
239.07185	1.9
253.04799	1.3
255.06488	3.5
257.04550	1.2
260.41284	1.3
265.04892	3.4
267.02966	19.9
267.06439	3.0
268.03394	1.3
279.06610	10.1
281.04462	1.5
282.05286	4.0
283.05917	3.2
292.07220	1.5
293.04547	1.5
293.08090	1.6
294.05179	1.1
295.06055	3.0
295.09705	1.3
306.05231	2.4
307.06088	36.9
308.06778	9.8
308.24405	1.1
309.07275	1.5
310.04974	6.2
310.08194	1.9
311.05569	9.2
313.07288	2.2
321.07550	3.5
322.08459	15.6
323.05356	7.6
323.09082	6.7
325.07166	20.6
325.10779	2.8
326.07831	17.6
327.08578	2.7
338.08112	1.6
339.08615	1.2
340.09451	12.9
341.10263	58.5
342.10568	5.8
353.10297	40.3
354.10495	4.8
367.11655	1.4
370.10492	1.7
371.11310	31.4
372.11481	4.0
445.12640	2.0
489.15543	11.6
490.15494	1.3
519.16541	34.8
520.16589	6.1
537.17468	19.0
538.17371	1.9
549.17694	2.7
567.18732	44.7
568.19275	8.9
585.34393	1.2
589.78162	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	567.0931
Annotation	Ridiculuflavone D
Peak:m/z	Relative Intensity
59.01242	0.5
61.98690	0.7
64.99849	0.7
65.00192	11.7
69.87418	1.0
69.87848	0.8
78.95758	0.5
83.01257	4.3
85.04576	0.3
107.01270	12.6
108.01611	0.5
132.67271	0.3
133.02832	0.7
139.03902	0.3
149.02354	0.9
151.00272	21.1
152.00633	0.9
169.01303	0.4
191.05490	0.5
199.03961	0.3
211.03848	0.6
227.03488	0.6
231.04462	1.3
239.03461	0.4
240.04303	0.7
255.02969	8.9
256.03723	6.2
267.02994	1.2
268.03735	3.9
269.04333	1.2
283.02496	4.5
284.03247	6.3
285.03882	2.5
329.28067	0.3
371.05786	0.7
383.05609	6.0
384.05847	0.8
399.04834	0.8
400.05881	0.4
401.06549	1.4
415.08112	0.7
421.06851	0.4
425.06763	0.8
427.04672	1.6
435.08524	0.5
447.08429	0.5
449.06589	0.3
463.08240	1.0
467.07639	1.1
479.07758	0.5
491.07996	1.7
499.10303	0.6
508.07501	0.4
533.04858	0.8
535.06683	27.1
536.07080	5.0
551.06250	1.6
552.06860	1.6
567.09296	100.0
568.09619	20.2
568.18701	0.7
579.05688	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.093
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	0.5
61.98680	0.9
65.00195	8.2
69.74677	2.3
72.50527	0.4
78.95790	1.7
83.01258	2.8
93.03308	0.5
107.01268	10.1
107.81495	0.3
113.09612	1.4
121.02834	0.4
126.16103	0.3
139.97980	0.3
149.02306	0.6
151.00269	19.0
152.00641	0.6
152.99464	1.0
168.04308	0.4
179.10843	0.4
183.04430	0.5
191.05536	1.3
199.03775	0.5
211.03961	1.0
227.03442	0.9
231.04294	0.5
239.03447	0.7
240.04234	1.5
255.02966	14.2
256.03717	7.9
257.04074	0.8
267.03030	1.4
268.03757	5.8
269.04446	2.0
283.02515	5.6
284.03250	9.2
285.03964	3.8
293.21207	9.3
297.04025	0.5
341.67026	0.4
359.05350	0.4
372.06403	0.5
383.05569	5.4
384.05878	0.5
399.04965	0.8
400.05872	0.5
401.06564	0.8
415.07996	0.8
425.06656	0.4
427.04547	1.3
432.05902	0.4
433.09512	0.4
463.08362	0.9
467.07706	1.0
491.07501	1.2
499.10324	2.1
507.07251	0.5
518.28894	4.9
534.05988	0.5
535.06665	21.3
536.07031	4.3
551.06226	2.2
552.06989	1.4
567.09283	100.0
568.09601	19.8
568.18671	0.7
579.05927	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.346
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82164	0.5
59.01250	16.6
61.98711	2.3
61.98993	0.5
68.11975	0.4
68.35956	0.4
70.16437	1.4
73.61480	0.5
78.95779	5.1
85.52770	0.4
87.11026	0.4
93.03320	0.4
152.99483	1.3
168.04193	1.4
191.05592	0.8
224.06873	1.1
235.92142	0.4
242.07982	2.2
267.23273	100.0
268.23621	7.6
300.05408	0.4
367.98514	0.4
372.62476	0.4
471.34872	1.2
472.35242	0.8
492.30939	28.3
493.31189	3.4
580.46844	0.4
586.31573	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31487	0.8
58.00466	0.7
59.01249	66.4
60.01575	1.5
61.98700	100.0
69.03334	0.8
70.07759	0.9
71.01250	8.3
73.02813	2.1
78.95785	1.8
83.01270	1.0
85.02829	7.1
87.00766	1.5
89.02319	4.1
93.03342	3.9
101.02321	5.7
109.02862	0.9
109.38162	0.7
111.04400	1.4
113.02330	4.2
115.91967	1.8
119.03387	1.4
125.02396	0.9
127.03889	1.1
133.02806	0.9
135.04463	2.0
137.02364	1.5
143.03378	0.9
150.03143	0.7
151.03958	1.0
155.03395	0.9
161.02336	2.0
161.04507	2.0
165.05478	1.2
173.04521	2.7
179.03505	1.3
179.05458	0.8
191.05536	41.7
192.05867	11.8
193.05969	3.6
293.67859	0.7
295.13766	0.9
298.15302	1.1
304.37820	0.7
314.03976	0.8
341.14108	2.2
342.14322	5.4
344.08572	1.7
373.16443	2.2
374.16687	5.3
399.23813	11.7
399.28745	0.8
400.24359	1.2
417.24994	10.0
418.25760	1.2
459.25867	3.5
460.26596	1.0
505.34177	1.4
506.34250	1.8
524.35150	1.2
566.22229	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	1.4
61.01649	0.2
61.98700	100.0
65.24861	0.1
65.74525	0.2
71.01249	0.9
71.51010	0.2
73.01691	0.2
73.02819	0.3
85.02802	0.3
87.00767	0.2
89.02316	0.8
90.02682	0.2
93.03358	0.4
93.69926	0.1
94.79997	0.1
101.02335	0.7
103.02783	0.2
113.02341	0.2
119.03450	0.2
123.04450	0.2
133.02888	0.2
135.04462	0.3
149.04436	0.4
161.02258	0.3
173.04398	0.4
179.03409	0.7
191.05536	1.7
191.06874	0.1
194.05835	0.3
209.08147	0.8
239.62001	0.2
343.12027	0.2
456.18884	0.2
504.25494	0.3
505.25790	0.5
506.25970	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	565.229
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01586	1.2
61.98714	0.2
69.42403	1.1
98.19801	0.2
121.02901	0.3
142.92590	0.1
175.70087	0.1
191.05554	0.3
269.08218	1.3
283.09781	0.6
299.09164	1.0
311.09186	1.3
312.09415	0.1
314.11578	1.9
325.10928	0.1
326.11542	1.1
329.13940	6.3
330.14270	0.7
341.13934	3.3
341.17868	0.2
342.14413	0.3
490.32904	0.2
560.25806	0.2
565.15692	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59003	1.2
57.17660	1.2
57.29652	1.2
59.01252	10.8
59.74578	1.1
61.24769	1.1
61.98684	4.9
66.37091	1.1
66.37495	1.1
68.99697	1.8
69.03276	1.1
71.01253	8.1
72.99162	1.5
85.02825	3.2
87.00729	2.5
89.02305	6.3
93.03301	2.4
96.95858	1.8
99.00693	1.3
100.13515	1.2
101.02312	5.2
107.62472	1.3
108.02079	2.5
109.02831	2.6
113.02333	1.6
115.00253	2.5
121.02828	1.5
122.06033	2.0
123.04396	2.1
127.04025	1.3
130.02910	1.3
131.03296	1.7
132.04411	4.7
135.04398	1.3
139.00156	1.3
142.99767	1.4
147.03220	1.7
149.02377	1.3
149.04440	1.3
150.03133	1.2
150.05550	1.4
153.01775	1.4
155.03300	2.7
156.07744	1.3
158.02385	2.1
160.03925	3.7
162.05502	3.2
173.04410	5.4
174.05424	1.4
176.03360	3.4
176.07010	1.5
190.04996	9.3
191.05530	15.1
203.44370	1.2
211.05077	1.4
211.12273	1.4
221.36678	1.2
223.08723	2.9
224.07463	1.3
224.09543	4.3
225.06439	1.7
226.07362	1.9
227.08151	5.0
229.04950	2.5
238.08716	1.2
239.08113	3.1
239.11824	10.2
240.10217	4.1
241.09760	6.2
253.06160	11.4
253.09807	2.0
254.03259	3.4
254.06747	3.3
255.07755	6.5
255.11333	2.4
257.04538	24.6
258.04941	1.9
265.09756	3.4
266.07831	1.3
267.07721	9.9
268.08408	8.6
281.09302	7.9
283.07639	2.2
283.10843	45.8
284.11237	3.3
287.10452	3.8
294.06375	2.0
299.10352	3.9
309.08826	23.0
310.08972	1.6
311.06561	1.6
327.09833	14.2
328.09778	2.3
341.11337	7.9
343.11984	2.4
353.07733	2.9
371.08829	18.4
385.10336	21.5
403.11005	26.9
404.11517	2.0
445.12375	4.3
505.14453	1.6
533.13995	6.2
565.16626	100.0
566.16821	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	564.23
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36131	0.2
59.01244	2.3
60.01588	0.3
61.06764	0.2
61.98704	100.0
63.02290	0.6
65.00201	0.3
69.49910	1.4
71.00920	0.3
71.01259	1.6
72.01598	0.4
72.99167	1.3
73.01650	0.2
73.02826	0.3
78.66385	0.2
81.03315	0.3
83.03159	0.2
85.02831	0.7
87.00767	0.4
89.02323	2.4
90.02661	0.6
91.02743	0.6
93.03353	1.3
98.19861	0.4
101.02328	0.9
102.02654	0.3
103.02736	0.3
104.03067	0.2
107.01276	0.7
109.02841	0.4
113.02335	0.3
116.92747	0.5
117.03368	1.3
118.03709	0.4
121.02868	0.4
123.04408	0.4
127.03887	0.2
131.03394	0.8
132.03712	0.3
133.02869	0.3
133.03877	0.3
134.03552	0.3
135.04433	1.9
137.02333	1.1
149.02364	0.5
149.04489	1.6
150.04788	0.6
151.00269	0.3
151.03896	0.5
151.04968	0.5
152.05223	0.3
159.04402	0.3
161.02394	0.7
162.41937	0.3
173.04477	1.7
173.41960	0.2
179.03380	1.8
180.03815	0.2
191.05553	5.5
192.05862	0.6
193.01350	0.3
204.40244	0.2
225.05481	0.3
227.03476	0.2
247.04538	1.0
268.03799	0.9
269.04541	25.6
270.04892	29.9
271.05090	2.5
320.53104	0.3
353.08740	0.6
403.14020	0.4
416.76254	0.2
472.99249	0.2
564.13928	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	0.5
61.98701	100.0
62.98396	0.2
64.02596	0.1
69.93035	0.4
71.01275	0.3
89.02309	0.5
93.03322	0.1
99.00794	0.1
101.02341	0.2
117.03347	0.2
123.00907	0.1
126.13906	0.1
127.79774	0.1
149.04430	0.2
151.00282	0.2
160.04831	0.2
160.22681	0.1
161.02423	0.1
165.05527	0.1
191.05606	0.4
268.03836	0.2
269.04538	6.7
270.04880	8.5
271.05359	0.5
474.74210	0.1
564.14612	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	1.7
66.46987	1.1
71.01266	2.2
71.29705	1.7
72.99178	7.3
79.56398	0.9
81.03384	1.3
85.02828	7.7
87.00751	3.4
93.03337	10.4
96.64377	1.1
109.02850	3.4
111.04406	2.4
121.02850	3.4
123.04411	1.3
127.03885	1.8
136.19206	1.1
137.02345	16.4
139.03899	3.9
142.08705	1.1
149.02365	4.3
165.01900	2.5
167.03391	4.6
171.02939	1.3
173.04474	12.0
191.05539	100.0
192.05853	4.4
193.01398	7.6
211.02492	1.7
247.04543	14.8
299.07764	2.0
373.07578	1.9
385.07767	1.3
565.13965	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	563.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	0.9
55.58523	0.8
57.03312	1.9
58.00465	3.7
59.01248	85.9
61.98699	7.1
63.92762	0.8
65.92879	0.9
67.01740	1.4
68.99670	1.6
69.03322	3.8
69.21252	1.9
69.21651	7.7
71.01253	64.7
72.99181	6.4
73.02820	10.7
75.00741	1.0
78.95753	1.5
79.86846	0.9
80.53111	0.8
81.03341	1.0
83.01250	3.8
83.04877	1.4
85.02826	14.4
85.99987	1.0
87.00753	8.6
89.02315	96.8
90.02634	1.7
93.03339	7.4
95.01249	5.3
95.04910	0.9
96.95875	7.0
96.96825	1.4
97.02811	3.8
98.02353	1.4
99.00736	3.0
101.02322	50.3
102.02647	1.0
109.02846	1.2
111.00768	7.1
111.01859	0.9
111.04434	1.1
112.93613	1.4
113.02329	11.4
114.69133	0.8
115.00245	2.3
116.55130	0.9
119.03417	7.7
121.02853	2.0
123.04396	2.4
125.02326	3.6
127.03922	1.8
129.01772	1.0
131.03394	40.2
132.03754	1.7
135.04434	0.9
139.00269	0.8
143.03410	1.1
147.04396	1.2
149.04457	100.0
150.03139	0.9
150.04761	2.9
153.39711	1.0
155.02214	1.2
155.03409	16.5
159.06528	0.9
161.04424	2.5
164.35355	0.9
165.05420	2.9
166.01039	0.8
173.04497	4.9
173.05850	1.2
175.06027	2.5
179.05490	1.0
190.04988	1.0
191.05536	51.4
192.05849	2.8
233.06548	1.3
251.07661	2.8
255.02856	2.0
269.07928	1.0
293.08801	2.7
299.07486	1.3
311.09808	3.6
331.10315	1.3
370.40692	0.9
371.15067	2.4
389.16220	1.0
447.84137	1.0
456.12149	0.9
503.24869	6.5
533.03510	0.9
563.19720	14.5
563.27350	2.1
564.19745	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27686	0.3
55.39435	0.3
57.03308	0.4
59.01248	100.0
60.01592	1.0
61.98699	2.8
67.01758	1.1
68.03792	0.3
69.03333	0.5
69.34759	2.3
69.35166	0.6
70.03576	0.3
71.01251	4.7
72.99210	0.4
73.02821	0.9
75.00763	0.4
78.17094	0.4
85.02823	4.3
87.00749	2.7
89.02316	5.1
89.02837	0.4
93.03334	5.1
96.95884	0.5
98.19664	0.3
101.02307	2.7
111.04418	0.6
111.72054	0.4
113.02355	0.8
119.03390	0.5
119.04871	0.5
121.02856	0.6
125.02369	0.5
127.03939	0.9
131.03372	1.8
133.02806	0.6
135.04427	0.6
137.02359	0.4
139.93533	0.3
147.04427	0.6
149.02299	0.4
149.04407	3.4
155.03484	0.6
155.10722	0.5
159.04433	0.3
161.02393	0.3
165.05508	1.6
173.04451	5.0
175.03891	0.7
188.12056	0.4
191.05534	34.0
192.05930	1.2
213.05495	0.4
225.09317	0.5
227.10838	0.6
233.06636	0.4
239.10657	0.5
253.08708	0.5
254.09576	0.7
255.10333	0.4
255.13840	0.4
267.10388	0.4
268.03833	1.2
269.04526	9.7
269.07703	0.5
270.04999	0.4
281.08322	0.6
283.13467	1.7
284.03278	1.5
285.04041	8.0
286.04456	0.7
293.08521	0.4
294.08939	0.5
294.31580	0.3
295.09830	0.4
296.10852	0.4
297.07800	1.1
309.07770	2.1
309.10999	0.5
309.14786	0.4
311.12918	0.8
312.10132	1.3
323.09283	0.7
324.10172	1.0
327.12473	5.2
327.16141	2.1
328.12875	0.9
339.12347	5.3
340.12610	0.5
345.17130	0.9
353.13901	3.6
354.14612	0.6
371.15021	3.9
421.19467	0.3
431.10065	0.8
447.09579	1.0
503.25153	2.5
519.11670	1.1
520.12268	0.4
520.94440	0.3
545.20502	1.3
560.26001	0.4
563.14166	1.5
563.21436	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	563.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
58.29635	0.4
59.01252	1.3
67.01750	1.8
69.26506	4.7
71.01234	1.5
85.02818	8.5
87.00750	3.8
93.03336	11.5
98.20583	0.9
108.02029	2.1
109.02833	2.1
111.04404	1.8
115.62522	0.5
121.02837	1.8
124.01556	3.7
125.02326	1.8
126.03139	1.1
127.03904	2.0
130.25192	0.6
132.02071	0.9
133.02861	1.5
134.03633	5.2
135.04411	64.4
136.04849	1.8
137.02345	1.7
150.03111	2.4
151.03917	7.7
159.04398	0.7
160.01569	2.3
161.02318	1.9
162.03094	0.8
163.03925	0.6
172.05193	1.0
173.04472	4.4
173.05893	0.7
174.03123	0.9
177.01793	0.8
179.03412	14.1
180.04120	2.1
187.03949	0.7
191.05537	100.0
192.05804	3.0
199.03987	0.5
200.04724	1.5
202.08246	0.6
208.45187	0.5
215.05383	0.9
215.07236	0.6
228.04376	1.0
283.13385	1.0
290.07965	1.1
299.16504	0.8
301.14539	0.8
307.08185	4.3
308.09000	12.7
309.09546	0.8
309.14987	2.7
323.07776	0.7
325.14413	1.2
327.16022	7.3
328.16348	1.4
343.15573	2.3
345.16980	1.9
351.07138	2.7
352.07938	8.8
353.09317	0.8
353.13904	5.9
371.14966	46.1
372.11093	0.7
372.15329	5.9
389.16168	1.3
545.20148	1.1
563.21307	11.6
564.21667	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	563.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68654	0.4
57.03310	0.6
59.01248	2.4
60.99170	2.1
65.03873	0.4
67.01762	6.7
69.03323	1.9
69.19688	0.5
69.86252	2.8
69.86554	0.8
71.01256	4.0
71.04237	0.5
72.33617	0.5
72.99191	0.7
73.48391	0.4
81.03342	1.3
83.04919	0.8
85.02822	8.1
87.00748	9.9
93.03334	41.1
94.03685	1.4
99.00747	0.7
99.04409	0.7
105.03316	0.9
108.02031	1.7
109.02848	2.6
111.04401	5.0
121.02844	1.7
124.01550	2.9
125.02326	1.5
126.03111	0.8
127.03887	2.3
129.01849	0.8
132.02077	1.5
133.02846	7.0
134.03636	5.8
135.04414	42.4
136.04796	1.7
137.02377	2.7
139.03912	0.8
150.03125	1.9
151.03905	5.0
155.03369	1.2
158.03664	0.6
160.01570	3.8
161.02310	1.5
172.05214	0.9
173.04474	17.2
174.03111	1.7
174.04715	1.2
177.01849	3.1
178.02609	2.4
179.03423	9.7
180.04115	1.6
186.06685	0.9
191.05537	100.0
192.05879	5.1
201.05418	0.7
203.06911	0.6
211.13441	1.2
214.06351	0.8
215.05521	1.8
215.07108	1.9
227.03320	0.6
256.07452	2.4
262.85995	0.5
281.15668	0.5
283.13406	0.5
299.16541	1.1
306.07547	0.6
307.08270	3.3
308.08987	9.1
309.09378	1.1
309.15097	2.9
327.16010	9.1
328.16452	1.3
345.17105	2.7
345.35425	0.5
351.07239	10.3
352.07935	6.2
353.08600	0.8
353.13818	1.9
371.14993	21.1
371.19672	1.0
372.15280	3.3
389.16064	1.1
412.85306	0.5
423.12958	0.6
545.20227	5.9
546.20319	1.1
563.21295	32.6
564.21539	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	563.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20605	0.3
59.01254	1.8
59.01495	0.3
60.99169	0.4
67.01759	0.9
69.03328	0.6
70.64848	0.5
71.01247	1.5
73.02798	0.5
81.03335	0.7
83.04911	0.3
85.02821	11.9
87.00757	3.5
89.02322	0.4
93.03334	8.0
109.02842	1.1
111.04373	2.2
113.88231	0.3
127.03897	2.6
137.39185	0.4
143.04929	0.6
151.01805	0.3
153.06999	0.5
155.03349	0.6
158.03670	0.8
159.04259	0.4
162.40100	0.3
165.05453	0.4
169.06451	0.3
171.02864	0.8
171.04375	0.4
172.05203	4.1
173.02298	0.4
173.04448	5.2
173.05800	0.4
174.03137	3.1
180.05699	0.5
183.04333	0.4
184.05315	0.3
191.05537	100.0
192.05891	3.4
197.06073	0.5
198.06772	1.1
209.06180	0.3
217.49464	0.3
233.06581	1.2
237.16574	0.6
253.16040	0.4
257.11057	0.3
281.15463	3.9
282.15860	0.4
283.13370	1.0
283.17059	1.3
299.16571	0.5
301.14490	1.1
309.14951	17.6
310.15240	1.6
325.14264	0.4
327.12189	0.5
327.16034	10.1
328.16339	1.2
329.13943	5.9
330.14487	0.7
335.12979	0.5
343.15424	1.1
345.16962	0.8
353.13971	5.8
354.14359	0.6
371.14975	37.2
372.15289	4.8
503.24872	0.5
545.20264	3.5
546.20215	0.7
563.21289	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	1.6
67.01746	3.0
69.03286	1.1
69.26431	6.6
69.26827	1.7
71.01241	2.1
81.03349	0.9
83.04890	1.0
84.41849	0.9
85.02817	11.8
87.00741	3.9
93.03342	12.6
108.02058	1.7
109.02827	3.0
111.04391	2.3
121.02854	2.9
124.01539	4.3
125.02352	2.1
126.03127	1.1
127.03899	4.2
132.02016	1.8
133.02855	2.8
134.03624	6.7
135.04410	88.0
136.04866	2.8
137.02342	2.6
149.05949	0.9
150.03120	3.2
151.03928	8.5
160.01567	3.2
161.02336	2.7
162.02992	0.7
167.03419	0.9
171.02925	0.9
172.05200	1.0
173.04482	4.4
173.05769	0.9
174.03163	1.6
179.03415	16.8
180.04024	2.6
184.23177	0.8
191.05531	100.0
192.05887	2.9
197.06024	1.1
199.03972	0.9
200.04692	1.9
207.85179	0.7
213.05571	0.9
225.62370	0.8
227.03532	1.0
227.06920	0.9
228.04248	1.8
265.39157	0.7
283.13477	1.6
290.07928	1.0
299.16498	1.4
307.08179	3.6
308.09003	12.1
309.14929	3.0
325.14429	1.6
327.16086	7.8
328.16190	0.9
343.15588	3.1
345.17227	0.8
345.90167	0.8
351.07211	1.2
352.07956	8.9
353.13910	5.6
371.14957	38.5
372.15274	5.8
389.16037	0.9
508.08701	0.7
563.21259	10.3
564.21625	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.213
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06422	0.2
57.03325	0.5
59.01249	1.2
60.99163	1.2
63.79351	0.3
65.00584	0.2
67.01750	3.2
69.03323	0.9
71.01246	1.7
71.37724	0.3
73.02800	0.3
81.03336	0.5
83.04882	0.6
85.02816	7.6
87.00744	4.7
93.03330	19.4
94.03637	0.5
96.31113	0.3
99.00743	0.3
99.04411	0.5
105.03351	0.4
108.02044	0.8
109.02832	1.4
111.04402	2.6
113.02369	0.3
116.28204	0.3
118.59291	0.3
121.02847	0.8
122.03615	0.4
124.01543	1.7
125.02331	1.1
126.03097	0.6
127.03909	2.1
129.01880	0.4
132.02063	1.9
133.02843	3.4
134.03645	3.6
135.04410	23.8
136.04837	0.6
137.02327	1.4
139.03888	0.3
149.53670	0.3
150.03125	1.2
151.03918	3.4
155.03409	0.4
158.03551	0.4
160.01543	3.9
161.02293	0.9
171.02934	0.6
172.05212	0.8
173.04456	8.9
174.03214	2.1
174.04593	0.5
177.01877	1.4
178.02608	1.8
179.03416	5.7
180.04135	0.6
184.05254	1.1
187.07666	0.3
191.05527	100.0
192.05887	4.0
197.05949	0.3
200.04675	0.5
211.13327	0.9
214.22836	0.3
215.05295	1.3
215.07114	0.9
227.03302	0.6
228.04218	1.2
255.14108	0.3
281.15500	0.6
283.13370	0.8
290.07880	0.5
299.16486	1.7
301.14474	0.7
307.08148	1.8
308.09012	5.2
309.09250	0.7
309.14917	3.4
327.15964	10.1
328.16293	1.5
329.13718	0.3
343.15585	0.6
345.17142	1.6
351.07153	5.3
352.07907	4.2
353.08472	0.5
353.13861	1.7
371.14960	24.2
372.15289	3.7
389.16098	0.5
545.20325	2.4
546.20703	0.5
563.21271	14.2
564.21576	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	563.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39340	0.4
56.06157	0.4
57.03311	0.7
59.01249	1.4
60.99171	0.5
67.01759	1.5
69.03323	0.7
70.37253	1.5
71.01242	1.8
73.02810	0.6
83.04893	0.8
85.02815	8.2
87.00751	3.2
93.03333	12.3
108.02039	2.2
109.02825	2.7
111.00738	0.5
111.04400	1.8
121.02831	2.0
122.03664	0.8
124.01568	3.9
125.02364	2.3
126.03117	1.3
127.03886	2.5
129.01894	0.5
132.02084	1.1
133.02856	1.9
134.03606	4.8
135.04408	59.7
136.04778	1.7
137.02338	2.0
149.06001	0.5
150.01227	0.4
150.03125	2.6
151.03903	8.6
154.02711	0.6
155.03432	0.5
160.01564	3.0
161.02315	2.9
162.03127	0.6
163.03758	0.6
172.05199	0.6
173.04480	6.3
174.03183	1.0
177.01886	0.8
178.02621	0.9
179.03418	15.7
180.04147	2.1
191.05539	100.0
192.05876	3.9
194.02280	0.8
195.66481	0.4
197.06017	0.6
199.04048	0.7
200.04712	1.7
202.02502	0.7
202.06461	0.5
215.05533	0.8
227.03598	0.9
228.04251	2.0
283.13403	0.7
290.07898	1.1
299.16620	1.1
301.14438	0.6
307.08167	3.1
308.08948	8.4
309.09467	0.9
309.14944	2.5
325.14563	1.4
327.12323	0.8
327.15894	6.5
332.40033	0.4
343.15451	2.9
345.17133	1.6
351.07230	1.2
352.07974	5.4
353.09903	0.6
353.13879	4.4
371.14951	34.5
372.15244	3.9
389.16113	0.7
423.12830	0.8
477.05988	0.5
545.20306	0.6
547.08594	0.5
563.21289	7.5
564.21643	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68804	0.3
56.34215	0.3
59.01247	4.1
60.99159	0.3
67.01762	1.0
68.99663	0.8
69.03316	1.1
69.38351	0.3
69.38728	3.0
71.01244	3.0
72.99168	0.4
73.02815	0.8
77.86060	0.4
81.03338	0.5
85.02818	12.4
87.00746	5.2
88.41132	0.3
89.02327	1.2
93.03326	6.6
95.01270	2.7
97.02837	1.0
99.04379	0.7
101.02322	1.3
104.15305	0.4
109.02840	1.1
111.04398	1.6
113.02344	0.7
119.03371	0.9
121.02834	0.7
121.06468	0.6
123.04396	0.7
127.03909	3.4
135.04459	0.5
137.02335	0.4
146.03568	0.5
149.02374	0.3
149.05945	1.0
153.05487	1.5
155.03412	5.7
157.04971	0.6
165.05470	1.4
166.06259	1.3
167.07018	2.4
171.02936	0.6
173.02264	0.6
173.04510	3.0
175.05980	0.5
179.07088	0.6
181.08592	1.0
190.02641	1.1
191.05531	100.0
192.05894	3.8
201.01746	0.5
223.07562	0.3
225.05511	1.3
229.05034	0.7
234.01666	3.1
235.02266	0.5
249.04024	1.6
251.07048	0.5
253.04976	1.8
255.06691	0.4
257.08066	0.8
259.05878	0.7
267.06622	0.5
268.07516	0.8
269.08212	0.6
283.06073	0.7
292.93207	0.3
295.06235	1.1
297.04047	0.8
299.07782	1.0
301.10800	0.8
312.06012	0.7
313.07184	0.9
327.08743	1.7
327.14438	3.5
331.10339	0.5
363.14328	1.2
461.16809	0.5
475.14566	0.6
487.12598	0.4
519.15002	1.6
520.15460	0.4
563.19568	3.9
564.20398	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1421
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	1.3
60.01586	0.2
60.94461	0.1
61.01681	0.1
61.98701	19.3
63.02264	1.2
63.02575	0.1
65.00168	0.5
66.63643	0.1
69.49977	0.3
69.50387	0.2
71.01249	0.9
72.01573	0.1
72.99177	0.2
73.02824	0.2
83.01268	0.2
85.02845	0.2
87.00768	0.1
89.02310	1.8
89.71780	0.1
90.02666	0.2
93.03343	0.4
99.00757	0.3
101.02325	0.6
102.02638	0.1
103.74362	0.1
105.03374	0.1
107.01275	1.1
113.02329	0.2
117.03337	2.5
118.03715	0.1
119.03392	0.1
119.04924	0.1
121.02824	0.1
123.02122	0.1
125.02294	0.1
131.03407	0.3
132.03766	0.1
132.64085	0.1
133.02899	0.1
135.04417	0.2
144.32002	0.1
148.01593	0.1
149.02382	0.6
149.04448	1.3
150.04813	0.4
151.00275	0.8
151.04942	0.2
155.03407	0.2
155.04878	0.1
159.04437	1.2
159.58809	0.1
160.04840	0.1
161.02336	0.7
165.05460	0.3
169.06601	0.4
171.04462	0.2
173.04407	0.1
180.05704	0.1
181.06505	0.5
183.04474	0.6
191.05542	1.1
192.05869	0.1
195.04404	0.1
196.05191	0.3
197.06039	0.6
199.03889	0.2
201.05531	0.6
203.03416	0.1
208.05222	0.1
211.03914	0.2
224.04732	0.2
225.05518	1.2
227.03432	0.5
239.03467	0.2
240.04280	0.3
241.05124	0.1
267.02951	0.2
268.03763	3.7
269.04535	100.0
270.04874	8.2
270.08063	0.1
311.05655	0.3
314.91534	0.1
322.36969	0.1
348.16879	0.1
371.14835	0.1
563.13837	2.7
564.14191	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1406
Annotation	Apiin
Peak:m/z	Relative Intensity
59.01254	1.0
61.98694	1.2
63.02260	1.3
65.00167	0.5
71.01247	0.9
71.27792	0.1
73.02827	0.1
83.01269	0.2
85.02804	0.3
85.28495	0.1
87.00746	0.1
89.02317	0.8
90.02668	0.1
93.03323	0.4
96.95887	0.2
96.96822	0.1
101.02327	0.4
105.03346	0.2
107.01269	1.2
111.00774	0.1
113.02335	0.2
115.16669	0.1
117.03344	2.6
118.03667	0.1
121.02816	0.1
131.03410	0.3
135.04407	0.2
141.03343	0.1
147.00706	0.1
149.02341	0.8
149.04393	0.4
151.00269	0.9
155.04950	0.2
157.06450	0.1
159.04437	1.2
161.02359	0.8
161.04407	0.1
169.06490	0.3
171.04404	0.2
180.05731	0.2
181.06509	0.4
182.03705	0.1
183.04413	0.6
191.05504	0.9
192.05940	0.1
195.04416	0.1
196.05238	0.3
197.06046	0.5
199.03914	0.2
201.05502	0.5
203.03412	0.1
211.03935	0.1
213.05473	0.1
224.04742	0.3
225.05530	1.1
227.03467	0.4
239.03410	0.2
240.04250	0.3
241.04813	0.1
253.05165	0.1
268.03754	3.0
269.04538	100.0
270.04880	8.2
311.05557	0.3
371.21109	0.1
503.25073	0.6
563.13959	1.9
564.14594	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47418	0.9
51.25415	0.9
51.26478	0.8
52.02640	1.0
58.00467	4.2
59.01252	93.9
60.01614	1.0
62.16872	1.0
62.58534	0.9
63.92858	1.0
70.84296	1.0
70.84631	2.2
71.01254	61.2
71.37874	0.9
72.99182	4.8
73.02820	10.2
82.19926	1.0
83.01254	3.0
85.02831	9.9
87.00734	5.8
87.44706	1.0
89.02318	100.0
99.00742	1.4
101.02324	44.3
107.58246	1.0
113.02331	10.1
119.03390	6.0
125.02305	1.4
131.03400	34.2
137.09601	3.5
143.03406	2.0
149.04468	80.0
150.04854	2.9
161.04539	2.0
191.03918	0.9
191.05551	18.4
214.97855	1.0
251.07857	1.2
265.76373	1.0
311.09955	2.7
376.48849	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3148
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	1.3
59.56651	0.3
61.98701	0.4
70.89129	0.7
70.89482	0.6
71.01263	0.6
71.04906	0.6
71.98447	0.4
77.32336	0.3
78.95773	8.8
78.96214	0.6
85.02830	0.8
85.06444	0.4
87.00764	0.4
93.03349	1.7
109.02869	0.4
111.04375	0.7
115.49703	0.4
119.81104	0.4
121.02794	0.4
135.04428	1.6
140.01065	2.7
140.11964	0.3
152.99481	1.0
155.14284	0.9
163.11238	0.5
165.12730	1.1
173.04440	0.6
181.12221	1.6
191.05533	6.1
191.07130	0.4
193.40721	0.3
196.03716	1.4
199.13339	24.9
200.13666	1.0
206.01105	0.4
212.44487	0.3
214.04797	3.7
249.18599	1.1
263.20148	2.1
279.19659	1.9
327.15988	0.4
347.25937	7.2
348.26413	0.4
363.25272	0.7
365.26947	100.0
366.27283	11.7
371.14935	1.5
437.16156	0.4
488.27933	0.9
562.31476	22.0
563.21759	1.0
563.31799	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	561.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29953	0.6
54.68393	0.6
56.06600	0.6
57.03329	1.5
58.00468	0.8
59.01259	6.4
60.90306	0.6
67.01762	31.6
68.02106	0.8
68.99695	2.4
69.03326	4.6
69.57220	0.5
69.71832	3.0
71.01257	6.7
72.99182	1.0
73.02827	1.3
74.63036	0.6
75.00762	0.8
80.96416	1.1
81.03339	2.0
83.04895	1.7
85.02810	3.7
87.00763	1.1
89.02332	2.5
93.03335	24.4
95.01270	8.6
95.04909	0.9
97.02836	6.3
99.00776	0.7
99.04409	3.9
101.02317	5.0
105.01834	4.1
106.68847	0.6
109.02837	0.9
111.00768	1.2
111.04411	10.8
112.01537	1.3
113.02334	2.6
121.02846	5.0
122.20631	0.6
123.04417	6.7
124.04844	0.6
127.03909	94.3
128.04239	2.6
137.02370	4.2
143.03398	1.3
147.04442	0.6
149.02361	6.8
149.04356	0.9
151.03934	0.7
153.05486	0.7
155.03410	29.1
156.03734	1.0
165.05492	1.0
173.04472	13.7
191.05548	5.1
193.04980	1.6
201.03992	1.1
211.17621	0.6
216.53374	0.5
217.07149	7.8
297.09827	2.5
311.07697	2.0
329.08786	44.2
330.09177	3.2
358.37000	0.6
367.10193	5.9
381.11646	1.1
422.28113	0.6
429.13910	1.0
439.32480	0.6
473.12939	2.5
476.11398	0.7
517.15924	0.8
521.78693	0.7
529.15509	1.8
532.04364	0.6
561.18268	100.0
562.18591	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	561.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	6.1
62.25147	0.8
67.01753	3.7
68.99686	2.9
69.03311	1.9
70.53620	3.0
71.01250	7.4
81.03339	1.2
83.04882	1.0
85.02838	1.6
86.56214	0.7
89.02314	2.8
93.03329	14.4
95.01258	25.7
96.92295	0.8
101.02320	10.3
109.02873	0.8
111.00718	1.2
111.04384	3.5
119.03393	1.0
121.02870	1.3
123.04426	6.2
127.03899	1.8
149.02332	1.4
155.03401	100.0
156.03716	3.4
157.04958	1.3
173.04497	8.4
180.43030	0.9
326.30237	0.7
329.08694	2.4
561.18243	44.2
562.18512	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.146
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	2.9
58.08884	0.6
59.01250	10.3
61.98688	1.4
62.41957	0.5
65.00180	0.5
67.01764	2.9
68.99678	2.1
69.03343	0.6
71.01253	12.2
71.51553	0.6
71.51936	1.0
72.99179	4.7
73.02827	1.4
78.95767	1.2
79.95615	0.9
80.96378	2.7
82.95979	1.9
83.01260	4.3
85.02823	52.6
86.03168	0.6
87.00755	2.7
89.02319	10.5
93.03322	2.7
94.97980	0.6
95.01266	1.4
96.95906	4.7
96.96863	2.1
97.02808	0.6
98.02330	0.6
99.00753	2.5
101.02323	9.6
111.00764	100.0
112.01112	2.5
112.98685	1.3
113.02341	2.0
115.00251	0.6
119.03387	1.9
123.04414	1.7
127.03893	1.0
129.01831	35.9
130.02202	0.9
130.08621	1.7
131.03397	2.0
133.02847	0.7
135.04410	1.0
137.02345	1.0
142.99820	0.9
143.03340	0.9
149.02464	0.6
149.04480	5.9
149.99844	0.5
151.00259	1.5
154.99782	10.3
155.03406	5.5
161.04488	0.6
164.98553	0.7
172.06085	0.8
173.00832	63.6
173.04346	2.5
174.01178	2.1
179.05615	0.7
191.05536	9.1
375.57706	0.5
399.12921	0.7
465.00928	0.5
481.06622	1.1
561.13837	1.6
561.21082	7.3
562.20721	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03286	1.7
59.01241	8.9
62.98639	1.3
67.01749	4.8
68.99689	5.4
69.03298	2.0
69.21402	4.8
69.21828	8.8
71.01248	8.8
80.03455	1.2
81.03291	1.5
85.02798	2.3
88.97367	1.3
89.02301	5.6
93.03335	16.0
95.01257	33.1
95.01840	2.6
98.19862	3.1
101.02328	9.1
111.04382	4.2
119.03399	1.9
121.02834	1.8
123.03657	1.1
123.04398	8.1
129.01787	1.3
154.19400	1.2
155.03397	100.0
156.03706	4.0
157.04994	2.0
163.43484	1.3
173.04463	8.1
179.05548	1.6
209.42279	1.3
226.81270	1.4
329.08838	5.0
333.75629	1.3
561.18201	74.0
562.18610	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	561.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69513	3.0
57.01814	2.6
57.03329	15.2
59.01248	43.2
60.99166	3.0
66.56955	3.3
67.01759	10.1
68.99696	13.2
69.03325	13.0
71.01252	100.0
71.51334	2.6
72.99176	7.4
73.02818	7.8
75.00739	21.7
80.96371	3.9
83.01250	18.8
85.02795	20.2
86.63178	2.7
87.00739	8.8
89.02319	31.4
93.03339	9.2
95.01249	4.7
99.00755	17.3
101.02323	36.8
105.01808	8.4
109.02807	3.1
111.00762	45.0
112.98678	15.0
113.02317	9.8
115.00246	5.7
119.03390	13.3
119.04881	3.0
121.02874	13.6
123.04401	7.4
127.03915	4.8
129.01833	40.4
137.05984	3.2
145.01355	6.8
149.02379	3.9
149.04427	7.7
153.05498	5.9
155.03468	13.7
161.04547	3.7
165.05548	3.2
173.00797	9.6
176.01048	3.1
179.05551	6.2
179.06979	3.3
181.04990	4.6
187.03979	3.8
191.05592	18.2
193.04831	3.0
207.06595	3.1
231.06685	3.1
272.90756	2.8
320.01694	3.5
429.13937	4.3
471.15186	7.3
489.15829	3.5
503.17581	4.5
543.17969	3.7
549.23798	3.4
561.17975	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	559.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48478	0.4
59.01252	5.2
61.71701	0.4
61.98705	1.4
63.63639	0.4
63.96117	1.2
65.00192	1.6
68.99689	1.1
69.03322	1.8
69.31932	3.5
71.01252	9.8
71.13377	0.4
72.99168	1.0
73.02813	2.5
73.81901	0.4
74.02380	0.5
78.95778	3.5
78.98459	5.1
79.95610	8.2
80.96391	55.0
81.03342	0.9
83.01250	1.9
83.04929	0.5
85.02825	3.9
87.00751	2.9
89.02335	3.0
93.03326	2.5
94.97959	13.2
95.01252	0.6
96.95902	1.5
96.96860	1.7
97.02831	1.8
101.02335	5.7
106.97931	2.5
107.01282	2.9
109.02804	1.2
109.06490	1.2
111.00765	0.6
113.02338	1.4
114.81252	0.4
119.03412	0.9
121.02838	0.8
122.97488	4.6
123.04373	0.7
125.02361	4.4
127.03913	1.0
130.08615	0.9
134.03627	1.1
134.97482	3.4
135.04384	1.1
136.99057	1.3
137.02368	1.1
143.07013	0.5
148.99043	4.9
149.04494	1.6
149.05977	1.3
150.03226	0.7
150.99141	0.8
151.00278	9.7
151.01385	0.9
151.03810	0.6
152.00670	0.5
152.98529	5.9
152.99550	2.0
153.05495	1.2
161.04552	0.5
163.11261	0.9
164.98578	9.8
165.00037	1.6
165.01842	1.5
165.05479	0.9
167.03426	0.9
173.02342	1.0
173.04468	5.0
174.03215	1.1
175.00253	0.6
181.12404	0.4
182.40659	0.4
182.99634	1.8
187.03941	5.6
191.05508	3.8
206.99648	3.2
207.10233	2.4
209.11809	3.7
225.00703	21.8
225.11360	1.5
226.01111	0.6
241.01260	2.0
243.01733	2.2
245.08127	0.7
255.02992	0.6
257.04343	0.6
265.05142	0.5
271.06125	0.6
273.02292	0.7
285.04153	0.6
295.34268	0.5
299.04401	2.4
308.03458	1.0
309.03995	2.1
317.01270	4.2
318.01584	0.9
337.03577	0.7
337.20352	0.7
339.05081	1.7
397.09344	1.6
397.14532	0.7
470.63898	0.4
479.06540	12.1
480.06262	2.2
501.10675	1.0
527.18109	2.0
541.17255	1.2
559.03241	3.3
559.20856	100.0
560.21338	12.0
569.61945	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43735	1.2
59.01245	17.4
60.99162	1.2
61.62102	1.3
61.98702	13.9
68.99683	1.1
69.03323	3.9
69.29615	10.5
71.01247	8.5
73.02834	2.4
75.00779	1.4
78.74873	1.3
78.95760	1.5
83.04886	1.1
84.77930	1.1
85.02831	3.6
87.00753	3.4
87.04406	1.9
88.98686	2.4
89.02316	6.4
93.03323	12.3
96.95913	3.6
97.02825	1.6
99.00809	1.8
101.02322	4.7
107.04952	2.0
108.02044	3.5
109.02856	7.6
111.00763	1.4
111.04414	1.9
113.02347	3.9
119.03402	1.3
119.04929	4.9
121.02841	27.3
122.02363	3.0
122.03645	20.4
123.04440	7.4
124.01579	2.1
125.02276	2.2
129.03394	1.9
132.02089	3.4
133.02847	17.6
134.03625	12.8
135.04424	7.1
136.01527	2.5
137.02327	7.0
137.05971	1.3
145.02861	10.9
146.03621	4.8
146.04753	1.2
147.04422	13.5
148.05063	1.5
149.02353	36.9
149.05983	16.5
150.03128	97.6
151.00287	1.6
151.03592	5.6
153.05415	1.4
154.02641	3.1
155.03352	3.0
155.10715	7.1
159.04396	1.9
161.02377	2.8
161.04541	1.5
161.05962	5.8
162.03101	2.8
163.03897	7.1
164.04732	9.9
165.05481	100.0
166.05785	7.0
167.03340	1.3
167.05914	1.5
173.04507	2.7
175.07487	1.3
177.05452	5.4
179.03441	1.6
179.05612	2.5
179.07005	10.8
180.04179	4.5
181.04915	3.3
191.05511	17.1
191.06960	1.1
195.06544	34.2
196.06876	3.4
199.09669	4.1
209.05873	1.2
209.08070	1.6
215.83434	1.3
244.12224	1.5
281.08939	1.5
297.11292	3.0
315.12390	3.8
325.08255	3.5
329.13864	4.9
330.14343	2.0
331.14963	1.7
346.14157	5.0
347.14935	12.2
348.15485	2.5
361.16571	61.2
362.17096	6.5
415.17688	7.3
421.91663	1.4
479.19867	7.0
509.21780	97.9
510.22153	18.2
521.15271	2.1
521.22766	7.4
539.23279	8.2
557.23523	11.4
558.23193	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	557.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	0.2
59.01252	4.4
62.27889	0.2
65.03831	0.7
65.41539	0.2
65.53690	0.2
67.01768	0.2
68.99693	1.7
69.03327	7.6
69.16012	0.2
69.63102	1.1
69.63527	0.5
70.03661	0.3
71.01258	2.6
73.99004	0.2
78.95763	0.3
83.01253	0.3
85.02824	0.6
89.02322	2.8
93.03334	2.9
95.28963	0.2
97.06480	0.2
99.08035	27.9
100.08388	0.6
101.02325	5.1
107.04927	0.3
110.25809	0.2
113.02357	1.0
117.18764	0.2
119.03406	1.1
121.02805	1.4
121.03590	0.2
121.06424	0.5
127.07531	0.4
135.04422	0.4
143.07007	0.4
145.08604	100.0
146.08939	4.0
149.02249	0.2
153.05487	7.1
153.06709	0.4
158.82002	0.2
161.02400	0.2
163.07587	0.5
165.05531	0.3
173.04523	0.3
173.06007	0.6
179.03404	1.4
179.05521	0.4
191.05502	1.4
191.07094	1.0
192.05879	0.3
198.37297	0.2
205.08621	0.4
223.09676	0.6
235.06155	0.3
249.07637	0.6
267.08783	0.4
293.13797	0.3
325.12912	2.0
353.12234	0.2
363.14130	0.3
429.13992	12.9
430.14185	1.0
557.22241	10.4
558.22717	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	557.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16851	0.9
58.00459	1.5
59.01258	7.9
61.98706	2.5
64.00262	0.8
64.17526	1.0
64.86934	0.9
67.59028	0.9
69.03322	1.8
71.01270	4.4
71.51278	1.8
73.02821	3.8
73.31174	0.8
73.82632	0.8
74.78481	0.8
85.02836	3.6
87.00766	2.5
87.04398	5.4
89.02308	2.4
90.19813	0.8
92.19158	0.8
93.03345	2.1
96.95875	1.4
97.02822	1.2
101.02348	6.8
101.03693	0.9
108.02055	2.2
109.02850	1.1
111.04427	1.1
113.02312	1.4
117.03342	4.2
119.03366	1.4
119.04982	1.0
121.02863	2.4
123.00761	2.8
123.04409	2.4
124.01541	1.5
125.02347	1.2
130.96040	0.9
132.11096	0.9
133.02910	1.5
135.04391	3.0
135.08092	1.9
137.09621	14.5
138.03120	2.3
145.02876	15.3
146.03621	2.5
147.04442	3.8
149.02432	1.5
150.03110	2.2
151.03886	2.5
151.11166	1.1
153.01826	1.8
153.05495	1.3
155.10689	100.0
156.10966	4.3
161.02357	15.7
162.03157	15.5
163.03925	12.3
164.04297	1.1
165.05484	3.9
169.12267	3.9
173.04457	1.7
175.50073	1.0
177.05492	1.8
180.04333	1.1
181.05005	1.6
181.08606	4.8
191.05545	9.2
195.06564	3.7
199.09697	61.8
200.10068	2.5
200.41341	1.0
211.06042	1.7
212.06300	1.1
213.11255	5.1
241.10797	17.2
242.11119	1.5
271.11938	2.6
283.11911	1.9
301.12915	9.8
309.15030	1.1
325.09387	1.6
335.22269	2.1
361.15244	4.6
371.15063	2.2
372.15570	1.1
399.39481	1.0
485.75018	0.9
533.65271	1.0
539.21344	42.4
540.21637	7.3
557.22406	47.0
558.22552	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	557.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	1.2
58.00456	1.6
59.01249	5.8
67.12933	0.9
67.67056	0.8
71.01246	1.5
73.02804	1.7
73.79907	0.8
85.02814	2.4
87.04388	11.0
93.03328	1.8
97.02835	1.6
99.70370	0.8
101.02327	1.6
107.69276	0.7
113.02298	0.7
116.97986	0.7
121.02843	2.8
122.03630	6.6
125.02314	1.7
135.08017	1.4
137.08684	1.1
137.09624	8.9
139.07539	2.3
149.02310	2.6
150.03128	57.9
151.03770	4.0
151.11198	1.0
155.10683	39.1
156.11029	1.6
161.95047	0.8
163.07347	1.0
163.11169	1.0
165.05481	100.0
166.05798	6.0
167.10751	0.8
169.12241	2.2
177.09239	1.1
179.10689	4.2
180.04230	0.8
181.08624	4.3
191.10709	1.9
195.10266	3.8
199.09695	28.7
199.13457	1.2
200.09984	0.9
211.01582	0.7
213.07649	3.9
213.11287	1.6
215.07532	0.8
223.09627	1.7
225.11349	0.9
229.63432	0.9
241.10780	9.5
242.11240	1.2
243.26259	0.7
253.10710	2.0
255.12355	1.7
283.11880	13.8
284.12103	0.9
343.13907	7.7
557.22357	22.0
558.22760	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	557.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79490	1.0
58.00450	1.5
59.01246	12.2
61.98711	6.8
65.32752	1.1
67.02792	1.0
68.20621	1.0
68.99701	1.2
69.03335	10.2
71.01252	6.9
71.51414	1.5
72.99176	1.2
73.02809	4.8
78.95812	2.0
80.96396	1.2
81.03297	1.5
85.02822	6.0
87.00780	1.7
87.04379	7.5
88.55479	0.9
88.98678	1.5
89.02311	3.2
89.99721	0.9
93.03337	5.5
97.02818	1.8
99.08015	1.1
101.02316	8.0
101.57658	1.2
107.04938	1.9
107.08539	14.4
109.02792	1.2
113.02344	1.8
120.08167	1.0
120.99543	1.0
123.04452	1.0
125.02308	1.1
133.02873	1.6
135.04433	7.8
135.08034	2.9
137.02313	1.4
137.09613	18.7
138.09912	1.2
139.11177	2.9
139.65677	1.0
145.08612	3.8
150.03088	1.8
151.07573	8.8
152.99467	3.5
155.10681	100.0
156.10991	4.4
161.02364	3.1
161.04474	1.4
161.05861	1.4
165.05495	3.0
169.12280	4.9
171.10139	4.7
173.04520	6.9
175.09094	1.0
179.03297	1.4
181.08646	5.1
183.13760	1.0
185.11681	1.2
191.05531	19.0
192.05824	1.5
195.06561	21.8
199.09683	73.2
200.10033	4.2
211.13275	1.7
213.11191	3.8
225.13969	1.1
229.14290	1.0
241.10745	19.5
271.11713	3.0
301.12851	12.7
309.04074	2.0
322.04889	1.3
329.23254	4.5
333.07437	1.1
335.05396	2.2
335.22226	4.1
343.14078	1.1
351.08762	7.7
361.14926	10.0
513.15729	1.3
513.23431	32.3
514.23688	3.9
557.13092	11.3
557.22266	49.7
558.13458	3.1
558.22638	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	557.224
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	0.4
59.01256	2.2
60.99173	0.4
61.98709	4.4
67.01744	0.4
69.03325	2.7
69.23479	3.5
71.01252	1.3
72.99191	0.4
73.02821	2.5
73.23977	0.3
78.95760	0.4
81.03362	0.4
85.02818	1.6
86.00039	0.4
87.00744	1.0
87.04388	1.2
88.98678	1.8
89.02320	1.6
93.03341	1.7
95.01241	0.4
95.04909	1.3
95.05474	0.3
97.02808	0.3
97.06429	0.3
98.19779	0.7
101.02332	1.5
103.09904	0.4
106.23285	0.3
107.04898	0.5
108.02094	0.8
109.02853	0.4
109.06476	0.3
111.04411	0.5
113.02344	1.8
117.03320	0.9
119.03391	0.4
119.04922	0.5
121.02843	1.5
122.03622	0.5
123.04437	1.9
133.02834	0.8
134.03619	0.4
135.04440	2.4
135.08043	1.7
137.02361	0.9
137.09631	10.5
138.09862	0.4
145.02896	3.5
146.03638	1.0
147.04416	1.5
149.02344	1.0
149.06053	0.3
150.03145	5.4
151.03937	2.8
151.07480	0.5
153.01851	0.7
155.10692	100.0
156.11024	4.9
161.02354	4.9
161.04483	0.4
161.05969	0.4
162.03139	4.7
163.03932	2.3
165.05489	7.6
166.05832	0.7
169.08615	0.7
169.12218	0.6
173.04474	1.2
173.05862	0.4
175.02466	0.5
177.05466	2.1
179.03421	0.9
180.04247	0.3
181.04976	1.6
181.08647	1.8
191.05550	7.2
191.07005	0.4
192.05968	0.8
195.06508	1.8
199.09702	83.1
200.10008	3.7
207.06604	0.3
213.07539	0.5
213.11295	1.0
240.07971	0.4
241.10785	6.2
345.13135	0.4
347.15140	1.4
361.14999	0.9
377.16101	7.5
378.16473	1.1
383.12369	0.7
395.17105	24.8
396.17468	3.0
403.12335	0.4
419.16977	0.6
557.22498	13.8
558.22864	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	556.317
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79426	0.3
57.04917	0.3
57.92790	0.3
59.01236	1.2
61.98703	10.1
69.67615	1.2
69.68016	0.6
71.01241	0.7
73.02816	0.5
78.95771	6.6
78.98465	0.8
79.95609	0.6
80.96388	6.9
81.96365	0.4
82.95958	0.4
82.96828	0.4
85.02811	0.5
85.27223	0.3
87.00724	0.4
94.97958	1.5
98.20596	0.3
101.02321	0.4
105.51367	0.3
106.97961	0.5
111.88851	0.3
116.80600	0.3
122.97479	0.4
125.02288	0.4
134.97458	0.7
140.51634	0.3
148.99052	0.6
152.98427	0.7
152.99501	1.2
164.98515	1.0
168.04219	1.6
206.99481	0.3
212.64450	0.3
224.06876	1.3
225.00702	1.7
226.00952	0.6
242.07956	2.8
255.23251	2.0
256.23569	2.2
257.23941	1.6
281.24844	100.0
282.25217	10.2
294.97858	0.3
481.31378	0.5
482.31717	1.8
506.32501	28.3
507.32867	4.2
556.28693	12.0
557.28699	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	557.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18247	0.7
54.15454	0.8
57.03324	1.6
58.00464	1.3
58.90862	0.7
59.01250	5.1
71.01255	2.8
73.02810	1.7
85.02818	3.3
87.04382	10.5
93.03314	1.5
94.86483	0.8
97.02838	2.2
101.02316	2.3
104.44462	0.8
107.04932	0.9
109.06468	0.8
109.95338	0.7
111.04373	1.4
113.02309	0.9
115.80193	0.8
121.02802	1.6
122.03612	7.0
125.02315	1.0
135.04411	1.5
135.08025	1.0
137.05959	1.1
137.09624	7.0
139.07536	1.8
149.02312	1.9
150.03125	53.1
151.03899	3.9
151.11165	1.3
155.10680	36.5
156.10994	1.9
163.11163	2.3
165.05478	100.0
166.05814	4.3
167.10661	1.1
169.12267	1.8
179.10640	3.1
181.08621	4.6
182.07207	1.0
191.05507	2.2
191.10692	2.3
192.11066	0.8
195.10228	2.5
199.09683	32.4
200.10031	1.6
213.07652	2.5
213.11189	1.7
223.09727	1.8
229.68665	0.8
237.11256	1.7
241.10811	10.2
253.10849	2.0
255.12343	2.0
283.11865	15.6
284.12506	1.2
343.13934	10.4
436.45062	0.8
474.29410	0.9
557.14380	1.7
557.22308	21.0
558.22858	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	555.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	0.8
59.85939	0.6
61.98689	2.4
67.48875	0.6
80.86034	0.6
84.45811	0.6
88.51057	0.6
93.03323	2.4
95.01260	1.3
95.04884	1.0
97.02856	0.7
108.02093	0.9
109.02805	1.2
113.02287	0.8
116.02609	0.8
121.02850	6.5
122.03649	6.3
123.04396	1.8
124.05242	0.6
133.02876	1.7
135.04413	0.8
137.02243	0.8
147.04459	1.4
149.02348	46.6
150.03140	51.4
151.03557	1.5
152.99475	0.8
153.05396	0.8
155.10657	1.9
163.03961	1.7
164.04707	10.0
165.05482	52.9
166.05884	2.8
173.04547	1.0
178.02550	1.1
179.07039	1.7
180.04181	3.6
191.05533	2.4
193.04951	1.8
195.06570	36.0
196.06874	2.2
199.09634	1.1
211.13376	0.9
229.62144	0.7
240.04233	0.8
241.08638	1.4
267.10162	0.7
269.08325	3.4
269.11755	3.2
283.09836	0.9
296.10422	1.3
297.11267	8.3
298.08588	0.9
298.11853	1.6
299.09192	2.0
299.12433	0.8
300.09821	1.9
311.09265	3.3
311.12656	1.3
313.10721	1.3
314.11609	5.4
315.12357	2.3
325.10843	2.3
326.11594	1.9
327.12369	1.8
327.21774	2.1
329.13977	11.8
330.14130	1.4
341.13947	7.2
371.14487	0.7
431.14935	3.0
433.16721	3.4
447.13968	0.9
461.16013	0.8
462.16885	2.8
463.17856	1.1
477.19180	16.7
477.26001	1.0
478.19553	2.4
481.21619	0.7
489.19189	2.4
492.18158	2.3
507.20227	100.0
508.20609	17.2
555.22339	3.5
574.99475	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57587	0.5
55.01765	0.9
57.03323	0.8
58.00475	1.0
59.01253	4.6
60.99170	1.6
61.98700	1.6
67.01753	1.9
69.03328	20.1
69.16832	4.8
69.17242	1.0
70.03652	0.7
71.01249	2.7
73.02813	3.0
79.01764	1.2
81.03336	0.8
83.01259	2.2
85.02827	2.4
87.00761	1.6
87.04391	6.4
89.02341	0.8
90.55154	0.6
93.03353	5.4
95.04877	1.6
97.02833	100.0
97.06444	1.0
98.03159	2.2
101.02311	4.3
105.03339	1.3
108.02083	0.8
109.02802	0.7
111.00772	20.1
111.04414	0.7
113.02351	1.3
121.02860	4.1
121.06522	1.1
123.00755	2.1
123.04408	14.2
124.04723	0.6
125.02351	0.7
133.02872	0.8
134.03639	0.8
135.04417	1.1
135.08051	1.3
137.02419	0.8
137.09633	14.3
137.41322	0.5
139.11157	1.8
141.01828	8.5
143.07056	1.4
145.31787	0.6
147.04420	1.2
149.02379	1.9
149.05995	6.4
155.10689	83.1
156.11023	4.0
161.02328	1.6
167.07059	6.1
169.12263	4.5
173.04459	2.0
175.03900	1.9
179.03439	1.2
181.08595	3.5
191.05554	9.2
192.05812	0.6
193.04951	4.5
199.09697	47.0
200.10066	2.2
211.04182	1.1
211.06059	10.7
211.13321	0.6
212.06339	0.7
213.11328	4.0
241.10789	16.1
262.18893	0.6
271.11774	1.7
283.11984	1.9
301.12912	8.1
302.12790	0.6
321.84955	0.6
326.51572	0.6
343.14017	1.6
361.15027	7.2
362.15271	0.7
413.18167	2.4
510.50650	0.6
511.21613	7.8
512.21838	0.7
537.19672	0.8
555.20758	47.0
556.21094	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	555.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	4.2
59.11279	0.4
61.98703	4.4
68.88516	0.4
68.99695	0.5
69.03320	2.2
71.00848	1.1
71.01249	2.2
78.01006	0.5
78.95752	0.7
81.03333	0.9
83.01255	0.9
85.02825	1.6
87.00738	0.8
87.04386	2.5
89.00204	2.0
89.02310	1.9
91.01766	1.6
93.03329	0.7
95.01262	1.1
97.02821	0.8
97.06512	0.6
101.02341	1.4
106.00488	4.1
108.02048	1.1
109.02849	1.2
111.00772	1.1
113.02272	0.6
119.03366	0.9
119.04895	0.7
121.02845	46.4
121.06449	0.6
122.03146	0.7
122.06004	0.4
123.00752	3.6
123.04401	1.4
125.02372	1.2
127.00242	1.4
133.06470	1.6
134.03654	4.6
135.04417	0.9
136.01512	0.7
136.98676	1.0
137.02350	1.6
137.09604	1.4
138.03105	3.0
139.00294	0.9
139.03951	1.3
145.73256	0.5
148.01546	4.3
149.02359	1.4
149.05975	3.6
150.03125	2.0
151.03883	1.9
151.07556	0.7
152.04738	2.8
153.01804	0.9
153.05482	38.1
154.02664	0.8
154.05844	1.6
155.10690	6.6
163.03914	6.8
165.01840	1.0
165.05455	2.5
166.06242	1.5
166.99786	1.8
167.03351	0.7
167.07037	3.2
168.53702	0.5
177.05519	1.4
179.03355	0.8
179.10696	0.8
181.04970	7.8
181.08636	1.5
182.02130	6.2
187.03899	0.9
191.05510	2.3
193.04993	0.5
195.04739	0.7
195.06541	2.7
196.03786	0.5
196.07198	0.4
197.04485	100.0
198.04793	3.4
199.09702	7.8
211.03998	0.8
211.06047	14.3
212.04608	0.6
212.06421	0.7
213.05531	0.5
225.05501	1.8
225.14871	0.4
226.06313	0.7
227.07062	0.9
240.04250	5.4
240.07840	1.9
241.04994	2.2
241.10738	1.7
253.10754	0.7
255.06602	12.4
255.09325	0.7
255.12381	0.9
256.07254	3.5
270.08972	12.0
271.09723	7.6
283.11896	3.6
283.19037	0.7
301.10764	9.7
302.11029	0.8
313.10971	0.7
327.21725	0.7
329.10199	0.8
341.10358	0.9
343.14063	1.8
373.13205	0.5
493.20782	1.2
511.21713	1.7
537.20074	0.8
555.19672	0.7
555.26324	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.208
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23384	0.7
58.12288	0.8
59.01251	4.0
61.98690	5.3
69.03343	0.9
69.28603	8.0
71.01251	1.6
73.02815	1.4
73.93594	0.8
74.63041	0.9
78.95770	4.3
83.01247	0.9
85.02818	2.0
87.04379	4.1
88.98673	4.1
95.01256	1.5
96.95890	5.2
96.96844	4.5
97.02834	1.1
98.02382	2.3
101.02312	1.4
107.04948	1.5
108.02032	2.4
109.02831	5.0
120.02057	5.5
121.02875	1.1
122.06013	2.5
123.00819	1.5
123.04388	4.3
125.02261	1.1
134.03619	1.5
135.04448	1.3
136.01553	2.7
137.09622	2.3
138.03137	2.3
148.01573	40.7
149.02261	3.8
150.03108	3.3
151.03920	2.6
152.07082	2.9
153.05487	43.2
153.07434	1.9
154.05800	2.2
155.10687	14.9
156.10970	0.9
163.03926	46.2
164.04405	2.7
165.01915	1.5
165.05490	1.7
166.02620	6.7
167.07024	1.1
178.02562	2.5
179.03346	1.6
181.04982	57.9
181.08443	2.2
182.05371	2.9
191.05530	3.0
193.04936	3.5
195.06703	1.3
195.10190	1.2
196.03683	3.4
196.07291	1.0
198.61734	1.0
199.09703	22.1
200.09900	0.9
209.06766	0.9
211.06061	100.0
212.06378	4.6
218.72572	0.9
241.10764	7.1
251.20490	1.0
253.10774	2.0
283.11838	10.9
343.14023	10.0
344.14532	0.9
419.53448	1.1
447.17526	1.2
465.26544	1.6
470.04651	1.1
479.20367	1.8
523.19678	1.4
555.20984	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	554.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	22.0
61.75755	0.2
69.45739	0.8
69.46149	1.3
70.93029	0.3
71.01253	0.9
73.02820	0.3
78.95781	17.5
78.98454	0.7
79.95606	1.2
80.96391	9.8
82.98945	0.2
83.81993	0.3
85.02823	0.4
87.00777	0.4
88.91808	0.3
94.97959	2.4
96.95876	0.3
101.02328	0.4
101.17039	0.3
106.97944	0.4
107.13418	0.2
122.97478	0.6
125.02377	0.5
134.97501	0.8
148.99048	0.9
152.98486	0.9
152.99585	2.3
164.98520	1.8
168.04250	2.6
206.99590	0.5
224.06892	7.7
225.00714	2.8
225.07173	0.4
242.07935	1.7
255.23271	100.0
256.23602	8.2
299.04422	0.5
480.30954	55.3
481.31281	7.9
482.53778	0.3
554.26807	1.3
555.28412	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	554.346
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11360	0.2
55.70924	0.1
59.01249	18.1
60.01572	0.3
61.98690	0.6
63.84750	0.2
71.01255	0.2
78.95779	5.2
79.95585	0.3
80.96389	1.5
82.95992	0.2
94.97935	0.3
129.05870	0.1
152.99481	1.1
164.98560	0.3
168.04222	1.2
191.05557	0.3
224.06854	0.8
225.00876	0.3
242.07965	2.1
242.10156	0.3
243.08340	0.1
255.23260	100.0
256.23608	8.6
472.35083	0.4
480.30933	27.3
481.31314	4.2
554.27112	2.0
554.35266	0.3
555.27228	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18514	0.2
52.21231	0.2
56.75849	0.2
59.01239	0.7
61.98702	100.0
69.28639	2.2
71.01259	0.3
73.02815	0.3
83.01274	0.5
89.02332	0.3
93.03342	0.3
94.10059	0.3
98.19881	0.6
100.08758	0.2
101.02370	0.2
103.40919	0.2
135.04404	0.3
149.02374	0.5
149.38683	0.2
152.07100	0.4
165.05475	0.3
173.04562	0.2
178.11737	0.2
181.04922	0.3
187.88881	0.2
191.05661	0.9
192.05902	0.3
193.05067	0.2
194.09679	0.3
196.07266	0.2
213.90247	0.2
250.89771	0.2
323.08551	0.2
344.15344	0.3
357.13657	0.8
446.17139	0.5
522.18658	0.5
536.31641	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	1.6
61.98701	3.4
70.79591	0.7
74.13119	0.2
78.95776	5.5
80.96381	0.9
91.24545	0.2
109.85259	0.4
125.63287	0.2
152.99500	1.2
168.04221	1.4
175.99730	0.2
184.77966	0.2
224.06914	1.0
225.00832	0.4
242.07961	2.4
258.17474	0.3
261.21991	0.4
265.37671	0.3
277.21735	0.4
279.23267	100.0
280.23593	9.4
498.67407	0.3
504.30939	30.2
505.31284	5.2
554.27069	1.5
555.26630	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45770	0.7
59.01237	1.9
60.17817	0.6
61.98701	10.3
71.01249	1.0
71.50803	1.0
78.95775	25.1
78.98455	0.7
79.95594	1.3
80.96394	8.6
82.95940	1.1
91.55446	0.6
92.77438	0.6
94.97955	1.8
134.97493	0.9
148.99002	0.9
152.98424	0.7
152.99530	4.2
164.98438	0.9
168.04243	4.2
191.05530	1.1
209.56721	0.7
215.90654	0.6
224.06874	9.1
225.00642	1.7
242.07835	2.9
266.73279	0.6
279.23285	100.0
280.23605	10.2
329.47916	0.7
472.35333	1.5
504.30963	72.4
505.31354	11.7
554.27203	15.8
554.35272	1.4
555.26782	2.7
555.35687	0.6
579.14893	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.115
Annotation	Unknow
Peak:m/z	Relative Intensity
57.12408	0.1
59.01256	0.5
61.98701	100.0
62.98413	0.2
67.01768	0.1
68.99705	0.1
69.03320	0.2
71.01268	0.3
71.51281	0.2
75.00771	0.2
85.02834	0.6
87.00755	0.2
93.03324	1.0
93.03741	0.1
94.03708	0.2
95.01276	0.2
97.44870	0.1
101.02354	0.3
106.54578	0.1
107.04934	0.1
108.02066	0.2
109.02841	0.2
110.42522	0.1
111.04375	0.1
113.02386	0.1
119.04934	0.3
121.02846	0.3
122.03725	0.2
123.04411	0.3
133.02870	0.5
134.03644	0.3
135.04436	0.6
136.01614	0.3
136.04730	0.1
137.02371	0.3
146.03625	0.2
147.04427	0.3
149.02332	0.5
149.05969	0.2
150.03136	1.8
151.03920	0.4
152.01073	0.1
153.01878	0.1
155.03403	0.4
158.03554	0.1
159.04451	0.2
160.05225	0.3
160.33629	0.1
161.02332	0.4
161.06024	0.2
163.03931	0.3
164.04710	0.5
165.05479	1.2
173.04510	0.6
173.05887	0.1
174.04707	0.2
175.07521	0.3
176.04765	0.1
177.05490	0.3
178.02513	0.2
179.03445	0.2
179.07094	0.2
181.04881	0.1
191.05537	3.4
192.05894	0.5
195.06517	0.7
195.89014	0.1
287.07474	0.1
289.50705	0.1
300.13083	0.1
314.11218	0.1
315.04507	0.1
329.06671	0.1
329.13943	0.8
330.07104	0.3
331.07138	0.3
332.07593	0.3
343.11868	0.2
352.07935	0.2
447.18268	0.2
477.19177	2.4
524.20135	0.2
525.20935	0.3
535.18695	0.2
536.18610	0.4
554.23950	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	2.1
57.95285	1.9
59.01239	5.9
61.98707	3.8
63.37562	1.5
69.03345	2.3
70.02584	3.5
70.03008	6.2
71.01251	3.6
78.95772	15.1
80.02547	2.9
81.03310	3.8
83.04880	6.8
85.02821	3.6
85.19096	1.4
86.50523	1.7
88.27574	1.5
93.03325	5.3
95.04893	3.6
96.95901	1.8
97.02831	2.5
97.06458	3.1
109.06431	2.1
120.84817	1.6
123.04435	1.9
123.08044	2.4
125.05948	2.1
125.09608	9.6
127.11185	5.6
130.29381	1.5
132.63350	1.7
134.06653	1.5
135.08057	5.4
137.09607	2.0
141.05472	3.7
152.99504	11.5
153.09099	7.6
155.10672	2.2
163.11177	11.2
165.09134	2.3
165.12761	4.4
171.10214	17.3
179.10713	1.8
185.11708	5.5
191.05524	19.9
191.14275	8.2
197.11778	3.5
201.11253	63.4
202.11618	3.6
207.10219	4.0
209.11763	92.8
210.12062	5.0
211.13307	2.2
225.11237	4.6
227.12828	20.1
234.65723	1.8
242.99986	1.7
245.13808	2.8
245.19109	14.1
246.19347	1.7
247.99466	1.8
271.17017	1.8
284.66702	1.7
289.18079	63.4
290.18286	8.4
293.21307	2.4
307.19141	100.0
308.19592	10.5
309.20456	2.0
325.20139	32.1
325.23901	9.9
326.20389	4.4
326.24094	3.3
491.29968	2.6
509.30945	2.9
517.31525	3.7
535.33087	5.0
553.27356	7.5
553.34723	3.0
553.76190	2.4
570.96179	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	552.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	17.6
63.87862	0.4
71.27844	0.4
71.50239	0.4
78.95776	19.5
92.67149	0.5
107.10149	0.5
125.50960	0.5
152.99490	4.0
168.04189	3.1
186.47586	0.5
191.05475	1.0
209.11873	0.6
224.06888	6.4
224.09018	0.8
225.07143	0.7
242.07965	3.8
243.12334	0.8
253.21712	100.0
254.22057	6.5
277.21716	47.6
278.22073	5.5
288.67899	0.5
478.29379	25.6
479.29562	2.8
502.29422	35.1
503.29767	5.8
528.32751	0.5
553.33282	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3304
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06800	0.3
56.96928	0.3
58.23137	0.3
59.01248	15.1
61.27684	0.3
61.98697	0.4
70.06661	1.2
70.07067	0.7
78.95774	11.2
88.28648	0.3
96.96870	0.5
146.03828	0.3
152.99524	2.2
168.04214	2.1
191.05525	0.6
197.11743	0.3
209.11719	1.0
224.06824	2.8
225.11206	0.4
231.40933	0.3
242.07933	3.1
243.12245	0.3
253.21695	100.0
254.22044	8.7
277.21704	17.9
278.22012	1.5
402.62704	0.4
478.29364	26.7
479.29645	3.2
502.29395	15.7
503.29971	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	552.3306
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81695	0.2
57.75072	0.2
59.01247	16.3
59.20452	0.3
61.98713	1.1
62.08326	0.2
63.77318	0.2
65.04868	0.2
67.26921	0.2
69.34220	0.9
69.34646	1.0
70.90626	0.2
73.74397	0.2
76.03239	0.2
78.95772	6.2
95.78510	0.2
152.99507	1.3
168.04196	1.5
191.05580	0.4
209.11824	0.3
224.06854	0.8
242.07938	2.8
243.12332	0.3
248.18980	0.2
253.21692	100.0
254.22037	8.1
277.21689	0.9
278.22189	0.3
323.46674	0.3
478.29340	27.9
479.29623	3.5
481.73697	0.3
502.29227	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	60.1
69.03324	38.6
70.81538	13.1
71.01254	39.2
85.02847	6.0
89.02316	39.2
93.03341	12.8
97.02828	61.4
101.02328	18.1
105.03305	6.0
113.02328	8.5
114.67036	4.2
119.03413	15.4
123.04399	11.2
136.09888	4.3
149.05988	18.2
167.07066	10.4
179.05544	7.0
193.04950	50.4
259.45032	4.0
291.80927	4.5
321.25919	4.4
373.11386	100.0
374.11670	9.6
421.69403	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	553.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19484	1.2
59.01246	8.7
61.98699	16.8
67.01754	6.2
69.03330	2.0
71.01247	7.8
72.99196	1.6
75.00735	3.6
76.73508	1.3
78.95782	2.6
81.03333	2.0
85.02820	8.0
85.91639	1.2
87.00757	6.7
87.63557	1.2
88.98662	1.8
89.02284	2.2
93.02770	1.9
93.03339	27.8
94.94190	1.4
95.01270	2.0
95.04884	1.8
101.02306	4.1
108.02058	3.7
109.02849	5.1
111.04386	4.1
121.02856	14.3
122.03664	13.5
123.04398	3.3
124.01609	2.1
127.03923	3.8
132.02042	3.5
133.02847	6.9
134.03671	6.9
135.04427	13.7
136.01553	7.1
137.02359	9.2
145.02913	1.7
146.03636	6.0
147.04419	2.5
148.84393	1.6
149.02342	63.3
150.03131	95.3
151.03912	10.7
152.99512	1.6
159.04434	2.8
160.01584	4.8
161.02325	4.9
163.03987	6.7
164.04697	20.0
165.05478	84.9
166.05803	3.4
170.34854	1.5
173.04485	11.8
174.03117	1.8
175.03935	4.1
176.04672	2.4
177.01846	5.0
177.05504	6.9
178.02632	2.8
179.03410	4.6
179.07089	8.6
180.04167	5.8
183.10229	1.6
187.03996	1.7
188.70474	1.3
191.05536	87.3
192.05806	3.0
195.06567	42.8
196.06929	3.3
204.04216	1.7
207.06609	7.3
219.06607	3.6
222.05443	1.5
224.06834	2.2
225.05411	1.4
237.07619	2.6
239.07159	1.9
240.04231	3.7
251.06978	1.9
263.07144	2.4
265.08768	1.6
267.06570	5.0
267.10147	2.4
269.08289	3.0
277.05182	1.6
277.08664	4.6
279.06763	2.2
281.08273	2.7
281.11688	1.7
283.06250	2.6
283.09531	1.7
293.08047	1.8
294.08926	2.2
295.06073	8.0
295.09705	6.9
296.10333	1.9
297.07718	5.4
298.08353	5.5
299.12830	5.3
309.07730	8.0
309.11139	2.3
310.08392	6.5
312.09985	3.9
313.10825	10.2
323.09100	2.5
324.10004	5.3
325.10764	11.6
327.12332	18.2
339.12332	13.9
343.11813	11.3
344.12045	2.6
351.07291	3.0
370.08920	1.5
373.12769	4.9
427.11838	1.6
429.13483	1.4
431.14822	3.7
442.13971	2.4
443.14954	1.7
457.16443	5.7
460.15198	2.9
475.17694	20.4
476.18024	2.7
487.17474	5.6
490.16489	2.3
505.18701	100.0
506.19003	16.2
517.18414	2.5
530.10760	1.5
535.18384	17.7
536.18213	2.2
553.19904	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	551.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	0.7
59.01243	1.7
61.98690	1.9
69.03300	1.1
70.82171	1.1
71.01243	2.0
71.04880	2.2
75.89400	0.5
78.95765	2.0
80.02547	0.8
81.03323	1.0
82.42856	0.6
82.95955	1.0
83.04881	0.9
84.02032	1.0
85.02821	1.0
92.32043	0.8
93.03333	0.8
95.04889	1.5
97.02835	3.9
97.06468	2.3
99.00745	9.1
109.02829	1.6
109.06467	2.3
109.63497	0.5
110.03629	0.8
111.04401	0.5
115.07519	0.6
116.35032	0.5
121.02818	0.6
123.04309	0.5
123.08028	2.2
125.09593	8.1
127.07543	3.1
135.04417	0.7
135.08041	1.2
139.07510	1.0
141.09164	1.3
142.02599	1.5
147.04446	0.9
152.99478	0.7
155.10704	1.1
155.14462	0.5
159.04366	1.1
161.09584	0.5
163.11197	8.4
165.12674	0.8
171.10156	2.0
179.10641	0.8
181.12257	13.8
182.12645	0.7
185.11755	6.7
187.09636	2.0
191.05522	2.0
191.10738	0.6
191.14307	1.4
197.11745	5.1
199.13330	7.3
201.11269	1.0
207.10197	27.2
208.10568	1.4
209.11768	20.6
210.12103	0.9
211.13345	1.0
219.13771	0.9
221.11729	0.9
223.13403	1.2
225.11266	41.9
226.11568	2.3
237.11240	0.7
238.12109	1.3
243.12338	100.0
244.12675	5.8
245.19064	2.3
289.18079	8.0
290.18173	0.7
305.17523	0.7
307.19125	41.1
308.19366	4.1
325.20163	21.5
326.20486	1.3
344.42087	0.6
365.23190	1.5
407.24454	1.2
409.22131	0.7
425.25693	2.8
426.31583	0.6
489.32083	0.7
507.32788	0.9
515.29913	1.3
533.31140	5.4
551.24066	2.8
551.32159	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02071	1.9
59.01255	12.2
60.99188	9.4
61.39501	2.0
64.33260	2.0
69.34613	5.6
69.35026	11.7
71.01247	5.4
85.02822	2.7
87.00752	3.1
88.86362	1.9
88.98677	100.0
89.02314	6.8
93.03324	7.3
101.02310	3.8
109.02855	2.1
113.02349	2.8
119.04931	4.4
125.02344	2.6
135.04387	6.4
163.03864	6.0
173.04332	2.8
179.03407	3.8
191.05505	18.5
195.06563	1.7
221.04787	1.8
222.08586	2.3
257.08066	4.9
329.14053	4.4
339.12247	6.6
404.43997	2.2
472.03329	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	551.323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28185	0.4
53.42971	0.4
57.03304	1.2
59.01238	1.3
61.98691	1.5
69.03326	0.4
69.87781	1.9
71.01244	0.7
71.04886	1.3
78.95779	3.4
80.96323	0.5
82.95952	0.6
83.04890	1.2
95.04921	0.7
97.02831	4.0
97.06450	1.4
99.00764	10.6
109.06483	1.6
110.03619	0.7
121.02841	0.6
123.04410	0.6
123.08007	1.0
125.09628	5.3
127.11208	0.4
135.04387	0.8
135.08084	1.0
135.44992	0.5
136.05215	0.9
137.09622	0.7
141.05492	0.5
141.09056	0.5
142.02594	1.5
149.65599	0.4
152.99512	3.1
153.09126	1.1
153.12740	0.7
154.99930	0.7
155.14378	0.8
160.01579	0.5
161.02344	1.0
161.09624	0.6
163.11183	6.0
164.11470	0.5
171.10129	2.7
177.01793	0.5
179.10732	0.7
179.58186	0.5
181.12270	12.0
185.11801	1.9
191.05563	1.1
191.14351	1.3
197.11693	0.8
199.13348	7.2
200.13678	0.6
207.10207	24.8
208.10576	1.6
209.11774	2.1
211.13425	0.5
225.11279	34.4
226.11620	2.3
227.12730	1.3
243.12352	100.0
244.12650	5.7
245.19086	3.5
289.18100	13.4
290.18509	1.4
307.19113	17.8
308.19522	1.4
325.20187	6.0
347.95090	0.5
515.30200	1.0
533.31293	1.7
551.24005	2.3
551.32178	3.8
552.24744	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	1.4
58.00466	3.3
59.01252	57.5
61.98716	4.9
67.01770	4.6
68.99697	1.6
69.03340	1.7
69.29856	2.8
69.30270	6.5
71.01258	39.4
72.99194	3.8
73.02833	3.4
75.00748	2.3
81.03331	1.5
83.01297	1.6
83.04920	1.9
85.02830	15.4
87.00748	11.4
89.02320	56.0
93.03338	26.3
95.01295	3.5
95.04821	0.9
95.17014	1.0
95.80237	0.9
97.02827	4.3
98.20627	2.1
99.00757	2.7
99.04382	1.3
101.02332	22.4
105.03321	1.7
106.75472	1.0
108.02071	2.1
109.02832	3.0
110.81121	0.9
111.04403	4.3
112.67480	1.0
113.02326	17.9
119.03391	22.1
119.04865	1.4
121.02847	3.1
122.03625	1.3
123.04413	2.6
124.01539	3.3
125.02340	1.7
127.03908	2.6
129.01889	1.9
131.03410	2.8
133.02837	10.1
134.03642	5.5
135.04427	27.0
137.02380	3.3
137.48051	1.0
139.03893	1.4
143.03406	3.5
146.03632	1.5
147.81316	1.0
149.04509	5.3
150.03130	2.2
151.03928	5.1
152.92317	1.0
155.03371	2.1
159.04413	5.8
160.01585	2.6
161.02365	3.1
161.04482	2.2
163.03920	2.5
165.05479	1.0
166.02596	1.1
167.03516	1.4
173.04515	14.7
173.05951	1.4
175.03915	4.2
177.01891	5.0
177.05444	1.7
178.02625	2.8
179.03436	6.8
179.05562	8.7
180.03960	1.3
181.04979	0.9
185.06017	2.3
187.03967	5.7
189.05482	1.4
190.06323	2.0
191.05548	100.0
192.05904	4.1
195.06650	1.1
202.06296	1.4
205.04951	3.2
211.07631	1.0
215.05557	1.6
220.07370	4.2
229.04977	1.8
235.09802	2.2
239.07074	2.9
239.12762	1.3
256.07230	1.2
256.78284	1.0
265.05191	4.9
283.06131	3.9
283.09644	2.3
307.08221	1.6
308.09119	3.2
309.07449	2.3
311.09290	4.6
315.12372	1.8
326.11789	1.3
327.08752	7.5
337.08319	1.1
341.10181	1.4
341.13934	2.1
351.07285	7.5
352.07767	4.3
359.11304	3.6
359.15070	3.9
371.10538	1.6
371.14972	19.1
372.15451	2.2
377.12631	1.2
389.11884	1.8
421.11234	1.9
457.11334	1.4
519.15167	6.1
520.15692	1.4
551.16791	2.8
551.23364	3.7
551.31213	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	551.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
57.70288	0.6
57.85023	0.6
59.01250	8.1
60.99176	16.3
61.98700	7.9
67.01749	0.6
68.99683	9.8
69.03337	0.6
69.99994	0.8
70.51820	0.7
71.01253	9.7
71.51639	0.8
72.99186	1.5
73.02814	2.2
75.00729	1.4
78.05571	0.6
83.01278	0.8
85.02827	2.6
87.00764	3.3
88.00286	2.9
88.98678	100.0
89.02312	19.5
89.99021	1.2
90.02653	1.2
93.03322	3.8
95.04894	0.7
97.06480	0.9
99.00756	2.2
101.02322	24.4
102.02652	3.3
103.02806	0.7
108.02049	0.8
109.02877	0.7
111.04411	0.7
113.02319	2.3
119.03354	1.3
119.04867	1.5
127.03868	0.7
131.03391	0.9
134.03648	0.9
135.04381	3.8
137.02359	0.9
149.02345	0.8
149.04520	1.2
150.03079	0.8
161.02403	0.6
161.04491	1.4
163.03906	1.1
165.05496	1.7
173.04468	6.7
177.01891	0.8
179.03391	1.2
191.05537	9.0
195.06508	0.9
215.09142	0.6
257.08078	0.9
270.60883	0.6
284.03241	7.3
285.03723	0.7
299.05615	9.2
300.06067	1.4
337.11252	0.7
344.15070	2.4
345.15381	3.4
389.14548	3.5
389.73642	0.6
417.24768	1.3
418.25186	1.5
419.25510	0.8
550.29358	5.0
551.22198	1.0
551.29858	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	551.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	1.0
58.02805	0.4
59.01246	7.1
60.93646	0.4
60.99168	0.6
61.98700	1.8
67.01752	0.5
69.03337	0.9
71.01244	3.4
71.51762	0.6
72.99183	0.4
73.02823	3.8
78.95763	0.4
83.01263	4.3
85.02814	2.6
87.00741	1.2
87.04395	0.6
89.02319	1.1
93.03326	3.9
99.00803	0.5
99.04392	0.5
101.02328	3.2
108.02037	0.8
109.02885	0.5
111.04430	0.9
113.02307	0.7
115.91959	0.8
117.91834	0.5
119.04918	100.0
120.05246	4.4
121.02832	0.6
122.03650	0.7
123.04382	0.6
125.02300	0.6
129.74812	0.4
133.02875	0.4
135.04407	1.3
137.09628	0.5
139.11176	4.5
149.02365	1.5
150.03127	3.9
153.05391	0.5
161.02383	0.7
163.03926	53.2
164.04225	3.0
165.05486	3.0
165.09105	0.7
169.12277	1.2
173.04506	1.6
175.03941	0.9
176.13007	0.4
179.03427	1.3
179.10727	0.8
181.12302	1.5
183.10196	7.8
191.05551	9.6
192.05852	1.0
195.06529	1.1
197.11761	1.1
222.05183	0.5
225.11290	7.7
231.10144	0.5
243.12331	5.6
244.12648	0.5
249.11349	0.7
267.12274	0.9
279.06573	0.5
285.13480	0.7
291.12424	1.3
293.08289	0.6
309.13522	0.7
325.10724	1.0
327.14377	2.4
337.10791	1.3
361.30112	0.5
387.16541	7.7
388.17081	0.4
445.22513	0.5
473.16141	1.1
503.17142	3.0
533.20337	1.2
551.21362	27.9
551.34680	1.5
552.21576	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	551.0983
Annotation	Neocryptomerin
Peak:m/z	Relative Intensity
51.45162	0.7
54.84071	0.9
59.01234	2.2
61.98688	1.2
63.02259	3.7
65.00198	2.8
68.41585	0.8
71.51108	1.4
78.95747	6.8
81.53679	0.7
83.01231	0.9
93.03337	2.6
98.49520	0.8
101.02284	1.3
107.01275	3.2
109.02805	0.9
133.02824	1.1
134.03629	0.8
135.04419	3.1
149.02383	1.1
151.00262	4.4
152.99467	5.1
158.03629	2.8
173.05978	6.4
179.03391	2.6
179.04913	1.6
191.05528	3.9
197.11880	1.1
217.04965	1.6
221.05963	1.6
223.03845	1.9
265.05136	1.0
267.06738	0.9
288.04343	1.1
293.21292	0.8
305.04474	5.4
307.06125	9.5
323.22275	2.6
325.23755	1.5
331.06097	29.0
332.06427	3.3
333.03983	6.9
347.05493	1.1
357.04019	1.3
375.05063	100.0
376.05475	10.4
389.06946	1.1
551.09821	88.1
551.17822	4.4
552.10223	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	549.3201
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55050	0.4
56.39856	0.4
57.03321	0.7
58.33786	0.5
59.01251	24.4
60.01578	0.5
61.98708	1.0
62.79070	0.4
69.03345	0.5
70.61861	1.5
71.01221	0.6
78.95776	8.2
80.02532	0.6
83.04908	0.5
85.02837	0.5
93.03337	3.6
95.04893	1.1
95.96061	0.6
96.96841	0.9
97.06496	1.2
113.09602	2.0
119.04928	0.6
120.05701	0.8
121.02851	1.7
125.09595	0.7
127.33014	0.5
135.04402	0.5
135.07996	0.8
137.02258	0.5
147.08040	1.4
148.08870	3.2
149.09628	1.6
151.11183	2.0
152.99503	1.8
154.68037	0.5
161.09737	0.5
163.11176	5.9
164.11542	0.5
165.01900	1.0
165.12766	29.9
166.13092	2.1
167.10661	1.0
168.04233	1.7
177.12839	1.1
179.10632	0.6
179.14284	0.6
181.12219	0.5
187.03731	1.0
189.12775	3.7
191.05553	1.9
191.14343	13.2
192.14673	1.0
195.13860	6.0
205.12228	1.7
214.85451	0.5
216.07611	4.6
217.15997	0.8
219.17502	12.5
223.13362	14.5
224.06853	1.5
227.14362	1.3
242.07985	2.1
245.15417	5.3
263.16516	100.0
264.16858	8.6
267.13635	0.7
285.14719	9.9
286.15027	0.9
293.21234	16.2
295.22791	3.2
325.23880	0.6
408.88690	0.5
420.21442	1.6
448.21069	8.2
457.40985	0.6
549.31982	47.6
550.32263	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	549.3644
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.0
56.68581	0.3
57.03326	1.8
58.00470	1.1
59.01249	100.0
60.01596	1.2
61.98699	1.4
67.01778	0.5
68.23502	0.4
68.99696	0.4
69.03334	1.2
69.18572	3.5
71.01252	29.5
71.04901	0.5
72.01581	0.5
72.99195	1.0
73.02817	5.3
75.00755	0.4
78.95791	0.8
83.01257	4.6
85.02821	12.1
86.03192	0.4
87.00757	2.7
87.04402	0.8
89.02316	11.6
93.03329	1.7
95.01257	2.8
97.02831	1.0
99.00761	2.6
101.02323	17.3
101.05964	4.7
101.42155	0.3
102.02645	0.3
111.00749	0.9
112.01582	0.5
113.02328	18.8
114.02649	0.5
119.03387	3.6
124.01593	0.9
125.02344	3.2
129.01848	0.5
134.03639	0.4
135.04399	1.5
137.02374	0.4
142.02615	0.5
143.03403	3.9
152.99557	1.1
159.02977	0.5
161.02451	0.4
161.04463	7.5
173.04459	0.6
179.03438	0.9
179.05522	1.8
191.05576	3.0
211.20679	0.9
215.07085	0.4
239.20117	1.6
253.21680	0.7
254.06526	0.4
281.24811	0.8
283.22705	0.8
284.03186	0.4
285.24405	1.6
299.25934	0.8
327.29074	1.1
329.26868	1.5
343.28577	1.2
345.30090	12.8
346.30325	1.6
387.26608	0.4
387.31128	1.5
471.33249	0.5
489.34317	46.5
490.34656	7.4
507.35361	32.0
508.35657	5.0
549.21967	0.6
549.36298	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.0984
Annotation	Cryptomerin A
Peak:m/z	Relative Intensity
52.88352	0.2
56.37123	0.2
59.01238	0.2
61.98702	0.3
63.02262	2.0
65.00190	2.6
69.78826	0.3
69.79224	0.8
78.11111	0.2
78.95780	0.2
83.01261	0.8
87.61970	0.2
107.01264	3.7
109.06466	0.2
123.00784	0.2
128.06277	0.2
133.02831	0.3
142.24486	0.2
147.00800	0.2
148.01521	0.2
149.02385	0.4
149.99469	0.5
151.00255	4.5
151.01367	0.3
152.00569	0.3
159.04465	0.2
167.05006	0.3
169.01343	0.2
171.10219	0.3
182.03621	0.4
183.04431	1.1
185.02281	0.2
187.03830	0.3
191.05544	0.5
195.04469	0.3
199.03964	0.4
199.13315	0.7
207.10199	0.8
209.11772	0.6
210.03273	0.3
211.03920	1.4
212.04329	0.2
225.11256	0.8
226.02660	0.3
227.03433	1.6
239.03484	1.4
240.04184	0.3
243.12427	0.6
252.04286	0.6
255.02960	29.2
256.03397	3.2
267.02866	0.5
268.03778	2.0
269.04596	1.8
282.01715	0.5
283.02509	4.8
284.03210	2.1
285.03989	1.3
286.04401	0.2
289.17978	0.3
307.19104	1.0
325.20215	0.5
359.05634	0.2
367.05893	0.3
379.09952	0.2
383.05618	1.8
384.06110	0.6
385.07056	1.5
401.06625	0.7
402.07376	0.3
409.07062	0.2
411.08902	0.3
417.09534	0.9
423.08752	0.6
425.06888	0.4
427.04672	0.5
428.05511	0.5
435.08707	0.5
439.08145	0.5
440.09052	0.4
441.09698	0.6
443.07639	0.5
447.08621	0.2
449.06598	0.4
450.07324	0.4
451.08142	0.6
455.11386	0.3
461.08847	0.7
463.08246	0.6
464.09015	0.4
465.09686	0.5
467.07715	2.1
468.08405	5.4
469.08990	0.7
479.07440	0.3
480.07980	0.3
483.10843	4.6
484.11240	0.7
491.07642	0.8
492.08344	1.0
507.11581	1.2
508.07617	0.4
509.08533	0.3
519.07184	1.5
528.58643	0.2
534.98370	0.3
535.06702	11.7
536.07446	28.0
537.07806	5.0
551.09814	100.0
552.10168	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	549.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	4.1
57.03321	3.5
58.00470	2.6
59.01249	51.7
61.98704	1.1
68.99687	1.0
69.03319	2.8
71.01250	69.0
72.01600	1.1
72.99175	3.6
73.02817	19.7
75.00738	1.5
77.75607	0.4
81.03317	0.7
81.92970	0.4
83.01254	6.7
85.02822	24.7
86.02355	0.6
87.00751	12.9
87.04388	1.9
88.00286	2.2
89.02315	43.4
90.02658	0.7
93.03300	0.6
95.01263	3.9
97.02840	3.2
99.00094	0.6
99.00752	11.8
99.04391	0.8
101.02319	37.9
102.02678	0.9
102.48860	0.4
111.00760	2.6
113.02326	20.0
114.02674	0.6
115.03887	1.5
119.03389	4.7
119.04887	1.4
121.02869	0.5
125.02335	5.4
126.60258	0.4
127.03835	0.6
129.01865	1.0
131.03380	11.8
137.02313	0.5
138.24266	0.5
143.03409	3.3
149.04448	13.2
149.05655	0.8
159.02916	3.2
161.04465	20.8
162.04643	0.4
177.01886	0.5
179.05507	1.9
191.05530	6.8
195.06653	0.6
205.03503	0.5
215.05609	0.5
229.58598	0.6
233.06627	3.7
251.07520	0.8
255.19604	1.5
284.03253	1.7
293.08835	3.1
299.05661	2.3
357.11017	0.5
387.14780	0.7
399.23935	1.7
417.24933	44.8
418.25235	6.1
549.29138	100.0
550.29449	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	549.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83795	0.3
55.01769	0.3
57.03315	1.1
59.01245	0.9
61.98693	0.5
67.01765	0.3
69.03323	3.2
71.01257	0.7
71.04896	2.6
71.50284	0.6
73.02869	0.3
78.95770	0.6
83.04904	0.7
83.32824	0.3
93.03333	0.5
95.04898	0.4
97.02868	0.8
97.06454	0.8
100.80945	0.3
106.04156	0.4
109.02824	0.3
109.06470	0.5
121.02812	0.7
123.04352	0.4
123.08038	1.1
125.09624	2.6
127.07561	0.3
135.08040	0.6
137.09622	0.4
149.09537	0.4
151.11224	1.5
152.99481	0.7
153.09074	0.6
153.12753	2.3
161.09622	2.1
163.11145	0.8
171.10158	0.8
176.05046	0.3
177.05576	0.4
179.10695	7.1
180.11125	0.6
181.08586	0.4
185.11800	1.8
191.05501	0.4
191.14369	0.3
193.08694	0.5
197.11758	59.7
198.12070	3.1
207.10159	0.7
209.11821	1.5
223.09660	1.7
225.11267	0.6
241.10770	100.0
242.11130	6.2
245.19070	0.7
289.18100	2.9
305.17667	0.8
307.19135	3.8
309.20480	0.4
319.19064	0.5
325.20349	2.0
363.18094	1.7
487.30511	1.0
531.29614	1.9
549.30646	7.3
550.31250	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	549.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	5.0
61.98689	1.6
65.70737	0.5
69.03312	1.3
71.01254	6.2
71.09054	1.3
73.02803	1.0
77.39660	0.6
85.02821	2.5
87.00742	2.9
89.02338	4.2
90.68275	0.5
93.03335	2.4
93.68475	0.5
95.01260	0.8
96.95902	0.8
99.00725	0.8
101.02325	3.8
107.04911	0.8
108.02061	1.0
109.02813	1.7
113.02323	2.6
121.02844	3.6
122.03613	1.9
123.00762	1.0
124.01570	0.6
125.02379	0.7
131.03381	0.9
133.02824	0.6
134.03574	0.7
135.04425	1.6
136.01552	27.1
137.02371	4.2
149.04480	1.7
149.05995	0.7
150.99133	1.3
151.00281	12.2
151.03909	44.7
152.01004	0.9
152.04283	1.7
154.02695	0.7
162.03113	0.8
165.01796	0.8
165.05380	0.7
166.02625	37.0
167.03178	2.5
173.04480	1.6
175.07541	0.8
177.01863	1.8
179.03404	0.9
181.04982	40.8
182.05322	2.5
190.06316	0.8
191.03632	1.2
191.05513	6.7
192.05867	0.8
214.25673	0.7
311.10342	0.9
329.10236	1.0
337.08441	0.9
338.25754	0.6
357.09680	8.8
357.13568	0.7
358.09912	1.1
372.12167	6.1
373.12604	1.0
387.14496	100.0
388.14810	11.3
478.57010	0.6
517.14722	1.2
549.16992	1.0
549.26373	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	549.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48866	0.5
57.03312	0.7
59.01250	8.7
61.98701	3.1
67.01755	1.0
68.87110	0.5
68.99679	0.9
69.03336	1.5
71.01254	9.6
71.12868	0.5
71.30589	0.7
71.30935	0.9
72.99199	1.1
73.02822	1.9
83.01275	1.2
83.02385	1.9
84.02041	0.6
85.02832	3.7
87.00750	7.2
88.00280	1.3
89.02322	7.6
93.03346	2.9
95.01274	1.0
95.04877	0.6
95.39092	0.5
97.02834	0.8
99.00764	1.2
99.31432	0.6
101.02316	5.3
102.02646	0.7
108.02068	0.6
109.02827	1.6
111.00782	0.8
113.02332	2.6
115.91944	0.5
117.97189	0.9
119.03394	1.2
119.04881	0.5
121.02833	4.9
122.03616	1.8
123.00782	1.0
123.04422	0.8
125.02338	0.8
126.57309	0.6
131.03412	1.5
133.02812	1.0
134.03664	1.0
135.04399	1.2
136.01564	31.5
137.02377	6.6
142.99739	0.7
143.03375	0.7
149.02312	1.2
149.04474	1.7
149.05975	0.7
150.03059	1.0
151.00273	11.9
151.03914	50.6
152.01088	0.7
152.04463	2.0
153.05394	0.6
154.02556	0.8
157.16328	0.5
159.04436	0.7
160.05154	1.0
161.02296	1.1
161.04448	1.5
161.05827	0.5
162.03122	1.1
163.03925	1.4
165.01810	0.7
166.02629	44.2
167.03197	3.2
173.04483	1.4
175.03909	1.0
175.07561	0.6
176.01048	1.0
177.01862	2.3
177.05444	0.9
179.03384	1.8
179.06987	0.6
181.04977	48.0
182.05357	2.3
189.05452	0.8
189.54059	0.5
190.02596	0.8
190.06285	1.1
191.03513	1.4
191.05536	9.0
191.07169	1.0
192.04161	0.7
203.06990	0.8
205.05095	0.9
205.08896	0.6
207.02882	0.6
207.06528	0.6
213.33720	0.6
219.06516	0.7
257.19067	0.6
298.08417	0.7
311.10278	0.6
313.10858	1.5
315.08984	0.7
327.08673	0.8
329.10147	1.4
337.08377	1.1
341.13730	0.9
357.09750	9.7
357.13669	0.9
358.10327	1.4
369.13586	0.7
372.12161	8.5
373.12677	1.0
378.05975	0.5
387.14514	100.0
388.14853	12.1
473.22864	0.6
549.17096	1.0
549.26331	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	549.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	0.5
60.99166	0.2
61.98695	0.4
69.41654	1.1
77.03831	1.7
77.17662	0.1
78.95772	0.4
82.34563	0.1
93.03340	0.4
94.02325	0.1
96.96786	0.1
98.19676	0.1
108.02110	0.1
121.02840	100.0
122.03172	3.6
131.69087	0.1
137.02335	0.2
147.04381	0.3
152.99507	0.5
165.01837	53.1
166.02168	2.2
180.05699	0.6
181.04916	0.1
181.06497	2.5
191.05554	0.2
197.06026	2.1
198.06296	0.2
207.04465	0.8
207.08051	0.4
223.03958	0.3
224.16255	0.1
225.05531	1.7
257.09705	0.6
258.10034	0.1
269.08197	0.1
285.09116	0.2
295.06000	0.1
301.08765	0.2
301.39291	0.1
311.09155	0.1
313.07095	1.2
329.08243	0.2
357.06049	0.9
373.10687	0.2
383.07785	0.6
417.09784	2.0
418.10303	0.3
481.29773	0.1
505.11469	1.6
506.11337	0.4
547.94006	0.1
549.10358	26.1
550.10693	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	549.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	1.4
57.03315	3.9
59.01251	12.4
65.95241	0.9
67.01756	3.6
68.99677	1.8
69.03321	6.8
70.71320	1.1
71.01252	32.1
71.50437	1.9
72.99180	46.1
73.02820	43.5
75.00734	4.2
78.95778	2.3
83.01256	13.4
84.11709	1.0
85.02824	44.4
87.00750	6.9
89.02305	4.6
93.03328	8.6
95.01260	8.5
96.95926	2.7
96.96782	1.1
97.02823	2.1
99.00750	9.6
100.01554	2.0
101.02324	17.5
103.03905	3.0
109.02857	1.8
111.00765	10.8
111.04398	1.9
113.02334	75.6
115.00269	2.7
115.03924	1.5
117.01833	1.6
119.03355	2.7
121.02871	2.5
123.04385	2.6
127.03896	1.3
129.01840	19.4
131.03394	38.2
133.01295	3.2
135.04398	3.2
135.97569	1.3
137.02354	6.1
142.99733	1.7
145.01282	1.5
151.03914	4.2
153.05460	1.8
157.00133	1.3
157.01332	17.7
165.05441	3.1
173.00816	4.6
173.04478	7.0
174.04808	1.2
175.02409	36.0
175.03952	1.8
189.03894	2.8
191.05551	30.8
192.05814	2.8
193.06023	1.4
195.06514	1.9
207.05048	100.0
208.05423	3.9
242.40233	1.1
247.04456	2.0
263.75885	1.1
321.28625	1.0
341.10831	1.4
357.30673	1.4
495.02042	1.2
526.21765	1.3
549.15558	13.3
550.15381	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	548.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77753	0.1
59.01247	1.4
61.98702	100.0
62.98407	0.1
67.01778	0.2
68.99677	0.1
69.03313	0.2
70.83244	0.3
71.01257	0.8
73.02819	0.1
78.95788	0.4
85.02828	0.9
85.03270	0.1
87.00748	0.7
89.02308	0.6
93.03340	1.0
97.06512	0.1
99.92456	0.2
101.02301	0.6
102.02659	0.1
109.02873	0.1
109.42720	0.1
111.04418	0.2
113.02361	0.2
115.91965	1.4
116.92730	0.9
119.03374	0.2
135.04419	0.5
136.01576	0.1
137.02368	0.2
151.03923	0.1
152.99500	0.4
155.03413	0.3
161.02417	0.3
173.04536	0.5
179.03471	0.3
179.05469	0.2
187.07657	0.1
191.05553	3.6
192.05914	0.7
193.06035	0.3
194.06325	0.2
215.07123	0.1
217.07201	0.1
450.14914	0.2
461.19995	0.2
469.07330	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63444	0.4
59.01247	1.3
61.98703	100.0
62.82438	0.4
69.46279	1.0
69.46677	3.6
78.39120	0.4
78.95824	1.1
88.90353	0.4
104.36346	0.5
115.82009	0.5
121.02877	0.8
138.64813	0.5
152.99472	1.6
153.09093	0.5
161.02284	0.5
191.05606	1.3
197.11736	0.5
209.11845	0.6
216.71828	0.5
219.83144	0.5
238.31950	0.5
241.10887	0.7
249.18599	0.7
250.18781	0.7
270.36337	0.5
273.76477	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64103	0.8
57.03325	69.3
58.00466	1.8
59.01250	43.1
59.97552	0.8
63.15567	0.8
67.01764	3.9
68.99684	15.7
69.03323	12.9
69.41742	3.4
69.42171	3.8
71.01254	30.9
72.99183	3.1
73.02821	1.7
75.76597	0.9
83.01244	2.1
83.04916	1.9
85.02812	7.4
87.00770	2.7
89.02315	45.9
93.03344	2.7
95.01277	8.5
95.04919	2.6
96.95882	5.9
97.02805	0.9
97.06467	14.8
99.00717	0.9
99.04383	1.3
101.02326	100.0
102.02675	2.2
113.02334	14.0
119.03389	18.5
121.02849	3.7
123.04414	8.4
123.08052	0.9
127.03905	10.0
131.03397	3.6
135.04391	1.6
137.06029	1.7
139.03909	1.0
143.03445	4.5
149.02382	2.8
149.04462	2.5
149.06032	0.8
153.05505	4.0
155.03404	27.0
156.03757	0.9
159.06548	4.4
161.02374	0.9
161.04443	6.0
163.03896	1.4
163.07562	1.9
165.05493	1.4
173.04501	1.7
175.02463	1.1
175.03871	1.1
176.03323	0.9
177.05504	2.0
179.03377	0.9
179.03757	1.0
179.05531	19.8
179.06990	1.5
181.05020	3.2
191.05545	10.0
195.06491	5.9
203.10562	0.9
207.06366	0.9
209.24576	0.9
213.07695	5.4
217.08702	1.3
225.07576	4.8
235.09659	1.3
253.10760	1.0
265.10773	3.0
283.11880	5.3
297.09921	1.4
305.13824	1.8
319.21115	1.5
349.18674	1.4
387.13138	1.9
413.14496	1.0
445.17178	1.9
515.17548	1.0
547.20117	11.5
548.20789	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	547.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	71.1
58.00459	2.8
58.96165	1.1
59.01250	37.2
61.98724	1.2
67.01761	6.1
68.99686	19.9
69.03327	17.6
69.40628	8.6
71.01251	30.8
72.99181	4.2
73.02845	1.1
75.00748	2.2
76.73705	1.0
78.95751	1.2
81.94047	0.9
83.01271	1.9
83.04896	2.6
85.02828	6.9
87.00770	4.3
89.02319	41.0
93.03321	12.0
95.01270	7.4
95.04903	3.6
96.13508	1.0
96.95891	1.5
97.06478	11.8
101.02323	100.0
102.02683	2.6
103.34499	1.0
105.96793	1.1
109.02853	2.0
111.00809	1.4
111.04421	1.8
113.02330	13.7
115.00307	1.2
119.03380	21.2
121.02833	3.5
121.06512	1.3
121.21613	1.1
123.04417	8.8
123.08021	1.7
127.03911	12.7
131.03403	1.6
135.02890	3.2
135.04427	1.9
137.02310	2.4
137.05977	1.5
143.03368	4.8
147.52750	1.0
149.02406	2.3
149.04533	2.5
151.03934	1.1
153.05431	5.0
155.03410	37.5
155.10689	4.5
156.03795	1.2
159.06522	2.4
161.04480	5.9
163.03905	1.3
163.07600	1.5
173.04449	19.0
177.05652	1.1
179.05544	22.5
179.06982	0.9
181.04958	3.1
191.05560	11.5
195.06564	2.9
199.09721	2.5
213.07620	7.4
225.07643	5.2
235.09705	2.5
253.10909	2.8
265.10886	2.1
283.11868	6.0
305.14069	2.1
306.70422	1.2
311.05853	1.2
323.14993	3.8
361.08728	1.0
373.15176	5.5
387.12720	1.9
413.14273	1.8
426.91708	1.1
429.13849	2.4
445.17090	4.2
485.20502	1.3
547.20660	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	547.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27421	0.5
52.90321	0.4
53.76991	0.5
57.03315	0.7
58.99458	0.5
59.01250	12.7
60.99155	0.6
61.98708	2.7
67.01751	2.3
68.99670	0.6
69.03326	10.0
69.57713	3.2
71.00859	0.5
71.01250	10.1
72.99174	2.3
73.02792	0.9
73.51161	0.4
74.49666	0.5
75.00732	0.7
78.00362	0.5
81.03323	0.9
83.01267	0.8
83.21996	0.4
85.02818	7.3
86.02388	0.5
87.00768	2.8
89.02314	11.0
93.03332	14.3
95.01242	0.5
96.95876	1.2
97.02829	16.9
101.02321	7.6
105.03342	0.7
107.71323	0.5
110.99978	1.1
111.00761	22.3
111.04404	3.1
113.02338	6.3
113.40005	0.5
114.01842	1.4
119.03392	4.3
120.01163	1.1
121.02841	1.2
121.06500	0.8
123.04411	3.3
123.13764	0.5
127.03876	1.5
129.01808	0.6
135.02852	1.1
135.99780	1.4
137.02309	2.0
141.01837	3.6
142.99780	0.7
143.03366	0.9
147.04340	0.5
149.04924	0.6
149.05980	4.5
154.99754	2.6
155.03378	1.8
157.04971	2.4
158.00952	0.5
161.04434	0.6
164.56720	0.5
165.03706	7.8
167.07053	1.2
173.00845	16.6
173.04466	29.9
174.01202	0.7
174.04825	1.2
179.05507	1.3
191.05533	55.3
192.05905	1.7
193.04984	7.3
209.02789	3.2
239.09186	0.9
271.08237	2.0
314.07556	0.5
315.07144	1.1
341.08624	1.4
352.84949	0.5
373.11386	6.4
374.92059	0.6
385.11374	1.8
429.13965	0.6
476.12189	2.1
504.12070	1.1
547.16669	100.0
548.17084	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	547.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84597	0.8
57.03314	1.5
58.00462	0.8
59.01248	20.4
59.19081	0.7
60.99181	1.1
67.01766	4.9
68.75141	0.7
69.03324	17.3
69.30526	5.2
69.30939	1.9
69.42188	0.7
69.63703	0.7
71.01249	13.1
72.99168	1.1
73.02799	0.6
81.03301	1.2
83.04862	1.1
85.02816	9.2
85.66562	0.7
87.00748	4.4
88.63982	0.8
89.02317	11.3
93.03331	26.4
94.03703	0.8
95.01262	1.5
96.95906	1.2
97.02824	23.2
98.19855	1.8
99.04356	0.7
101.02306	6.0
105.03341	1.0
109.02826	1.7
111.00783	1.0
111.04371	5.0
113.02329	3.5
119.03368	3.5
121.02868	1.2
121.06467	1.3
123.04395	3.4
127.03889	2.8
137.02289	4.1
141.01863	4.2
149.04491	1.1
149.05980	5.6
155.03381	2.8
159.10100	0.8
167.07028	2.1
173.04471	54.4
173.16904	0.8
174.04813	1.1
179.05511	1.0
179.10184	0.8
191.05537	73.7
192.05939	2.7
193.04993	7.9
355.10794	1.2
367.10352	3.0
373.11365	6.5
374.11584	0.9
524.37115	0.9
547.16681	100.0
548.17059	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	547.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41234	0.7
58.38530	0.7
58.89087	0.7
59.01246	8.9
59.69366	0.6
60.99170	0.9
62.64578	0.7
66.15553	0.8
67.01765	1.0
69.03324	5.9
71.01245	6.7
72.99181	0.8
77.33567	0.6
81.03325	0.9
83.04905	0.9
85.02823	10.6
87.00763	4.1
89.02311	6.4
93.03330	13.8
95.01276	0.8
97.02832	10.9
101.02338	2.7
108.02171	0.8
111.00714	0.8
111.04387	3.5
111.87257	0.7
113.02324	2.4
119.03382	2.7
123.04446	2.0
127.03893	2.2
133.48456	0.8
137.02333	0.9
137.06860	0.7
141.01823	6.8
149.06004	2.8
155.03412	1.2
166.04059	0.7
173.04459	8.2
179.05519	1.1
191.05545	100.0
192.05908	3.1
193.04974	2.3
333.45743	0.8
341.12427	1.6
367.10526	0.9
373.11398	1.9
405.59323	0.7
547.16687	85.2
548.16974	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	545.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	0.7
59.01247	34.1
60.99174	1.4
63.41573	0.5
67.01749	3.1
68.99689	2.8
69.03313	1.6
69.99741	1.2
70.00152	1.8
71.01248	13.9
71.16181	0.5
72.99181	0.9
73.02853	0.7
81.03343	0.9
83.04901	1.2
85.02818	11.6
87.00744	10.9
89.01753	1.1
89.02310	20.9
93.03331	21.4
94.03657	1.2
95.01267	3.3
97.06478	5.8
99.00759	0.6
99.04366	0.8
101.02321	11.7
108.76902	0.5
109.02827	1.0
111.04383	3.7
113.02339	6.3
119.03379	8.5
121.02807	0.5
123.04397	3.8
125.02298	0.7
127.03889	2.5
129.01816	0.5
131.03381	0.8
135.04427	0.9
143.03391	3.0
149.04466	0.7
154.02504	0.6
155.03416	8.0
155.04736	1.1
158.07253	2.7
159.04376	1.1
161.04471	2.2
171.02965	0.9
171.04388	0.8
172.05215	0.7
173.04480	11.4
173.05963	1.2
174.04732	0.7
175.03983	0.7
179.05524	8.9
183.04451	1.6
185.05981	0.7
186.06758	4.9
187.07523	2.3
191.05530	100.0
192.05919	3.8
193.04880	0.5
199.03886	1.2
200.04765	1.2
200.08458	0.5
201.09119	1.1
211.03783	0.8
211.07632	0.8
212.08331	2.1
214.06264	3.4
215.07079	7.3
225.07542	2.6
227.03416	2.3
228.07820	1.3
229.08669	3.3
230.09293	0.7
233.06599	2.0
253.08755	1.0
255.06628	2.3
255.13971	0.7
256.07370	16.0
257.07855	1.6
268.11057	0.6
274.08490	0.6
283.13290	0.6
283.93451	0.6
285.03632	0.6
295.09891	0.8
311.12720	0.8
324.10098	0.9
325.14197	0.8
327.15771	0.9
353.13904	9.1
354.14203	1.4
371.14926	3.4
387.12851	0.7
448.09454	0.8
511.05151	0.6
545.20325	7.4
546.20667	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	545.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81014	0.6
59.01248	15.9
61.98711	0.7
63.54529	0.6
71.01263	3.4
71.06361	1.0
71.06686	0.6
73.02815	1.7
78.95774	2.1
83.04873	0.8
85.02803	2.0
87.00728	1.2
89.02326	3.4
93.03323	3.0
96.95882	2.8
99.58345	0.6
101.02316	4.5
113.02335	1.8
119.03407	1.2
135.04335	0.7
152.99469	1.0
161.04443	1.5
161.56538	0.7
173.04463	2.1
185.27536	0.6
191.05530	9.4
194.02063	0.7
205.19504	0.9
215.07086	1.4
235.08218	1.8
249.18571	100.0
250.18906	8.7
253.09227	17.1
269.48117	0.7
297.04480	0.6
545.19934	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3483
Annotation	Heracleifolinol
Peak:m/z	Relative Intensity
57.03314	0.2
59.01253	100.0
60.01583	0.9
61.98703	0.3
69.43093	1.4
71.01250	0.5
73.02841	0.5
78.95787	0.6
83.04919	0.3
85.02838	0.6
87.00752	0.4
93.03336	1.2
96.95899	1.2
98.20567	0.2
99.00790	0.2
102.62560	0.2
102.82393	0.1
106.83855	0.2
111.04411	0.3
117.03358	1.2
119.04922	0.8
127.03841	0.2
133.02890	0.2
135.04425	0.3
143.04958	0.5
145.02858	3.2
145.03918	0.3
152.99503	0.6
154.02550	0.2
163.03979	0.7
172.58492	0.2
173.04564	0.4
185.59093	0.2
187.03940	1.0
187.07602	0.2
188.19974	0.2
191.05548	5.3
192.05957	0.3
196.30966	0.2
209.11816	0.2
215.07147	0.3
225.20331	0.2
283.13348	0.2
353.14316	0.3
371.15347	0.3
407.29559	0.4
455.28214	0.2
485.32730	9.2
486.33011	1.4
545.24951	0.9
545.34692	1.4
546.24969	0.2
546.35736	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	1.0
58.00450	1.3
59.01248	41.5
60.99166	0.7
61.98692	0.6
64.24848	0.5
65.12112	0.5
67.01763	2.8
67.40855	0.5
68.99670	2.5
69.03323	2.2
71.01251	17.4
71.50646	0.6
71.51042	0.4
72.99175	1.3
73.02821	1.2
77.01237	0.4
79.95588	0.5
81.03331	0.7
85.02820	12.0
87.00744	8.9
89.02312	29.2
93.03331	18.6
93.03927	0.8
94.03697	0.5
95.01254	4.9
96.95864	0.5
97.06462	6.4
99.00779	0.7
101.02322	16.3
109.02857	1.1
111.04380	3.1
113.02334	8.2
119.03384	9.5
123.04406	6.2
125.02335	1.0
127.03936	2.6
131.03394	1.6
133.02794	0.7
135.04449	0.6
137.02269	0.5
137.05991	0.7
143.03409	3.2
149.02454	0.7
149.04456	1.2
151.00162	0.5
155.03412	10.8
155.10652	0.9
161.04494	2.8
171.02875	0.7
173.04478	12.3
173.05983	0.8
174.04799	0.9
175.03905	0.8
177.01828	5.4
179.05525	12.3
181.04996	0.7
181.09146	0.5
186.06749	1.4
187.13295	0.7
191.05533	100.0
192.05853	4.3
211.07458	0.7
214.06279	2.2
215.07048	2.4
222.77220	0.4
224.08450	0.5
225.07411	3.6
225.09492	0.9
227.03477	1.3
229.08708	1.2
230.09241	0.6
233.06503	1.5
240.04182	0.5
251.07054	0.5
251.10899	0.7
253.08673	1.9
255.06604	0.6
255.13890	1.7
256.03430	0.6
256.07458	1.4
267.10147	0.7
280.11304	0.5
281.08154	0.7
281.15176	0.5
283.13443	2.7
284.03329	0.9
285.04013	1.7
286.04788	0.7
295.09808	1.9
296.10342	1.0
309.11606	0.5
309.14999	1.4
311.12759	1.5
324.10004	1.6
325.14395	0.8
327.12592	0.6
327.16153	1.3
353.13898	21.5
354.14261	2.1
355.10800	0.9
371.15018	3.3
372.15677	0.6
387.12820	1.1
447.09232	1.5
448.08884	0.8
545.21124	4.0
545.32867	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	545.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83503	0.5
57.03341	0.6
58.00468	0.7
59.01249	33.2
60.99174	0.7
61.98706	3.8
67.01775	2.7
68.99701	3.0
69.03332	1.9
71.01251	17.8
71.51613	0.9
72.01591	0.5
72.99186	1.3
73.02806	1.2
78.95773	1.0
79.55196	0.4
81.03326	1.1
83.01254	1.3
83.04886	0.7
83.57678	0.5
85.02823	12.8
87.00755	7.6
89.02317	22.1
93.03334	18.2
94.03632	0.7
95.01254	3.9
96.95891	5.8
96.96850	1.2
97.06461	5.3
99.04383	0.9
101.01702	1.0
101.02322	12.7
109.02853	0.8
111.04403	3.1
113.02331	5.9
119.03384	9.5
121.02879	0.7
123.04388	5.1
125.02358	1.1
127.03923	2.6
129.01810	0.5
131.03377	1.3
135.04366	1.0
137.02342	0.7
143.03406	2.7
149.04448	1.7
151.00256	1.9
155.03419	9.1
155.10672	0.6
161.02234	1.1
161.04448	2.9
171.02779	0.6
173.04463	10.0
175.03937	0.8
178.02477	0.6
179.03938	0.7
179.05531	11.3
183.04477	0.7
186.06749	1.0
187.07518	0.7
191.05537	100.0
192.05904	4.0
193.04979	0.6
196.05292	0.7
197.06020	0.5
207.06538	0.6
211.03973	1.1
211.07571	1.4
214.06332	1.3
215.07101	1.1
225.05649	0.9
225.07596	1.8
226.06175	1.3
226.09854	0.7
227.03394	0.9
227.10712	0.8
233.06598	1.2
237.05554	0.5
238.06087	0.6
239.07051	1.5
251.10825	0.5
253.05075	0.5
253.08638	1.5
255.10065	0.8
255.13939	1.6
267.10379	0.7
268.11017	0.6
269.04462	0.5
281.08075	1.3
281.15607	0.6
283.13486	2.3
295.06378	0.7
295.09698	0.7
296.10355	0.5
309.04193	0.9
309.14890	2.8
310.04037	0.6
310.15021	0.5
311.05020	0.7
311.12720	1.5
324.09985	2.0
325.14420	0.8
327.15970	2.7
351.08481	0.6
352.09464	0.6
353.10107	1.0
353.13907	21.5
354.10172	1.3
354.14307	2.4
355.11111	1.3
361.22015	0.6
371.15100	6.1
383.11047	2.2
387.12961	0.9
447.09357	0.7
513.13940	0.7
537.66638	0.6
545.15546	5.3
545.20862	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	543.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02521	0.4
57.03319	0.5
59.01247	6.8
61.75611	0.4
61.98690	0.6
62.29163	0.3
67.01743	0.7
68.99690	2.0
69.03326	8.9
70.84223	0.8
71.01245	4.2
73.02814	0.6
83.01211	0.5
85.02817	1.3
85.06460	22.7
86.06821	0.6
87.00746	1.0
89.02306	4.1
93.03334	5.5
99.00737	0.5
99.08036	1.7
101.02325	6.2
111.04385	0.4
113.02320	1.6
113.06002	0.6
119.03368	1.2
121.02827	1.7
125.02363	1.0
131.07031	100.0
131.37346	0.3
132.07358	3.5
133.02827	0.6
137.02368	0.7
143.59140	0.3
145.06487	0.6
145.08621	6.5
147.04372	0.4
149.04460	0.7
151.00278	0.6
153.05472	6.0
157.20592	0.3
161.02283	0.4
161.04543	0.4
163.07480	0.5
169.12257	1.2
173.04459	2.5
173.05986	1.2
179.03424	1.7
179.05714	0.5
191.05534	4.4
191.07092	1.2
197.11749	1.8
201.11247	0.8
209.11835	0.9
212.04851	0.4
227.03500	0.4
227.07091	0.9
235.05978	0.5
253.08795	0.5
255.02966	26.3
255.06630	3.4
256.03308	2.4
283.02472	18.1
283.05600	0.9
284.03152	4.6
285.04013	1.6
297.04080	0.6
309.04193	1.0
311.11295	2.5
313.03458	1.9
322.41843	0.4
323.05637	0.4
337.07388	0.6
352.09537	1.1
353.09946	2.2
363.08640	0.5
371.13580	0.4
381.09781	4.2
397.11481	0.7
415.12387	0.6
429.13974	13.1
430.14297	0.9
446.08524	26.8
447.09030	4.0
483.22278	0.9
499.25452	0.6
525.13928	0.7
525.27087	1.5
543.14789	3.1
543.21759	9.1
543.33319	1.3
544.22266	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1851
Annotation	Physalin D
Peak:m/z	Relative Intensity
59.01244	1.1
61.98720	0.9
68.54998	0.8
69.03354	1.0
71.01243	2.5
71.50790	1.4
73.02829	1.0
78.95780	42.0
79.95619	0.8
80.02542	2.6
80.96390	3.5
81.03327	2.9
83.04901	9.6
84.02026	1.7
85.02831	1.6
88.98684	1.1
89.02316	1.9
93.03342	1.9
95.04907	1.5
96.95861	1.5
96.96846	7.0
101.02325	1.6
108.02058	1.4
109.02859	1.5
111.32281	0.9
121.02804	2.2
125.02323	0.8
125.05994	1.0
125.97150	0.9
127.03896	0.8
134.05991	0.9
135.08078	1.5
137.02405	0.8
139.53064	0.9
151.03889	1.8
152.01048	2.0
152.99501	43.3
155.86327	0.8
162.05603	0.9
163.11221	7.6
164.98648	0.8
165.05553	1.4
165.12730	4.9
171.00533	1.2
181.12180	1.0
191.05536	5.5
191.10750	1.5
209.11780	98.0
210.12129	4.8
223.00081	3.9
227.12837	9.6
241.01149	20.7
242.01552	1.0
259.02255	1.3
275.34323	0.7
315.04892	4.9
351.01291	0.9
499.17142	1.3
543.18488	100.0
544.18842	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	543.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03292	0.6
58.15896	0.3
59.01245	3.6
61.98693	2.0
68.99648	1.4
69.03306	0.5
71.01250	3.2
72.99156	0.5
73.02805	0.9
75.00744	0.5
78.98464	0.6
79.95613	3.1
80.96386	7.6
83.04876	0.4
85.02821	2.1
87.00742	1.0
87.04385	2.9
89.02291	1.7
93.03342	3.2
94.97984	2.0
95.01259	0.6
95.04881	0.5
96.95894	0.8
97.02820	1.0
98.20557	1.1
99.00761	0.4
101.02330	2.8
102.01884	0.4
104.77959	0.3
105.03319	0.9
108.02063	0.6
109.02818	0.6
109.06478	0.7
110.14421	0.3
111.04407	0.7
113.02310	0.5
120.99500	0.5
121.02842	1.4
121.06504	0.4
122.03642	1.9
122.97466	0.8
123.00714	0.4
123.04408	19.9
124.04749	0.5
125.02299	1.1
125.05959	0.4
127.03785	0.4
131.03430	0.5
133.02855	1.4
134.03659	0.5
134.97496	0.5
135.04420	2.1
136.01535	1.2
136.99129	0.3
137.02333	1.0
137.09621	1.6
139.07520	0.5
143.04761	0.4
148.99019	1.0
149.02351	1.8
149.04457	1.1
150.03143	3.8
151.03912	100.0
152.04294	4.6
152.98526	0.8
155.03407	1.1
155.10681	10.7
156.11003	0.4
161.02318	1.8
162.02739	0.7
163.03931	0.6
163.11223	0.3
164.98575	1.0
165.05495	4.9
166.05821	2.1
167.06007	0.8
173.04489	1.5
179.03386	1.0
179.10703	1.6
181.05026	0.7
181.08633	1.0
183.59013	0.3
185.69765	0.3
191.05533	5.5
191.07137	0.5
191.10767	0.9
193.05083	0.3
195.06610	0.6
195.10205	0.6
199.06049	6.0
199.09677	12.0
200.10034	0.4
213.11354	0.5
225.00677	3.0
225.11320	0.5
241.10736	4.1
243.01840	0.3
253.10968	1.0
255.12448	0.5
283.11862	6.8
299.04669	0.6
314.94885	0.3
343.13953	5.6
344.14572	0.7
353.08963	0.5
468.17810	0.4
485.17398	0.4
495.20035	0.6
499.13062	0.5
525.16516	3.4
526.17242	0.4
543.21143	14.9
544.21588	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	543.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11520	0.4
58.74415	0.4
59.01252	8.2
61.98708	1.4
67.01763	0.8
67.68064	0.4
68.99693	1.4
69.03327	8.0
71.01247	5.6
71.51247	0.8
73.02821	1.3
78.95775	1.0
79.95646	0.5
83.04903	0.6
85.02811	2.6
85.06464	20.7
86.06811	0.7
87.00747	1.0
89.02321	5.2
93.03334	7.1
97.02756	0.5
99.00747	0.5
99.08068	1.5
101.02330	7.3
109.02861	0.5
111.04416	1.3
113.02358	1.8
119.03370	0.7
121.02876	2.2
121.06511	1.1
125.02377	0.6
131.07039	100.0
132.07381	2.5
133.02841	1.6
134.03596	0.7
135.04408	1.2
137.02322	1.4
143.03371	0.6
145.08600	5.0
149.04451	1.2
151.03915	0.5
152.99423	0.7
153.05472	6.6
155.03453	1.0
159.04459	0.6
161.02357	1.2
163.03972	0.5
165.05449	0.7
173.04471	3.5
173.05991	1.4
179.03430	1.6
179.05566	0.7
191.05565	8.8
191.07133	1.5
192.05872	0.6
199.07733	0.5
215.07164	0.6
223.09753	0.8
224.61870	0.5
232.05875	0.4
239.68330	0.5
255.02980	10.0
256.03482	1.2
283.02496	6.5
284.03177	1.5
285.03970	0.6
311.11438	1.7
334.06967	1.0
343.15353	0.6
351.12277	0.6
381.09802	1.1
415.12662	0.7
429.14011	12.2
430.01846	0.5
430.14465	1.1
446.08493	9.1
447.09113	1.6
483.22968	0.8
483.29572	0.7
543.21130	11.0
543.33746	1.3
544.20972	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	541.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	1.5
59.01259	10.0
61.98689	3.4
63.69444	1.1
69.03313	2.7
69.37931	8.7
69.38342	2.2
71.01245	5.0
72.99179	1.4
73.02789	4.0
85.02824	5.8
87.00753	1.4
87.04388	16.0
89.02316	1.6
93.03306	1.9
97.02802	2.8
99.04379	1.2
101.02322	4.4
102.47168	1.3
104.01261	1.2
109.02802	4.3
111.04433	1.8
111.08040	1.6
112.72957	1.2
113.02269	2.1
120.78876	1.0
121.02792	1.2
125.02370	2.1
125.05968	1.4
133.02841	2.3
134.03616	13.5
135.04411	69.0
136.01555	1.7
136.04733	4.2
137.02338	27.7
137.05966	1.3
137.09586	12.9
139.03911	1.1
139.07495	3.7
139.11166	2.1
149.02345	1.5
149.05916	1.5
150.03082	1.9
151.03854	2.5
151.11177	2.1
155.10678	56.3
163.11159	1.3
164.04718	1.3
169.12210	3.6
173.15875	1.2
175.62408	1.2
179.03456	2.3
179.07103	1.5
179.10745	6.5
181.08623	6.9
182.05762	66.9
183.02937	2.7
183.06418	7.9
191.05511	6.8
191.10681	3.8
195.10124	3.7
197.08122	100.0
198.08412	6.7
199.09683	57.8
200.09985	3.5
213.11192	3.4
223.09703	1.6
225.11240	1.8
237.11302	1.7
241.10750	18.6
253.10718	6.1
255.12335	4.2
266.30368	1.5
283.11859	32.4
284.12393	1.5
291.42993	1.6
343.13992	17.3
541.23322	45.8
542.23975	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	541.2293
Annotation	Agnucastoside A
Peak:m/z	Relative Intensity
57.03322	5.3
58.00447	0.8
59.01249	11.4
59.67236	0.6
61.98700	8.4
63.02283	0.8
67.01713	0.6
68.99703	0.8
69.03329	21.3
69.73438	0.6
71.01249	7.8
71.04481	0.6
71.04879	3.3
71.50945	1.4
72.99168	1.5
73.02817	1.2
78.91187	0.6
78.95794	1.2
81.03331	4.4
83.01276	0.8
83.04911	1.1
85.02824	3.6
85.06445	0.7
87.00758	2.1
89.02323	9.2
93.03336	4.8
95.04912	1.0
96.95833	1.4
101.02312	4.8
107.01273	0.9
109.02865	1.1
111.04415	1.2
111.08038	3.1
113.02337	2.8
113.05972	1.8
119.03419	3.3
119.04868	1.0
121.02768	0.8
123.08078	1.3
125.02333	10.7
133.02841	1.0
133.06488	4.5
135.04431	2.0
137.02342	1.5
139.11186	28.1
139.12265	1.4
140.11539	1.1
143.03433	0.9
150.03140	0.6
151.00255	2.7
151.07523	3.4
153.01752	0.9
155.10669	0.8
161.02380	0.9
165.05418	0.8
166.02603	0.7
166.06090	0.6
173.04495	4.3
177.01859	1.9
177.05461	2.6
179.03436	0.8
179.05551	1.8
183.10187	100.0
184.10538	6.1
191.05534	15.3
193.05063	0.8
195.06586	2.2
199.07655	1.0
212.97998	0.7
283.23416	0.7
284.03262	0.9
333.07758	0.8
351.08395	0.8
357.11954	3.6
379.08228	2.5
389.29028	0.7
481.25403	0.7
541.13159	6.4
541.20630	1.1
542.13824	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1744
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	6.7
61.98694	4.0
67.01753	0.9
68.99684	6.8
69.03321	3.9
69.22419	1.9
69.22837	5.4
71.01244	6.7
72.99183	1.3
73.02821	1.7
75.00729	1.7
78.95766	0.8
78.98467	2.7
79.95605	100.0
80.96387	30.7
81.03320	1.1
83.01268	0.9
85.02823	4.0
87.00758	2.1
87.04376	1.9
89.02304	3.3
93.03329	16.8
94.03674	0.9
94.97948	7.3
95.01261	2.1
96.95872	4.8
97.02080	0.6
97.02809	2.2
97.43722	0.7
99.00729	0.7
101.02318	17.4
105.03378	0.9
106.98011	0.8
109.02813	1.9
111.00769	1.6
111.04387	1.8
111.94604	1.7
113.02327	1.8
117.87442	0.7
121.02837	2.0
122.03626	1.0
122.97454	2.7
123.04411	15.2
125.02315	2.8
127.03884	0.9
133.02814	0.8
134.97438	2.1
135.04398	6.6
136.01500	1.1
136.99017	1.7
137.02333	8.4
137.09570	0.8
148.99011	2.6
149.02284	3.1
149.04434	0.9
150.03075	3.3
151.03911	56.8
152.04242	1.4
152.98541	3.5
155.02240	0.9
155.03406	14.4
155.10690	5.8
156.03770	0.9
157.18413	0.9
161.04384	2.3
161.05980	0.9
163.03851	2.7
164.98553	5.9
165.05481	3.4
167.07051	1.5
173.04396	2.1
177.05429	2.1
179.00090	1.2
179.03445	1.6
181.08574	1.3
182.99542	1.0
189.05525	0.9
191.03656	1.2
191.05530	10.2
199.05949	3.1
199.09682	5.8
206.99609	3.8
207.10159	1.1
218.60236	0.9
223.99963	1.0
225.00687	18.8
235.06145	4.5
241.00102	2.8
241.10832	1.3
243.01622	2.0
264.63016	0.7
279.04956	5.2
279.08231	1.5
283.11734	2.8
284.02698	0.8
293.08316	2.1
299.04456	5.0
303.02441	0.9
311.07571	2.9
324.79852	0.8
343.13712	2.6
349.08896	1.4
371.06036	1.3
385.07767	1.7
399.09671	4.3
413.10873	1.9
441.14078	4.3
442.14508	0.9
465.18198	0.8
471.16092	0.9
481.17166	0.9
497.17004	1.3
499.12598	6.2
500.13406	0.8
525.16479	24.6
526.17194	3.6
543.17084	38.4
544.17914	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1844
Annotation	Unknow
Peak:m/z	Relative Intensity
57.34583	10.1
59.01241	20.3
61.98686	18.4
69.03331	9.6
69.24832	100.0
71.01254	18.6
73.02829	15.6
73.63054	8.8
77.66562	9.2
78.91770	9.3
86.03071	9.0
87.21161	11.1
93.03339	19.7
103.25724	9.8
109.02845	13.0
113.02354	11.9
123.04383	14.6
135.04413	13.7
137.02357	24.1
150.03116	16.2
165.05495	15.8
181.08646	10.7
191.05566	38.9
195.06442	13.1
206.36993	9.3
254.80136	10.7
270.80179	10.8
329.13971	11.3
358.15085	10.9
511.50339	10.2
541.21179	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	541.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62085	0.4
57.03300	0.5
58.00460	0.4
59.01248	5.3
61.98688	1.9
65.00175	0.9
69.03316	1.2
71.01243	1.9
72.99197	0.5
73.02818	2.7
81.03329	0.4
82.28267	0.4
83.01242	1.3
85.02820	2.1
85.14694	0.5
87.00762	0.5
87.04393	4.7
89.02318	1.0
93.03342	1.1
96.95907	0.8
97.02831	1.2
99.00732	0.5
101.02325	2.1
107.01274	1.4
107.04887	0.5
108.02081	0.9
109.02831	14.0
111.04423	0.6
111.08057	0.4
113.02330	0.8
115.03880	0.6
118.09414	0.4
119.04919	0.6
120.99545	0.6
121.02859	0.7
122.03587	0.6
123.04436	1.0
124.28048	0.4
125.02328	1.5
125.05972	3.0
130.08604	0.5
134.03616	2.6
135.04414	100.0
136.04756	3.7
137.02333	2.1
137.06018	0.7
137.09615	4.0
137.43295	0.4
139.07547	0.9
139.11124	0.8
143.07068	2.7
146.03625	3.7
149.02274	0.9
150.03125	1.4
151.00275	5.4
151.11176	0.7
153.01846	12.6
154.02182	0.8
155.10670	20.4
156.11032	0.8
161.06009	1.0
163.11137	0.5
164.04744	2.6
165.01834	1.3
165.05460	2.0
166.06293	0.6
167.03374	0.5
167.10605	0.8
169.12314	1.1
173.04495	1.0
175.00226	1.0
176.64294	0.4
177.09096	0.5
179.03505	0.7
179.05588	0.4
179.07054	7.3
179.10669	2.1
180.07368	0.6
181.08604	1.5
183.10210	0.7
191.05545	4.4
191.10663	1.4
193.12285	0.6
195.06537	0.7
195.10216	1.4
198.06767	0.7
199.07767	0.8
199.09682	13.7
200.10037	0.9
212.04716	0.5
213.05493	0.6
213.11287	0.9
225.11220	0.9
227.07101	2.8
237.11021	0.5
241.10773	4.5
243.12390	0.6
253.10767	0.9
255.12379	1.5
259.11743	0.5
283.11896	7.3
284.12091	0.6
309.04147	0.9
327.08813	0.5
343.13947	5.7
344.14014	1.1
361.15161	1.0
379.08160	3.2
387.16727	1.4
403.08228	0.5
453.17612	2.8
479.19223	38.1
480.19635	4.4
541.13007	1.3
541.23773	2.8
542.23199	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99377	0.7
57.91046	0.7
59.01234	3.1
69.03316	1.3
69.51979	2.8
69.52406	2.6
71.01247	2.4
73.02818	1.5
85.02831	1.4
87.00736	1.0
89.02324	1.7
90.13011	0.7
93.03318	1.6
95.01268	3.1
97.02844	5.0
101.02317	2.9
102.49249	0.7
107.04904	2.3
109.02817	2.1
113.02331	3.2
121.02878	1.2
122.03630	1.5
123.04395	4.8
124.01522	1.1
125.02411	1.0
125.05990	0.9
131.03383	1.5
134.03624	1.8
135.04373	4.6
136.01581	1.0
137.02350	12.7
138.03128	7.5
146.03638	15.1
149.02356	3.2
149.05984	2.3
150.03146	5.6
151.02669	1.6
151.03914	28.1
152.04315	1.2
153.01816	1.2
153.05481	7.7
161.04630	1.1
161.05981	6.2
162.03203	0.8
164.04701	9.6
165.05498	5.6
166.06241	1.6
167.07040	7.3
175.03944	0.9
177.05522	1.2
179.03456	2.6
179.07057	31.5
180.04182	0.8
180.07437	1.8
181.04991	100.0
182.05766	40.5
182.07039	0.5
182.07451	0.9
183.06558	69.5
184.06908	3.9
189.05551	2.6
191.05524	4.8
194.05888	0.8
195.06575	10.3
205.05171	0.8
209.08109	2.7
217.10765	1.1
219.06650	2.2
223.06088	7.3
225.07697	4.2
237.07657	20.0
238.08023	1.9
281.88077	0.8
313.09290	19.4
314.09625	1.3
331.11728	6.5
343.10498	5.9
344.11115	19.2
345.11841	8.0
361.12982	6.4
379.13705	7.4
380.14233	0.9
399.12961	3.0
464.29614	0.8
468.58240	0.7
493.17288	1.9
523.18115	4.1
524.18750	0.9
530.57239	0.8
541.19836	1.7
542.15356	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	0.3
56.00551	0.2
56.19431	0.2
58.00459	0.3
59.01249	8.2
59.36699	0.2
60.89727	0.2
61.98676	0.3
65.93102	0.2
68.99689	0.5
69.03328	1.2
71.01254	4.2
72.99149	0.4
73.02877	0.3
83.01268	0.4
85.02833	1.1
87.00762	0.3
89.02314	4.1
93.03321	0.7
94.02860	16.9
95.03207	0.4
95.04891	0.4
96.71414	0.3
97.02818	0.4
98.19771	0.7
101.02316	2.5
107.04906	0.3
109.01571	0.3
109.06477	0.4
113.02322	1.4
115.01068	0.3
116.04936	1.0
119.03367	1.8
121.06477	1.0
122.02364	100.0
123.02715	2.7
142.06526	1.1
148.03943	0.3
166.06567	0.5
167.06056	2.9
168.08055	0.4
169.07619	7.6
170.06036	0.4
170.07948	0.5
173.04398	0.3
174.05479	0.3
181.07600	0.8
183.09218	0.8
191.05583	1.1
194.09760	0.3
195.05540	0.3
195.09225	0.7
197.07130	0.3
209.07135	1.0
219.06854	0.4
219.09100	0.3
220.07724	0.4
221.07140	0.5
221.10793	0.4
222.09341	0.9
223.06284	0.4
235.08688	1.8
237.06749	0.5
237.10223	3.2
247.08629	0.3
248.10750	0.6
263.08200	0.7
265.09802	40.1
266.10187	3.7
270.08078	0.4
271.12354	0.3
274.08713	0.3
274.12335	0.6
281.09378	0.8
289.13406	1.0
299.11868	3.5
309.08804	30.6
310.09070	3.1
317.12936	5.1
318.13348	0.6
335.13989	1.4
351.13470	5.0
352.13788	0.4
361.11911	23.3
362.12225	2.6
379.13025	3.3
380.13605	0.4
421.14096	0.5
444.89618	0.3
458.67517	0.3
541.18268	18.8
542.18451	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34589	0.7
57.03319	1.7
59.01248	3.7
61.98696	1.7
69.03351	0.7
70.77355	1.2
70.77695	1.3
71.01261	2.1
78.95773	20.3
78.96219	1.2
83.04898	1.3
85.02831	1.1
93.03356	2.2
96.96856	2.2
97.02895	0.8
97.06482	1.2
99.08032	3.7
111.08053	0.8
113.09608	4.0
125.09609	1.0
126.89231	0.7
127.07511	0.9
129.09102	5.5
129.49214	0.6
133.02838	0.8
135.04419	1.6
139.11147	1.6
151.11217	1.2
152.99489	23.7
153.12752	0.9
163.11143	0.8
165.12775	0.9
167.10643	0.9
167.14316	1.6
169.12219	2.9
171.00569	3.1
171.10197	5.5
176.91275	0.7
179.03471	0.9
181.12286	4.9
182.00372	0.8
183.13812	2.4
191.05537	7.0
192.05943	1.2
193.12256	2.7
195.13863	1.7
197.11754	12.6
199.13316	6.7
207.10178	0.9
209.11833	0.9
211.13327	19.0
212.13673	1.5
227.03290	1.4
245.04279	4.3
265.21875	0.9
269.41599	0.8
275.20245	1.2
291.19446	0.8
293.21207	18.3
294.21426	1.3
311.22263	100.0
312.22577	9.8
357.29062	0.7
539.26190	90.5
540.26599	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	539.2627
Annotation	CHEBI:68153
Peak:m/z	Relative Intensity
55.59917	0.6
57.03319	1.2
59.01244	2.1
61.91900	0.5
61.98693	1.5
62.47587	0.5
69.03328	1.1
71.01244	1.0
73.01333	0.6
78.95777	18.6
79.36657	0.5
83.04881	0.9
84.51505	0.5
85.02816	1.3
86.08134	0.5
93.03343	1.6
96.96843	1.1
97.06452	0.7
98.20519	1.0
98.61791	0.5
99.08031	2.7
111.08025	1.0
113.09637	3.1
124.01563	0.6
129.09128	5.1
133.02815	1.2
135.04399	1.7
150.98022	0.5
151.11252	0.6
152.99495	22.3
161.02417	0.9
163.11256	0.8
167.10684	0.7
169.12263	4.7
171.00560	2.8
173.04486	0.7
181.12279	5.3
182.12636	0.5
183.13857	2.7
191.05540	6.2
192.05925	0.8
193.12305	1.1
197.11761	13.8
199.13312	6.7
200.13635	0.6
211.13344	19.8
212.13658	1.5
227.03264	2.5
245.04314	4.4
245.73816	0.6
249.22250	0.9
275.20139	1.2
293.21216	17.7
294.21494	1.7
298.98697	0.6
299.01959	1.1
311.22269	100.0
312.22675	9.6
314.04150	1.3
329.06656	2.1
411.06909	0.6
412.70041	0.6
477.11905	0.9
539.26245	84.3
540.26666	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	539.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	2.1
56.33995	0.6
57.03327	4.1
58.00459	1.9
59.01252	32.9
61.69514	0.5
61.98694	0.9
67.01756	1.1
68.99681	2.5
69.03320	1.8
71.01253	32.1
71.51595	0.7
72.99188	3.5
73.02817	5.7
75.00732	1.7
81.03294	0.6
83.01263	3.4
85.02818	11.3
86.03155	0.5
87.00756	3.0
87.04411	3.8
88.98679	0.8
89.01761	1.0
89.02316	18.8
93.03358	3.0
94.78793	0.5
95.01266	3.1
95.04912	0.6
96.95874	1.1
97.02813	0.8
97.06471	0.8
99.00748	2.3
99.04420	0.8
99.08015	0.6
101.02329	23.6
102.02637	0.7
108.02060	3.2
109.02840	2.1
111.00742	1.6
111.04382	0.7
111.08080	0.6
112.10218	0.5
113.02328	10.4
113.04890	0.6
113.72726	0.5
119.03381	6.3
119.04918	1.0
121.02858	1.1
122.03618	1.5
123.04411	7.2
123.08058	1.2
124.01522	0.6
124.07581	1.8
125.02309	1.7
127.03894	1.9
129.01782	0.8
129.64044	0.5
131.03329	0.7
134.03601	0.7
135.04410	4.4
136.01563	0.6
137.02341	7.0
137.09589	0.5
138.03096	2.0
143.03392	1.0
143.10675	0.8
145.02927	0.7
147.04408	0.7
149.02370	1.4
149.04449	3.1
149.05992	0.8
150.03104	3.7
151.03857	1.8
153.01869	0.7
153.09094	0.9
155.10670	1.2
159.02876	1.1
161.04407	1.7
161.05678	0.6
163.03896	1.6
165.05469	3.5
167.07083	1.1
168.06554	2.1
169.12283	1.2
171.13794	0.6
173.04417	1.4
173.05943	0.6
173.11743	0.7
177.01802	0.9
179.03418	4.2
179.05510	1.6
180.04059	0.7
181.04999	3.3
187.13309	3.2
191.05527	7.4
192.05931	0.7
195.02916	2.8
195.06540	1.8
201.14682	0.5
207.06418	0.7
215.00128	0.5
217.14311	2.0
227.12740	0.6
258.20703	0.6
274.88376	0.6
276.08734	1.2
276.12125	1.0
285.20609	1.1
295.09528	0.9
303.21848	2.8
308.11307	1.1
316.15527	1.5
328.12128	0.6
329.12457	0.9
344.12698	1.9
359.15140	2.7
360.14658	3.2
361.25912	1.2
375.27515	3.0
377.15964	2.3
377.29068	22.3
378.29276	1.6
447.25952	4.7
448.26340	0.8
465.27032	3.8
491.18460	1.1
524.18774	1.4
539.21954	19.6
539.34320	100.0
540.21741	7.0
540.34583	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	539.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97166	0.6
57.03309	1.6
58.00463	1.1
59.00953	1.3
59.01249	20.7
61.98700	4.4
69.03323	1.7
71.01252	7.5
72.99165	1.7
73.02813	3.7
75.06078	0.6
85.02830	5.2
87.00748	2.5
87.04376	1.1
88.98669	1.1
89.02316	9.0
93.03342	4.7
97.02779	0.7
98.19739	0.9
99.74548	0.6
101.02325	7.3
103.03879	6.5
108.02037	1.3
109.02856	1.2
111.04405	0.8
113.02330	1.8
119.03423	4.3
119.04897	1.6
121.02831	1.3
122.03588	0.9
122.05969	1.2
123.00735	1.1
123.04401	1.9
127.03938	1.3
132.46893	0.6
133.02820	2.1
134.03641	13.5
134.06006	1.6
135.04424	17.5
136.04787	1.0
137.02299	3.6
138.03128	2.2
138.05493	0.8
141.05396	0.7
145.02847	2.0
145.04950	1.4
146.03629	44.0
147.04251	3.1
149.02303	2.0
149.05968	12.8
150.03113	4.7
151.03905	6.0
152.04585	0.8
152.07068	2.8
153.01877	1.7
153.05519	0.9
160.03928	1.0
161.02318	1.5
161.04633	1.2
161.05981	17.5
162.03174	4.9
162.06268	1.0
163.03949	4.1
163.06046	10.1
164.04703	30.4
165.05479	7.1
166.99736	1.1
173.04459	3.4
177.01872	9.2
177.05473	15.7
178.05937	1.3
179.03552	9.3
179.07047	100.0
180.03831	0.7
180.07391	6.2
182.02126	1.9
182.05766	2.3
183.06476	2.6
191.05531	15.1
192.06302	1.5
195.06541	2.3
197.04474	2.5
197.08122	3.2
210.05310	1.1
211.06024	2.9
225.07683	1.7
253.09273	2.5
285.03839	1.1
300.03253	0.7
303.21783	12.8
304.22107	0.7
315.05014	0.8
328.11630	6.2
341.12332	2.6
342.13113	2.4
343.14020	11.8
357.14532	1.3
397.14948	13.4
479.25140	0.9
490.16959	0.8
491.19092	3.0
503.19400	2.6
521.20227	2.7
539.17291	3.7
539.34326	3.0
540.19684	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	539.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
57.70518	0.6
59.01258	5.2
71.01263	4.2
73.02811	1.4
85.02810	1.9
89.02336	2.9
93.03329	1.5
101.02306	4.0
112.36146	0.6
113.02314	2.1
119.03380	1.6
121.02798	3.2
122.03637	6.7
133.01823	0.5
133.02823	1.4
149.02350	16.1
149.05853	0.6
150.03136	40.6
151.03471	1.3
161.04514	1.0
164.04689	2.0
165.05484	42.4
166.06067	2.5
177.01781	0.6
177.05457	1.3
179.05415	0.7
180.04176	2.0
181.08644	1.7
195.06555	48.6
196.06866	2.2
245.58789	0.6
293.96240	0.6
329.13898	4.8
343.13983	17.9
344.14352	1.4
392.08615	0.6
397.14954	0.9
491.19211	100.0
492.19547	13.9
521.19312	0.6
539.21448	10.7
540.21692	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2471
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	5.9
61.52491	1.1
61.98708	3.1
65.00194	2.5
66.82097	1.0
67.01753	1.7
69.03311	3.2
71.01244	3.8
73.02811	1.2
76.22309	1.1
78.95776	31.0
79.95594	6.1
80.96384	4.9
81.03315	2.0
83.01302	1.2
83.04865	2.2
85.02831	3.8
87.00743	3.6
88.98682	3.1
93.03326	13.7
94.97947	1.4
96.95892	1.5
96.96861	3.5
101.02346	1.1
102.97331	1.0
107.01278	2.8
109.02850	1.4
110.15575	1.1
111.04392	2.5
111.08041	20.5
117.03349	6.1
125.02300	2.2
127.07516	1.4
133.02876	3.4
133.72090	1.0
134.03632	2.2
135.04427	11.9
136.04747	2.5
137.02328	2.4
149.02396	1.7
150.03117	1.6
151.00244	7.3
151.03886	1.8
151.11180	1.4
152.99487	32.7
153.12732	1.4
159.04361	3.3
161.02338	2.3
164.98576	1.2
165.12689	1.8
169.12233	11.6
171.00569	5.4
171.10213	1.6
173.04456	3.7
175.07486	1.3
178.02594	1.5
179.03394	4.2
179.10675	2.0
183.13853	1.6
187.03870	1.2
191.05540	25.8
192.05872	2.5
197.11758	99.5
198.12106	5.0
199.13335	3.1
211.13336	7.9
225.00667	3.0
227.03217	3.0
227.12881	2.4
243.02629	1.3
245.04265	6.2
255.02977	1.8
256.03668	2.9
263.20239	2.7
265.17972	1.5
267.02905	1.7
268.03735	2.0
269.04495	3.2
273.18539	1.3
283.02600	2.0
284.03207	4.6
285.04007	5.7
291.19675	20.0
292.19995	1.6
305.04523	3.1
307.06064	3.1
309.20688	78.7
310.21030	5.8
310.68225	1.3
312.22513	1.7
331.06165	9.9
332.06238	1.6
333.03967	2.5
375.05048	31.4
376.05301	4.8
383.80811	1.1
385.06885	2.1
399.05133	6.0
401.03165	1.9
417.06232	8.6
443.03976	2.9
446.08234	1.3
447.09543	1.6
473.20453	1.4
519.29498	1.9
537.08252	72.5
537.24658	100.0
538.08551	11.9
538.25000	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	537.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	2.3
70.16287	3.4
70.16656	5.7
71.01243	2.4
73.02796	1.4
78.95789	3.7
80.02547	2.8
81.03328	3.9
83.04908	7.7
95.01261	1.7
95.04929	2.0
97.06472	3.6
110.33715	1.6
115.07561	2.9
122.12120	1.6
123.04382	1.7
125.09637	2.1
129.09091	2.3
143.07057	3.1
152.99512	5.3
155.10709	16.7
163.11226	8.0
165.12749	10.2
167.10689	1.9
168.11583	1.7
171.10185	15.4
173.04471	1.9
177.21478	1.4
178.72353	1.7
181.12315	3.0
185.11745	3.0
185.93317	1.9
191.05623	6.2
191.10658	2.8
193.12305	2.7
193.15961	1.9
197.11873	3.7
209.11771	100.0
210.12091	5.4
225.11287	2.0
227.12871	19.8
247.20656	7.5
263.19968	1.7
273.18600	3.3
291.19684	72.5
292.20056	6.9
300.36560	1.8
307.19330	2.8
309.20706	97.4
310.21066	10.7
327.21729	32.9
328.22308	1.9
346.47797	1.6
365.23053	2.1
376.15469	1.7
391.64044	1.7
412.52673	1.9
501.32391	1.8
537.08405	4.3
537.34082	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	539.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35844	0.6
55.01751	2.2
57.03314	1.6
58.00475	0.9
59.01255	14.1
71.01256	16.2
71.38817	1.6
73.02827	6.2
74.12249	0.7
83.01243	4.9
85.02830	9.5
85.99980	1.4
87.00750	1.8
89.02308	2.6
93.03260	0.7
95.01261	2.0
99.00763	3.0
101.02331	17.2
109.02874	1.0
113.02336	5.7
121.02838	2.7
122.03651	3.5
125.02360	0.7
132.02090	1.2
133.02846	6.4
134.03586	2.1
135.04433	0.7
136.01556	0.9
137.02277	1.1
147.04416	1.3
149.02353	21.9
149.05969	2.6
150.03136	33.8
151.03467	1.1
164.04741	7.0
165.01819	2.0
165.05492	40.6
166.06166	3.7
167.06999	1.5
180.04231	2.0
181.08635	7.1
195.02811	0.9
195.06566	10.1
196.06868	0.8
283.09906	0.9
314.11618	7.2
315.12216	2.3
329.13971	17.2
330.14264	1.8
343.13995	14.2
344.14462	1.0
357.15036	0.8
467.74863	0.7
491.19241	100.0
492.19565	10.5
505.94089	0.8
539.21381	15.8
540.21521	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	537.2469
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86514	1.4
55.81558	1.6
57.03321	3.3
58.00503	1.4
59.01242	4.6
61.98698	3.3
68.99726	1.6
69.03323	1.8
69.75282	7.3
69.75689	2.7
70.77460	1.4
78.95779	44.0
78.96227	3.1
83.01240	8.0
83.04905	4.4
86.67830	1.5
87.00863	1.5
88.98670	2.5
89.02221	1.4
93.03338	2.3
95.04929	3.3
96.96844	5.2
98.19895	2.8
111.08015	4.5
120.43955	1.6
123.04447	2.6
125.09602	7.7
127.69701	1.6
135.04488	2.3
139.03925	1.5
139.11160	3.8
151.11191	3.3
152.99490	49.5
163.11192	7.1
165.12784	7.1
167.10701	4.3
171.00552	9.6
173.04506	2.5
179.10854	1.6
179.14294	3.9
181.12225	4.2
191.05580	9.4
191.10754	3.6
192.05785	1.7
193.15933	2.0
195.13837	10.3
197.11789	2.5
205.12254	4.9
209.11768	39.5
210.12135	2.4
211.13229	1.6
223.13322	32.0
224.13823	1.7
227.03264	3.9
245.04286	7.1
247.20515	7.6
256.03748	2.3
273.18527	4.4
281.59927	1.8
285.03976	3.6
291.19662	100.0
292.19962	10.2
309.20682	42.1
310.21017	5.3
312.95303	1.9
396.76187	1.7
419.81927	1.8
447.09109	2.5
450.23495	2.9
451.17288	14.8
519.23792	3.3
537.08167	5.2
537.24725	66.3
538.24927	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	537.2107
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	5.7
59.01252	26.5
60.99179	4.1
62.36306	3.3
68.99698	3.0
69.58157	20.4
71.01251	23.1
71.56842	3.1
72.99138	4.5
73.02809	5.3
78.95785	6.4
82.90475	2.8
83.01257	3.4
84.52222	3.1
85.02832	9.8
87.00740	5.6
88.98663	14.1
89.02309	32.6
93.03294	3.7
96.96838	3.9
98.19868	4.2
101.02304	17.8
113.02342	8.5
119.04920	5.8
123.04443	3.1
125.02351	3.0
131.03387	8.0
135.04364	6.2
149.04451	25.1
151.03835	3.0
163.11142	3.1
173.04472	6.6
179.03374	7.0
191.05516	31.6
193.06198	3.2
201.01559	7.4
205.59921	2.9
211.06009	7.1
226.53394	3.5
285.04007	14.0
295.06430	3.1
325.10501	3.2
344.12036	3.0
363.61841	3.3
375.06955	18.4
447.09369	10.8
451.17480	3.1
452.47086	3.0
455.50668	3.2
537.21130	100.0
537.32788	25.0
538.21088	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	537.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	2.1
57.03316	4.2
58.00444	3.2
58.36475	1.4
59.01249	100.0
60.99176	1.6
61.98692	3.3
62.35043	1.4
68.22665	1.7
68.99653	2.1
69.03317	4.6
71.00905	2.3
71.01255	32.0
72.99181	21.5
73.02810	11.1
75.00742	64.0
83.01245	4.6
85.02829	21.0
85.06453	2.5
87.00755	7.2
88.98662	2.5
89.02312	28.8
93.03330	5.2
95.01244	2.6
97.02831	1.8
98.20592	2.6
99.00750	5.5
101.02320	23.9
109.02831	3.0
113.02328	15.6
119.03396	6.2
121.02869	2.4
125.02308	2.3
129.01842	1.9
131.03354	4.3
134.03618	4.8
135.04414	2.9
137.02303	2.8
137.09564	1.9
139.00256	2.3
140.01019	6.5
141.01860	1.5
143.03389	1.8
145.02814	4.0
146.03618	19.2
147.04404	2.0
149.02399	3.5
149.04454	6.1
149.05972	5.6
150.03105	3.7
152.01044	1.8
153.01868	1.8
155.03384	7.9
155.10696	8.7
160.05142	2.3
161.02318	3.7
161.04402	4.0
161.05960	8.4
162.03104	4.2
163.03905	1.7
164.04713	17.3
165.05424	4.3
167.03412	3.2
173.04474	2.6
175.07550	1.8
177.05479	7.1
179.03439	2.7
179.05545	5.4
179.07050	35.7
180.07446	2.2
182.05620	1.6
183.10196	2.9
191.05508	18.6
195.06471	2.0
199.09764	2.4
201.11259	4.0
262.88797	1.5
285.04123	2.3
339.05219	1.8
345.15515	6.5
348.73877	1.5
363.16608	6.1
375.27292	13.5
447.09332	4.0
449.20401	2.7
465.27216	3.2
477.19727	91.8
478.20163	10.3
507.19873	5.4
537.21991	9.8
537.32745	50.9
538.21356	2.7
538.32959	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	537.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87539	0.8
54.13610	0.8
56.17071	0.8
57.03306	1.2
58.00453	1.6
58.42709	0.8
59.01249	38.0
61.00438	0.9
61.98676	1.1
63.20365	0.8
65.19615	0.9
68.99669	1.8
69.00709	0.9
70.52928	3.3
71.01253	36.6
72.99175	3.1
73.02824	4.1
75.00751	4.8
78.50381	0.8
78.95782	2.6
83.01262	1.8
85.02818	9.3
86.55938	1.0
87.00743	2.4
89.02313	46.5
93.03339	6.8
95.01257	3.0
96.95919	1.2
96.96877	1.0
99.00747	1.1
101.02328	17.5
108.02029	1.1
109.02829	2.0
113.02334	14.9
118.20753	0.9
119.03386	17.5
121.02864	7.4
122.03640	14.8
123.00744	1.7
123.04415	2.3
125.02312	2.0
131.03389	3.0
133.02835	3.3
135.02914	3.4
135.04369	1.8
136.01588	2.6
136.17813	1.0
137.02362	2.1
137.09602	1.0
143.03384	3.7
146.03682	1.3
149.02348	31.1
149.04344	2.1
150.03127	98.0
151.00258	1.3
151.03569	4.0
155.03400	3.0
155.10660	1.3
156.72327	0.9
161.02280	1.3
161.04486	6.2
162.03119	2.9
163.03941	1.4
164.04707	8.5
165.05478	100.0
166.02684	1.2
166.05852	5.2
173.04430	4.4
174.56903	0.9
175.04951	1.2
177.01933	1.7
179.03268	1.6
179.05521	17.5
179.07039	3.8
180.04213	6.7
181.04927	2.5
183.70016	1.0
191.05522	9.6
195.06551	69.7
196.06903	3.7
199.09689	1.2
283.09668	1.4
286.50732	0.9
312.10098	5.0
327.08813	1.3
327.12320	33.0
328.12640	3.5
339.12277	5.7
345.13351	1.8
357.13440	1.7
369.13345	2.7
375.14447	6.9
477.19766	2.8
479.98468	1.0
489.17651	4.3
537.19550	15.5
538.19672	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	537.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	3.1
68.99670	0.9
69.03313	0.8
69.32183	3.8
71.01244	2.5
72.99174	0.5
73.02818	0.8
85.02814	2.5
87.00733	0.7
89.02314	2.3
93.03311	1.6
95.01257	0.9
97.02808	0.7
101.02330	2.2
108.02044	1.1
109.02829	13.0
109.19408	0.4
110.03135	0.6
111.00727	0.4
113.02361	0.9
119.03378	0.8
120.28373	0.5
121.02843	1.8
122.03600	0.9
123.00746	1.1
123.04384	0.8
124.01486	0.9
127.03929	0.8
131.03371	0.9
133.02827	1.1
135.04424	2.1
136.01553	5.6
137.02316	1.6
145.02863	1.5
146.03609	3.2
147.04385	1.5
149.02368	1.0
149.04460	1.6
150.03159	2.0
151.03905	6.4
158.03618	0.9
159.04480	2.4
160.05261	0.9
161.02327	2.2
161.04572	0.5
161.05963	2.3
162.86281	0.4
163.03929	0.7
164.04674	0.6
165.05481	2.6
167.10645	0.5
171.04411	0.9
172.05202	1.8
173.04489	0.8
173.05942	0.7
175.03917	6.5
175.07529	0.5
176.04710	5.8
177.01772	0.5
177.05200	0.4
179.03406	0.8
179.07083	0.5
185.06018	1.1
187.03918	1.3
188.04642	0.7
189.05441	4.0
190.06264	3.9
191.05505	17.7
191.07079	6.0
192.05840	1.1
195.06592	2.0
203.03416	0.7
209.06036	0.6
220.09695	1.6
223.07593	0.5
229.05003	0.5
233.06213	0.6
239.07025	1.6
244.88571	0.5
250.06274	1.0
251.07098	2.8
261.05569	1.4
262.06274	1.1
263.07089	1.0
265.04929	2.0
266.05750	1.9
266.09317	0.7
267.06601	8.2
268.07098	1.2
274.10886	0.7
278.05930	1.0
279.06586	10.5
280.06924	0.6
281.08264	2.3
282.08926	4.4
283.06241	0.9
283.09573	1.2
291.87326	0.5
293.08249	1.4
294.08963	6.9
295.09424	0.5
296.10526	1.7
297.07654	2.9
297.11292	12.8
298.11673	1.6
306.13510	0.9
309.08020	0.7
309.11276	1.9
311.09424	0.7
312.10025	16.4
313.10355	1.2
315.12299	1.7
317.87332	0.4
323.07803	0.8
327.12344	100.0
328.12677	9.7
345.09360	0.7
345.13416	10.1
345.17587	0.6
346.13654	0.8
357.13437	16.7
358.13760	2.0
375.14462	11.6
376.14828	1.2
457.11487	0.9
537.16687	2.1
538.22931	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	537.198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	1.1
57.03340	1.1
58.00460	3.0
59.01254	77.9
60.99155	0.6
69.48450	5.4
71.01257	48.4
72.01609	0.8
72.99174	4.5
73.02808	1.3
78.77821	0.6
80.82285	0.8
81.47249	0.6
83.01243	2.8
85.02829	11.2
87.00774	4.3
89.02324	60.3
92.81863	0.6
93.03338	2.2
95.01257	4.5
97.02848	0.9
101.02329	26.4
104.15155	0.7
108.02063	2.9
109.02840	9.2
111.04351	0.9
113.02338	19.0
119.03397	25.7
120.03707	0.8
121.02808	2.0
123.00772	1.5
123.04405	2.3
125.02282	0.9
127.03888	0.7
131.03406	2.5
135.04416	1.6
136.01567	22.3
137.02347	4.1
143.03378	4.2
143.04926	2.1
145.02826	1.3
146.03648	1.3
147.04457	0.7
149.02359	3.9
149.04459	2.2
150.03177	4.5
151.03926	25.4
152.01047	1.7
152.04277	1.0
159.04424	4.7
160.05247	1.8
161.02385	0.8
161.04437	3.6
161.05832	1.3
163.03886	1.1
164.04657	1.4
165.01878	0.8
165.05489	2.4
171.04498	2.5
172.05232	2.1
173.04570	1.5
173.05975	3.1
175.03941	1.9
175.07614	1.5
176.04706	1.6
177.01978	0.9
177.05556	0.8
179.03487	1.1
179.05540	8.6
179.06993	1.3
185.06001	1.4
187.03949	8.4
188.04691	4.8
189.05504	1.7
190.06274	1.5
191.05566	22.6
191.07092	1.1
192.05927	0.8
195.06523	0.8
200.04674	0.8
201.05544	2.2
202.06299	6.5
203.07118	3.7
235.07616	2.1
250.06136	1.0
251.07115	2.3
261.05579	1.4
262.06247	2.2
263.07135	6.4
264.07855	1.8
265.05112	2.0
265.08542	1.3
266.05609	1.2
267.06567	2.5
275.07062	1.5
277.08911	0.8
278.06076	1.1
278.09534	3.1
279.06644	8.1
279.09824	1.0
280.07297	1.4
280.93658	0.8
281.08160	2.1
283.06262	0.9
291.06662	2.5
293.08240	3.1
294.05679	1.3
294.08881	6.7
295.09726	2.7
297.11154	1.5
305.08231	0.9
306.09238	1.1
307.06235	1.1
307.09818	1.9
308.07043	1.0
308.10602	1.9
309.07684	5.9
309.11331	4.9
310.08142	0.9
312.10074	4.4
313.10498	1.3
323.09186	7.1
324.10010	17.6
325.10382	1.8
327.08597	2.5
327.12311	17.1
328.12619	1.7
339.12378	100.0
340.12711	9.4
357.09885	1.6
357.13745	1.5
375.14691	1.0
430.80676	0.7
457.11203	1.1
519.19360	3.4
537.19940	20.5
538.20190	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	537.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44182	1.2
58.00479	2.0
59.01249	43.1
67.41573	1.0
71.01251	47.1
71.28295	2.0
71.28635	1.4
71.33245	1.0
72.42000	1.2
72.99177	1.7
73.02808	4.3
75.00754	2.1
78.95781	2.2
83.01283	1.6
85.02824	11.0
87.00720	3.2
87.26958	1.3
89.02319	46.1
93.03318	3.1
95.01258	2.5
99.00736	2.7
101.02319	23.5
108.02067	3.2
109.02737	1.3
112.44635	1.0
113.02348	18.1
119.03392	18.4
121.02817	5.1
122.03619	10.2
123.04375	1.6
131.03459	3.0
131.04562	1.7
131.63266	1.1
136.01570	1.1
143.03354	4.8
149.02353	37.2
150.03128	83.6
151.03511	3.6
161.04465	13.6
163.03835	1.6
164.04704	13.6
165.05484	100.0
166.05836	3.7
173.04436	1.9
177.05455	1.8
179.04070	2.1
179.05548	19.1
179.07040	3.1
180.04243	6.6
180.05652	1.2
181.04974	1.5
191.05434	3.6
195.06549	53.8
196.06837	2.2
239.92206	1.2
258.62823	1.2
283.09763	2.1
312.10019	9.3
327.12357	76.6
328.12671	7.3
375.14490	4.7
437.23184	1.4
489.17633	9.6
490.18069	2.0
537.19763	18.0
538.19952	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	537.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11724	0.6
53.87204	0.6
57.03316	1.1
58.00462	1.0
59.01247	27.5
60.99166	0.6
61.98684	1.5
67.01759	0.6
67.93546	0.6
68.99690	3.7
69.02958	1.1
69.03325	14.9
70.86308	0.6
71.01250	21.1
71.51472	1.0
72.99172	2.8
73.02811	1.8
75.00764	1.2
81.03279	0.7
83.01246	1.9
85.02830	6.4
87.00753	3.5
88.98682	3.4
89.02315	30.0
90.02645	0.8
93.03323	3.8
95.01248	1.8
99.00780	1.0
101.01622	0.8
101.02313	17.5
108.02070	0.9
109.02834	1.0
111.04414	1.1
113.02326	9.3
115.00253	1.0
119.03392	11.6
119.04872	0.7
120.10938	0.5
121.02856	2.0
122.44231	0.6
123.04423	0.9
125.02316	1.0
131.03366	1.6
132.02902	1.4
133.02818	1.9
134.03627	13.6
135.04433	5.6
136.01555	1.1
137.02325	2.0
141.43570	0.6
143.03357	2.2
145.02849	4.4
146.03632	59.2
147.04259	4.8
149.02400	2.8
149.04443	1.6
149.05960	10.3
150.03108	3.0
151.03926	3.6
152.01033	0.7
153.01831	1.3
155.03427	1.5
155.10661	0.9
159.04372	0.8
160.05229	1.0
161.02357	6.4
161.04460	3.8
161.05959	18.5
162.03133	7.1
162.06395	0.8
163.03915	3.2
164.04698	43.3
165.05185	2.2
166.02637	0.7
167.03439	0.9
167.07040	2.1
168.06578	0.6
168.25769	0.6
169.49278	0.7
173.04439	1.9
173.05855	0.7
175.04079	0.7
175.07529	1.6
176.04671	3.0
177.01866	3.1
177.05484	14.2
178.05876	0.7
179.03654	7.3
179.05536	11.2
179.07031	100.0
180.03874	0.7
180.07397	4.4
181.04938	0.9
182.05745	1.9
183.06389	1.0
191.05569	11.0
191.07138	1.5
194.05777	6.2
195.06546	1.0
197.08141	2.0
199.09631	0.7
209.08118	13.8
227.92998	0.7
251.89857	0.6
284.03204	1.1
285.03925	2.2
329.13654	1.4
344.11270	1.0
345.07330	0.6
357.25452	0.7
358.12439	0.9
359.13513	4.4
373.13086	0.9
375.13412	2.0
375.27588	3.0
447.09216	2.2
477.19073	7.5
478.19608	1.4
501.43216	0.7
504.16522	0.6
507.19531	7.4
508.19403	1.3
519.18854	7.2
520.19403	0.9
537.21277	3.1
537.32605	9.1
538.32520	0.9
544.32281	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1614
Annotation	Alboside IV
Peak:m/z	Relative Intensity
58.00465	0.5
58.49250	0.3
59.01251	10.0
61.98708	0.4
64.30134	0.3
67.01763	0.7
69.03324	12.0
71.01253	5.6
72.99162	0.4
73.02775	0.3
81.03306	0.7
84.18216	0.3
85.02832	1.6
87.00755	0.8
89.02319	5.7
91.05419	0.5
93.03336	2.6
95.01237	0.7
95.04906	1.7
95.05458	0.3
97.02799	0.4
98.22987	0.3
99.04399	1.1
101.02319	3.4
105.03374	0.4
106.20750	0.3
107.04905	1.3
108.02057	0.4
109.02853	0.6
111.04420	0.4
113.02357	1.9
117.03365	0.6
117.97189	0.7
119.03399	2.3
120.74856	0.3
121.02847	1.1
121.06433	2.0
123.04389	0.7
125.02353	0.5
125.05970	0.8
127.03854	0.3
132.02106	1.6
133.02849	26.7
134.03674	5.0
135.04413	59.2
136.04771	2.3
137.02345	0.8
139.07559	0.5
143.03415	0.9
148.05249	0.3
149.02322	1.8
150.03145	0.7
151.07542	2.8
152.01056	0.7
153.01863	0.4
155.03392	0.6
161.02347	100.0
162.02708	5.3
167.03394	0.8
169.08600	0.7
173.04459	4.6
173.05840	0.4
174.04784	0.4
176.04536	0.3
177.01833	1.4
177.05498	0.3
178.02565	0.5
179.03413	44.9
180.03731	2.4
191.05545	5.9
191.07193	0.6
192.05815	0.5
195.06563	1.3
197.70450	0.3
201.11310	0.5
229.04936	0.4
229.61981	0.3
242.46428	0.4
245.84021	0.3
261.07684	0.8
272.03107	0.4
298.03607	0.4
313.10846	0.5
314.07938	0.4
314.14072	0.4
315.05109	0.7
315.12378	0.4
327.08856	0.5
328.13110	0.4
329.10202	0.5
331.11829	2.5
346.10388	0.5
351.07132	0.7
352.07880	0.3
358.10544	1.2
361.13022	2.0
373.12851	1.1
375.12866	14.3
375.16742	1.2
376.13217	0.9
507.19785	1.1
537.15637	9.8
537.32452	0.5
538.16461	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	537.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00465	0.5
58.49250	0.3
59.01251	10.0
61.98708	0.4
64.30134	0.3
67.01763	0.7
69.03324	12.0
71.01253	5.6
72.99162	0.4
73.02775	0.3
81.03306	0.7
84.18216	0.3
85.02832	1.6
87.00755	0.8
89.02319	5.7
91.05419	0.5
93.03336	2.6
95.01237	0.7
95.04906	1.7
95.05458	0.3
97.02799	0.4
98.22987	0.3
99.04399	1.1
101.02319	3.4
105.03374	0.4
106.20750	0.3
107.04905	1.3
108.02057	0.4
109.02853	0.6
111.04420	0.4
113.02357	1.9
117.03365	0.6
117.97189	0.7
119.03399	2.3
120.74856	0.3
121.02847	1.1
121.06433	2.0
123.04389	0.7
125.02353	0.5
125.05970	0.8
127.03854	0.3
132.02106	1.6
133.02849	26.7
134.03674	5.0
135.04413	59.2
136.04771	2.3
137.02345	0.8
139.07559	0.5
143.03415	0.9
148.05249	0.3
149.02322	1.8
150.03145	0.7
151.07542	2.8
152.01056	0.7
153.01863	0.4
155.03392	0.6
161.02347	100.0
162.02708	5.3
167.03394	0.8
169.08600	0.7
173.04459	4.6
173.05840	0.4
174.04784	0.4
176.04536	0.3
177.01833	1.4
177.05498	0.3
178.02565	0.5
179.03413	44.9
180.03731	2.4
191.05545	5.9
191.07193	0.6
192.05815	0.5
195.06563	1.3
197.70450	0.3
201.11310	0.5
229.04936	0.4
229.61981	0.3
242.46428	0.4
245.84021	0.3
261.07684	0.8
272.03107	0.4
298.03607	0.4
313.10846	0.5
314.07938	0.4
314.14072	0.4
315.05109	0.7
315.12378	0.4
327.08856	0.5
328.13110	0.4
329.10202	0.5
331.11829	2.5
346.10388	0.5
351.07132	0.7
352.07880	0.3
358.10544	1.2
361.13022	2.0
373.12851	1.1
375.12866	14.3
375.16742	1.2
376.13217	0.9
507.19785	1.1
537.15637	9.8
537.32452	0.5
538.16461	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	536.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38155	0.2
59.01245	0.6
61.98703	0.6
64.71656	0.1
71.50375	0.3
78.95777	50.2
96.96841	7.3
99.07340	0.2
110.19646	0.1
121.72299	0.2
137.44099	0.2
146.73517	0.1
150.97931	1.8
151.48775	0.1
152.99493	100.0
153.99835	1.5
171.00580	3.5
171.10127	0.3
191.05542	0.7
191.82082	0.2
195.13785	0.2
209.11661	0.3
238.70789	0.2
240.02748	0.3
264.55368	0.2
291.19672	0.3
295.22821	0.6
296.23178	0.3
309.20596	0.4
313.33212	0.2
449.23093	26.6
450.23532	3.0
536.26373	6.2
537.25909	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	536.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33590	0.2
59.01251	4.1
60.01583	0.4
61.01673	0.4
61.98702	1.4
71.50959	0.4
74.91734	0.2
78.95775	48.7
83.04900	0.2
85.02785	0.3
96.96844	6.7
150.97902	1.6
152.99487	100.0
153.99809	1.7
165.05638	0.3
171.00542	3.7
171.10246	0.4
173.04442	0.3
182.23103	0.2
191.05562	1.4
195.13783	0.3
277.21570	0.3
291.19614	0.6
295.22800	0.9
296.23129	0.6
298.48965	0.3
309.20804	0.7
311.22479	0.3
447.09412	0.4
449.23059	24.8
450.23419	3.2
536.26172	6.8
537.08740	0.5
537.25269	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	537.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53013	0.5
57.90707	0.5
59.01245	4.6
60.99180	16.9
71.01246	3.3
71.50423	0.6
72.99178	1.0
73.02798	0.7
78.87533	0.6
83.01272	0.9
85.02796	1.5
87.00733	1.8
88.98677	100.0
89.02316	4.2
89.51170	0.6
89.99033	0.9
93.12975	0.6
101.02330	1.7
109.02837	1.3
113.02338	1.3
115.05457	0.6
123.04465	0.9
131.03433	1.5
133.02875	2.6
135.04425	1.0
137.02357	1.8
149.02292	1.1
149.04480	1.1
151.00223	3.2
151.03851	0.8
175.03882	1.3
177.01857	0.7
177.05482	1.4
179.07063	0.7
191.05548	3.1
199.03854	1.1
211.04080	0.8
217.04959	1.5
223.09673	2.0
227.03409	1.0
243.03055	1.2
255.03055	0.9
256.03720	2.9
269.15622	0.8
284.03259	42.4
285.04031	96.7
286.04404	7.6
299.09042	0.6
315.08920	1.0
327.05176	1.2
327.08755	2.0
330.11249	3.0
342.11026	2.8
345.13330	10.0
357.13455	7.0
375.14462	2.1
447.09308	92.0
448.09625	11.9
483.64435	0.7
507.18903	0.9
537.23773	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3272
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03306	2.2
59.01243	2.4
68.34536	0.6
69.03326	1.1
69.24196	6.2
71.04893	1.3
80.02551	2.0
81.03331	3.0
82.70187	0.6
83.04897	9.4
84.02043	2.4
93.03316	1.3
95.04895	1.7
97.02839	1.3
97.06472	1.5
99.08038	0.6
109.06450	1.5
110.03596	0.9
121.06538	0.6
123.04407	2.0
123.08053	1.9
125.05946	1.5
125.09598	5.1
127.07590	0.6
135.08087	3.7
137.02347	0.8
137.05969	0.8
137.09618	2.3
141.05469	2.4
141.09077	0.7
153.09137	7.6
155.61514	0.6
163.11203	8.5
164.11398	0.7
165.09163	0.9
165.12738	5.1
171.10184	11.8
177.12831	0.7
181.12239	2.4
185.11755	6.5
191.10730	1.6
191.14374	7.4
197.11812	1.5
207.10245	2.4
209.11774	100.0
210.12119	5.9
211.13420	0.9
217.15935	1.0
225.11264	3.4
225.63545	0.8
227.12845	13.4
228.13124	1.2
245.19099	15.1
246.19409	0.9
271.16995	1.2
289.18100	62.4
290.18509	5.6
307.19141	66.2
308.19470	6.7
325.20203	23.4
326.20422	1.4
345.20547	0.8
499.30573	2.0
517.31989	2.9
535.32843	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	0.6
59.01239	2.5
61.98697	0.4
63.21621	0.4
67.01756	2.0
68.99703	0.5
69.03341	0.8
69.21212	3.8
71.01253	2.3
73.02829	0.7
81.03338	0.6
83.04879	0.7
85.02818	11.1
87.00739	3.6
89.02325	0.5
93.03331	11.4
98.19843	0.9
98.20498	1.0
99.04426	0.5
101.02333	0.7
107.04921	0.4
108.02057	1.9
109.02835	2.7
111.00780	0.7
111.04413	1.3
113.02333	0.6
121.02837	1.9
122.03613	0.6
124.01533	2.9
125.02358	1.2
126.03111	0.7
127.03928	2.6
129.01794	0.5
132.02048	1.3
133.02837	2.4
134.03638	4.6
135.04411	53.8
136.04842	1.7
137.02362	1.9
139.03815	0.5
150.03079	2.1
151.03918	5.6
153.36069	0.4
153.44522	0.4
155.03458	0.4
159.04416	0.5
160.01572	2.1
161.02423	1.9
162.03168	0.6
163.03951	1.0
169.36836	0.4
171.02945	0.7
172.05212	1.2
173.04459	3.7
174.03169	1.5
176.04671	0.6
177.01892	0.7
178.02577	0.8
179.03409	13.2
180.04103	1.5
183.04454	0.6
187.03967	1.2
191.05536	100.0
192.05885	3.6
197.05986	0.9
199.03947	0.8
200.04723	1.0
213.05580	0.9
215.05385	0.5
227.03430	1.0
228.04242	1.4
255.10257	0.8
271.13284	1.0
273.11176	0.6
278.55536	0.4
281.11829	2.1
282.09335	0.4
290.08072	0.9
297.11224	0.8
299.12845	6.8
300.13312	0.5
301.10760	0.6
306.07413	0.9
307.08160	1.7
308.09018	8.6
309.09558	0.6
315.12405	1.7
317.14044	1.4
325.10748	3.7
326.10995	0.5
343.11844	38.1
344.12228	4.1
351.07190	1.4
352.07928	6.6
353.08316	0.7
361.12997	0.9
512.52704	0.4
517.17383	0.9
518.40594	0.4
535.18152	7.8
536.18585	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	535.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	0.6
59.01245	3.5
60.99166	0.7
61.98697	0.4
64.95227	0.3
65.61050	0.4
67.01763	3.1
69.03328	1.2
70.47392	1.5
71.01243	2.9
73.02844	0.8
76.33104	0.4
81.03329	1.0
82.44975	0.4
83.04916	0.9
85.02822	9.0
86.00981	0.4
87.00747	5.9
93.03332	21.8
94.03659	0.7
95.04905	0.5
99.00829	0.4
99.04378	0.6
101.02322	0.6
108.02081	0.7
109.02818	3.3
111.00793	0.5
111.04408	3.3
111.98633	0.4
119.04929	0.6
121.02827	1.0
122.03703	0.5
123.04384	0.5
124.01518	2.1
125.02323	1.3
126.03121	0.8
127.03877	1.9
132.02054	3.1
133.02841	5.1
134.03616	4.0
135.04414	31.2
136.04697	1.0
137.02350	3.7
139.03900	0.6
145.02814	0.3
149.02356	0.8
150.03140	1.7
151.03912	4.5
155.03401	1.6
155.10677	3.4
158.03589	0.3
160.01567	6.9
161.02271	1.2
161.05832	0.4
163.03938	0.7
171.02930	0.5
172.05206	1.0
173.04471	24.0
174.03116	2.1
174.04575	0.6
177.01840	1.8
178.02666	1.8
179.03421	7.5
180.04141	0.6
181.05032	0.4
183.04414	0.8
183.10162	1.0
184.05214	0.6
187.03957	0.6
191.05536	100.0
192.05894	3.9
199.09644	2.0
200.04698	0.4
215.05609	2.2
227.03438	0.7
228.04289	0.9
255.10178	1.3
271.13388	1.8
281.11823	1.7
290.07913	0.6
299.12866	10.7
300.13013	0.7
301.10626	0.6
306.07635	0.4
307.08231	1.8
308.08963	6.3
315.12305	1.0
317.13898	2.7
325.10718	1.7
343.11832	18.2
344.12045	1.9
351.07196	7.5
352.07959	4.4
373.14966	9.8
374.15265	1.1
433.43057	0.4
505.17654	0.5
535.18176	14.1
535.30414	2.6
536.18280	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	535.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	2.4
58.00460	3.6
59.01248	73.3
61.21971	1.0
63.07395	1.1
67.01765	16.4
68.99681	13.6
69.03326	30.7
69.29341	5.4
69.29772	5.3
71.01252	66.9
72.00767	5.7
72.99186	3.9
73.02822	11.6
75.00729	2.4
81.03327	3.9
83.01260	2.3
85.02824	17.7
87.00308	1.1
87.00740	6.2
87.49247	1.2
89.02316	95.2
90.02641	1.4
93.03331	3.4
95.01258	7.4
95.04900	37.9
96.05247	1.2
96.95876	2.4
97.02829	2.3
99.04391	3.2
101.02323	62.6
102.02668	1.7
106.04122	1.5
108.02046	2.2
111.00761	23.1
113.02330	33.7
118.06515	1.2
119.03417	6.8
119.04935	2.5
121.02844	83.0
121.06467	6.5
122.03222	3.0
123.04399	24.0
124.03940	1.8
125.02338	3.6
127.03898	27.0
131.02484	2.1
131.03406	32.6
135.04480	1.6
136.01547	2.4
137.02341	1.1
137.05975	2.4
139.00270	16.1
139.01247	2.0
139.03871	3.4
143.03384	1.8
147.03496	0.6
147.04419	28.4
149.02361	4.2
149.04462	100.0
150.04744	1.7
151.03915	4.6
151.82881	1.0
161.04462	8.8
164.07079	63.5
165.05484	16.5
173.04483	2.0
179.06993	1.5
181.05008	3.8
181.08597	5.7
191.03754	2.4
191.05537	67.9
192.05893	1.5
209.04474	1.8
223.06079	11.1
228.10266	6.7
231.74419	1.1
241.06850	1.1
251.07678	4.5
252.10413	1.4
272.09335	7.0
280.13464	7.7
286.10696	2.7
297.11331	2.1
311.09756	3.0
312.16058	13.4
324.12396	1.7
356.14975	15.2
373.12906	2.5
398.47360	1.1
453.62814	1.4
455.24561	1.1
503.14081	36.6
504.13596	2.6
504.20029	1.8
506.60007	1.2
535.16663	35.0
536.21643	34.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	3.2
59.33963	0.5
59.69939	0.4
65.44287	0.4
67.01755	1.3
69.03323	0.6
71.01242	2.2
71.30471	0.5
71.30797	0.7
80.96384	0.5
81.03355	0.8
83.04900	0.7
85.02823	8.8
87.00746	3.3
93.03334	10.3
97.06430	0.4
99.04360	0.7
101.02353	0.5
101.86167	0.5
103.11195	0.5
107.04894	0.4
108.02050	1.8
109.02814	2.9
111.04406	1.9
121.02786	1.2
122.03602	0.7
123.00759	0.5
124.01557	3.8
125.02334	1.5
126.03100	0.7
127.03909	2.5
132.02026	1.0
133.02847	2.0
134.03658	3.3
135.04414	53.9
136.04805	2.0
137.02324	1.8
150.03128	2.1
150.22760	0.5
151.03908	6.0
159.04460	0.4
160.01579	2.7
161.02344	2.4
162.03175	0.5
163.03914	1.2
168.71690	0.5
171.04442	0.5
172.05228	0.9
173.04500	3.7
173.05867	0.7
174.03125	1.6
174.04567	0.4
177.01852	0.7
178.02664	0.7
179.03427	13.1
180.04108	1.4
181.04584	0.5
183.04515	0.7
185.06029	0.6
187.04042	0.6
189.05507	0.7
191.05536	100.0
192.05901	4.2
195.14516	0.5
200.04707	1.5
206.02005	0.6
215.05455	0.8
225.09198	0.5
227.03458	1.0
228.04201	1.9
231.79980	0.5
241.02319	0.4
255.10242	1.5
255.87762	0.5
271.13339	1.0
274.19733	0.5
281.11697	2.7
290.08020	0.8
297.11334	0.5
299.12839	7.3
300.13330	0.8
301.10614	0.6
307.08234	2.6
308.09021	9.8
315.12427	2.1
317.13934	1.9
325.10858	4.5
343.11847	39.2
344.12204	4.5
351.07260	1.9
352.07907	7.8
352.12012	0.5
353.08237	0.7
361.12924	1.0
419.25964	0.5
517.17383	0.5
535.18152	8.6
536.18488	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	533.312
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	1.4
59.01250	4.0
61.98685	1.4
64.74709	0.8
68.57993	0.8
69.03313	1.9
71.04910	1.0
71.06087	2.1
78.95784	3.8
80.02535	2.6
81.03329	3.4
83.04884	10.5
84.02045	1.9
93.03336	1.7
95.04908	2.3
97.02814	2.0
97.06479	3.8
99.04393	0.9
101.62028	0.8
107.04926	9.6
109.06464	3.9
110.03615	1.6
119.04992	1.2
121.02827	1.6
123.00753	1.1
123.04409	1.9
123.08035	1.9
125.02322	1.7
125.06030	4.2
125.09606	11.7
135.04408	1.1
135.08054	11.4
137.06061	1.4
147.04456	1.3
151.07584	0.9
152.99529	1.8
153.09128	9.8
154.82832	0.8
161.05995	1.1
161.09644	1.4
163.11214	11.4
163.32597	0.9
164.11461	1.2
165.12701	2.7
175.07558	1.1
176.08357	2.9
178.09908	2.5
179.10730	0.9
181.12265	2.5
185.11739	9.0
186.22469	0.8
187.09566	1.0
191.05511	3.5
191.10773	2.1
196.89429	0.9
197.11763	11.5
207.10211	6.4
209.11768	99.3
210.12109	6.6
211.13387	1.5
225.11299	8.9
227.12816	3.9
231.13902	1.3
236.10484	1.5
237.94246	1.0
243.17540	2.5
245.15398	1.4
253.10934	1.4
261.18576	3.9
269.15451	1.0
277.18140	1.7
279.19580	2.2
287.16614	10.2
288.16946	1.0
289.18076	3.1
305.17572	100.0
306.17911	9.3
307.19061	3.3
317.17596	2.2
323.18613	43.2
324.18982	3.8
327.19604	1.3
335.18445	1.0
345.20752	3.1
363.21805	1.6
365.27029	3.3
401.23364	1.4
419.24414	4.1
453.29547	1.1
497.29031	5.2
515.30078	21.5
516.30817	4.4
533.31384	11.8
534.31421	2.0
539.65863	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	0.6
59.01237	1.1
67.01745	0.5
70.37311	1.7
71.01235	1.0
83.04908	0.5
85.02301	0.5
85.02824	9.9
87.00745	3.2
93.03332	3.0
99.10260	0.4
101.02333	0.7
105.42137	0.5
109.02840	0.7
111.04393	1.2
127.03876	2.4
147.02750	0.6
173.04491	1.1
191.05540	100.0
192.05913	2.5
397.25357	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	1.7
59.01252	1.4
60.80767	0.6
61.98704	1.0
69.03329	11.5
71.01274	1.3
71.04895	2.3
71.32087	0.7
71.51167	0.8
78.95778	46.1
80.02570	0.8
83.04892	1.9
85.65215	0.6
95.04916	0.9
96.95886	1.7
96.96854	3.3
97.02848	1.3
97.06477	2.4
98.95467	2.2
108.02101	0.9
111.08053	1.1
116.92757	0.9
119.61150	0.7
121.06476	0.7
122.73869	0.9
123.08068	4.1
125.09599	6.0
135.04489	0.8
139.09813	0.7
142.41403	0.7
149.09621	1.2
150.97884	1.1
151.11198	9.3
152.99490	46.4
153.12735	3.5
153.99855	0.8
161.02452	0.7
161.09634	17.2
161.45511	0.7
165.12784	0.7
167.10660	0.7
171.00546	1.5
178.88362	4.2
179.10696	46.0
179.89192	4.4
180.11000	2.3
180.89909	6.4
181.12228	1.7
191.05583	1.5
196.89423	100.0
197.11771	40.5
197.89420	6.5
198.12041	1.7
207.13828	1.0
209.11728	1.1
211.05353	0.6
223.09749	3.9
241.10780	39.8
241.29372	0.8
242.11130	2.2
247.20689	1.9
291.19699	11.3
292.20038	0.7
305.24869	0.8
309.20706	26.9
310.21140	2.4
443.48691	0.7
471.31161	1.7
489.32294	1.0
515.30188	2.9
533.16687	6.6
533.31183	40.4
534.16528	1.4
534.31494	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	533.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03302	1.4
59.01250	13.5
61.98702	1.6
69.03306	2.5
69.14968	1.4
71.01255	1.4
71.04902	1.5
73.43685	1.2
78.95763	3.4
80.02538	3.2
81.03323	8.0
83.04897	6.1
84.02053	2.4
93.03324	1.6
95.04884	2.4
97.02837	7.4
97.06469	2.1
99.04372	1.5
106.04121	2.2
107.04913	2.6
109.05716	2.3
109.06472	48.1
110.03630	2.2
121.06477	4.3
123.04417	4.0
123.08096	2.8
125.09595	8.4
127.07491	1.9
135.08075	9.5
137.09631	2.7
137.17987	1.7
141.05463	5.3
142.02608	5.9
149.05984	1.8
152.99498	4.4
153.09093	10.0
161.09627	3.3
163.11180	23.7
165.09070	2.8
165.12714	1.9
171.10185	14.7
177.12672	1.5
179.10686	2.1
181.12263	10.9
185.11794	8.6
191.05551	3.2
191.14325	9.8
196.89423	1.4
197.11716	2.8
199.13289	1.5
207.10190	78.5
208.10524	5.1
209.11749	10.8
211.13274	2.4
225.11278	65.8
226.11662	4.0
228.08156	1.5
245.19072	25.4
271.17111	2.7
289.18091	81.7
290.18408	8.5
298.85345	1.3
305.17542	3.3
307.19138	100.0
308.19608	7.1
325.20193	35.1
326.20654	2.2
343.19150	2.4
365.26993	8.6
471.30707	1.5
497.29175	5.1
502.25961	1.5
515.30157	8.1
516.30609	1.6
533.30444	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50439	1.8
57.03326	2.5
59.01248	5.9
70.71201	4.6
70.71547	2.8
73.26224	2.1
78.95785	9.0
95.05010	1.8
96.95891	24.4
97.02838	4.0
105.16284	1.9
108.02047	12.7
109.02854	9.6
109.47709	2.0
118.00300	2.0
123.04385	3.4
125.09613	8.6
125.97673	1.9
135.08043	2.7
141.05473	5.6
141.12750	2.4
149.09663	2.3
152.99480	8.9
153.09148	11.1
163.11151	7.2
166.73488	2.2
167.10739	3.5
171.10181	18.0
177.12619	3.2
179.14371	3.6
181.12277	3.6
185.11780	8.3
191.14326	13.0
195.13860	7.9
197.11758	2.0
205.12270	6.2
207.10222	4.0
209.11752	5.9
223.13350	53.6
225.11264	4.8
245.19034	21.4
252.64763	2.0
277.21646	3.8
286.75128	2.1
289.14783	4.9
289.18066	94.9
290.18381	5.9
293.46887	2.7
307.19131	100.0
308.19482	9.5
325.20236	30.3
326.20346	2.8
360.29428	2.7
495.30936	3.2
513.32373	6.1
518.84106	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	533.0939
Annotation	2'-Hydroxygenistein 7-O-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
54.03242	0.6
59.01254	6.8
63.02253	1.2
65.80547	0.7
68.99685	0.8
69.03316	1.6
70.98183	0.8
71.01260	5.8
71.51366	0.8
72.99181	0.7
73.02819	1.3
77.25123	0.7
78.95756	0.9
83.01250	1.8
85.02814	4.4
87.00758	1.8
89.02323	3.8
93.03335	5.1
98.02352	0.9
101.02315	4.3
102.98512	0.8
104.88185	0.9
107.01269	2.1
109.02838	3.3
113.02336	1.9
117.01818	1.4
119.04975	0.8
120.99535	2.3
121.02835	1.7
123.04396	0.8
133.02861	5.0
134.03641	1.8
135.04422	6.0
138.43932	0.6
145.02834	1.0
149.02368	1.8
151.00285	5.0
153.05515	1.3
154.04790	0.8
155.03445	1.4
161.01001	1.0
161.02333	3.2
161.04437	1.1
168.00557	1.0
173.04425	3.8
175.03935	2.3
177.01945	1.3
179.03419	3.3
191.05550	24.4
192.05833	1.5
199.03920	2.1
205.04967	1.6
211.03960	1.2
217.05013	2.2
227.03462	1.6
239.03465	1.1
241.04999	0.9
250.63289	0.7
255.02966	2.0
256.03696	4.2
269.04538	1.1
283.02637	0.8
284.00052	2.0
284.03284	70.5
285.04041	100.0
286.04492	6.3
297.11206	1.3
327.05057	1.7
327.08646	1.9
341.10336	2.3
371.07465	1.7
429.14163	1.1
447.09402	1.2
489.10416	86.1
490.10684	9.4
533.12750	1.8
533.20880	2.2
538.31512	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27764	0.4
57.03321	0.8
59.01247	4.5
60.99171	0.7
61.98700	2.0
62.83788	0.4
64.42056	0.4
67.01754	1.8
67.39636	0.4
69.03324	1.4
69.27258	3.7
71.01255	3.7
72.99174	2.3
73.02811	1.0
78.95745	0.4
81.03326	0.7
83.04866	1.0
85.02823	10.1
87.00750	6.2
89.02311	1.2
93.03333	17.5
93.03932	0.9
94.03680	0.5
95.01238	0.5
97.06457	0.9
99.00781	0.5
99.04385	0.4
101.02319	1.8
107.04964	0.5
108.02051	0.5
108.30341	0.5
109.02828	2.8
111.00825	0.5
111.04411	3.7
113.02336	1.1
115.00317	0.5
117.01832	0.8
119.01279	0.7
119.04884	0.7
119.50238	0.4
121.02835	4.1
123.00754	0.5
123.04353	0.5
125.02317	0.8
127.03893	2.9
129.01854	0.5
133.02812	1.2
134.03677	0.6
135.04408	1.6
136.01486	0.6
137.02327	3.5
139.03894	0.9
147.00798	2.3
148.01558	0.9
149.02359	3.3
149.04399	0.6
151.03960	0.5
155.03389	0.8
155.10669	1.0
160.01472	0.7
161.02356	1.6
161.04486	0.6
161.05968	0.6
163.03946	0.8
165.01794	2.5
166.02675	0.6
166.17680	0.4
171.02856	1.0
173.00969	0.4
173.04472	9.9
174.04807	0.5
177.01820	1.0
178.02467	0.5
179.03464	0.7
191.05533	100.0
192.00580	1.0
192.05867	4.3
193.01347	0.7
217.52617	0.4
247.04575	1.7
269.52457	0.5
275.09268	0.5
307.08344	0.8
339.08746	0.7
351.07257	0.4
363.37494	0.5
369.09772	0.4
390.87488	0.5
433.98401	0.4
449.14481	0.9
465.14023	0.6
467.15390	0.5
481.17303	2.8
482.16797	0.4
531.17023	1.4
531.27539	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.302
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03304	1.0
59.01246	9.1
61.98698	2.6
71.01244	7.6
71.04882	0.9
71.51266	1.1
75.34353	0.7
78.95777	2.2
81.03335	1.3
85.02811	4.1
87.00746	3.5
89.02313	5.9
93.03329	10.2
101.02314	8.1
111.04371	1.6
113.02319	3.6
119.03349	1.9
121.10047	1.8
132.02034	1.2
133.02866	2.0
134.03627	1.8
135.04417	8.9
150.03168	0.8
160.01579	2.4
161.02316	1.3
161.04457	5.1
167.10709	0.8
171.10191	6.5
173.04443	5.4
179.03441	1.8
179.05435	1.2
191.05537	37.6
192.05826	1.7
195.13805	9.7
205.15793	0.9
215.05507	1.4
223.13321	4.9
253.09250	34.9
256.13101	1.5
275.20154	9.6
276.20554	0.9
292.19803	0.9
293.21213	100.0
294.21524	7.3
331.07397	1.0
337.14273	1.0
351.07156	1.9
435.98630	1.0
447.13330	3.6
529.20459	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	530.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62525	0.2
59.01247	5.6
60.01569	0.5
61.01680	0.4
61.98702	100.0
63.19409	0.3
71.01251	3.1
73.02820	0.8
85.02840	0.7
87.00758	0.4
89.02319	5.0
93.03356	0.4
98.20573	0.7
99.00744	1.2
101.02325	2.2
112.70314	0.2
113.02353	0.5
119.03401	0.5
119.04936	1.2
123.08057	0.3
127.61507	0.2
131.03394	1.1
135.04488	0.3
149.04466	2.5
163.03928	1.0
173.04527	0.6
191.05548	3.0
192.05960	0.4
203.22839	0.3
306.55435	0.2
506.71072	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3017
Annotation	Kukoamine A
Peak:m/z	Relative Intensity
52.41048	0.9
57.03315	2.7
59.01249	13.7
61.98711	1.6
71.01254	22.7
71.50964	1.0
71.51349	1.7
72.99174	6.7
73.02814	1.0
74.94984	1.0
75.00744	17.5
78.95770	9.5
83.01295	1.2
85.02822	28.0
87.00754	8.3
89.02338	5.8
95.01263	5.4
99.00740	9.0
101.02331	1.3
103.00249	2.8
113.02327	31.7
114.57835	0.9
115.00257	2.0
117.01822	2.5
120.19979	1.0
129.01813	1.6
139.00281	1.2
139.71333	0.8
146.57407	1.0
152.99504	4.0
157.01312	1.4
173.04506	1.1
175.02373	4.1
175.76508	0.9
184.73732	1.0
191.05537	9.5
205.07179	2.3
224.06816	2.0
231.05119	1.2
249.06091	8.3
255.23257	32.5
267.07193	8.3
277.21637	2.0
279.23273	75.7
280.23627	5.4
480.30975	17.1
511.29459	2.1
529.30212	100.0
530.30505	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	529.208
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66998	0.4
51.90525	0.4
57.03320	1.7
59.01254	2.2
60.99182	5.9
61.98706	6.1
65.03833	0.7
67.01764	14.7
68.02081	0.6
69.03323	4.2
71.01256	5.1
71.04887	0.5
71.50774	0.5
78.95779	1.8
81.03342	1.6
83.04919	2.7
85.02834	1.6
85.49546	0.4
87.00753	19.2
93.03338	100.0
94.03677	2.8
95.01286	0.5
99.00751	2.0
99.04417	2.0
100.82966	0.5
109.02856	1.4
111.04408	14.6
111.05151	0.9
113.02341	1.9
115.03896	1.0
127.03873	0.4
129.01843	2.2
133.02858	1.7
134.03636	14.7
135.04427	11.1
137.02341	1.3
143.03313	0.8
152.99507	1.9
155.03398	5.2
159.11768	0.6
160.01514	0.9
161.02373	0.7
162.03185	0.5
163.03896	0.4
173.04478	60.9
174.04805	2.1
177.01863	1.7
177.12790	5.2
178.02650	3.2
178.13165	0.5
179.03386	1.6
183.14029	0.4
191.05542	12.8
192.05942	0.5
193.06052	0.5
202.76811	0.4
215.05511	0.4
253.09169	0.5
293.21194	1.9
308.08963	0.6
337.14496	0.8
351.07300	2.5
352.08014	1.4
355.15497	11.8
356.15747	1.7
398.66870	0.5
464.28577	0.5
529.20807	29.9
530.21283	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	529.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.3
57.03323	0.4
59.00956	0.5
59.01252	9.0
61.98697	0.9
64.93885	0.2
67.01791	0.5
69.03320	0.9
70.86818	0.3
71.01253	5.8
71.50649	0.3
72.01608	0.3
72.99172	0.4
73.02812	0.8
78.95775	0.8
83.01234	0.8
83.76965	0.2
85.02814	2.6
87.00752	1.6
89.02319	5.9
90.75819	0.2
93.03343	3.6
95.01279	0.6
96.96813	0.2
97.02891	0.5
97.06516	0.3
101.02318	7.0
109.46952	0.2
111.04416	0.4
111.08022	0.4
113.02337	3.0
113.09566	0.4
119.03382	1.9
125.02236	0.3
127.03813	0.4
131.03375	0.3
132.02066	0.4
133.02817	0.4
134.03606	0.6
135.04402	1.7
143.03380	0.7
152.99490	0.7
160.01611	0.7
161.02484	0.3
161.04494	3.0
168.38875	0.3
173.04488	2.2
177.12756	0.5
179.05521	1.1
179.10640	0.3
179.14322	1.0
191.05542	10.3
192.05760	0.3
195.13853	8.1
196.14386	0.6
205.12230	0.6
205.15860	0.3
209.11726	0.3
223.13359	6.1
224.13800	0.5
228.13641	0.9
243.63904	0.3
247.90111	0.3
253.09264	30.7
254.09641	1.4
256.13129	1.3
265.21716	0.8
272.78439	0.4
275.20206	5.2
276.20459	0.5
293.21219	100.0
294.21579	8.9
351.06931	0.5
492.21918	0.6
529.20801	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.208
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45071	0.4
55.98924	0.4
57.03315	1.6
59.01250	2.3
60.99184	5.6
65.03812	0.6
67.01762	14.8
69.03326	4.0
70.02185	0.4
71.01253	5.5
71.04883	0.4
71.50488	0.5
72.97349	0.4
73.02837	0.5
78.95772	1.0
81.03323	3.2
83.04899	2.7
85.02822	1.6
87.00752	20.0
93.03336	100.0
94.03669	2.6
99.00746	2.0
99.04385	2.0
101.02286	0.5
109.02833	1.4
111.03635	0.7
111.04404	13.3
113.02363	2.0
115.03874	0.8
121.02856	0.4
124.01560	0.9
125.02312	0.5
126.03117	0.8
129.01828	2.6
133.02844	1.2
134.03639	10.9
135.04425	18.4
136.04788	0.8
137.02333	1.3
143.03423	0.9
150.03148	0.7
151.03922	2.7
155.03439	2.5
159.25439	0.4
160.01546	0.8
161.02365	0.6
162.03099	0.6
163.03821	0.6
173.04482	53.5
174.04800	1.6
177.01854	1.1
177.12791	3.0
178.02603	2.4
179.03395	3.2
179.41844	0.4
180.04161	0.7
191.05540	11.2
191.17952	0.4
192.05756	0.7
192.97722	0.4
193.85149	0.4
197.14551	0.5
209.11789	0.5
213.09219	0.4
215.05579	0.6
285.04092	0.6
285.36856	0.4
290.08063	0.6
291.19650	0.9
292.19968	1.1
293.20465	1.2
307.08212	2.0
308.09006	7.1
337.14404	0.7
341.83923	0.4
346.77484	0.4
351.07166	4.0
352.07953	6.7
353.08426	0.6
355.15622	2.1
529.20764	21.7
530.21008	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	529.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16303	0.4
57.03310	1.7
58.93529	0.4
59.01243	2.6
60.99175	5.7
61.98693	1.0
65.03835	0.6
67.01758	14.1
69.03323	4.2
69.85780	1.4
69.86192	1.0
71.01247	5.0
73.02834	0.5
78.95795	1.0
81.03329	2.6
83.04871	2.1
85.02819	1.5
87.00745	17.3
93.03333	100.0
94.03647	2.5
98.20533	0.5
99.00720	2.1
99.04391	1.2
101.02302	1.1
109.02814	0.8
111.00723	0.4
111.04398	13.8
113.02362	2.0
115.03905	0.8
116.97124	0.5
129.01819	2.8
133.02856	0.8
134.03621	9.8
135.04434	6.8
137.02309	0.9
143.03429	0.6
152.99471	0.6
155.03406	2.6
160.01599	0.7
173.04466	68.3
174.04869	2.2
177.01598	0.4
177.12761	2.2
178.02600	0.8
179.03429	0.8
191.05539	6.9
195.98856	0.4
209.11769	0.5
224.73372	0.4
253.09192	1.0
255.75250	0.4
293.21185	4.1
297.11072	0.5
308.08884	0.7
322.59943	0.4
337.14413	0.6
351.07248	1.4
352.07840	1.0
354.36780	0.5
355.15805	2.1
447.13394	0.8
456.29068	0.4
529.20789	35.1
530.21149	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	529.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	1.8
59.01244	1.4
60.99176	5.1
61.98719	0.5
65.03812	0.5
65.12105	0.4
67.01759	14.9
69.03323	4.2
69.18317	3.9
71.01256	4.9
71.04909	0.6
72.99176	0.5
73.02813	0.6
78.95782	3.3
81.03330	3.0
83.04906	2.5
85.02823	1.4
87.00750	19.6
93.03333	100.0
94.03660	2.9
99.00756	2.0
99.04388	1.5
101.02345	0.7
105.03328	0.4
108.02097	0.9
109.02809	1.2
111.04400	11.9
112.04742	0.5
113.02316	1.3
115.03914	0.6
122.01791	0.3
124.01543	2.2
125.02322	1.1
126.03111	0.6
127.03835	0.4
129.01825	2.1
133.02870	1.0
134.03625	10.3
135.04417	23.1
136.04724	0.7
137.02339	1.1
143.03433	0.5
148.99992	1.0
150.03134	1.1
151.03925	3.9
151.11145	1.1
152.99490	0.4
155.03346	2.3
160.01596	0.9
161.02393	0.6
162.03084	0.5
163.03925	1.3
169.12222	2.3
173.04468	48.6
173.74879	0.4
174.04855	2.1
175.68822	0.4
177.01814	0.9
177.12788	2.6
178.02631	2.0
179.03416	4.4
180.04121	0.9
191.05534	14.2
192.05885	0.6
209.11768	2.5
213.02100	0.4
213.11307	0.5
215.05551	0.8
226.06802	0.4
262.72092	0.4
275.73291	0.4
287.15109	0.4
290.07980	1.0
292.19965	0.6
293.20990	0.5
306.07477	0.5
307.08194	2.9
308.09003	10.2
309.09430	0.5
323.07584	0.5
337.14389	1.3
351.07220	5.8
352.07947	9.2
353.08664	0.6
354.95471	0.4
355.15451	1.6
447.07916	0.5
447.13461	7.4
448.13736	0.7
497.27423	1.2
529.12726	0.8
529.20758	15.8
530.21124	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	529.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	58.5
58.00462	1.7
58.03668	1.4
59.00955	2.2
59.01249	38.8
61.98692	1.8
67.01748	5.3
68.99684	18.2
69.03326	8.2
71.01251	26.8
71.31075	2.2
72.99189	1.3
73.02799	1.5
75.40563	1.1
81.03317	1.3
83.01249	1.6
83.04878	1.9
85.02822	5.3
85.06471	6.1
87.00740	2.7
87.33094	1.2
89.02316	43.0
89.14635	1.1
93.03326	11.1
95.01295	6.8
95.04902	2.4
97.06451	6.6
101.02322	100.0
102.02595	1.6
111.04385	1.7
113.02332	14.0
113.50976	1.3
119.03387	19.8
121.02827	12.2
121.06484	6.2
122.14738	1.2
123.04419	8.6
123.08033	4.2
125.05994	1.7
127.03857	9.3
128.33578	1.2
131.03374	2.7
131.07031	26.4
133.02797	2.1
134.03621	2.4
135.04463	6.5
137.02243	1.6
139.03888	1.5
141.05450	4.2
143.03374	4.8
147.08022	1.4
149.02382	8.8
149.04474	2.0
153.05466	11.6
155.03416	15.6
161.02373	2.6
161.04482	5.0
163.03922	4.6
163.07565	9.9
173.04446	4.7
173.05908	1.8
179.03448	3.8
179.05510	18.3
181.04974	4.6
191.05547	14.8
191.07121	2.0
193.04941	3.1
195.06563	35.4
203.10674	4.8
208.06833	1.4
225.07713	2.5
235.09705	14.6
253.10826	1.6
265.10825	11.6
297.09665	7.4
305.13879	5.6
323.14746	1.4
327.46219	1.2
335.11200	6.1
354.13687	1.5
370.25778	1.5
397.11160	1.6
412.54321	1.5
427.16132	2.5
467.18753	1.7
529.19220	97.4
530.19702	14.7
545.01501	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	529.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28732	0.2
54.62595	0.2
57.03302	0.2
59.01251	6.2
61.51618	0.2
61.98708	3.3
67.01755	0.7
68.99673	0.4
69.03319	0.9
69.81933	0.8
69.82366	0.5
71.01255	2.2
72.99181	0.7
73.02814	0.6
75.00734	0.8
78.47148	0.2
78.95756	0.3
81.03316	0.3
83.01260	0.3
83.04905	0.7
85.02824	10.3
87.00749	2.5
89.02316	1.4
93.03337	4.8
93.56003	0.2
94.03646	0.2
95.04913	0.3
98.19938	0.3
99.04378	0.4
101.02315	1.7
106.04047	0.2
109.02835	0.9
111.04398	1.6
113.02328	0.9
119.03412	0.3
123.08078	1.2
125.02299	0.4
127.03899	1.9
131.03384	0.3
133.02846	0.6
135.04422	1.4
137.02361	0.4
149.04520	0.4
149.05972	0.4
153.01753	0.2
155.03436	0.5
155.10678	0.3
161.02339	1.8
161.04474	0.3
165.50807	0.2
171.02911	0.6
172.05135	0.2
173.04485	2.9
173.05983	0.3
179.03453	0.7
187.03979	0.7
187.07539	1.6
191.05537	100.0
192.05894	4.3
202.06239	0.6
209.11894	0.3
211.04021	0.3
213.05606	0.2
215.07066	0.4
227.03409	0.3
249.09476	0.2
257.08099	0.3
279.10309	0.6
285.04178	0.2
309.14777	1.0
311.16492	0.6
337.14444	2.3
338.14685	0.3
353.08832	0.2
355.15561	0.8
384.96286	0.2
417.68472	0.3
434.90469	0.2
529.20514	0.8
529.27722	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18964	1.0
57.03325	72.5
58.00457	1.4
59.01251	40.4
61.98705	5.6
62.19201	1.0
67.01755	1.6
68.99688	11.8
69.03312	4.6
69.74860	1.9
69.75270	3.2
71.01255	31.7
72.83638	0.9
72.99199	1.5
73.02827	2.6
78.95792	1.3
81.03314	1.1
83.01257	1.3
83.04913	3.7
85.02805	5.5
85.06441	1.0
87.00764	3.5
89.02319	44.4
93.03344	10.3
95.01256	2.1
95.04912	1.6
96.96810	1.1
97.06499	1.8
98.02316	1.0
99.00732	1.2
101.02325	100.0
102.02638	1.3
103.76980	0.9
112.16324	0.9
113.02322	14.0
115.00253	0.9
119.03395	19.4
119.04890	1.5
121.02844	10.1
121.06487	3.3
123.04401	1.5
123.08041	4.3
125.02393	0.9
125.03516	0.9
131.03409	3.5
131.07068	5.7
133.02875	1.6
135.04436	5.5
139.03903	2.9
143.03418	5.7
147.04417	1.0
149.02364	6.9
149.04466	2.6
151.03854	0.9
152.75505	0.9
153.05469	7.8
155.03372	1.4
157.90594	0.8
161.02290	1.4
161.04454	4.8
163.03864	1.1
163.07585	10.9
166.86737	0.8
173.04475	4.9
173.05891	1.6
177.01830	1.8
179.03517	1.9
179.05534	17.7
179.07007	2.0
181.04987	5.6
182.61234	0.9
184.74890	1.0
191.05542	9.3
193.01311	1.8
195.06549	29.1
196.07004	1.2
203.10695	3.8
205.08687	1.0
215.06985	1.3
225.51797	1.2
235.09691	11.5
236.09950	0.9
265.10815	10.6
266.11069	0.9
290.88766	1.1
297.09763	1.8
305.13977	6.0
353.08804	1.1
367.06631	2.7
427.16135	3.1
467.19241	2.0
529.19135	28.4
530.19189	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	529.1352
Annotation	CHEBI:88343
Peak:m/z	Relative Intensity
59.01253	5.2
60.85427	0.6
60.99174	1.7
61.98700	3.4
67.01761	4.5
69.03317	1.5
69.25121	3.2
69.25548	2.5
71.01257	4.9
71.44732	0.5
73.02814	1.2
77.56393	0.5
78.95757	0.6
80.96375	1.0
81.03340	1.6
83.04910	1.5
85.02817	7.2
86.80412	0.5
87.00754	5.8
89.02323	1.3
93.03338	32.5
94.03673	1.1
98.19689	0.8
99.04385	0.6
101.02328	2.0
107.04907	0.7
109.02844	1.8
111.00744	0.7
111.04406	6.3
113.02342	0.7
117.03351	1.2
118.03676	0.5
125.02333	0.8
127.03912	2.1
129.01839	0.7
131.03453	0.6
133.02869	4.9
134.03664	10.3
135.04420	48.4
136.04744	1.5
137.02368	4.3
149.02342	0.9
149.06059	1.0
153.01732	0.7
155.03419	4.0
161.02365	9.0
171.02771	0.5
173.04475	57.4
173.11705	0.5
174.04810	2.6
177.01851	1.0
178.02579	0.7
179.03419	41.8
180.03722	2.5
182.00369	0.6
191.05540	100.0
192.05855	3.8
193.04968	5.8
194.05168	0.6
195.81610	0.7
203.03319	0.7
240.10229	0.5
271.02475	1.4
284.03189	1.5
285.03989	2.5
299.01907	3.2
314.04254	5.9
315.04895	0.8
329.06689	10.9
330.07056	1.0
331.07364	0.6
335.07690	1.4
349.09387	1.1
353.08762	35.4
354.09109	3.3
367.10318	26.8
368.10660	2.3
511.18594	0.6
529.14191	3.2
529.26587	1.3
529.66742	1.3
530.14600	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1562
Annotation	Pikuroside
Peak:m/z	Relative Intensity
51.22859	0.6
57.03314	0.7
59.01241	1.7
60.99177	3.4
67.01765	9.7
69.03336	3.3
71.01251	3.3
71.50375	1.0
81.03323	1.8
83.04910	2.0
85.02827	5.8
87.00751	11.4
93.03339	58.1
93.61408	0.6
94.03660	1.4
99.00758	1.6
99.04416	1.0
101.02306	1.0
101.05462	0.7
109.02843	1.1
109.45554	0.6
111.04404	7.9
113.02340	0.7
127.03880	2.1
129.01816	1.4
134.02649	1.3
134.03636	18.9
135.04422	0.9
137.02353	3.3
139.03891	1.1
149.06004	5.1
155.03371	1.7
173.04482	17.9
175.03967	0.8
178.02641	10.5
191.05547	100.0
192.05850	3.3
193.04985	19.9
194.05371	1.1
233.06378	0.7
358.66095	0.7
367.05695	1.0
367.10324	21.3
368.10803	1.5
409.11496	3.4
410.11868	0.9
526.20667	0.7
529.15625	67.4
530.15863	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	527.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97841	1.1
55.01757	2.8
57.03324	2.9
58.42016	1.1
59.01254	38.3
59.54310	1.1
61.98700	21.1
69.03326	2.3
70.71400	1.8
70.71780	2.6
71.01252	35.1
72.99203	2.4
73.02818	13.6
83.01265	5.4
85.02814	14.2
87.00754	2.8
89.02322	17.2
90.44335	1.2
93.03336	3.1
94.49870	1.2
95.01289	2.1
99.00768	4.6
101.02323	29.6
101.21832	1.1
105.70912	1.2
108.02084	1.5
111.00771	5.4
113.02315	11.9
119.03476	1.4
119.04991	2.4
121.02831	2.5
125.02362	2.9
131.03403	8.6
135.04420	2.3
137.02341	1.2
143.03394	2.4
149.04456	6.0
150.03120	3.0
152.01089	1.5
155.10655	1.4
159.02911	2.1
161.04475	7.2
163.03903	4.4
165.05481	2.9
191.05548	8.5
199.09650	1.8
233.06586	2.1
282.01694	1.3
335.20706	33.5
336.21069	3.9
336.24988	1.2
401.61008	1.4
467.24930	100.0
468.25500	11.6
527.17719	2.6
528.19916	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	528.266
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	33.9
61.98701	100.0
69.03325	12.3
69.19962	29.2
69.20380	5.8
71.01251	18.1
72.99135	3.2
73.02808	5.3
78.95760	3.3
81.96089	2.5
85.02812	9.7
85.06457	9.8
89.02320	7.8
93.03324	8.8
98.20566	6.9
99.00682	2.9
101.02315	17.7
108.02083	14.9
109.02827	12.6
113.02298	9.5
117.05482	3.5
117.41039	2.5
119.03326	5.7
121.02830	6.4
131.07042	59.3
135.04411	4.1
137.02403	2.9
142.15985	2.7
142.98642	3.2
146.02199	2.8
147.07973	4.4
149.04427	4.4
152.01027	12.8
153.01611	5.5
161.04424	3.4
163.55278	2.8
165.01976	3.2
173.04498	6.0
173.05904	4.8
180.95715	2.8
191.05527	24.0
191.06996	3.9
391.09009	3.1
397.11057	3.6
415.12683	6.4
465.27020	73.3
466.27301	9.1
506.26666	2.8
507.46753	2.8
528.21350	26.0
529.19598	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	527.213
Annotation	Dutasteride
Peak:m/z	Relative Intensity
50.33621	0.5
55.01734	0.6
57.03313	2.0
58.00453	1.4
59.01246	7.6
61.98703	12.5
67.01752	0.7
68.99683	1.3
69.03312	2.0
71.01251	4.5
71.50894	0.8
72.99162	0.7
73.02813	3.8
75.00758	0.5
76.57330	0.5
80.96391	1.0
81.03358	0.6
82.95946	0.7
83.01273	0.7
83.04907	1.1
85.02827	4.2
87.00742	1.2
87.04378	11.6
87.47900	0.5
88.08178	0.4
89.02318	1.8
93.03337	3.1
95.01247	1.0
95.04890	0.9
96.95892	0.7
97.02821	2.0
97.06473	3.1
99.00672	0.6
99.04396	1.2
101.02327	4.2
106.04109	1.7
107.04907	18.0
108.02058	7.5
109.02859	1.0
109.06482	1.0
111.04407	1.6
111.08062	0.6
113.02339	2.0
114.03097	0.6
120.99535	1.2
121.02840	3.6
121.06480	1.2
122.03671	0.6
123.04417	6.0
125.02299	1.1
125.05962	1.2
130.08636	1.5
133.02859	2.1
134.03612	1.5
135.04411	100.0
135.08043	1.9
136.04765	4.4
137.02377	1.4
137.05917	0.5
137.09618	7.4
139.03879	0.5
139.07553	2.0
141.05437	2.3
144.98157	0.5
149.02327	1.7
149.05975	0.6
149.09593	0.7
150.03133	3.2
151.03885	1.1
151.11166	1.0
152.01047	13.0
153.01701	0.6
155.10677	36.7
156.11046	1.6
161.02359	1.0
163.03883	1.1
163.11234	0.9
165.05473	4.3
165.09087	0.8
165.12762	0.6
165.44069	0.6
167.03412	25.6
167.10735	1.4
168.03799	1.2
169.12267	1.2
173.04488	1.3
177.01866	1.0
177.09265	0.8
179.03548	0.8
179.10699	3.9
181.08601	3.6
183.06566	2.0
191.05539	7.7
191.10727	2.8
192.05856	0.8
193.12300	0.8
195.10277	2.5
199.09688	30.2
200.10114	1.2
205.08643	0.6
213.11285	1.3
215.09137	1.0
223.09697	1.4
225.11348	0.8
237.11456	0.6
241.10767	9.5
242.11156	0.9
253.10622	2.5
255.12375	2.8
283.11865	17.7
284.12347	1.4
321.13550	0.8
335.57248	0.5
343.14026	9.2
343.17831	0.9
344.14642	0.7
349.05728	0.8
359.13562	1.9
394.66144	0.5
467.24887	1.7
500.85837	0.7
527.21558	48.5
528.21643	11.3
544.25201	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53106	0.6
58.00467	1.3
59.01251	100.0
60.01594	1.3
61.98707	1.8
66.83581	0.6
68.99688	9.8
69.03337	2.7
70.49402	1.8
71.01251	23.7
72.99190	2.1
83.01250	1.0
85.02820	4.6
87.00764	2.7
89.02319	29.8
90.02676	0.7
93.03340	2.4
95.01276	1.8
95.04898	1.5
97.06464	0.7
99.00777	1.8
101.02323	20.5
105.06990	1.8
111.04472	0.6
111.28854	0.6
113.02329	10.3
113.39150	0.7
116.98153	0.6
119.03387	13.2
121.02862	1.6
123.08042	8.8
131.03407	0.6
135.04431	0.8
143.03371	1.7
149.02364	1.3
149.04457	1.3
161.02414	0.9
161.04457	1.9
171.10245	0.9
173.04494	1.2
179.05557	3.5
181.04970	3.8
191.05534	11.0
191.07106	0.7
203.10786	3.2
204.11232	0.6
209.11786	0.8
230.93837	0.6
235.09712	7.0
236.10106	0.9
241.65799	0.6
283.13477	0.7
287.12988	1.8
300.02893	0.6
305.14059	2.3
369.18695	0.7
461.72632	0.6
520.77045	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	0.5
58.00475	1.5
59.01254	100.0
60.01587	1.0
67.01769	0.5
68.99694	10.0
69.03329	1.9
71.01257	23.0
71.06393	0.9
72.01624	0.4
72.99177	1.8
73.02837	0.4
79.05436	0.4
83.01283	0.5
83.96165	0.3
85.02831	3.5
87.00776	1.3
89.02321	35.1
90.02656	0.8
93.03353	0.7
95.01286	1.6
95.04921	1.0
97.06468	0.9
99.00754	2.1
101.02328	23.5
105.07008	1.6
107.04951	0.7
113.01534	0.5
113.02335	10.7
113.03072	0.7
119.03396	12.3
120.03713	0.5
121.02863	1.4
121.06495	1.2
123.08053	12.2
123.08926	0.7
124.08414	0.5
131.03424	1.4
135.04410	0.4
143.03389	2.5
149.02382	0.9
149.04459	1.0
161.04471	1.3
175.07623	0.9
177.05408	0.4
179.05556	3.7
181.05002	4.2
191.05560	1.0
201.20645	0.3
203.10733	5.7
203.12479	0.6
207.83441	0.4
223.06041	0.4
235.09715	8.0
255.10231	0.5
277.14862	0.4
287.12869	2.7
305.13937	3.1
467.19135	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55822	0.4
58.00468	1.4
58.69353	0.4
59.01254	100.0
60.01585	1.0
61.98726	0.6
67.01764	1.0
68.99690	8.3
69.03328	2.7
69.75755	2.9
71.01258	27.9
72.99190	2.4
73.02828	0.9
75.00732	0.4
79.05453	0.8
83.01285	0.8
83.40810	0.4
85.02833	3.3
87.00768	1.9
89.02321	33.6
93.03365	2.0
95.01295	1.2
95.04915	1.5
97.06487	1.1
98.20481	0.7
99.00775	3.1
101.02329	21.8
111.89911	0.5
113.02337	10.6
119.03397	13.5
121.02870	1.2
123.08055	14.5
123.08934	0.8
124.08395	0.5
131.03381	1.5
133.02827	0.7
135.04410	1.0
143.03404	2.3
149.02356	0.9
149.04501	1.1
161.02409	1.0
161.04526	2.1
166.73514	0.5
173.04524	1.8
175.07629	1.0
179.03439	0.5
179.05527	3.7
181.04979	3.9
191.05557	6.3
195.06593	0.5
203.10718	4.8
235.09744	7.9
255.10152	0.5
273.11417	0.6
287.12979	3.0
288.12988	0.5
297.53064	0.4
305.13919	3.6
527.19122	0.5
552.03766	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1901
Annotation	Physalin Y
Peak:m/z	Relative Intensity
55.38422	0.7
59.01241	3.8
61.98699	3.4
69.03338	1.1
71.01248	2.4
71.51313	0.9
71.51701	0.8
78.95770	52.9
80.74296	0.7
83.04893	0.8
85.02830	2.4
87.00758	1.2
89.02330	1.5
89.22240	0.6
93.03323	3.8
96.95911	0.7
96.96825	9.7
99.00775	0.8
101.02319	2.4
108.02069	0.9
109.02852	1.2
111.04414	1.2
113.02339	1.6
119.04913	1.9
121.02848	0.9
123.04404	1.0
125.02354	0.8
133.02863	1.7
135.04427	1.9
137.02354	0.9
137.09618	1.9
139.03949	0.7
150.03148	4.3
150.97885	0.6
151.03867	1.4
152.99484	79.4
153.99828	1.4
155.10678	2.2
161.02321	1.7
161.04544	0.6
163.03894	1.3
165.05469	2.4
171.00554	2.3
173.04486	2.4
177.01801	0.9
179.03391	1.7
181.08582	2.2
183.13841	10.3
191.05530	16.0
192.05908	0.7
193.12247	3.4
211.13333	93.5
212.13651	5.1
223.00060	9.5
241.01143	24.1
241.04857	0.9
259.02142	1.5
283.05960	1.0
285.04053	1.4
299.02075	1.4
300.06348	1.4
314.04059	0.9
315.04904	15.7
315.08493	1.6
316.05276	1.0
329.06650	2.8
333.06021	1.4
347.14981	4.3
353.13736	1.3
365.16101	1.4
417.99261	0.7
484.62668	0.9
527.18945	100.0
528.11469	0.9
528.19360	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	527.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09572	0.7
58.00459	1.7
59.01250	100.0
60.01603	0.7
61.98710	2.8
67.01777	1.4
68.82012	0.7
68.99689	12.2
69.03323	3.3
69.47396	5.1
71.01253	31.6
72.36314	0.7
72.99183	3.4
73.02842	1.7
75.00758	2.1
78.95777	1.5
81.58997	0.6
83.01264	1.6
84.14407	0.7
85.02831	5.8
87.00765	2.9
89.01762	1.8
89.02313	32.6
90.02636	1.1
93.03315	5.1
95.01285	2.5
97.02850	1.1
98.20547	1.1
99.00766	1.5
101.02322	32.2
113.02333	12.6
119.03387	13.6
119.04925	1.0
123.08037	16.1
125.02354	1.0
131.03427	2.3
135.04414	1.7
143.03439	2.7
146.03215	0.8
149.02351	1.1
149.04440	1.3
161.02373	0.8
161.04475	2.5
173.04520	2.5
179.03494	0.8
179.03993	1.0
179.05505	5.7
181.05031	2.4
191.05530	13.0
191.07137	1.0
202.47002	0.8
203.10646	5.9
235.09727	10.0
256.68317	0.8
285.04196	1.2
287.13077	2.5
305.14047	2.3
467.19492	1.1
507.44519	0.8
521.64270	0.8
527.18341	1.2
527.25116	2.7
528.19995	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2702
Annotation	Chlamydocin
Peak:m/z	Relative Intensity
50.72954	0.6
57.03305	2.0
59.01239	3.0
61.98703	1.8
67.01759	0.9
68.08225	0.7
68.99692	0.8
69.03329	8.2
69.21070	7.6
71.01251	2.7
71.04910	3.5
71.34888	0.7
78.95773	2.1
80.02560	1.0
81.03324	2.6
83.01240	2.3
83.04897	7.3
84.02043	1.7
85.02846	0.9
93.03339	1.0
95.04893	2.0
97.06454	1.7
98.19804	1.4
108.02013	0.7
108.05213	0.6
109.06477	1.3
109.59892	0.6
111.04426	1.3
121.54937	0.8
123.08044	3.2
125.05939	1.0
125.09600	7.3
133.02844	0.8
135.08017	1.1
149.09587	1.0
151.11195	6.0
152.99506	0.9
153.12744	1.4
161.02367	0.8
161.09637	9.5
163.11195	4.9
165.12744	3.3
171.10159	1.1
179.10693	30.9
179.13988	1.0
180.11041	1.3
181.12291	1.8
185.11772	1.4
191.05551	4.0
191.10680	2.6
197.11760	100.0
198.12090	5.5
207.10313	1.1
209.11763	76.3
210.11966	3.7
221.11739	0.8
223.09705	5.2
225.11279	2.2
227.11082	0.9
227.12866	10.2
241.10760	12.3
242.11108	0.9
257.84903	0.9
285.03973	1.4
289.18048	0.9
297.13367	7.1
311.22211	2.0
315.14465	21.6
369.67010	0.8
389.23453	1.7
407.16330	0.9
428.08878	0.8
469.46851	0.8
507.24863	3.6
524.30383	0.9
525.27039	86.6
526.27332	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	527.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04234	0.4
59.01242	1.9
61.98700	32.5
62.98388	0.5
63.96106	0.7
63.99100	0.4
67.81641	0.4
69.03331	0.9
69.53522	1.2
69.53947	1.8
71.01255	7.9
72.99166	0.4
73.02816	2.8
75.00719	0.6
78.98467	5.5
79.95127	0.5
79.95599	10.0
80.96388	59.3
81.03328	0.8
83.01286	0.6
84.22046	0.4
85.02850	2.6
87.00743	2.4
88.98662	0.8
89.02297	1.1
93.03353	1.0
94.97958	14.4
95.01291	0.5
96.95878	0.9
97.02837	1.8
101.02328	4.2
104.66738	0.5
106.97958	3.4
108.97945	0.4
109.02856	0.6
111.27866	0.4
113.02322	0.9
119.04933	1.0
121.02797	0.4
122.97455	5.3
123.04392	1.8
125.02339	4.5
127.03886	1.1
134.97470	5.6
136.99036	1.7
148.99048	5.8
150.03122	1.0
152.98538	7.7
164.98534	12.6
165.05441	0.9
167.00011	0.7
173.04544	0.5
182.99599	2.4
191.05617	2.3
206.71918	0.4
206.99623	2.6
209.11768	3.3
211.98618	0.4
221.63075	0.5
225.00700	23.2
226.00989	0.9
243.01808	2.3
299.04385	3.1
312.35699	0.4
317.05313	0.5
404.09134	0.4
408.93552	0.4
527.17987	100.0
528.18384	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	525.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89365	0.5
59.01252	1.8
61.98694	0.8
71.01250	0.7
71.50578	0.6
75.00766	0.5
78.95778	1.0
85.02818	0.8
87.00755	0.7
88.58182	0.5
89.02306	0.7
92.49966	0.4
93.03336	1.5
96.95854	0.5
98.38395	0.4
101.02316	0.8
107.04954	0.6
108.02053	1.3
109.02824	1.0
111.04405	0.8
118.24731	0.5
119.05789	0.5
121.02862	3.9
122.03638	10.6
123.04453	0.7
124.01587	0.8
134.03642	9.9
135.04431	5.3
137.02354	2.1
137.06012	1.5
146.03653	11.3
147.04335	1.3
149.05991	17.1
150.03136	1.2
150.06300	0.4
154.02644	1.8
154.90471	0.5
161.05980	7.1
162.03168	3.3
163.03877	0.6
164.04704	8.0
165.05493	21.1
166.06276	7.5
167.07057	100.0
168.07381	4.2
177.05508	2.6
179.07063	38.0
180.07414	1.8
191.05540	3.2
193.08659	1.9
195.06445	0.8
207.08949	0.4
221.06145	0.6
221.08191	8.5
222.40718	0.5
239.09254	2.1
263.49469	0.4
263.77917	0.5
315.12427	9.5
316.12756	0.7
327.12375	4.4
345.13300	3.3
363.14505	6.2
367.50815	0.5
380.12463	0.5
525.21686	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	525.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.6
57.03312	0.6
58.00455	0.4
59.01249	13.7
59.71003	0.4
60.01572	1.3
61.01658	0.5
61.98706	5.0
67.62368	0.4
69.03327	1.7
71.00888	0.8
71.01248	6.7
72.99202	0.5
73.02814	6.2
75.00738	0.8
78.42464	0.4
78.95760	0.4
83.01278	0.8
83.04915	0.5
85.02816	3.8
86.03156	0.5
87.00756	1.5
87.04380	7.3
89.02314	3.3
93.03313	2.3
95.01303	0.7
96.95873	0.9
97.02825	1.9
97.06472	1.4
98.20618	0.8
101.02311	5.9
102.02665	0.8
105.01839	0.5
106.06542	0.4
107.04929	1.1
108.01980	0.4
109.06489	0.7
110.43356	0.4
111.04394	0.4
113.02341	2.0
115.03914	1.0
116.57065	0.4
119.04913	100.0
120.05231	4.1
121.02863	0.7
122.06004	1.4
125.02343	0.9
125.05972	20.1
126.06295	0.5
127.03951	0.5
135.04407	2.9
137.02327	1.4
137.09647	1.0
139.07555	1.8
143.07033	14.3
144.07344	0.7
145.02829	0.7
149.02373	0.5
149.04491	0.5
152.01019	0.4
152.07080	2.3
153.07381	1.0
155.03374	0.6
155.10687	7.1
156.10991	0.7
157.53127	0.5
161.02361	0.7
161.04491	0.7
163.03915	70.1
164.04260	3.3
165.05450	1.0
165.08937	0.4
166.02652	0.6
166.06259	1.9
169.12260	1.0
173.04498	2.1
179.03458	0.6
179.10634	0.5
181.04895	0.7
181.08624	1.4
185.08101	1.9
191.05551	7.5
192.05881	0.7
193.97797	0.5
199.09714	2.4
213.11256	0.6
217.10736	4.2
222.37923	0.4
240.04202	2.2
241.10718	3.0
255.06752	0.5
259.11865	1.9
265.05154	0.5
282.05295	0.5
283.11115	0.8
284.11148	1.5
298.08508	1.4
301.12912	1.9
313.10898	4.4
314.11548	0.5
315.07367	0.5
325.09402	0.4
326.11566	1.1
329.06668	0.5
343.11813	1.1
361.15063	5.5
361.29184	0.6
362.15353	0.7
362.29846	2.0
437.20502	0.8
449.18912	1.1
451.16235	0.6
465.22836	0.8
477.19250	2.0
481.21439	0.6
493.18326	2.4
505.88672	0.5
507.18680	0.4
524.35291	7.1
525.19873	39.1
525.35413	5.9
526.20068	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	525.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	0.5
60.33162	0.4
63.15190	0.4
70.99525	1.4
71.01254	0.9
81.73769	0.5
84.61304	0.4
86.85747	0.5
93.03318	0.8
96.43716	0.5
107.04915	0.9
108.02036	1.1
111.04367	0.6
121.02843	7.7
122.03622	12.2
124.01604	0.6
134.03627	21.4
135.04413	7.4
137.02336	0.9
137.06004	1.3
146.03633	17.7
147.04359	1.5
149.02347	0.8
149.05977	27.5
150.03105	6.9
150.06296	1.1
154.02634	0.9
161.05991	10.0
162.03183	0.7
162.06335	0.6
164.04695	9.8
165.05478	22.3
166.06261	14.1
167.07043	100.0
168.07372	4.0
177.05493	0.9
179.07048	43.1
180.04166	0.5
180.07401	2.1
191.05527	0.7
193.08745	0.7
195.06531	1.0
220.59682	0.5
221.08130	7.2
233.98087	0.5
239.09203	1.4
312.10037	0.7
315.12363	14.0
316.12918	0.9
327.12323	4.4
329.12476	0.6
345.13419	4.3
363.14456	6.3
477.17410	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	1.8
61.98691	2.2
69.03307	0.6
69.65061	3.1
71.01246	1.6
72.99207	0.5
78.95762	1.3
85.02814	1.6
87.00771	0.7
93.03337	3.7
93.06145	0.5
101.02305	0.6
121.02821	3.5
122.03625	7.9
124.00104	0.4
130.27629	0.5
133.01511	0.4
133.02835	1.5
135.04387	1.2
136.01556	0.6
149.02339	11.8
150.03130	55.1
151.00243	0.9
151.03481	2.2
160.01401	0.5
161.02345	7.3
164.04688	1.8
165.05482	62.0
166.05786	2.8
173.04436	1.7
180.04187	4.3
183.04449	0.7
185.02374	1.8
187.00305	0.6
191.05562	6.0
195.06555	31.5
196.06883	1.4
199.03920	1.0
203.03398	3.3
215.03487	0.5
226.02676	1.2
227.03424	8.5
228.03891	0.6
229.01225	0.7
242.02161	1.3
243.02907	2.0
245.98242	0.6
268.03802	1.0
270.01639	2.5
271.02454	17.6
272.02789	1.2
276.02396	0.5
283.06024	0.8
285.04062	8.6
286.04370	0.9
297.04218	0.8
299.01962	47.8
300.02322	5.1
311.05569	1.8
313.03546	10.6
314.04294	41.7
315.04736	4.0
328.05942	2.3
329.06650	100.0
330.06995	10.0
433.09177	0.6
477.11972	5.9
478.12354	0.9
525.14032	2.9
525.25830	0.8
525.34412	0.9
526.14063	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.14
Annotation	CHEBI:67643
Peak:m/z	Relative Intensity
59.01251	3.5
61.98690	1.4
67.01762	0.4
69.03330	0.7
70.27512	1.2
71.01236	1.1
78.95756	1.0
84.39653	0.4
85.02855	1.1
87.00745	0.5
90.19980	0.4
93.03333	2.7
101.02354	1.0
106.18710	0.4
109.02865	0.7
119.04922	0.6
121.02853	2.2
122.03631	6.5
123.04449	0.7
133.02855	1.0
134.03674	0.6
135.04398	1.3
137.02371	0.5
149.02345	10.5
150.03130	48.4
151.00244	0.8
151.03461	1.2
152.99570	0.5
155.03374	0.7
160.01521	0.5
161.02370	6.8
164.04707	1.5
165.05479	59.0
166.05846	2.6
173.04480	1.4
179.03418	0.8
180.04193	3.6
185.02357	1.6
191.05545	5.6
195.06546	29.6
196.06886	2.2
199.04025	0.9
203.03439	2.6
226.02673	1.2
227.03430	8.4
228.03789	0.5
229.01384	1.4
242.02141	0.7
243.02933	1.8
255.02879	0.6
268.03580	0.6
270.01672	3.9
271.02463	17.1
272.02841	1.2
281.04434	0.7
282.05334	0.5
283.02545	0.5
284.03278	0.9
285.04041	8.2
286.04562	0.7
299.01953	45.8
300.02301	3.6
313.03516	11.1
313.06912	0.9
314.04291	40.2
315.04657	3.5
323.54242	0.4
327.05246	1.0
328.05875	1.4
329.06647	100.0
330.06982	7.9
363.57996	0.4
458.00174	0.5
525.13794	2.1
525.26257	1.1
536.39154	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1045
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	0.4
61.98706	100.0
65.85648	0.2
71.01260	0.4
93.03325	0.3
101.02374	0.3
117.61086	0.3
122.06007	0.4
122.19735	0.2
124.07705	0.3
127.93600	0.3
135.04419	0.9
152.07114	0.9
179.03419	0.6
190.26025	0.2
191.05551	0.7
192.07843	0.3
225.11276	0.3
229.56778	0.2
239.11874	0.3
242.74777	0.3
244.90054	0.2
255.02951	2.7
283.02533	1.7
283.11017	0.7
284.03253	0.6
298.04993	0.7
299.05664	0.5
348.20001	0.3
439.58011	0.2
446.08432	1.2
448.18845	0.4
461.10953	6.3
462.11487	0.6
492.17627	1.5
523.35065	0.4
524.20782	0.4
537.08405	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.105
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68755	0.2
51.56300	0.2
55.26403	0.2
59.01255	0.4
61.98705	100.0
62.98396	0.3
78.95775	0.2
119.04928	0.4
123.04477	0.2
125.28383	0.2
163.03934	0.3
167.03462	0.5
173.04520	0.2
191.05618	0.6
209.11819	0.2
259.32999	0.2
263.13220	0.2
277.80734	0.2
284.03137	0.3
285.03604	0.3
286.03964	0.3
287.04221	0.3
299.05563	0.2
300.06076	0.3
301.05984	0.2
302.06729	0.3
525.17828	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23829	0.4
57.03312	0.7
58.00464	0.7
59.01249	31.1
60.01586	4.3
61.01669	3.5
61.98700	24.4
63.96113	0.6
69.03328	1.6
71.01250	5.2
72.99181	1.0
73.02816	4.3
75.00731	0.5
78.98463	1.4
83.01290	0.6
85.02824	4.8
85.99986	0.6
86.03111	0.8
87.00739	1.6
87.04382	1.0
89.02319	1.1
93.03315	1.8
94.03699	0.4
95.01280	0.8
95.04904	0.6
95.59122	0.5
99.00713	0.4
99.04357	0.5
101.02312	2.0
108.02058	0.8
111.04316	0.5
121.02842	4.7
122.03732	2.8
123.04496	0.8
131.03418	0.5
132.02042	1.8
133.02859	14.1
134.03104	5.2
135.04355	0.5
147.04445	1.1
149.02344	32.4
149.05960	2.6
150.03117	25.8
150.06320	1.4
151.03490	9.3
153.01805	0.8
155.10692	1.8
161.04550	0.4
163.03847	1.0
164.04695	8.2
165.05470	20.6
166.05893	11.1
167.03244	0.5
167.07027	2.5
173.04285	0.5
180.04210	1.4
181.04619	0.5
181.08624	5.6
182.09010	2.2
191.05475	1.8
195.06566	8.4
196.06895	5.3
199.09650	0.8
211.13152	0.4
222.53844	0.5
234.33037	0.5
269.09290	1.5
271.09332	0.6
283.09705	0.7
284.09998	0.6
312.12418	0.6
313.12793	1.2
314.11694	1.7
315.12079	4.3
316.12704	1.5
327.14444	6.9
328.14795	10.8
329.13907	3.5
330.14236	6.3
333.19119	0.7
343.11722	1.3
437.20383	0.6
462.20477	0.5
463.21066	0.9
464.21512	4.5
465.23648	3.3
475.19653	11.5
476.20056	100.0
477.20294	9.7
524.22125	7.1
525.16223	2.7
525.21954	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	523.3486
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79834	0.3
55.01752	3.2
57.03327	4.2
58.00478	1.5
59.01251	32.6
61.98705	3.7
69.03315	1.1
69.26611	2.3
71.01254	38.7
71.04905	0.3
72.01585	0.6
72.99168	2.3
73.02820	9.4
75.00758	0.8
81.03329	0.4
83.01257	5.2
83.01720	0.4
83.04877	0.3
85.02824	17.5
85.99973	0.3
86.03184	0.3
87.00751	2.7
87.04391	0.9
89.02319	12.8
93.03325	2.1
95.01258	3.9
97.02834	0.8
97.06468	0.6
99.00761	3.8
101.02323	23.3
102.02643	0.4
107.04874	0.4
108.02073	0.3
109.02830	0.6
111.00760	1.8
113.01532	0.7
113.02330	14.7
113.09578	0.4
114.02708	0.5
115.00241	0.5
115.03886	0.4
119.03392	5.5
119.04900	4.1
120.05238	0.5
120.99551	1.3
122.06010	0.4
123.08047	0.7
125.02374	0.5
127.11253	0.3
129.01819	1.0
131.03413	0.4
135.04407	1.0
137.02344	1.3
137.09648	0.3
141.09122	0.4
143.03404	1.0
145.02838	0.4
146.03612	1.7
149.04474	0.5
153.01871	0.7
153.09105	0.5
155.03487	0.3
155.10670	1.0
159.02910	2.4
161.02368	0.9
161.04488	5.7
161.05844	0.6
163.03923	3.6
164.04477	1.0
165.05473	0.3
169.12196	0.3
171.13849	0.9
173.04515	1.2
175.02490	0.4
179.03520	0.5
179.05547	1.0
179.07097	2.3
181.08682	0.3
187.13332	0.6
191.05525	7.1
192.05885	0.4
195.06517	0.3
199.09688	0.5
201.14922	1.1
216.57854	0.3
237.05562	0.4
237.18533	0.5
240.04221	2.6
247.09624	0.4
255.06648	0.4
265.05240	0.3
283.06107	1.2
298.08395	2.3
298.11246	0.4
313.10815	5.0
314.11115	0.5
315.25470	0.7
321.07703	0.5
327.21716	0.5
343.11975	1.0
344.11520	0.3
345.26410	0.9
359.13870	0.3
359.28113	1.3
361.29581	21.3
362.29980	2.3
463.21909	0.5
491.01306	0.3
513.13855	0.4
523.34851	100.0
524.18384	0.7
524.35168	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	523.2677
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09753	0.3
57.03325	0.7
59.01244	1.4
61.98698	0.5
66.20158	0.3
71.08669	0.6
78.95773	8.6
83.04906	0.4
96.96842	0.9
97.06437	0.3
97.28133	0.3
99.90724	0.3
103.06841	0.3
113.09614	3.1
124.71926	0.3
152.99490	11.4
157.00824	0.3
171.00552	1.6
177.12738	0.6
179.14264	1.1
181.12292	0.4
186.55974	0.3
195.13838	19.2
196.14206	1.1
216.65141	0.3
227.03226	1.2
233.22740	0.4
245.04295	2.2
259.20432	0.3
277.21722	15.4
278.22003	1.4
295.22775	100.0
296.23117	8.7
478.26166	0.4
490.28021	0.4
523.26752	48.0
524.27136	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3485
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63787	0.3
55.01762	2.3
57.03327	3.4
58.00459	1.5
59.01249	27.8
61.98690	0.9
66.97084	0.4
68.99719	0.5
69.03305	0.9
69.20223	4.0
71.01251	34.5
71.14968	0.3
72.01598	0.8
72.99167	2.3
73.02818	7.2
75.00750	0.9
78.95776	0.4
83.01253	5.2
83.04916	0.4
85.02819	14.9
86.03191	0.5
87.00741	2.4
87.04400	0.7
89.01756	0.7
89.02316	14.2
93.03336	1.6
95.01254	2.5
97.02833	0.8
98.20564	0.8
99.00757	3.3
101.02322	23.0
102.02679	0.4
103.38309	0.4
111.00750	1.3
113.02332	12.8
119.03384	4.5
119.04860	0.6
122.05962	0.4
123.08020	0.5
125.02307	0.4
129.01808	0.6
130.68118	0.4
131.03403	0.6
135.04408	1.5
137.02336	0.8
143.03413	1.4
153.09079	0.8
155.10664	0.5
155.68655	0.3
159.02936	2.4
161.02385	0.6
161.04459	5.9
171.13780	1.0
173.04482	1.1
179.03421	0.6
179.05496	2.0
187.13281	0.7
191.05515	6.2
192.05949	0.4
199.09612	0.4
201.14836	1.6
205.03557	0.4
217.14513	0.5
315.25363	0.9
319.98538	0.4
359.28128	2.0
361.29562	23.9
362.29898	1.9
437.97632	0.4
523.34839	100.0
524.35211	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	523.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
57.16536	1.2
59.01252	16.4
60.99166	1.3
61.98693	4.0
62.44808	1.2
65.50812	1.2
67.01751	5.9
69.03333	2.3
71.01254	17.0
73.02808	4.5
83.01222	1.8
83.04875	1.8
85.02807	5.6
87.00758	2.5
88.98658	1.4
89.02316	13.0
93.03335	33.6
98.19796	3.1
99.00731	2.8
101.02312	12.5
109.02780	2.4
111.00771	1.5
111.04408	6.2
113.02315	4.4
117.85850	1.2
119.03381	2.4
121.02819	1.5
127.03883	1.8
131.03413	2.1
135.04362	1.8
137.02322	5.7
137.09622	1.8
149.02399	2.3
149.04407	5.1
150.03142	1.5
155.03401	5.2
155.10687	10.6
160.05162	2.5
161.04475	1.9
165.05481	2.0
173.04468	100.0
174.04752	3.8
177.01976	1.5
183.37939	1.3
187.13316	12.3
191.05513	16.3
192.05977	1.4
199.09665	8.6
301.12961	1.5
327.14877	1.4
329.13791	2.3
330.14301	2.0
331.14331	2.8
331.17731	3.1
349.18661	43.5
350.18930	3.6
361.15918	3.0
433.17004	3.0
463.21780	18.8
464.22052	2.7
475.19809	3.2
523.24127	25.2
524.24359	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	523.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17576	0.3
55.01755	0.9
56.02606	0.2
57.03323	1.4
58.00457	0.9
59.01250	100.0
60.01591	1.1
61.98685	1.8
67.83778	0.2
68.99670	0.4
69.03331	0.6
71.01253	16.0
72.01581	0.3
72.99184	1.1
73.02826	3.5
75.00748	0.4
83.01256	2.0
85.02823	6.6
85.99977	0.3
87.00753	1.6
87.04389	0.6
89.02319	6.6
93.03333	0.9
94.19141	0.2
95.01277	1.3
97.02848	0.7
98.19799	0.8
99.00756	1.4
101.02317	10.3
109.02837	0.3
111.00769	0.7
113.02316	5.4
119.03387	3.5
119.04907	1.1
122.06010	2.2
129.01894	0.3
131.03421	0.5
135.04433	0.7
137.02301	0.7
137.05620	0.3
143.03398	0.4
152.07082	2.7
159.02910	0.5
161.02350	0.6
161.04463	2.4
163.03920	1.3
165.05452	0.3
171.47427	0.3
173.04472	1.4
175.87987	0.3
179.03386	0.5
179.05582	0.5
179.07040	0.5
187.13322	3.0
188.13652	0.3
191.05540	2.7
195.06598	0.6
201.14842	0.4
229.58426	0.3
239.11919	0.6
241.04752	0.3
283.10965	1.9
284.03189	0.3
285.04007	0.5
295.10861	0.5
315.25507	0.3
331.17606	0.4
341.11069	0.3
343.28531	0.5
349.18619	2.2
359.27927	0.9
361.29562	9.8
362.29898	1.1
412.72336	0.3
448.18738	1.2
463.21851	12.7
464.22369	2.1
492.17715	2.3
523.18298	1.1
523.34839	42.8
524.20361	5.3
524.35089	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	523.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.3
57.03326	1.3
58.00461	0.8
59.01251	100.0
60.01587	0.9
61.98705	2.4
68.99670	0.2
69.03330	0.6
69.26385	0.7
69.26813	1.3
71.01254	16.8
72.01581	0.2
72.99191	1.1
73.02818	3.8
75.00739	0.5
83.01269	2.4
85.02823	7.1
87.00761	1.5
87.04403	0.4
89.02319	7.2
93.03346	0.7
95.01265	1.3
97.02862	0.5
98.20618	0.5
99.00771	1.5
101.02323	11.0
102.02710	0.3
109.02835	0.4
111.00774	0.7
111.04418	0.3
112.22369	0.2
113.02324	6.8
119.03394	3.2
119.04890	1.6
122.06013	1.5
125.02356	0.5
131.03404	0.4
134.05997	0.3
135.04408	0.6
137.02350	0.6
143.03418	0.5
152.07074	3.3
153.09116	0.2
159.02933	0.9
160.03926	0.3
161.02376	0.5
161.04431	2.0
163.03883	1.5
165.05487	0.3
171.13815	0.4
173.04507	1.1
177.01828	0.3
179.03369	0.5
179.05548	0.6
179.07053	0.4
181.04848	0.2
187.13339	2.9
190.05005	0.3
191.05542	3.3
195.06541	0.2
201.14874	0.8
239.11812	0.7
240.04269	0.3
283.10883	1.5
285.03882	0.3
295.10870	0.8
298.08502	0.4
313.10919	0.8
332.11386	0.2
332.76498	0.2
345.26392	0.4
349.18744	1.6
359.28091	0.8
361.29593	10.1
362.29868	0.7
448.18701	1.1
463.21832	13.3
464.22067	2.1
479.18872	0.2
492.17978	1.5
506.17404	0.3
523.18811	1.2
523.34857	46.5
524.20343	5.2
524.35126	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	523.239
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	91.2
59.37614	4.6
62.39038	5.3
69.28192	49.1
69.38934	5.1
71.01251	72.2
73.02803	23.0
73.27470	6.2
85.02826	9.4
89.02307	93.8
93.03326	9.8
99.00755	26.6
101.02331	55.3
109.02803	5.7
113.02346	22.1
119.03390	10.5
121.02843	16.5
122.03637	18.4
124.54075	5.9
131.03389	13.4
138.63835	6.4
147.04399	11.9
149.04478	32.5
161.04504	5.7
165.05487	48.6
173.04474	21.4
174.04759	7.6
175.04927	10.8
179.07033	15.2
187.13313	5.8
191.05482	15.7
194.44263	6.1
213.14558	5.3
265.38397	5.7
346.14252	19.2
349.18399	10.1
351.92630	6.6
361.16568	100.0
362.16931	13.3
463.21890	49.4
523.23749	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	523.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	2.7
58.00467	1.8
59.01249	57.7
61.98709	11.2
67.01745	3.3
69.03332	2.0
71.01254	54.7
72.99174	5.4
73.02817	12.8
75.00745	3.8
79.30666	1.8
81.30498	1.6
83.01247	6.2
83.04906	1.7
85.02824	17.7
87.00748	6.8
88.98663	4.5
89.01763	2.0
89.02316	39.8
93.03325	5.3
95.01244	3.0
96.54469	1.4
97.02839	2.8
99.00755	6.8
101.02312	39.9
101.02927	3.1
108.02055	10.8
109.02879	9.9
111.00762	6.1
113.02323	16.4
119.03390	8.8
121.02833	7.0
122.03601	6.1
123.04406	13.4
125.02311	4.4
131.03394	8.4
135.04436	7.8
136.01540	3.3
137.02322	3.7
137.09598	9.7
143.03403	2.0
146.03645	9.6
147.04404	6.4
149.02339	8.9
149.04437	12.1
149.05832	2.4
150.03104	3.1
151.03847	7.4
152.99339	1.7
155.10678	85.6
156.11008	4.7
161.02367	2.1
161.04449	11.0
161.05994	5.2
163.03946	3.1
164.04753	8.0
165.05455	17.6
166.06163	2.0
167.03448	1.9
173.04460	5.7
177.05476	2.7
179.03427	4.0
179.05609	3.1
179.07036	19.7
181.08647	5.0
183.10097	1.8
191.05527	24.4
193.66243	1.6
195.06667	2.4
199.09686	56.0
200.10034	2.1
209.11789	6.0
227.12727	1.9
229.43686	2.3
232.29988	1.5
241.10701	3.5
253.10938	1.9
293.08475	1.8
306.50830	1.8
331.17816	10.7
343.11584	2.7
343.14627	9.9
346.14224	5.0
361.16547	50.6
362.16821	5.2
400.42999	1.8
405.17459	4.9
451.29080	2.1
454.45154	1.9
463.21799	55.7
464.22125	5.5
505.17355	2.1
523.21198	100.0
524.21606	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88614	0.4
55.96732	0.4
59.01250	100.0
60.01589	0.6
61.98704	20.8
64.67213	0.4
66.46507	0.4
66.91664	0.4
69.03324	0.9
70.42259	1.7
71.01246	2.4
73.02816	5.0
82.62917	0.4
85.02811	1.2
87.00756	0.9
87.04404	3.1
89.02310	0.8
93.03339	1.2
95.04897	0.8
97.02823	1.1
97.06473	5.6
101.02320	2.5
109.02834	0.6
111.04400	0.6
113.02349	0.9
115.03891	0.9
119.04915	56.1
120.05257	2.3
121.06450	1.5
122.02311	0.4
122.03620	0.5
123.04409	3.7
125.06026	0.5
135.04419	1.0
137.02309	0.7
139.07518	1.6
141.05473	5.7
146.03607	2.8
151.03876	0.7
151.11194	0.5
152.01039	0.5
153.05350	0.6
153.09169	0.8
155.10635	2.7
161.05986	1.1
163.03915	51.0
164.04398	2.8
165.05431	1.8
171.10175	0.6
173.04462	0.8
177.01811	1.9
179.07013	5.6
183.06607	0.9
191.05542	3.4
199.09735	2.2
215.09238	2.2
241.10660	0.8
257.10062	0.5
275.27274	0.4
283.11758	1.3
284.03299	0.7
285.03592	0.5
286.03897	0.8
299.05603	0.5
299.11249	0.6
300.05872	0.9
301.06119	1.7
325.10681	0.6
334.38367	0.5
354.96072	0.5
359.13455	5.1
361.29935	0.6
449.14401	1.7
523.18115	19.0
523.34747	3.7
524.18536	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	523.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	2.7
58.00467	1.8
59.01249	57.7
61.98709	11.2
67.01745	3.3
69.03332	2.0
71.01254	54.7
72.99174	5.4
73.02817	12.8
75.00745	3.8
79.30666	1.8
81.30498	1.6
83.01247	6.2
83.04906	1.7
85.02824	17.7
87.00748	6.8
88.98663	4.5
89.01763	2.0
89.02316	39.8
93.03325	5.3
95.01244	3.0
96.54469	1.4
97.02839	2.8
99.00755	6.8
101.02312	39.9
101.02927	3.1
108.02055	10.8
109.02879	9.9
111.00762	6.1
113.02323	16.4
119.03390	8.8
121.02833	7.0
122.03601	6.1
123.04406	13.4
125.02311	4.4
131.03394	8.4
135.04436	7.8
136.01540	3.3
137.02322	3.7
137.09598	9.7
143.03403	2.0
146.03645	9.6
147.04404	6.4
149.02339	8.9
149.04437	12.1
149.05832	2.4
150.03104	3.1
151.03847	7.4
152.99339	1.7
155.10678	85.6
156.11008	4.7
161.02367	2.1
161.04449	11.0
161.05994	5.2
163.03946	3.1
164.04753	8.0
165.05455	17.6
166.06163	2.0
167.03448	1.9
173.04460	5.7
177.05476	2.7
179.03427	4.0
179.05609	3.1
179.07036	19.7
181.08647	5.0
183.10097	1.8
191.05527	24.4
193.66243	1.6
195.06667	2.4
199.09686	56.0
200.10034	2.1
209.11789	6.0
227.12727	1.9
229.43686	2.3
232.29988	1.5
241.10701	3.5
253.10938	1.9
293.08475	1.8
306.50830	1.8
331.17816	10.7
343.11584	2.7
343.14627	9.9
346.14224	5.0
361.16547	50.6
362.16821	5.2
400.42999	1.8
405.17459	4.9
451.29080	2.1
454.45154	1.9
463.21799	55.7
464.22125	5.5
505.17355	2.1
523.21198	100.0
524.21606	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	0.8
58.00451	0.9
59.01252	14.3
69.28987	7.6
71.01254	12.8
73.02823	3.6
74.14081	0.8
83.01254	1.0
85.02818	2.8
87.00753	1.0
89.02310	13.5
93.03334	3.3
95.01247	1.1
98.11467	0.8
99.00751	4.9
101.02319	8.0
109.02840	5.8
113.02292	2.3
116.63976	0.7
119.03357	1.7
121.02836	19.6
122.03628	18.5
123.04408	3.1
124.01566	2.2
131.03348	2.5
134.03574	1.1
134.49132	0.8
135.04391	2.4
136.01465	0.9
136.05223	2.0
137.02336	3.5
146.03560	1.0
147.04419	8.6
148.05153	1.1
149.04457	7.1
149.05948	1.6
154.02621	1.7
155.10698	1.0
161.04631	0.9
161.05997	3.6
163.03865	1.2
165.05482	32.3
166.05849	1.5
173.04475	1.5
178.06200	1.0
179.07048	10.7
187.13332	0.9
191.05505	2.5
223.09656	1.6
247.63373	0.9
313.14493	1.7
315.12442	1.7
346.14224	12.2
349.18552	1.9
361.16553	100.0
362.16876	11.5
463.21896	12.4
464.22342	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	523.2183
Annotation	Mascaroside
Peak:m/z	Relative Intensity
50.05514	0.3
51.86560	0.4
53.40298	0.3
55.01759	2.3
57.03311	1.7
58.00448	1.3
59.01248	24.3
60.01569	0.4
61.98689	0.4
69.03320	0.6
69.33272	2.0
69.33698	1.4
71.01252	20.4
72.99171	1.4
73.02818	5.0
75.00741	0.5
81.03346	0.4
83.01265	3.3
83.04913	0.5
85.02818	8.8
87.00760	2.2
89.02313	9.0
93.03329	1.4
95.01282	1.9
97.02812	0.6
97.24583	0.4
98.19851	0.8
99.00760	2.1
101.02321	15.0
108.02042	0.7
109.02839	4.3
111.00727	0.8
111.04388	0.6
113.02340	6.1
119.03407	3.7
119.04882	0.8
120.99091	0.4
121.01965	0.6
121.02840	12.2
122.03629	11.1
123.04384	1.6
124.01533	1.3
125.02315	0.5
129.03378	0.8
134.03642	0.9
135.04410	2.2
136.05228	0.8
137.02332	3.3
137.09647	0.9
146.03624	1.0
147.04411	7.5
148.05110	0.6
149.02330	1.3
149.04459	0.4
149.05959	1.6
150.03082	1.3
151.03447	0.5
153.01692	0.4
154.02623	1.4
155.10678	6.5
156.11040	0.4
159.02821	0.5
159.04352	0.4
160.05217	0.5
161.02431	0.4
161.04562	1.0
161.06020	2.4
162.06679	0.7
163.03893	1.1
164.04666	1.3
165.05475	25.3
166.05826	1.3
166.11394	0.4
169.45857	0.4
173.04521	0.8
173.05910	0.7
174.06734	0.6
175.07552	1.1
177.05441	0.6
178.06213	0.6
179.03537	0.4
179.05557	0.8
179.07031	7.3
191.05486	2.0
191.07111	1.8
193.08545	0.6
199.09668	4.1
205.08609	0.4
209.08171	0.7
215.32233	0.6
223.09668	0.6
230.13257	0.4
241.10808	0.5
298.12137	1.0
313.11002	0.8
313.14438	2.2
315.12350	1.6
316.13016	1.2
317.13519	0.5
327.11975	0.4
328.12891	1.8
329.13672	1.4
331.11911	0.5
343.11963	0.5
343.15521	5.4
344.15967	0.8
346.14194	8.6
346.18243	0.7
347.14758	2.4
348.15201	0.5
361.16537	88.9
362.16858	8.9
463.22031	1.0
475.18793	0.6
523.21777	100.0
524.22144	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	523.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	1.2
57.03323	0.7
58.00463	1.6
59.01253	22.3
59.47302	0.6
61.98693	1.7
62.47010	0.7
69.03327	1.0
71.01253	17.4
72.99179	1.8
73.02804	4.3
75.11167	0.8
85.02827	3.4
87.00787	1.1
87.04381	0.7
89.02312	14.6
95.01244	1.2
97.02834	1.7
98.19862	2.3
101.02323	13.0
108.02087	1.0
109.02795	0.7
112.36675	0.8
113.02341	7.2
119.03387	6.7
123.04379	1.1
125.02361	1.9
131.03377	1.4
135.08040	1.2
137.09621	10.6
143.03432	2.5
146.03622	0.9
149.04488	1.8
155.10678	100.0
156.10963	4.2
164.04652	0.9
165.05458	0.9
169.12245	0.9
173.04405	0.9
179.05499	2.8
179.06989	1.9
181.08630	3.0
191.05499	4.8
199.09682	65.9
200.10042	2.9
213.11307	0.9
214.13396	0.7
241.10780	3.8
253.10745	2.3
271.11749	1.4
273.54355	0.8
334.21582	0.9
343.14001	15.8
361.16241	3.3
400.67365	0.8
405.17645	1.4
463.22070	3.7
519.02264	0.8
523.20294	67.3
524.20575	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	523.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39931	0.7
52.83178	0.6
57.03319	1.0
58.00470	1.1
59.01252	11.9
69.03339	1.0
69.36996	6.2
69.42941	0.7
71.01260	11.9
73.02831	3.3
85.02833	3.0
87.00771	1.1
87.04376	3.9
89.02322	7.2
91.46313	0.6
93.03326	1.6
93.51934	0.7
95.01276	1.0
101.02321	8.5
109.02824	0.9
113.02335	3.0
116.69281	0.7
125.02338	1.7
131.03360	0.9
135.04413	1.6
135.08032	1.9
137.02344	1.5
137.09612	13.4
139.11249	0.7
149.59184	0.6
151.00307	0.7
151.11200	0.7
155.10683	100.0
156.11020	5.3
161.04562	0.7
161.05891	0.6
169.12279	3.5
173.04491	4.6
179.03368	0.7
181.08633	4.3
191.05498	1.6
199.09689	78.9
200.10013	4.3
213.11311	2.9
219.75508	0.7
241.10789	20.3
242.11168	0.7
270.08542	0.8
271.11874	5.8
272.12292	0.8
292.16180	0.8
299.05582	0.8
301.03632	0.7
301.12909	21.0
302.13248	1.7
329.13885	1.3
330.14224	1.1
331.14374	2.0
343.14017	2.2
349.18680	1.3
361.15027	46.9
361.56943	0.7
362.15356	5.2
366.27536	0.7
388.49750	0.7
429.88419	0.7
463.09064	0.7
493.19925	1.3
505.19443	1.8
523.20270	45.8
524.20636	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	523.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68567	0.4
53.10161	0.4
55.01754	0.6
57.03313	0.9
59.01249	12.9
61.98707	10.0
68.99677	0.4
69.03329	1.1
71.01250	7.3
71.51436	0.7
72.99159	0.9
73.02818	6.5
81.03340	0.5
83.01267	1.0
83.04890	0.4
85.02814	4.1
87.00770	1.0
87.04379	2.5
89.02335	3.2
91.05441	0.6
93.03333	3.3
95.01283	0.9
95.04896	1.9
97.02843	1.5
97.06470	7.6
99.00754	1.2
100.64311	0.5
101.02313	4.3
106.46126	0.4
108.02130	0.5
109.02866	1.0
109.06499	0.8
111.04408	1.3
111.08016	0.7
113.02341	2.8
114.31598	0.4
115.03901	0.4
119.04916	100.0
120.05239	3.2
121.02832	0.8
121.06445	2.8
122.06017	1.2
123.04406	4.9
133.02856	0.6
135.04422	2.7
137.02350	1.3
139.00247	0.5
139.07509	1.4
141.05467	6.7
143.03374	0.5
145.02818	0.4
146.03662	0.6
152.07074	1.4
153.01799	0.5
153.05414	0.6
153.09094	1.4
155.10724	0.6
161.02347	1.8
161.04474	1.2
161.05969	0.4
163.03920	58.1
164.04243	2.9
165.05487	2.3
167.07025	0.9
173.04485	2.0
179.03419	2.0
179.07079	1.3
183.06537	1.7
187.13158	0.5
189.01808	0.7
191.05547	8.2
195.10237	0.7
195.15956	0.5
215.09187	2.9
224.09056	0.4
240.04211	1.5
257.10376	0.7
283.06024	0.6
283.10831	1.6
295.10812	0.6
298.08459	0.8
299.11426	0.8
313.10583	1.3
343.11877	0.6
349.18454	0.9
359.13397	4.6
361.16385	1.0
361.29562	1.9
446.36835	0.5
448.18851	0.6
449.14420	0.7
462.20682	0.7
463.21155	3.7
475.18442	0.5
492.17798	1.7
505.17422	0.5
523.18146	19.8
523.34747	9.5
524.18573	3.1
524.25238	0.5
524.35126	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1824
Annotation	Verbenabraside B
Peak:m/z	Relative Intensity
57.03324	0.7
59.01250	70.1
61.98703	29.1
69.03325	0.8
71.01251	4.0
71.51589	1.1
72.99183	1.3
73.02818	8.7
73.03135	0.7
77.76631	0.7
80.04540	0.7
83.01258	1.2
85.02818	1.8
87.00735	0.8
87.04394	3.0
89.02336	1.4
93.03338	2.8
95.04923	1.5
97.02833	1.6
97.06466	9.7
101.02347	2.1
108.02043	1.7
109.02829	0.8
110.03638	0.7
111.04424	1.9
113.02366	0.9
117.31649	0.6
119.04914	100.0
120.05239	3.5
121.06499	2.7
123.04398	5.8
135.04414	1.7
137.09604	1.2
139.07561	2.0
141.05473	8.5
146.03625	7.9
153.09091	1.3
155.10716	5.2
161.04570	0.7
161.05981	1.7
163.03922	68.6
164.04599	6.1
165.05464	1.9
173.04501	0.9
177.01837	3.8
179.07069	11.9
183.06511	1.2
187.81349	0.7
191.05551	6.1
195.10214	0.8
199.09755	5.2
215.09195	3.9
241.10799	1.0
245.92429	0.7
257.10117	0.9
283.11758	2.5
284.03195	0.9
286.03818	1.1
294.21524	0.9
301.06198	1.1
343.14078	1.1
359.13504	6.8
449.14102	1.3
492.17834	1.1
500.24084	0.8
523.18018	24.2
523.34637	4.4
524.18036	4.5
524.92517	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92273	1.4
53.60967	1.3
59.01254	13.3
59.46785	1.4
61.98683	1.7
68.99672	3.1
69.03326	2.8
69.53947	9.1
69.54359	2.8
71.01251	12.3
72.99198	2.7
74.85178	1.3
75.00749	5.2
85.02817	5.0
86.35346	1.3
87.00777	3.0
89.02320	10.0
93.03337	2.1
95.01247	1.4
96.95892	2.7
97.02841	1.8
98.02386	2.1
101.02320	8.9
108.02073	3.4
109.02820	6.0
111.00751	1.8
113.02341	3.4
119.03404	1.9
119.04908	6.9
121.02858	3.7
122.03560	1.4
123.04402	3.2
125.02398	1.5
129.03357	10.4
134.03639	14.7
135.04413	3.8
136.01581	3.7
137.02345	8.3
145.02837	3.2
146.03642	23.4
147.04427	64.6
147.05605	3.3
148.04755	2.7
149.02374	4.3
149.05986	22.7
150.03120	11.7
151.03903	16.0
153.05482	3.4
155.09492	1.4
155.10649	1.7
159.04436	2.2
161.05988	14.7
162.03094	2.1
163.03944	26.3
164.04691	28.5
165.05478	100.0
166.05797	4.7
177.05490	3.6
179.03540	1.9
179.07057	68.7
180.07407	3.4
181.04958	12.2
182.05756	6.0
183.06557	4.1
191.05446	6.7
191.07014	1.7
195.06502	3.2
219.06595	7.6
267.06546	2.7
268.07333	6.7
271.33032	1.6
272.07092	1.4
280.07318	1.4
283.09729	15.9
301.10840	1.8
313.10895	30.0
325.10815	9.3
327.10806	3.8
331.08160	1.8
331.11807	16.1
343.11844	13.0
344.11215	2.2
361.12833	21.5
362.13150	2.5
363.48120	1.6
394.62634	1.5
463.21875	2.3
505.17511	2.0
523.19751	3.4
523.27124	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	523.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92273	1.4
53.60967	1.3
59.01254	13.3
59.46785	1.4
61.98683	1.7
68.99672	3.1
69.03326	2.8
69.53947	9.1
69.54359	2.8
71.01251	12.3
72.99198	2.7
74.85178	1.3
75.00749	5.2
85.02817	5.0
86.35346	1.3
87.00777	3.0
89.02320	10.0
93.03337	2.1
95.01247	1.4
96.95892	2.7
97.02841	1.8
98.02386	2.1
101.02320	8.9
108.02073	3.4
109.02820	6.0
111.00751	1.8
113.02341	3.4
119.03404	1.9
119.04908	6.9
121.02858	3.7
122.03560	1.4
123.04402	3.2
125.02398	1.5
129.03357	10.4
134.03639	14.7
135.04413	3.8
136.01581	3.7
137.02345	8.3
145.02837	3.2
146.03642	23.4
147.04427	64.6
147.05605	3.3
148.04755	2.7
149.02374	4.3
149.05986	22.7
150.03120	11.7
151.03903	16.0
153.05482	3.4
155.09492	1.4
155.10649	1.7
159.04436	2.2
161.05988	14.7
162.03094	2.1
163.03944	26.3
164.04691	28.5
165.05478	100.0
166.05797	4.7
177.05490	3.6
179.03540	1.9
179.07057	68.7
180.07407	3.4
181.04958	12.2
182.05756	6.0
183.06557	4.1
191.05446	6.7
191.07014	1.7
195.06502	3.2
219.06595	7.6
267.06546	2.7
268.07333	6.7
271.33032	1.6
272.07092	1.4
280.07318	1.4
283.09729	15.9
301.10840	1.8
313.10895	30.0
325.10815	9.3
327.10806	3.8
331.08160	1.8
331.11807	16.1
343.11844	13.0
344.11215	2.2
361.12833	21.5
362.13150	2.5
363.48120	1.6
394.62634	1.5
463.21875	2.3
505.17511	2.0
523.19751	3.4
523.27124	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	521.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32127	0.5
55.01745	2.1
57.03321	2.8
58.00460	1.2
59.01251	39.5
59.53302	0.4
60.01597	0.5
61.98687	0.6
69.03320	1.0
71.01254	34.6
72.01579	0.8
72.99187	2.7
73.02826	5.4
75.00730	0.6
78.64792	0.4
83.01263	3.8
83.67426	0.5
85.02821	12.6
87.00750	2.9
89.01757	1.0
89.02316	19.2
93.03347	1.3
95.01253	2.8
97.02819	1.2
98.10913	0.5
99.00778	3.2
100.12547	0.4
101.02324	22.4
102.02637	0.7
107.43584	0.4
111.00749	1.6
111.04431	0.6
113.02333	13.0
119.02573	0.8
119.03384	9.7
119.04787	0.6
123.08005	0.5
125.02276	0.6
127.11151	0.7
131.03380	1.4
137.02412	0.5
137.84094	0.5
143.03381	1.7
149.04434	0.9
150.16425	0.4
152.07109	1.1
155.10667	2.1
159.02901	1.4
161.04460	5.9
173.04428	0.8
174.56914	0.5
178.08806	0.5
179.05540	2.5
191.05542	5.0
201.14885	2.8
229.25391	0.6
230.15190	0.6
281.09268	1.1
284.03253	3.7
285.03705	0.6
299.05621	5.6
300.05881	0.7
322.61292	0.5
357.09241	0.6
359.28030	24.3
360.28378	2.5
446.17084	1.6
490.16461	0.6
521.33289	100.0
522.18549	0.9
522.33606	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	523.182
Annotation	gelsemiol-6'-trans-caffeoyl-1-glucoside
Peak:m/z	Relative Intensity
50.12619	0.5
53.26192	0.5
59.01255	4.5
61.98705	9.0
67.01750	0.7
69.03336	1.2
71.01264	3.9
71.51196	0.7
73.02837	1.1
75.00771	0.5
78.95781	0.5
79.95621	0.7
80.96392	4.2
81.03343	0.8
82.91726	0.5
83.04885	0.5
85.02814	2.5
87.00792	0.9
87.04417	1.4
89.02326	2.0
93.03330	4.9
94.98010	0.8
96.95918	0.6
97.02862	1.0
101.02346	2.1
107.04918	1.2
108.02058	6.4
109.02834	4.0
111.04391	1.3
113.02335	0.9
117.03373	0.6
119.04915	2.7
123.00823	0.6
125.02343	1.2
133.02869	1.2
134.03627	3.6
135.04420	100.0
136.04732	4.1
137.02348	1.1
137.09653	1.2
145.02843	2.9
146.03606	1.6
149.05847	0.6
152.01071	5.8
153.01851	2.5
155.03387	0.7
155.10684	4.7
161.02380	0.9
163.03931	4.5
163.22461	0.5
164.04671	2.0
164.98546	0.9
167.10667	1.2
173.04477	16.0
174.04803	0.8
177.01830	0.6
178.02444	0.6
179.03426	89.3
180.03752	4.9
181.08655	0.7
182.70262	0.6
191.05547	12.2
192.05943	0.7
199.09698	8.2
200.10014	0.8
213.05685	0.6
225.00609	1.1
225.05513	1.0
226.05928	0.5
240.07822	0.6
241.10732	2.1
253.10852	0.6
271.09790	2.5
283.11880	4.3
287.22232	2.6
299.04211	0.7
343.13937	4.4
361.29562	0.9
475.13922	1.1
523.18048	20.8
523.34711	3.7
524.18353	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	521.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69106	0.9
57.03327	1.3
59.01254	4.4
60.01563	0.9
61.98697	1.7
71.01265	1.9
71.42936	1.9
73.02376	0.8
73.89585	0.9
76.74694	1.0
78.95769	31.5
85.02823	1.2
87.34891	0.9
89.02303	2.0
95.04951	1.0
96.96844	3.9
97.06470	2.3
101.02297	1.7
120.05706	1.0
123.22275	1.0
125.09620	1.4
137.09648	1.0
149.28140	0.9
150.97914	1.0
151.11180	15.3
152.99490	58.0
153.09090	1.1
153.99809	8.5
154.99913	1.5
169.12253	95.8
170.12604	4.0
171.00592	2.2
171.10220	1.2
181.34648	1.0
185.11775	3.2
191.05481	1.1
191.14352	2.5
197.11740	1.0
207.10121	1.6
209.11801	1.6
213.11269	100.0
214.11592	5.6
245.19125	5.2
284.03259	1.5
289.18085	25.0
290.18381	2.8
293.21185	2.9
296.25888	1.0
297.26218	1.0
299.05542	1.0
307.19128	29.9
308.19525	2.7
309.20660	1.6
325.20129	4.2
339.65591	1.0
341.25272	1.0
361.54205	1.1
433.23581	3.0
434.23788	12.6
435.24042	1.4
521.32031	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	521.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47750	1.6
57.03337	2.0
58.00482	2.9
59.01252	95.4
61.98698	6.3
68.06126	1.7
69.03322	5.0
69.37643	7.7
69.38072	8.4
71.01252	74.0
72.99181	4.5
73.02816	6.6
77.75656	1.7
81.03336	2.7
85.02830	17.8
87.00765	7.2
89.02319	82.2
93.03333	7.9
95.01279	2.2
97.02843	2.8
98.19855	4.0
99.00744	2.4
99.04378	2.6
101.02318	24.9
111.00713	3.4
111.04428	2.4
113.02338	15.5
119.03396	6.1
123.04330	2.4
125.02333	16.6
129.70183	2.1
131.03403	23.9
134.03682	2.9
135.04446	4.5
137.02373	2.6
139.03854	1.9
149.04454	42.4
167.10681	100.0
168.11099	4.4
173.04497	5.7
177.01826	7.1
179.03419	1.8
187.03958	1.7
191.05551	55.6
192.05936	3.3
193.04942	2.1
233.06676	4.5
283.13394	2.5
284.03360	3.4
293.08792	54.4
294.09100	3.5
299.05560	4.0
360.60867	2.0
384.41098	2.2
521.32690	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	521.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	4.1
58.00482	4.4
58.36068	3.3
59.01247	61.7
61.98694	5.2
62.14178	3.1
68.99693	3.4
69.03333	4.3
71.01250	55.5
71.51460	3.5
72.99155	5.1
73.02823	9.2
81.03329	5.8
83.01271	4.0
85.02825	24.4
87.00723	12.0
89.02312	60.0
93.03333	19.2
97.02830	5.3
99.00742	10.3
101.02345	23.9
111.04355	4.6
113.02332	8.2
114.82850	3.2
118.81798	3.2
119.03419	3.5
121.02840	3.6
123.04354	5.6
125.02367	15.6
125.03120	3.6
127.03889	5.9
129.01805	3.3
131.03400	5.4
135.04378	7.1
137.02321	4.2
149.04468	33.0
153.05481	3.5
167.10693	10.6
173.04539	7.4
173.43048	3.2
183.31680	3.6
187.03917	5.6
191.05537	100.0
192.05832	12.6
200.08200	3.4
209.11705	7.2
233.06593	5.5
249.06158	4.9
283.13397	5.5
284.03217	4.0
293.08679	24.9
299.05392	4.8
311.09918	3.7
493.24478	5.6
520.72485	9.9
521.23572	14.7
521.33258	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	521.2518
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63351	0.5
57.03315	3.9
59.01242	2.9
59.26266	0.4
63.79009	0.4
66.79491	0.5
78.95769	9.2
80.53297	0.4
81.96066	0.4
96.96810	0.6
97.06465	1.1
98.20597	1.0
109.06452	0.7
113.09604	17.5
133.05045	0.5
135.04404	0.5
139.11205	1.0
141.09123	0.5
149.09683	0.5
150.98021	0.5
152.99478	12.3
159.67177	0.5
162.06761	0.5
167.10701	2.4
171.00510	1.6
171.10159	1.0
176.04774	0.5
177.12804	0.9
179.10706	1.7
191.05545	1.0
195.13885	2.9
227.03169	1.0
245.04370	2.5
249.22154	2.2
275.20203	2.2
293.21207	100.0
294.21533	8.9
329.93173	0.5
352.15082	0.5
521.25159	35.0
522.25446	5.5
522.32281	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	5.1
60.38503	0.8
60.87763	0.9
61.98688	1.4
69.19057	4.9
69.19479	4.9
70.55176	0.9
71.01292	1.0
78.95317	1.3
78.95775	26.5
90.14064	0.8
93.03323	3.3
96.96853	1.5
98.19776	1.6
101.02339	0.8
113.09603	1.8
115.73477	0.9
121.10170	1.2
135.04419	1.1
144.55556	0.8
152.99495	25.9
168.04219	1.4
171.00542	3.1
171.10152	3.0
173.04451	1.3
179.14290	1.7
191.05545	5.1
192.05734	0.9
195.13818	20.4
196.14217	6.6
223.13321	6.9
227.03235	2.0
228.13632	1.6
235.16986	1.2
242.07961	2.5
243.08226	1.3
245.04321	4.3
265.21799	1.2
275.20087	7.8
277.21683	4.1
278.22079	9.4
284.03165	1.1
293.21222	100.0
294.21530	9.8
295.22781	33.2
296.23111	63.6
297.23300	2.6
299.05487	1.6
469.45102	0.9
521.25098	62.5
521.31232	11.4
522.25134	9.3
522.31952	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	521.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01247	0.6
53.95644	0.6
55.01762	2.9
57.03320	2.9
58.00464	1.1
59.01255	19.0
67.01749	1.5
68.99690	1.7
69.03338	1.4
69.71692	2.6
69.72098	1.6
71.01258	22.5
72.99181	2.2
73.02826	9.7
75.00751	0.9
81.03295	0.7
83.01263	6.8
83.04900	1.5
85.02836	13.9
85.99969	1.8
87.00760	2.9
89.02314	2.2
93.03336	6.1
95.01272	1.9
97.02885	1.1
99.00741	3.2
101.02327	29.7
109.02857	1.5
111.00767	1.4
111.04419	6.3
113.02321	10.0
119.03439	0.8
127.03913	2.7
129.01848	1.2
137.02335	1.9
142.58507	0.6
142.60733	0.7
151.03877	0.9
155.03423	9.3
158.83539	0.7
159.02917	1.2
159.04343	0.9
161.04472	1.7
173.04478	24.2
174.04866	1.2
185.11786	2.1
191.05582	10.1
192.05852	1.8
193.06001	2.3
227.09294	2.2
285.06641	1.1
340.87115	0.9
347.17114	100.0
348.17462	7.5
521.22388	57.0
522.22723	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	521.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	1.7
57.03325	1.5
58.00465	0.9
59.01252	43.7
61.98717	1.1
64.11992	0.7
67.01762	1.4
68.99673	1.0
69.03318	2.7
69.29607	2.8
69.30025	4.7
71.01256	27.3
72.99166	1.9
73.02815	6.0
73.21062	0.8
78.95792	1.2
80.86176	0.8
81.03325	1.0
83.01261	8.0
85.02815	14.0
85.99914	1.0
87.00758	6.8
89.02317	6.2
93.03318	7.4
94.03619	1.0
95.01249	1.5
97.02818	2.9
99.00742	3.6
101.02321	12.2
107.04865	3.1
109.02853	2.2
111.04426	1.9
113.02327	6.9
117.03326	1.5
119.03381	2.2
119.04906	14.2
121.02850	1.6
125.02336	3.0
127.03902	1.8
131.03386	2.9
133.02852	2.4
133.06454	1.5
135.04385	5.5
137.02336	2.9
139.03915	0.9
143.03436	0.9
145.02850	7.7
152.99524	0.9
155.03398	1.9
161.02359	2.5
163.03923	19.4
164.04262	1.1
164.88054	0.8
173.04445	5.2
177.01860	2.2
179.03391	1.8
179.05624	0.9
180.03931	0.8
183.10191	0.9
185.11725	2.3
191.05530	27.1
192.05885	4.4
193.05963	2.6
195.06546	2.1
197.11743	0.9
227.07114	3.0
284.03314	11.5
285.03558	1.4
297.11353	5.6
299.05609	16.2
315.12448	8.4
329.15942	1.0
347.17001	3.2
353.07895	1.4
359.11246	2.2
359.27991	1.7
401.71463	0.9
420.42047	1.1
461.20270	100.0
462.20718	11.0
521.15906	8.9
521.23657	1.6
521.33417	5.2
522.16840	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	521.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	5.8
57.03333	8.4
58.00457	1.1
59.01250	52.7
61.98688	1.9
67.01754	1.6
68.99663	2.2
69.03316	4.9
69.42503	7.3
71.01247	50.5
72.99177	22.3
73.02811	14.9
78.95776	2.3
81.03307	2.4
83.00857	1.5
83.01266	12.3
83.04897	1.6
84.76320	1.3
85.02818	34.5
87.00737	7.2
89.02317	17.6
93.03334	8.9
94.96075	1.4
95.01247	7.4
97.02837	3.2
98.20584	1.2
99.00746	5.2
101.02317	35.1
102.68691	1.3
108.02048	34.8
109.02843	24.3
111.00732	3.1
111.04423	2.3
113.02319	25.3
119.03371	5.8
119.04929	2.0
123.04401	2.5
125.02293	2.4
125.05907	1.5
129.01810	1.5
133.02867	2.6
134.03638	1.9
135.04390	5.3
143.03389	2.4
152.01059	32.0
153.01851	12.8
155.10638	2.0
159.02911	1.5
159.04320	1.5
161.02347	2.3
161.04448	5.7
161.05902	1.2
163.03847	2.2
164.04523	1.7
167.07074	2.4
173.04428	6.7
177.01822	1.6
177.05534	3.0
179.03433	2.7
179.05496	2.4
179.10675	2.1
185.11742	5.3
191.05542	32.9
201.14920	2.8
224.89700	1.2
283.13434	1.8
284.03223	4.2
299.05566	5.1
329.16174	1.4
347.17041	6.8
359.28021	30.0
360.28500	2.2
444.95392	1.4
461.20258	100.0
462.20584	10.7
477.17474	13.5
478.17825	2.3
506.20474	1.7
521.16547	32.1
521.33295	92.3
522.16608	6.6
522.33643	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	521.224
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	0.2
58.00456	0.2
59.01249	40.9
60.01579	0.2
64.99926	0.2
65.00217	0.2
69.03347	0.2
71.01249	4.5
71.50868	0.2
72.99193	0.4
73.02843	0.6
75.94669	0.2
79.72453	0.2
83.01272	0.5
85.02811	1.1
87.00763	0.6
89.02312	4.3
93.03339	0.3
97.02861	0.2
99.00745	0.3
101.02332	1.4
107.01303	0.5
109.06464	0.3
113.02314	1.1
119.03350	0.2
119.04907	0.3
121.02937	0.2
123.04393	0.2
124.01591	0.2
125.02344	0.3
127.08188	0.2
131.03423	1.0
131.07217	0.2
131.73540	0.2
133.02882	0.2
134.03632	0.3
137.02353	0.3
138.03131	0.3
149.02364	0.2
149.04475	1.5
151.00293	0.8
159.04433	0.3
161.04416	0.2
163.03925	0.2
169.56699	0.2
173.05949	0.4
175.03946	0.6
177.01848	0.2
177.05431	0.4
177.72356	0.2
179.03366	0.2
187.03937	0.6
190.06252	0.4
191.05597	1.2
200.04779	0.3
202.06372	0.2
205.05013	0.6
205.08727	0.2
207.10106	0.5
211.03867	0.4
220.07373	0.7
225.11244	0.3
227.03458	0.6
228.03925	0.2
235.09799	0.4
255.02962	3.9
256.03683	2.2
257.04166	0.2
269.04654	0.3
283.02512	1.4
283.06006	0.4
284.03250	74.1
285.03580	6.8
296.06747	0.2
297.04007	1.5
298.04468	0.3
299.05597	100.0
300.05942	9.9
311.09296	0.9
313.07144	0.2
326.11563	0.3
341.06714	1.1
341.10339	0.3
341.13962	0.6
342.10785	0.2
356.12506	0.3
357.13617	0.2
359.14868	0.2
371.15002	5.1
372.15164	0.5
461.20267	7.7
462.20493	1.1
491.18665	0.5
503.19189	0.2
521.21735	1.1
521.33203	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00372	0.1
57.03303	0.3
59.01249	100.0
60.01579	1.0
62.01837	0.1
65.85007	0.2
69.03335	0.2
69.29983	1.0
69.30390	0.3
70.22453	0.1
71.01253	4.5
71.10833	0.1
72.99191	0.4
73.02826	0.6
75.47214	0.1
83.01262	0.9
85.02818	1.6
87.00781	0.5
89.02315	3.3
93.03320	0.2
97.02863	0.2
98.20589	0.3
99.00771	0.2
101.02323	2.1
109.02837	0.3
113.02319	1.7
113.02961	0.2
119.03385	1.3
121.02890	0.2
131.03416	0.4
143.03421	0.3
149.02348	0.3
149.04482	0.3
150.03101	0.8
156.93915	0.1
159.04488	0.2
160.05206	0.2
161.04489	0.2
165.05499	0.9
172.05240	0.2
172.36531	0.1
173.04526	0.2
179.05574	0.6
182.91257	0.1
189.05565	0.2
190.06273	0.3
191.05553	0.6
195.06560	0.8
205.08667	0.2
216.97543	0.1
254.12732	0.1
261.54703	0.1
263.09354	0.1
296.10605	0.3
303.18173	0.2
311.12952	0.4
341.13995	1.0
342.14551	0.2
347.17358	0.2
400.75601	0.1
461.20261	11.0
462.20514	1.0
469.71283	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.7
57.03319	1.7
58.00443	0.5
59.01254	5.4
60.99174	0.6
63.94845	0.3
65.03848	0.4
67.01761	4.8
69.03313	0.9
69.21831	3.2
71.01254	8.1
72.99197	0.4
73.02818	2.5
75.82274	0.3
81.03329	0.8
83.01267	1.6
83.04899	0.9
85.02818	3.4
85.99956	0.4
87.00745	1.1
93.03335	30.8
94.03661	0.5
95.01247	0.8
96.72654	0.4
97.02814	0.4
99.00780	1.5
99.04414	0.4
101.01701	0.6
101.02325	6.3
108.02065	0.5
109.02842	1.0
111.00749	0.7
111.04402	6.3
113.02364	2.2
121.02814	0.7
125.97555	0.4
127.03850	0.5
136.05209	0.4
136.07730	0.3
137.02333	5.1
150.03191	0.8
155.03416	5.5
159.04413	1.5
160.05205	4.5
161.04567	0.4
161.05969	1.1
163.03938	1.1
164.04721	0.7
173.04472	100.0
174.04828	3.9
175.07552	4.2
177.05481	1.1
178.06259	1.8
185.11787	0.4
191.05461	0.4
193.08594	0.4
329.13925	11.1
330.14178	1.1
347.17093	21.5
348.17346	1.6
351.63690	0.4
359.14969	0.4
521.22412	14.2
522.22711	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	521.203
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00445	1.8
59.01247	34.7
61.98678	2.8
71.01258	22.1
73.02806	5.8
75.75611	1.6
83.01247	7.4
83.98539	1.7
85.02808	6.6
87.00742	2.1
88.83675	1.5
89.02321	18.7
93.03339	3.2
94.03613	1.6
97.02781	1.7
101.02317	7.8
113.02322	5.6
119.03329	1.9
119.04907	4.3
121.02821	1.6
122.06017	3.5
133.02821	1.7
135.04396	3.7
137.02321	3.8
145.87436	1.7
146.03674	2.2
149.04469	2.6
152.07108	3.5
160.01605	4.3
161.02350	2.6
161.04486	2.6
163.03868	3.3
173.04398	4.3
174.42957	1.7
175.03925	2.1
177.01871	10.3
179.07069	2.6
191.05551	15.8
192.05789	1.9
211.03993	2.3
223.09784	2.0
242.09421	4.4
245.08060	1.8
246.08824	1.9
255.02914	5.5
256.03616	2.1
257.11801	3.3
270.08856	5.5
277.73773	1.8
281.04391	2.7
281.09198	4.4
283.02695	2.6
284.03265	79.1
285.03653	8.5
285.11298	5.6
298.08371	5.4
299.05615	100.0
300.06021	10.9
310.08472	2.3
311.09244	3.3
313.10709	2.2
324.09900	2.0
325.10788	5.0
326.07770	5.8
326.11261	2.3
332.67151	1.6
341.06366	3.1
341.10291	37.8
342.10788	3.9
356.12701	12.1
357.13135	5.7
358.13556	4.6
359.14111	10.2
359.28000	2.9
371.11313	3.5
371.15051	49.1
372.15314	5.6
446.17419	4.5
490.15948	2.4
503.32416	3.2
515.83386	1.9
521.33289	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	521.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	20.0
60.99181	3.3
61.98700	5.9
67.01775	8.9
68.99705	2.5
69.03329	3.4
69.60440	2.6
71.01263	20.0
71.50999	3.3
73.02829	4.2
81.03326	2.8
83.01276	3.2
85.02820	11.7
87.00744	12.9
89.02324	6.1
93.03332	54.2
94.03695	3.4
97.02861	2.5
99.00753	3.9
101.02321	20.0
102.51620	2.1
103.83278	2.2
109.02834	12.8
109.74900	2.2
111.04406	7.2
112.39842	2.6
113.02319	7.6
115.03863	3.3
116.51225	2.4
119.03449	2.7
121.02876	6.4
123.04359	3.7
131.03459	2.3
134.03656	2.8
134.70692	2.1
135.04416	7.0
135.08044	2.6
136.01668	2.2
137.02325	6.4
146.03654	3.4
147.04369	2.9
150.03119	7.5
151.03925	4.9
155.03389	6.8
158.03651	4.3
159.04417	10.4
160.05219	26.5
161.05949	5.1
163.03970	5.4
164.04723	5.1
171.02922	3.1
173.04478	100.0
173.05894	5.0
174.04851	3.1
175.03903	3.4
175.07550	24.0
176.04688	4.4
177.05460	4.7
178.06255	6.9
179.05487	2.9
187.03879	3.3
188.04568	2.4
189.05508	4.4
190.06189	4.0
191.05547	59.1
191.07086	4.4
192.05908	11.4
193.05983	9.3
193.08609	3.0
263.24530	2.5
267.06183	3.9
267.53568	2.5
279.06610	6.8
294.08972	4.5
297.11337	8.7
311.09076	3.6
312.10046	10.5
327.12323	60.1
328.12772	5.7
329.10263	6.2
329.13882	92.8
330.14322	8.1
344.12537	3.3
347.17047	24.1
357.13354	11.8
359.14923	16.3
375.14612	3.7
404.79260	2.8
521.22260	58.4
522.21710	8.1
528.26025	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	0.9
57.03328	1.0
58.00470	5.2
59.01249	100.0
60.01578	1.1
60.82584	0.7
69.21037	5.8
71.01251	63.7
72.01607	1.0
72.99177	5.0
73.02813	5.0
83.01260	2.4
85.02827	9.6
87.00756	4.4
89.02316	77.9
90.02697	0.8
93.03332	1.2
95.01271	3.3
99.00752	0.9
101.02319	38.1
103.03915	1.3
108.02058	1.8
109.02851	2.6
113.02331	23.1
114.02682	0.7
119.03387	32.1
119.51717	0.6
121.02852	2.6
122.03603	5.4
123.04401	1.4
125.02390	0.9
131.03384	6.9
133.02863	0.6
135.04370	0.9
137.02393	0.8
143.03427	5.5
147.04398	0.8
149.02376	5.8
149.04448	12.1
150.03134	23.3
150.42485	0.7
151.03596	0.7
159.04459	2.5
159.92339	0.7
160.05188	5.5
161.04507	5.1
161.05977	1.9
163.03944	0.9
163.06055	1.8
164.04668	1.4
165.05490	22.8
166.05917	0.7
172.05170	3.5
173.04553	1.3
173.06024	3.1
174.06830	0.7
175.07585	2.5
177.23068	0.6
179.05527	14.4
180.04250	1.4
187.07622	1.5
189.05508	6.1
190.06235	5.0
191.05499	4.7
192.05931	0.8
195.06561	15.1
196.06873	1.3
196.57542	0.5
205.08659	5.2
206.08992	0.6
265.08838	0.8
269.08127	1.2
281.08273	1.9
283.09723	0.7
296.10541	3.5
299.09488	1.4
311.09479	1.5
311.12961	4.6
314.11746	1.5
326.11597	1.2
327.12421	2.8
329.13873	5.4
341.09866	1.6
341.13913	24.7
342.14352	2.1
345.13556	1.7
357.13626	0.7
359.11353	0.8
359.61536	0.6
473.18497	1.9
476.24051	0.7
491.19733	1.2
521.20038	4.1
521.26483	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	521.203
Annotation	(2S,3R)-Dihydrodehydrodiconiferyl alcohol beta-D-glucoside
Peak:m/z	Relative Intensity
59.01255	8.5
67.01746	0.6
71.01260	7.7
71.51065	0.6
72.99203	1.0
73.02822	2.1
75.00756	0.7
76.29934	0.6
83.01260	1.2
85.02843	4.1
87.00757	1.7
89.02333	2.8
93.03338	1.4
95.01266	1.1
96.95173	0.6
99.00766	0.8
101.02328	4.2
111.00830	0.8
113.02355	3.0
119.04938	0.6
121.02844	6.4
122.03648	0.8
123.00780	1.0
123.04390	1.0
125.02394	0.7
135.04379	1.0
136.05173	1.2
137.02342	2.0
137.05995	1.0
143.04955	0.7
145.02863	1.2
147.04391	2.4
149.02339	2.7
150.03128	6.0
151.00285	1.3
156.16832	0.6
158.03691	3.0
159.04420	9.1
160.05225	25.1
161.04523	1.4
161.05975	7.9
163.03931	4.9
164.04721	5.5
173.04483	1.8
173.06010	3.9
174.06618	0.6
175.07567	25.0
176.07935	1.6
177.01898	0.8
177.05472	7.6
178.04997	0.7
178.06303	6.0
191.05583	4.2
192.05972	0.9
192.07755	1.5
193.08592	2.6
207.01807	0.6
212.04697	0.7
222.06819	0.7
240.04156	1.7
246.57120	0.6
255.10201	0.7
268.07248	1.1
269.08185	7.6
270.08856	1.1
271.02426	0.9
281.08276	3.1
282.08939	1.1
283.09726	5.4
284.03223	1.2
284.10397	0.8
285.04199	1.7
290.04440	0.7
293.08167	1.0
295.09689	1.0
296.10571	0.9
299.09280	6.8
311.09338	7.0
312.09622	1.2
313.10770	1.0
314.08411	0.5
314.11621	14.2
314.15280	0.9
315.12094	3.6
325.10757	1.0
326.11642	7.6
327.12210	2.9
329.13950	100.0
330.14276	8.4
331.53909	0.6
341.09882	1.0
341.13907	12.2
342.14392	1.2
343.11789	1.1
355.11862	1.4
359.15030	2.2
447.08942	1.0
473.14529	2.0
476.16855	2.0
488.16849	1.5
491.19247	17.3
492.19562	2.2
497.33722	0.7
503.11838	0.5
503.19263	16.7
504.19620	2.6
521.10864	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2029
Annotation	trans-Dihydrodehydrodiconiferyl alcohol-9-O-beta-D-glucoside
Peak:m/z	Relative Intensity
55.01746	2.0
57.82446	1.2
59.01250	37.5
69.03337	1.7
70.33081	3.5
71.01250	13.8
72.99165	1.4
73.02820	4.5
83.01268	4.4
85.02821	7.7
87.00764	3.8
87.33855	1.2
89.02319	4.2
90.21831	1.3
93.03320	1.4
99.00753	1.5
101.02334	9.9
111.00753	1.5
113.02328	4.9
117.03395	1.3
119.04918	4.2
121.02847	5.0
135.04466	2.3
145.02861	2.5
159.04369	2.1
163.03918	4.3
177.01768	1.3
191.05585	7.4
192.05856	2.2
263.07013	1.6
266.05759	1.8
267.06619	2.0
268.07388	4.4
269.08185	4.3
270.08920	1.6
280.07379	1.2
281.08139	9.1
282.08960	4.8
283.09702	5.9
293.08237	4.4
294.08954	1.6
295.09796	4.8
296.10376	1.8
299.09103	3.7
300.09882	2.1
311.09195	4.9
314.08163	2.0
314.11548	6.0
315.12271	4.6
326.11517	9.5
327.12119	7.4
329.13812	9.7
341.13904	10.5
342.14291	1.5
343.11728	2.2
355.11816	4.7
368.13254	1.9
385.14926	2.0
445.14590	1.3
446.67383	1.2
461.14423	1.9
461.20581	3.1
473.14456	5.5
476.16830	6.7
488.17038	9.5
491.19247	92.6
492.19662	12.9
503.19235	100.0
504.19617	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	521.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64917	1.0
57.03310	1.5
59.01249	19.5
61.98688	1.7
67.01756	1.1
69.90716	1.2
70.30615	1.0
70.35748	2.4
70.36135	3.2
71.01247	7.7
71.15488	1.0
73.02810	2.5
76.61278	1.1
83.01255	1.7
85.02828	5.2
87.00758	1.1
89.02333	4.7
93.03333	2.0
95.01315	1.2
101.02309	4.7
108.02057	8.3
111.00761	1.4
113.02329	3.5
119.04914	34.7
121.02846	4.0
123.00759	2.4
123.04475	7.6
124.01514	2.2
125.02359	2.2
135.04419	7.2
136.01572	6.0
137.02341	3.9
142.90543	1.1
145.02814	2.5
149.02345	3.5
149.06035	1.1
150.03017	1.3
151.00282	1.2
151.03903	7.7
160.92627	1.4
161.02383	2.7
162.03128	1.9
163.03926	27.8
164.04309	1.7
165.01927	1.2
165.05511	1.6
167.03571	1.3
167.07065	1.3
168.02962	3.4
172.05261	1.2
173.04504	2.4
177.01845	3.2
179.03459	2.4
179.06956	2.1
180.07838	14.3
181.04953	3.4
190.06241	1.7
191.05557	7.3
193.00075	1.4
194.00775	5.8
194.05812	7.8
195.10188	2.8
204.67734	1.4
205.08653	2.9
208.07352	4.9
211.55191	1.2
223.06175	1.8
223.09698	28.7
224.04759	1.4
224.06857	3.5
224.10088	1.5
225.11368	1.8
227.03529	1.5
233.08101	1.6
239.09126	1.8
240.04085	1.8
243.03029	1.7
243.10162	1.7
243.12419	2.1
253.05070	1.5
255.02953	2.0
256.03748	5.7
267.06488	2.5
268.03821	2.6
269.04538	2.9
269.08139	5.1
270.05295	2.7
271.02524	2.1
271.09845	3.8
281.08163	2.3
282.05359	2.4
282.09015	1.8
283.09729	3.5
284.03183	2.0
284.06857	2.0
285.04376	2.3
285.07693	8.7
286.08377	1.8
287.09265	2.5
297.07697	3.9
298.04825	1.9
298.08337	2.9
299.05804	1.6
299.09213	15.0
301.10721	2.3
309.07709	2.1
309.11078	1.7
311.09222	2.3
313.07187	11.3
313.10898	4.1
314.07938	10.0
315.08676	12.8
315.12088	2.9
326.07980	1.9
326.11575	2.4
327.08752	31.2
327.12332	2.1
328.06006	1.5
328.09241	7.2
329.10260	11.6
329.13962	3.9
330.11069	65.7
331.11420	7.5
341.10233	5.4
341.13840	2.3
342.07202	2.0
342.11041	54.9
343.11505	6.7
345.13385	77.5
346.13660	7.8
356.06097	1.8
357.13406	100.0
358.13736	11.6
375.14508	5.9
429.15851	1.4
461.20520	2.7
475.16147	4.6
476.17056	2.7
488.16965	2.5
491.19257	27.2
492.19669	4.0
503.19366	20.3
504.19632	3.9
506.18164	2.9
521.20923	16.9
521.33215	4.3
522.21265	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1666
Annotation	Albidoside
Peak:m/z	Relative Intensity
58.00465	1.1
59.01248	34.1
61.98697	2.2
67.02853	0.9
68.99681	2.1
69.03325	1.2
69.51170	7.3
71.01252	19.7
72.99194	1.2
73.02832	2.3
79.05445	1.1
81.03307	0.9
83.01237	2.4
85.02828	4.8
87.00760	3.9
89.02316	10.2
93.03339	3.7
95.01276	1.3
95.07742	1.1
98.19829	2.2
99.00770	1.2
100.21481	1.0
101.02322	7.3
102.08263	0.9
105.06988	1.4
107.04906	22.3
108.02039	4.7
109.02845	1.9
113.02337	4.3
117.03358	7.1
119.03402	4.0
119.04914	71.7
120.05271	2.9
121.02847	4.7
123.00773	1.6
123.04415	4.3
133.02812	1.2
133.06479	9.0
135.04431	1.8
138.03139	1.8
145.02849	36.3
146.03146	1.5
150.03220	1.7
151.07533	8.1
161.02391	2.3
161.04527	2.8
162.03098	2.2
163.03917	100.0
164.04263	4.4
173.04518	1.3
174.01732	1.0
177.05530	4.4
178.02602	3.8
191.05544	9.8
193.04994	2.9
195.06554	20.1
207.10143	1.5
213.07639	1.2
284.03284	18.9
285.03833	1.6
297.11301	22.7
298.11688	2.2
299.05615	22.6
300.05890	1.6
315.12360	32.1
315.15927	1.8
316.12714	2.8
357.11884	5.0
359.11252	13.6
359.28027	2.5
360.11862	1.1
477.17740	1.6
491.19330	7.7
503.19257	5.9
521.16064	28.5
521.33051	5.5
522.16400	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	521.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	0.2
57.03324	0.3
57.08094	0.2
59.01246	4.7
60.01569	0.2
61.98705	0.6
62.48709	0.2
63.96105	0.2
69.03292	0.2
71.01252	3.4
71.06982	0.3
71.07292	0.2
72.99176	0.4
73.02808	0.9
78.94840	0.2
78.95320	0.2
81.03339	0.6
83.01260	0.5
85.02824	2.0
87.00758	0.9
89.02330	1.9
89.03844	2.5
93.03338	1.2
95.01273	0.3
95.04896	0.3
97.02792	0.2
99.00761	0.4
101.02327	2.5
103.08274	0.2
105.03347	3.6
107.01261	0.3
108.02049	0.6
109.02859	1.0
110.51191	0.2
111.04453	0.2
113.02335	1.4
119.03397	0.6
120.99564	0.2
121.02844	0.6
124.90417	0.2
125.02320	0.2
133.02844	8.8
134.03117	0.3
135.04364	0.5
137.02380	0.3
146.03633	0.2
149.02303	1.1
152.01085	0.5
153.01852	0.6
155.10741	0.3
161.02377	0.3
161.04509	0.4
165.05331	0.2
166.06258	0.6
173.04463	0.8
177.01848	100.0
178.02177	4.3
179.05499	0.2
181.08670	0.3
191.05531	3.7
192.05838	0.4
193.01398	0.9
199.09698	0.3
223.13313	0.3
284.03287	0.7
299.05591	1.2
359.28000	2.2
477.17886	0.3
521.16687	0.9
521.22955	0.5
521.33270	7.0
522.33380	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47945	0.2
59.01247	1.4
61.98724	0.2
66.71125	0.1
71.01250	1.2
71.51682	0.2
72.99173	1.1
81.03300	0.4
85.02816	0.6
87.00737	0.5
89.02341	0.3
89.03837	1.9
93.03334	0.4
95.01247	0.2
101.02325	0.7
104.02587	0.3
105.03343	3.6
109.02834	0.3
113.02368	0.2
119.03436	0.2
121.02829	0.7
133.02847	8.3
134.03133	0.3
148.01607	0.3
149.02303	1.0
155.10701	0.9
161.04384	0.2
173.04512	0.3
176.01094	0.6
177.01848	100.0
178.02187	4.1
191.05544	2.4
192.05898	0.3
199.09760	0.3
223.39157	0.2
226.01468	0.1
284.03418	0.2
299.05579	0.3
358.83554	0.2
359.27731	0.3
380.74500	0.2
509.62250	0.2
521.16663	6.6
521.24078	0.6
521.32452	1.2
522.16858	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.332
Annotation	Unknow
Peak:m/z	Relative Intensity
58.21001	1.1
59.01250	3.6
59.38879	1.2
71.50824	1.8
78.95772	8.2
80.02509	1.6
81.03361	1.7
83.04881	5.2
87.16789	1.1
98.96218	1.2
110.60241	1.2
111.08016	2.3
119.11082	1.1
152.99510	11.9
153.12761	2.2
163.11171	3.0
165.12704	2.9
179.14272	1.3
181.12206	2.2
197.11807	2.2
207.13858	1.7
209.11775	66.2
210.11971	2.5
227.12830	17.4
247.20644	4.7
253.21487	1.3
281.21057	1.2
291.19641	32.9
292.20090	2.9
298.06229	1.3
309.20697	100.0
310.21036	10.1
409.25540	1.5
472.12582	1.3
481.99292	1.3
483.31021	3.9
501.32166	5.6
519.33405	2.2
520.33313	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	520.3043
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	0.6
57.03552	0.1
59.01253	1.4
61.98690	0.1
66.93649	0.1
70.47669	0.2
70.48041	0.1
71.01244	0.3
75.43652	0.1
78.95775	8.0
83.04902	0.3
92.40954	0.1
93.03335	0.1
96.96865	0.1
97.06461	0.3
99.08028	0.2
111.08017	0.1
113.09614	2.0
121.10122	0.1
125.09631	0.1
152.99484	1.5
168.04224	2.1
169.12221	0.1
171.00560	0.1
171.10156	0.2
177.12811	0.5
179.14310	1.0
181.12244	0.6
191.05548	0.5
195.13835	15.4
196.14197	1.0
205.19598	0.1
223.13425	0.1
224.06880	1.5
233.22751	0.2
242.07956	3.9
243.08437	0.1
249.30940	0.1
251.23740	0.4
259.20621	0.2
264.48709	0.1
267.23346	0.1
275.20084	0.3
277.21707	14.2
278.22061	1.2
284.03134	0.1
286.89844	0.1
292.19968	0.1
293.21249	1.0
295.22763	100.0
296.23099	9.2
299.05365	0.1
416.38174	0.1
482.26477	0.1
520.30420	19.5
521.24847	0.6
521.31348	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	521.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	1.9
58.00474	1.3
59.01249	47.5
60.99172	14.7
61.98678	1.2
68.99676	2.1
69.03298	1.2
69.73539	1.0
71.01251	26.0
71.04845	1.1
71.51224	1.5
71.51654	1.1
72.99174	4.3
73.02808	3.2
75.00753	1.8
83.01273	2.6
85.02831	7.5
87.00751	10.5
88.98675	100.0
89.02316	22.8
89.99019	1.4
91.86184	1.0
93.03322	4.9
95.01279	1.9
99.00737	1.4
101.02320	13.9
109.02809	2.7
113.02317	7.7
117.94118	1.2
119.03389	10.0
119.04903	3.0
121.02815	1.9
125.02324	3.6
133.02840	1.1
135.04408	6.1
137.02350	2.2
139.00305	1.5
141.01932	1.1
143.03380	2.5
149.02309	1.8
149.04427	1.6
151.00287	3.4
153.01808	2.4
155.03421	1.6
161.02403	1.8
161.04387	2.4
163.03917	2.5
164.04634	1.3
170.89522	1.2
173.04472	4.0
177.01837	3.8
179.03389	5.1
179.05531	3.0
179.07007	1.8
181.04958	1.2
191.05522	21.4
191.07138	1.8
192.05858	2.1
207.10168	1.5
225.11340	1.2
227.07085	3.6
231.08595	1.1
232.99141	3.8
237.18521	2.2
267.10419	1.3
269.04208	1.3
283.09744	4.8
286.04135	1.4
301.03659	1.5
304.05099	1.1
311.09265	13.1
326.07959	1.2
326.11469	4.6
329.09985	2.1
329.13846	1.6
330.09323	1.2
341.10205	2.3
341.13892	13.0
359.02231	1.9
359.06168	1.7
359.15387	1.3
376.03366	1.1
399.37238	1.1
461.20337	3.6
473.15997	1.3
491.17313	2.6
503.10251	1.4
521.17786	2.6
521.29803	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	521.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	13.4
60.50260	0.5
69.99461	2.3
69.99815	0.9
83.01268	0.6
83.72919	0.5
89.02322	2.3
102.49262	0.5
109.17416	0.6
123.12079	0.5
132.38126	0.6
147.43713	0.5
149.04517	0.6
151.00313	0.5
153.54242	0.5
187.04114	0.5
191.05530	1.5
205.04872	0.6
217.77527	0.5
220.07416	0.7
222.42793	0.5
229.35895	0.6
255.02907	3.3
256.03668	1.7
280.43967	0.6
283.02493	1.9
284.03281	78.6
285.03656	6.1
297.04047	1.6
299.05627	100.0
300.05978	9.2
311.09421	0.9
341.06604	1.0
348.96832	0.6
356.45596	0.5
366.81534	0.5
371.15012	3.4
402.81955	0.6
461.20309	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	519.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25740	2.4
59.01247	7.3
61.98695	3.6
64.92995	2.8
71.50591	3.3
71.50967	3.6
78.95779	20.4
83.04883	2.9
93.03310	3.6
113.23885	2.9
123.04334	3.4
125.09619	8.5
135.08046	4.7
141.05438	4.3
152.99487	25.6
153.09103	9.4
162.12294	3.0
163.11194	8.3
171.10205	12.8
181.12245	3.8
183.13809	8.1
185.11716	6.7
191.05577	5.0
191.14346	9.8
207.10094	5.6
209.11763	21.8
211.13310	68.7
212.13629	3.0
225.11302	6.2
227.12819	10.7
245.19061	22.6
248.39461	2.7
255.23187	4.7
288.11111	3.4
289.18094	100.0
290.18390	9.7
291.19568	5.7
307.19104	98.4
308.19540	8.4
309.20697	14.8
325.20242	27.2
483.31223	5.4
501.32254	7.6
540.11371	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	519.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80497	0.6
55.01771	1.8
57.03324	5.1
58.00471	2.4
59.01252	57.1
67.01752	3.5
68.99688	1.1
69.03312	3.9
71.01255	62.1
71.04887	1.6
72.99193	3.2
73.02824	11.5
73.03201	1.1
75.00763	0.9
81.03335	3.0
83.01251	4.7
83.04903	0.6
85.02293	0.9
85.02825	22.5
87.00758	8.5
89.02319	54.6
93.03348	6.6
95.01271	4.8
95.04884	0.9
97.02834	8.9
99.00765	3.0
99.04405	1.1
99.06237	0.6
101.02323	30.3
102.98476	1.2
109.02832	1.2
111.00775	5.1
111.04420	2.1
113.02345	13.4
115.03973	1.2
119.03400	3.5
123.04437	1.4
123.08067	1.5
125.02336	10.7
127.03908	10.2
131.03401	23.3
135.04399	1.0
135.08092	0.9
137.06036	1.0
137.09619	1.1
138.06769	15.4
139.03851	0.9
139.07101	0.7
143.03392	3.2
149.04466	21.2
149.09589	0.7
149.75853	0.6
151.07634	0.9
153.09120	38.3
154.09518	0.8
155.03421	4.6
158.03580	0.9
159.03084	1.2
159.04408	8.3
161.04485	6.3
165.03696	1.8
165.12675	0.8
173.04477	4.5
175.03951	1.1
185.06012	5.0
186.03192	0.6
187.03894	4.9
191.05545	100.0
192.05873	3.2
203.03415	1.2
207.13850	3.2
209.05954	1.5
211.07631	1.2
221.05821	0.7
224.04781	0.6
225.14912	41.4
226.15244	2.1
229.05144	3.5
233.06670	5.1
237.05588	0.9
239.07097	4.3
252.04283	1.3
264.04248	0.9
265.05103	7.5
265.08133	1.2
283.06082	2.5
283.09619	1.9
287.07709	4.4
293.08759	7.1
309.07730	3.0
327.08807	5.7
369.19287	1.7
377.08829	1.7
387.20261	12.1
388.20322	1.1
428.01685	0.8
430.47711	0.7
457.11380	1.3
519.17346	6.1
519.24432	79.7
520.24768	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	519.2439
Annotation	Ebracteatoside A
Peak:m/z	Relative Intensity
55.01753	1.9
57.03317	3.4
58.00463	3.3
59.01248	74.4
60.01586	0.8
60.99169	0.3
67.01759	1.3
68.99683	0.3
69.03323	5.5
70.13422	1.4
71.01251	96.8
71.04871	0.5
72.01582	1.2
72.99174	5.6
73.02814	13.5
75.00742	2.4
81.03323	2.6
81.06953	0.4
83.01256	7.1
83.04889	4.6
85.02820	23.6
85.99963	0.8
86.03185	0.3
87.00749	8.8
89.02314	95.3
90.02659	1.6
92.40771	0.3
93.03328	5.9
95.01258	4.0
95.04892	0.5
96.95879	0.4
97.02826	9.3
99.00749	5.0
99.04375	0.9
101.02318	49.9
102.02640	1.2
103.00246	0.4
105.06941	0.4
107.04909	1.8
109.02827	0.9
111.00763	6.5
111.04394	1.6
113.02328	20.5
114.02633	0.4
115.03904	1.7
119.03384	7.3
121.02827	1.0
121.06506	1.0
121.10123	1.3
123.04411	1.1
123.08043	46.4
124.01529	0.5
124.08347	1.9
125.02335	16.0
126.02667	0.5
127.03898	3.3
129.01834	1.1
130.99716	0.9
131.03392	38.9
132.03725	0.8
133.02870	0.5
135.04440	1.8
137.02356	0.4
137.09621	5.3
138.06754	0.3
139.03928	1.0
143.03401	4.7
145.10077	0.5
147.08060	0.8
149.04456	47.4
150.04794	1.1
151.03909	0.5
153.05490	0.3
153.09074	0.8
155.03403	2.4
155.10757	0.3
159.02924	1.2
159.04388	6.0
160.04752	0.5
161.02419	0.4
161.04462	10.9
163.11189	42.7
164.11549	2.1
171.02913	0.5
171.11714	1.2
173.04491	3.8
173.09567	1.6
174.04765	0.4
174.69569	0.3
175.03894	0.8
179.03362	0.7
179.05516	4.6
183.04414	0.3
185.02281	0.6
185.05988	2.3
187.03932	3.0
189.12776	22.4
190.13120	1.3
191.05533	100.0
192.05893	4.5
201.05507	0.5
203.03377	1.5
205.03592	0.3
205.22101	0.4
207.13840	29.3
208.14214	1.9
209.06010	0.9
211.03859	0.6
211.07599	1.3
213.05498	0.6
215.05554	1.2
221.06133	0.5
224.04732	0.4
225.14886	2.8
229.05074	2.4
233.06612	6.7
234.06836	0.3
237.05547	1.6
239.07118	3.7
250.06422	1.2
251.07826	0.4
252.04243	1.0
255.06697	0.7
265.05042	7.7
265.08325	0.6
266.05408	0.9
283.06100	2.5
283.09720	1.5
293.08768	9.6
294.09027	0.4
309.04474	0.2
309.07672	6.5
310.08127	0.8
327.08768	4.0
345.15363	0.4
369.19144	0.7
377.08734	1.2
387.20255	5.6
388.20422	0.8
457.11368	1.0
472.99783	0.3
501.23160	0.5
519.24432	39.9
520.24811	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	519.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92774	0.4
54.01655	0.4
59.01234	1.9
61.98684	1.0
61.99008	0.4
69.03342	0.7
71.01243	1.2
71.49865	0.7
78.95771	10.7
85.02817	1.2
87.00737	0.5
89.02283	0.4
93.03310	1.4
95.04926	0.4
96.96826	0.8
97.06468	0.6
101.02315	0.7
101.90221	0.5
111.04390	0.6
119.04919	0.8
133.02800	1.0
135.04395	0.4
137.13341	0.6
148.08827	1.1
150.10405	1.1
151.11128	0.5
152.99481	13.7
163.11143	1.0
165.12755	24.7
166.13049	1.3
171.00543	1.9
173.04463	0.6
175.11153	0.8
176.11937	0.6
177.12787	0.8
178.02567	1.1
179.03300	0.9
186.06573	0.4
191.05577	5.5
191.14326	1.0
202.09984	0.4
209.11765	0.8
211.13358	0.8
217.15900	0.6
227.03244	1.5
236.39215	0.4
243.31299	0.4
245.04216	3.1
247.20633	14.2
248.20940	0.7
273.18564	6.1
283.13443	0.5
291.19650	100.0
292.19992	8.8
303.36520	0.5
307.07822	0.7
308.07843	0.6
377.51917	0.5
423.72595	0.5
467.77756	0.5
519.23621	41.4
520.23993	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	519.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	2.4
61.98698	1.7
69.03329	0.4
69.74241	0.4
70.34492	0.8
71.01244	0.9
78.95770	11.0
81.34444	0.4
85.02810	1.7
87.00754	1.2
93.03344	2.2
96.96854	1.0
97.06480	0.4
98.20531	0.4
101.02333	0.5
119.04935	0.8
125.05991	0.7
129.01851	0.6
133.02866	0.8
134.03685	0.5
135.04391	1.5
137.02336	0.6
145.02815	1.0
148.08835	1.0
150.10394	1.3
152.99484	14.2
161.02423	0.7
163.11197	1.0
165.12753	23.9
166.13081	1.4
171.00537	2.4
173.04399	1.1
175.11206	0.6
176.11986	0.5
177.12694	0.6
178.02612	0.7
179.03328	0.6
191.05539	11.6
192.05879	0.6
198.72801	0.4
209.11731	0.8
211.13287	0.9
227.03238	1.7
245.04314	2.9
247.20638	12.5
248.20929	1.1
255.50084	0.4
273.18643	6.1
274.19040	0.6
291.19650	100.0
292.19989	9.2
307.07852	0.9
308.07935	0.6
347.17386	0.6
351.07278	0.5
412.12851	0.6
434.68399	0.5
519.23633	41.7
520.24084	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	519.172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14346	1.1
55.01750	1.5
55.63046	1.0
57.03315	2.6
58.00466	1.3
59.01250	46.7
61.98719	4.9
67.01768	2.5
68.99695	16.1
69.03332	8.3
71.01253	48.8
71.51157	1.6
72.99181	3.2
73.02818	17.7
74.31420	1.1
75.00742	4.5
80.02183	1.2
81.03357	1.4
83.01262	7.1
84.82481	1.1
85.02824	18.4
86.03133	1.0
86.67266	1.1
87.00738	6.4
89.02315	37.9
93.03340	4.2
95.01263	30.0
95.04879	1.1
97.02834	9.0
99.00755	4.3
101.02323	79.7
102.02708	1.4
111.04401	1.6
113.02336	30.4
115.03841	1.5
116.34758	1.0
118.79516	1.1
119.03365	5.1
121.02845	4.3
121.06462	1.1
123.03544	2.3
123.04411	39.4
124.04756	1.7
125.02323	3.8
127.03903	1.5
131.03407	15.9
131.07042	1.5
135.04373	2.0
143.03381	5.7
147.04500	1.1
149.02461	6.4
149.04463	17.1
151.00198	1.0
155.03415	100.0
156.03728	2.9
159.04434	1.3
160.15547	0.9
161.04498	13.8
162.04794	1.2
165.05467	1.3
173.04510	1.3
175.03873	1.7
179.05466	1.9
181.05005	5.0
191.05545	35.2
192.05930	2.1
193.05000	1.6
225.07600	7.0
229.05008	1.9
233.06599	4.2
285.03946	1.3
287.07681	2.0
293.09000	1.1
325.09274	3.0
357.13293	1.6
387.20355	2.5
403.92358	1.1
490.00037	1.2
519.17108	46.7
519.24432	11.8
520.17291	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52286	1.0
55.01759	2.8
56.00465	1.0
57.03318	2.9
58.00463	4.2
58.02848	1.1
59.01250	100.0
60.01581	1.2
61.98696	4.0
67.01759	5.6
68.99685	16.0
69.03331	9.6
69.29071	7.8
69.29507	1.6
71.01253	80.1
71.04867	0.9
72.01591	1.4
72.99178	11.7
73.02818	12.2
75.00737	4.6
78.95735	1.3
79.01743	1.1
81.03319	1.3
83.01263	5.2
85.02824	20.6
86.02335	1.4
87.00751	10.5
88.00290	1.0
89.02316	88.3
90.02634	1.4
93.03330	7.9
95.01263	24.3
95.04898	4.0
96.95877	3.3
96.96833	1.3
97.02840	6.0
98.02361	1.1
98.20625	2.0
99.00748	8.2
99.71236	1.0
101.02321	81.8
102.02711	1.2
105.03339	2.2
109.41507	1.1
111.00747	2.4
111.04382	3.8
113.02323	27.9
113.03127	1.6
113.03473	1.8
115.03892	2.6
115.43306	0.9
119.03417	14.8
119.04913	19.2
120.05297	1.3
121.02843	7.3
121.06488	2.5
122.96091	1.2
123.00785	1.5
123.04408	22.0
125.02322	5.4
127.03899	9.2
131.03398	30.6
131.04373	2.8
131.06976	1.3
137.02318	1.2
137.09599	1.7
139.03911	1.1
141.01714	1.1
143.03380	4.5
147.04422	1.4
149.02362	4.4
149.04460	47.4
151.03891	3.1
153.05508	6.5
155.03406	83.6
156.03725	2.9
161.04462	9.9
163.03912	14.0
165.05461	3.3
173.04480	8.2
175.03909	1.5
175.05960	1.3
175.07501	1.2
179.05563	11.4
179.91641	1.0
181.05025	1.9
185.05931	1.2
187.03928	1.5
189.05487	1.0
191.05537	42.1
192.05676	1.1
193.05016	1.5
195.06541	2.0
203.03488	1.0
207.13885	3.9
209.04495	4.1
223.06104	1.6
225.07590	3.6
225.14894	1.4
233.06514	2.7
251.07579	1.3
265.04883	2.1
287.07715	3.2
293.08740	1.7
297.09763	4.3
325.09143	2.3
327.08490	1.1
345.15488	1.9
357.13129	1.2
387.20273	6.4
403.12323	1.3
427.12393	1.3
438.08188	1.1
459.14844	5.5
460.14871	1.5
519.17096	35.7
519.24426	25.7
520.17230	5.2
520.25079	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	519.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74392	1.1
54.35326	1.2
55.01751	3.0
57.03308	2.5
58.00460	3.3
58.27707	1.2
59.01249	100.0
59.47346	1.1
59.57470	1.3
61.98693	2.2
62.34855	1.1
63.23135	1.1
67.01754	4.8
68.99686	17.8
69.03316	8.9
69.50126	9.1
71.01252	68.0
72.99179	10.3
73.02823	13.2
75.00748	2.9
75.78574	1.2
79.01760	1.2
83.01270	5.3
85.02814	19.3
87.00739	9.9
89.02314	80.5
93.03330	4.9
93.25182	1.1
95.01263	28.9
95.04901	2.6
96.95911	1.2
97.02813	5.3
98.02333	2.4
99.00748	6.6
101.02323	71.2
102.02666	1.4
109.02858	1.4
111.00723	2.8
111.04380	1.6
113.02328	25.3
113.79359	1.3
115.03897	2.9
119.03410	14.4
119.04900	14.7
121.02819	5.3
121.06502	2.4
123.00734	1.8
123.04408	22.2
124.04658	1.3
125.02297	3.8
125.07819	1.3
127.03930	9.9
131.02463	2.3
131.03394	27.2
131.04373	1.9
133.02805	1.8
135.04305	1.2
137.02298	1.5
141.93581	1.3
143.03398	4.9
145.05997	1.3
149.02344	4.4
149.04448	42.7
153.05482	6.3
155.03404	91.6
156.03741	2.7
159.04422	4.1
161.04510	8.9
163.03935	14.2
165.05447	3.6
173.04453	4.6
175.03923	1.6
177.05310	1.4
179.05533	10.0
181.05026	1.5
191.05537	43.8
192.05798	1.9
195.06548	2.5
209.04457	3.4
209.25278	1.3
215.05424	1.4
225.07687	2.4
225.14899	2.9
233.06636	2.2
265.04996	2.3
287.07669	3.5
297.09705	4.2
387.20016	5.9
391.19989	1.2
459.14798	3.4
519.17041	43.7
519.24414	25.0
520.18109	5.6
520.24786	1.2
531.85071	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	517.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14273	1.4
59.01248	7.1
69.55912	3.8
69.56343	5.3
71.01235	1.7
73.82402	1.7
74.66158	1.4
77.03151	1.3
81.03310	2.6
83.04896	3.5
89.02344	2.4
89.13087	1.8
95.04903	1.8
97.02857	3.4
97.06441	1.6
98.19817	2.3
107.04893	2.4
109.06480	22.9
110.18516	1.5
121.06464	2.6
123.04405	2.2
125.09608	5.0
135.08078	3.1
142.02641	1.4
149.06201	1.4
153.09087	3.3
153.12726	3.8
163.11169	11.2
181.12218	5.2
182.03069	1.6
182.64215	1.6
197.11740	6.4
199.13333	1.7
207.10210	31.2
208.10547	2.2
209.11765	12.5
211.13332	3.6
225.11267	23.8
226.11835	2.1
227.12738	1.5
228.13564	1.5
241.10844	2.7
247.20639	4.2
253.09242	4.1
273.18649	2.3
281.24869	23.0
282.25479	1.7
287.16345	3.4
291.19632	26.6
291.22739	2.5
292.20044	1.8
301.90399	1.4
305.17645	18.0
306.17731	1.8
309.20697	100.0
310.21124	7.1
323.18585	7.6
329.21140	1.8
337.21729	2.1
371.22424	1.3
481.29620	4.5
499.30594	16.0
500.30576	2.4
517.31799	7.8
518.31970	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88358	0.7
53.75719	0.8
55.01747	2.6
55.03177	0.8
57.03301	3.3
57.48518	0.8
58.00207	1.0
58.00464	4.7
59.01250	100.0
60.01586	1.4
69.03331	3.7
69.26644	5.2
69.27073	2.7
71.01251	92.8
72.01613	1.3
72.99175	5.1
73.02816	19.1
81.03320	2.1
83.01276	6.3
83.04893	1.2
85.02823	14.6
85.99992	1.9
86.00523	0.8
86.23410	0.9
87.00746	13.9
89.02316	94.4
90.02639	2.0
93.03352	1.5
95.01276	1.6
95.04900	1.1
97.02831	7.4
97.67982	0.8
98.19865	1.6
99.00755	11.7
101.02320	41.2
102.02659	0.9
107.04910	1.0
108.05673	1.8
109.02785	0.9
109.06451	0.8
111.00761	4.1
113.02338	14.5
113.05986	1.4
115.03921	1.6
119.03387	2.7
122.03569	1.6
123.08042	2.5
125.02333	13.2
125.05972	1.6
131.03395	40.6
132.03712	1.1
136.05220	2.7
137.06003	1.2
138.06773	12.6
139.07487	3.4
143.03391	3.2
147.08093	1.1
149.04462	37.8
150.04764	1.2
151.07532	8.0
152.08336	24.9
153.09122	36.6
154.09514	1.8
161.04503	2.1
163.11182	7.8
165.02277	0.9
167.06990	1.0
173.04521	0.9
187.11171	1.1
189.09059	1.0
190.09918	2.1
191.05534	28.0
192.05861	1.0
203.16960	0.8
205.12279	51.6
206.12602	3.2
223.13374	3.2
233.06638	5.5
273.72403	0.9
280.42499	0.8
293.08734	6.4
325.07193	1.0
385.18604	3.2
517.22919	46.3
518.23456	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	516.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89681	0.3
59.01254	0.8
60.16528	0.2
60.56418	0.3
61.98702	100.0
70.26637	1.1
78.95788	0.3
80.12597	0.3
85.02837	0.3
87.00735	0.3
93.03335	1.5
135.04410	0.5
155.03418	0.3
156.78723	0.3
173.04536	0.8
191.05557	3.0
192.05881	0.4
289.18073	0.3
291.19574	1.2
292.19992	0.3
294.20752	0.3
308.88248	0.3
352.77597	0.3
390.45996	0.3
507.81192	0.3
517.20959	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	517.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00780	1.8
59.01254	65.2
61.98706	31.0
67.01778	2.3
69.03317	4.9
69.22070	11.1
69.22491	9.7
71.01260	38.5
72.60486	2.1
72.99168	5.9
73.02829	11.6
74.02355	3.1
79.01719	2.1
81.03355	2.5
83.01257	4.9
84.85562	2.2
85.02828	18.8
87.00744	8.7
89.02320	28.1
93.03332	17.2
97.02824	5.2
98.19801	3.2
99.00728	3.6
101.02318	17.2
103.56927	2.1
109.02838	3.9
111.00760	7.1
111.04379	5.0
113.02324	6.8
119.03369	6.2
121.02850	2.5
123.04404	2.7
125.02330	9.3
127.03920	4.2
128.03427	7.2
131.03415	6.5
133.02859	5.0
135.04420	12.0
137.02344	6.5
143.03484	3.9
143.04524	6.6
148.05179	11.7
149.02348	2.4
149.04442	8.9
155.03415	2.7
160.00644	2.6
161.02393	10.9
161.04422	4.4
163.07600	6.1
167.03418	3.3
173.04478	18.5
173.05753	3.1
177.01852	2.7
179.03404	7.5
180.32248	2.1
191.05542	100.0
192.05901	5.3
193.06189	3.3
206.60390	2.3
233.06540	3.1
293.08630	11.2
306.07489	13.3
325.68509	2.7
339.05197	2.4
355.09421	2.6
416.68234	2.5
433.19940	2.1
517.23077	3.5
517.30243	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	517.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56763	1.0
53.11445	1.1
59.01244	5.0
61.98705	2.3
65.75423	1.2
71.01244	2.5
72.93597	1.2
78.95777	2.0
85.02819	3.5
87.00783	2.5
93.03339	9.0
95.04868	1.7
99.00800	1.1
101.02390	1.2
105.03342	6.4
106.04165	1.8
108.02082	2.1
109.02847	5.1
111.00780	1.6
121.02852	6.9
123.04465	1.7
125.02324	3.9
126.03114	2.4
132.02110	1.4
133.02850	69.4
134.03654	40.7
135.04440	15.9
137.02344	33.5
137.03204	0.9
138.91602	1.2
139.03918	11.9
148.05200	1.5
149.02313	1.5
150.03117	4.1
159.04378	2.3
160.01581	2.5
161.02354	4.7
161.05968	1.8
165.01868	1.6
172.05084	1.4
173.04427	3.8
173.05865	1.4
174.03172	1.7
175.03772	1.3
176.04742	2.0
177.01855	26.1
178.02632	89.3
179.03398	17.7
187.03911	5.7
187.07515	1.6
191.05521	19.7
192.05858	2.4
193.06042	1.7
194.02142	1.8
197.05986	1.5
198.06841	1.2
202.06377	2.6
203.03270	1.2
203.06972	1.3
211.13353	12.6
215.07079	1.6
235.13354	1.5
257.15387	2.0
283.13440	7.1
288.06381	3.2
291.19556	1.4
292.20050	3.2
299.16385	2.4
301.14398	5.9
306.07446	100.0
307.07816	8.4
309.14896	10.2
311.12781	1.6
317.17612	2.3
327.12183	2.3
327.16016	35.6
328.16388	3.2
329.13931	9.0
330.14038	1.4
345.17041	58.0
346.17270	6.6
353.13657	1.7
371.14966	19.1
372.15424	2.4
389.16092	9.3
499.19769	2.9
517.21094	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	515.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	0.7
60.99181	0.6
67.01762	1.8
69.03316	0.4
70.88357	0.4
70.88708	0.2
71.01269	1.0
79.17638	0.2
79.75400	0.2
81.03321	0.5
83.04907	0.5
84.64626	0.2
85.02834	4.5
85.48723	0.2
86.03237	0.2
87.00759	3.3
93.03340	11.1
94.03088	0.2
94.03668	0.4
99.04381	0.4
109.02837	0.5
111.04405	2.3
127.03916	1.3
132.48102	0.2
133.02869	0.8
134.03641	0.2
135.04420	9.6
136.04739	0.4
155.03433	0.7
161.02362	3.4
163.13715	0.2
171.02917	0.4
173.04465	3.6
179.03419	8.8
180.03770	0.2
188.46136	0.2
191.05545	100.0
192.05914	3.4
323.07739	0.8
341.08606	1.3
353.08780	16.6
354.09070	1.3
386.11887	0.3
484.54529	0.2
515.14075	18.2
516.14374	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	515.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00437	1.8
59.00953	3.6
59.01244	50.5
67.01750	6.4
68.99683	35.1
69.02959	3.5
69.03324	61.6
70.83856	4.4
71.01246	45.0
72.99171	3.8
75.00755	2.7
79.05403	3.8
83.01268	3.7
83.04908	9.6
85.02830	9.3
87.00763	3.2
89.02318	43.2
91.05424	4.9
93.03336	13.0
95.01287	3.7
95.04900	2.5
96.96867	2.1
99.00742	10.1
101.02316	100.0
107.04904	41.3
109.02863	3.2
109.81809	1.6
111.04398	2.5
113.02342	15.6
117.05494	1.7
119.03392	23.9
119.04906	5.3
121.02846	6.8
127.03918	17.2
131.03389	2.7
134.03587	1.8
135.04417	45.6
135.08078	6.7
136.04782	2.0
137.02364	3.9
137.05981	3.4
143.03403	2.0
149.02350	4.0
149.04480	1.4
149.06010	6.9
151.03908	2.7
152.01102	1.8
153.05463	4.2
157.06477	1.8
159.08015	2.3
161.02414	4.2
163.03915	13.4
163.07544	17.5
165.05484	2.8
167.07057	89.0
168.07410	2.7
173.04425	2.6
177.05562	4.4
179.03452	3.2
179.05533	2.6
181.04959	7.4
187.07549	13.3
189.09187	1.9
191.05528	17.0
195.06563	50.3
200.31256	1.9
205.08643	3.8
207.06590	2.3
211.06087	16.2
215.07079	2.9
221.04451	3.1
221.11816	2.6
231.06615	2.0
233.08199	2.7
237.11296	1.9
239.05569	25.1
239.73212	1.6
249.07614	2.4
265.10831	3.9
291.08777	2.8
335.96887	1.8
341.06317	2.2
443.15671	8.3
471.15036	74.3
472.15613	7.2
514.29260	2.2
515.14026	58.3
516.14862	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	515.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92193	0.7
59.01253	1.6
62.93156	0.6
67.01768	0.9
70.36461	2.6
73.23149	0.6
77.22166	0.5
81.03284	0.7
85.02818	8.7
87.00759	2.6
93.03334	6.4
111.04372	1.3
117.03362	1.3
127.03893	2.9
129.64738	0.6
132.02101	1.5
133.02834	7.5
135.04417	4.4
160.01575	2.4
161.02354	42.9
162.02722	1.9
171.02956	0.7
173.04465	2.1
179.03419	3.6
191.05548	100.0
192.05829	3.0
197.29173	0.8
232.83049	0.7
245.24394	0.6
246.28407	0.5
253.48170	0.7
323.07703	42.8
324.08054	3.0
341.08737	2.0
343.98254	0.6
353.08508	3.3
385.86304	0.7
445.34161	0.7
515.14069	26.6
516.14355	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	0.5
59.01254	1.4
60.99174	0.5
61.22186	0.4
67.01765	3.2
69.03320	1.1
69.41628	2.8
71.01253	1.6
81.03346	0.7
83.04907	0.7
85.02821	6.8
87.00747	5.2
89.52847	0.4
93.03336	19.1
94.03698	0.6
98.19749	0.7
99.00739	0.4
107.04941	0.5
109.02834	0.9
111.04404	2.9
119.18514	0.4
127.03905	2.3
127.04671	0.4
129.01839	0.5
133.02850	1.7
134.03575	0.5
135.04416	20.7
136.04752	0.5
146.22652	0.4
155.03365	0.9
161.02333	8.7
168.79170	0.4
171.02980	0.6
173.04475	3.8
179.03419	13.8
180.03706	0.8
191.05537	100.0
192.05875	3.3
353.08759	12.9
354.09128	1.3
395.09750	3.2
464.73358	0.4
515.14038	57.5
516.14423	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	515.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05427	0.1
57.03315	0.3
59.01249	1.3
60.99174	0.7
65.03810	0.2
67.01759	1.9
69.03313	0.5
70.66754	0.1
70.67125	0.3
71.01251	1.2
71.04857	0.1
73.02803	0.2
81.03339	0.6
83.04900	0.5
85.02820	6.1
86.03153	0.1
87.00748	3.2
87.01282	0.2
89.02299	0.2
91.36380	0.1
93.03333	13.2
94.03664	0.4
99.00738	0.4
99.04380	0.4
101.02318	0.1
109.02848	0.6
111.00755	0.1
111.04394	2.1
113.02332	0.2
115.03896	0.1
127.03902	1.7
129.01802	0.3
133.02835	1.0
134.03604	0.3
135.04411	9.6
136.04742	0.4
137.02339	0.2
142.99654	0.1
143.03302	0.1
153.01743	0.1
155.03401	0.5
161.02344	5.1
162.02718	0.2
171.02902	0.5
173.04466	4.1
174.04823	0.1
179.03415	7.5
180.03748	0.4
191.05534	100.0
192.05879	3.3
203.52454	0.1
311.32358	0.1
323.07632	1.1
341.08267	0.7
353.08749	11.9
354.09048	1.1
395.09763	0.2
515.14032	14.0
516.14410	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	513.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98273	0.1
55.01746	0.3
57.03314	0.2
58.00472	0.2
59.01252	6.3
59.98386	0.1
61.80077	0.1
63.04923	0.1
70.27625	0.4
71.01255	4.5
72.99180	0.2
73.02823	1.1
78.95773	1.0
83.01255	0.5
83.04883	0.2
85.02817	1.0
85.03215	0.1
87.00767	0.6
89.02317	3.3
90.02654	0.2
91.03894	0.2
95.01286	0.4
95.76604	0.1
96.96847	0.1
97.02850	0.2
98.96240	0.1
99.00758	0.4
101.02326	4.5
102.02589	0.1
103.03866	0.1
111.00706	0.1
113.02333	2.2
113.06018	0.1
119.03396	0.9
125.02328	0.1
127.07569	0.2
131.03415	0.1
133.04967	0.3
143.03395	0.5
145.04889	0.1
152.99495	2.4
157.04993	0.1
161.04472	1.4
162.04794	0.1
171.00551	0.1
179.05539	0.5
189.87321	0.1
205.19630	0.1
233.22729	0.4
235.08163	1.1
253.09267	15.8
254.09657	0.8
259.20670	0.3
264.74817	0.1
266.57571	0.1
275.20203	0.3
277.21716	100.0
278.22067	9.9
282.14172	0.1
321.90546	0.1
431.22202	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3247
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	0.5
61.98705	100.0
62.98394	0.2
64.14470	0.1
67.12485	0.1
69.03317	0.1
71.01264	0.3
83.04877	0.1
85.02826	1.0
87.00775	0.1
93.03346	0.9
95.01234	0.2
105.67498	0.1
107.04897	0.1
108.02101	0.3
109.02856	0.3
111.04432	0.4
127.03893	0.3
133.02875	0.5
134.03645	0.6
135.04419	8.4
137.02330	0.3
152.01045	0.3
153.01468	0.2
155.03429	0.2
161.02336	0.9
165.93694	0.1
173.04471	0.8
179.03438	6.9
190.35803	0.1
191.05556	14.1
279.38937	0.1
323.05804	0.2
340.05423	0.1
352.07712	0.1
353.08762	7.9
382.96600	0.1
454.34082	0.4
514.10321	0.2
514.16760	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81216	0.3
57.03321	0.5
59.01243	1.4
61.98685	0.7
71.01247	1.0
71.04900	0.4
77.58981	0.3
78.57854	0.4
78.95774	1.1
79.95640	0.4
80.02549	1.3
81.03320	1.2
83.04897	5.7
84.02042	1.1
85.02848	0.6
93.03347	2.7
95.04903	1.1
97.06445	1.0
98.20551	1.0
109.06483	0.7
111.04369	0.6
123.08026	1.3
125.09619	2.3
127.11108	0.4
135.04474	0.4
135.08023	1.3
149.09615	1.3
152.99469	0.7
163.11185	4.2
165.12772	2.7
171.10179	33.2
172.10445	0.9
173.04436	0.5
181.12268	0.6
185.11784	2.0
191.05550	3.1
191.10680	1.4
201.12773	0.4
203.14337	0.8
205.12315	0.5
207.10265	0.7
209.11763	100.0
210.12099	5.8
211.13380	0.8
219.13925	0.5
221.11720	2.1
223.13362	1.7
225.10892	0.4
227.12837	9.1
228.13264	0.4
229.12323	0.7
231.13815	0.7
247.13376	9.9
248.13713	0.7
265.14401	3.0
265.60013	0.4
273.97360	0.4
285.03790	1.2
286.04440	1.0
312.88507	0.4
321.17188	0.7
331.22681	0.4
356.10934	0.4
357.20572	0.5
357.24509	0.4
375.21756	1.4
375.25729	0.7
391.24817	0.4
401.23270	1.5
419.24374	1.3
431.24240	0.8
448.09604	1.5
449.25241	3.4
450.25739	0.6
457.25632	0.5
467.26343	0.5
469.80060	0.4
475.26804	3.7
476.27478	0.6
493.27917	2.6
511.29269	3.8
512.29266	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	0.4
58.00475	0.5
59.01249	68.8
60.01579	0.6
61.98692	0.8
65.63618	0.4
69.79179	2.7
71.01258	5.3
72.99158	0.6
73.02834	0.5
78.69604	0.4
78.95778	2.5
85.02826	2.6
87.00739	0.9
89.02307	2.8
91.36042	0.4
93.03351	2.0
95.01259	1.1
97.06456	0.8
98.19791	0.7
101.02333	5.2
109.02870	0.6
109.06539	0.5
111.04407	0.6
113.02333	6.4
119.03359	2.8
125.02248	0.5
133.02852	1.0
135.04399	1.4
137.02290	0.4
143.03493	0.6
148.08865	1.1
152.99501	1.0
161.04460	1.7
163.11157	0.7
165.12759	14.0
166.13091	1.0
173.04453	1.2
176.12126	0.5
181.08698	0.7
191.05542	7.2
194.80582	0.5
221.06778	0.6
247.20633	7.5
248.21043	0.6
256.03671	0.7
271.20648	0.6
273.18631	3.8
284.03247	1.1
287.20282	0.9
289.21811	2.8
291.19653	100.0
292.19977	9.7
305.21158	2.0
315.19775	1.0
329.18890	0.4
333.20767	4.7
345.20654	0.8
363.21851	0.6
469.09207	4.5
470.10336	0.6
475.00748	0.5
513.09601	1.0
513.27173	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	0.4
57.03314	0.2
58.00217	0.1
58.00460	0.3
59.01249	6.4
60.01590	0.1
68.99689	0.1
69.03307	0.1
71.01252	5.1
71.29505	0.1
71.50845	0.1
72.01580	0.1
72.99184	0.3
73.02820	1.1
75.00727	0.1
78.95765	0.4
81.03326	0.1
83.01254	0.6
83.04890	0.2
84.02052	0.1
85.02824	1.4
87.00750	0.8
89.02316	3.9
91.03878	0.2
95.01263	0.4
95.04885	0.1
97.02805	0.3
97.06433	0.1
98.19852	0.0
99.00771	0.3
99.04419	0.1
101.02322	4.9
102.02686	0.1
103.03889	0.1
106.80178	0.0
112.01550	0.1
113.01524	0.1
113.02326	2.2
113.06018	0.1
115.03855	0.1
119.03386	1.1
125.02330	0.2
127.07577	0.3
131.03404	0.1
133.04967	0.3
143.03375	0.4
145.04915	0.1
149.04472	0.1
152.99492	0.7
157.04974	0.2
161.04469	1.8
171.00545	0.1
179.05547	0.7
182.13017	0.1
205.19568	0.1
233.15698	0.1
233.22736	0.3
235.08180	1.3
253.09258	16.3
254.09654	0.8
259.20639	0.3
275.20038	0.3
277.21707	100.0
278.22052	10.3
385.88940	0.1
431.22165	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12361	0.5
54.25192	0.5
58.59637	0.5
59.01247	5.9
61.52588	0.5
61.98700	2.5
63.81611	0.6
63.96125	0.6
69.03310	1.2
69.23021	6.1
71.01252	4.8
72.99167	0.7
73.02814	1.8
73.73266	0.6
79.95594	1.1
80.96388	5.2
81.03340	0.9
83.04874	1.0
83.46682	0.6
85.02817	4.0
87.00736	1.1
87.04379	5.7
89.02309	2.0
93.03320	3.4
94.97977	1.3
95.01261	1.2
97.02811	1.8
97.21359	0.6
98.19866	1.4
99.00776	1.0
99.04403	0.9
101.02324	4.0
107.01263	0.6
108.02052	31.7
109.02900	0.8
111.04408	0.6
113.02325	1.3
119.03329	0.7
119.04898	3.9
121.02873	0.8
121.24431	0.5
122.03526	0.6
122.22135	0.5
123.00780	1.2
123.04414	13.4
124.01543	0.6
125.02338	4.6
127.03924	0.6
133.02834	2.1
135.04417	1.9
135.08057	1.1
137.02330	0.9
137.05959	0.7
137.09593	4.8
139.00250	1.1
139.07553	0.9
149.99564	0.7
151.00284	2.3
152.01057	73.8
152.99567	0.7
153.01480	2.6
154.02585	0.6
155.03394	0.7
155.10680	23.4
156.11031	1.1
161.02383	1.4
163.03926	4.3
164.98619	1.0
167.03409	100.0
168.00546	2.2
168.03729	5.0
169.04929	0.7
169.12192	0.8
173.04471	2.7
173.53918	0.6
179.03381	0.9
179.10684	1.4
181.08638	1.9
181.80724	0.6
191.05540	10.9
191.07169	1.0
191.10724	0.7
195.02980	0.5
195.10205	1.4
199.09691	28.6
200.10172	1.8
207.67093	0.7
213.11220	1.4
223.09723	1.5
225.00668	1.1
225.11182	0.7
237.11461	1.0
237.42244	0.6
240.38091	0.6
241.10782	10.0
242.11081	0.8
243.04831	1.6
253.10878	2.8
255.12370	2.2
283.11856	14.2
284.03156	0.6
284.12201	1.2
285.03885	1.0
286.04504	0.8
316.09537	3.7
331.11841	11.2
335.01962	0.6
336.05066	0.6
343.13943	5.7
357.59537	0.6
448.09760	1.7
511.19220	10.1
512.19647	1.0
534.72351	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	0.6
59.01231	1.0
61.98698	0.4
63.96099	0.9
67.21939	0.4
69.03308	0.6
70.84455	0.8
70.84827	0.7
71.01260	4.3
72.01594	0.4
73.02822	1.1
78.98465	4.2
79.95609	6.4
80.96393	47.6
81.03347	0.5
81.96305	0.4
85.02834	1.9
87.00759	2.2
92.14471	0.4
94.97968	12.9
95.01263	0.8
96.95869	0.8
97.02853	1.0
99.00779	0.4
99.65567	0.4
101.02347	2.6
106.97965	2.9
119.04919	2.5
122.97481	4.0
125.02377	2.5
134.97473	3.1
136.99043	1.1
148.99054	4.3
151.53629	0.4
152.98535	5.8
163.03932	2.8
164.98546	9.2
182.99580	2.7
183.13843	0.6
188.98572	0.4
191.05544	0.7
206.99637	2.8
211.13342	5.9
212.13676	1.9
225.00697	15.1
226.00891	0.6
243.01805	2.3
285.88245	0.4
299.04315	2.4
308.20358	0.4
325.09375	0.4
364.56290	0.4
420.39966	0.4
437.21301	0.9
511.18530	100.0
512.18915	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	510.219
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00104	0.3
61.98700	100.0
62.05504	0.2
69.10231	0.3
69.20957	2.2
69.21364	0.6
84.46921	0.3
93.03347	0.4
108.02100	0.3
109.43502	0.2
113.37570	0.3
158.84921	0.3
173.68860	0.2
177.69165	0.3
191.05554	0.7
239.47131	0.2
277.22055	0.3
447.09137	0.3
508.00003	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	1.1
61.98704	100.0
67.01762	0.2
69.03332	0.3
69.18321	0.2
69.56734	1.7
71.01250	0.5
72.99181	0.3
80.96398	0.3
85.02847	0.5
87.00764	0.3
89.02309	0.5
93.03335	1.4
101.02322	0.6
107.82029	0.3
109.02863	0.6
110.53967	0.2
111.09430	0.3
119.04909	2.4
120.05272	0.8
120.99526	0.3
122.05917	0.2
125.06100	0.2
133.02917	0.3
134.03714	0.3
135.04501	0.4
137.02386	0.7
145.02876	0.3
153.01855	0.3
155.10664	0.3
161.02339	0.2
163.03877	1.2
164.04300	0.6
165.04422	0.5
173.04538	0.6
179.03537	0.3
181.05040	0.2
191.03836	0.2
191.05545	5.0
191.07146	0.4
192.05960	0.3
197.92601	0.3
199.09764	0.4
200.10062	0.4
225.75638	0.2
233.48398	0.3
284.03189	2.2
285.04004	4.6
286.04431	0.3
303.21893	0.5
356.75775	0.3
434.17130	0.4
444.08234	0.3
447.09384	4.0
448.09720	0.4
510.19162	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55823	1.6
57.03305	3.4
58.00459	2.2
59.01252	27.5
61.98428	1.8
61.98695	19.7
63.63854	1.6
68.99683	3.9
69.03304	3.4
69.38361	11.3
69.38766	3.2
71.01247	18.5
72.99182	1.8
73.02807	10.0
74.18962	1.5
75.00697	2.4
80.96391	8.8
81.03320	2.5
82.95952	4.6
83.01227	3.5
83.04896	2.7
85.02826	13.4
87.00740	5.0
87.04389	20.4
89.02311	8.7
93.03302	5.4
94.97928	3.3
95.01241	5.7
97.02795	4.1
97.06463	2.2
99.00737	1.8
99.04370	4.8
101.02319	14.5
107.04931	1.9
108.02072	8.1
109.02830	10.6
111.04357	2.5
113.02308	5.2
113.61906	1.6
119.03406	2.8
119.04925	10.7
121.02833	1.8
122.03630	29.7
123.04412	38.2
123.08057	2.1
125.02374	3.1
125.05870	2.6
131.04951	3.0
133.02806	2.8
135.04356	2.4
135.08028	3.5
137.02374	8.8
137.05917	2.1
137.09624	22.8
137.79741	1.6
139.07565	2.6
143.03386	2.0
149.02318	2.6
149.05952	3.4
149.09673	2.3
153.01852	1.8
155.03381	5.4
155.10684	100.0
156.10994	6.0
161.02324	3.0
163.03934	11.9
163.07468	2.7
164.98511	2.0
167.07051	5.1
167.10591	2.4
169.12206	4.2
173.04382	4.1
179.03366	3.8
179.10637	6.8
181.08682	8.5
191.05550	24.1
191.10695	5.9
195.10150	6.5
199.09700	43.1
200.09959	2.4
209.11577	2.4
213.11180	2.3
223.09628	2.6
225.00613	2.1
241.10793	10.0
253.10716	4.2
255.12270	5.9
262.86301	2.0
283.11752	17.6
285.03711	5.1
286.04260	4.8
343.13708	2.6
448.09967	4.0
467.19196	78.8
468.19238	10.9
511.17807	79.0
512.18414	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	510.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25925	0.3
56.50764	0.3
61.98385	0.5
61.98698	8.2
63.02292	0.5
65.00194	0.8
68.43731	0.3
71.50667	0.6
81.63660	0.4
83.01247	0.4
94.24846	0.3
107.01273	1.2
109.02840	0.5
118.02602	0.3
133.02805	2.3
134.03622	0.4
149.02312	0.9
149.99469	0.4
151.00284	3.4
152.04123	0.4
175.03857	1.0
177.01823	0.4
187.03859	0.4
191.05396	0.4
199.04016	2.0
217.05011	0.8
227.03336	0.6
241.04930	0.4
243.02969	0.5
251.42957	0.3
256.03769	2.7
283.02313	0.5
284.03250	49.5
285.04016	100.0
286.04391	8.5
297.03949	0.4
299.05457	0.4
327.05106	1.3
447.09293	96.9
448.09644	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	509.2883
Annotation	Unknow
Peak:m/z	Relative Intensity
70.83492	0.5
78.95773	10.1
90.56313	0.3
96.42958	0.2
96.96827	0.5
97.16110	0.3
150.97989	0.3
152.99486	16.3
171.00531	1.2
196.96773	0.3
210.90907	0.3
227.03210	3.7
245.04378	1.8
273.03809	0.9
281.24838	100.0
282.25211	9.7
283.26587	0.4
284.26727	0.7
285.03961	0.5
346.28110	0.3
429.74182	0.3
442.00549	0.3
447.09439	0.4
509.28796	33.5
510.29053	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	509.2882
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31345	0.3
53.28106	0.3
62.12240	0.3
69.47987	1.8
78.95770	11.3
96.96824	1.3
106.14572	0.3
152.21339	0.4
152.99480	18.3
159.53630	0.3
171.00516	1.2
196.89403	0.5
227.03152	3.5
245.04376	1.9
281.24841	100.0
282.25186	9.3
284.26715	0.4
285.04001	0.5
312.63858	0.3
447.09106	0.7
509.28802	34.3
510.29224	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	1.4
59.01248	52.5
59.53358	1.0
61.98704	5.5
62.77611	1.1
65.00179	2.3
69.03315	1.0
70.99859	2.2
71.01257	20.7
72.99171	1.4
73.02804	4.8
75.00755	4.9
81.03305	1.3
83.01250	5.7
85.02817	9.1
87.00727	3.4
89.02325	7.0
93.03323	5.1
94.28143	1.0
95.01259	1.8
99.00748	2.6
101.02316	15.0
107.01263	1.8
108.02034	1.6
109.02861	1.6
111.00755	2.5
113.02314	7.3
117.72998	1.0
119.03381	2.2
119.04913	7.8
120.99551	2.9
121.02821	3.4
123.00776	1.2
123.04354	2.0
124.01525	3.5
125.02367	1.6
131.04909	1.2
133.02878	1.4
135.04419	2.2
137.02301	3.1
139.00224	2.4
139.03847	1.9
149.02278	2.5
149.05966	1.9
150.03032	1.4
151.00288	8.5
152.01138	1.5
153.01823	3.7
155.03392	3.2
155.10666	1.5
157.16399	1.2
161.04459	2.6
163.00273	2.2
163.03880	4.3
165.01892	2.0
165.05414	1.7
166.99728	3.9
173.04456	1.5
175.00291	2.8
175.03876	2.0
177.01872	2.0
178.99773	2.1
179.03322	3.0
179.06940	1.1
181.01266	1.8
181.04953	1.0
183.02870	3.9
191.05568	8.8
192.00404	1.1
193.01204	1.5
193.08632	1.7
194.99245	2.7
203.03310	1.3
206.99294	1.4
231.02873	1.3
242.02162	1.5
243.02960	2.0
247.02252	1.0
249.06068	1.2
259.02399	1.5
259.13663	1.7
271.02454	2.7
284.03268	5.6
285.04059	10.3
287.02020	1.3
287.22162	1.8
301.03665	2.6
329.23291	1.2
341.04785	1.5
347.03925	4.8
357.04745	1.1
447.09634	7.6
449.27368	3.4
451.81290	1.2
481.09631	1.9
491.28448	3.6
509.09103	3.7
509.20950	6.4
509.29559	100.0
510.30084	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	509.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	2.1
57.03319	3.5
59.01253	31.5
61.98707	10.2
68.99664	4.6
69.03327	1.8
71.00903	2.7
71.01258	30.1
71.50391	1.9
71.50769	1.9
72.99174	11.6
73.02813	9.3
75.00749	47.0
83.01244	6.2
85.02825	13.9
87.00739	6.1
89.02312	18.7
95.01217	3.1
97.02814	2.6
99.00737	4.3
101.02323	34.0
102.01806	2.7
103.03853	3.4
107.52533	1.7
109.02815	3.5
109.06445	1.8
113.02348	11.5
113.30939	1.4
119.03362	6.7
120.99535	1.8
121.02792	4.6
123.04347	2.3
129.09064	1.9
133.24004	1.6
134.03658	1.5
135.04358	2.4
137.02371	2.6
143.03387	1.8
149.02327	3.0
149.05983	2.8
150.03125	2.0
151.03877	1.6
153.01810	1.8
153.51338	1.4
155.10670	2.4
161.04404	4.6
163.03902	1.8
165.05489	2.6
166.99730	2.0
179.05522	2.8
181.04874	2.5
182.05785	2.0
183.06628	1.8
184.23354	1.5
185.11755	1.9
191.05568	8.3
195.06514	3.0
199.09782	1.5
223.06023	2.5
275.30927	1.6
298.11002	1.7
311.08185	1.7
329.16156	2.3
347.17102	100.0
348.17560	7.8
440.80429	1.7
473.27313	6.0
483.99039	2.0
509.22113	8.6
509.29538	58.7
510.29813	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	509.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09377	1.1
57.03311	1.2
59.01249	6.1
61.98706	2.9
65.03817	1.4
69.73449	7.0
71.01252	3.2
72.86583	1.2
73.51614	1.1
78.95776	9.0
80.02547	2.6
81.03326	5.6
83.04888	11.5
84.02029	3.6
88.50421	1.1
93.03335	4.5
94.09056	1.3
95.04899	2.3
97.02824	5.1
97.06456	2.5
102.10375	1.0
109.02842	3.1
109.06478	18.5
111.04394	8.6
123.08015	2.2
125.09593	7.3
127.11216	1.3
133.02864	1.1
135.04390	2.6
135.08026	3.5
140.01050	1.2
152.99461	2.4
161.09659	1.9
163.11191	15.9
165.12773	2.5
171.10176	23.5
175.11214	1.4
181.12282	4.6
185.11751	9.5
189.09158	1.2
191.05487	2.7
195.13766	5.8
197.11691	1.2
201.11240	4.6
205.12257	1.5
207.10191	42.9
208.10641	2.5
209.11765	100.0
210.12131	6.8
213.01572	1.3
214.04689	1.3
217.12253	2.9
219.10306	1.4
221.11758	2.4
223.13344	5.7
224.13728	1.8
225.11278	25.1
227.12856	13.7
228.13142	1.4
231.10223	3.2
233.11743	1.2
235.13364	3.3
237.11317	1.4
245.11693	2.1
247.13399	3.2
249.11333	4.8
251.12868	2.3
263.12854	5.7
265.14474	1.3
271.23450	1.1
277.21674	4.0
281.13947	4.4
284.03186	4.5
285.04001	9.7
293.21381	2.1
294.21677	7.3
295.22797	25.0
296.23172	1.7
299.14929	7.2
319.15482	3.1
337.16556	2.7
355.17703	1.5
355.22919	1.4
373.24063	3.7
399.21683	3.4
406.33731	1.3
417.22540	1.6
447.08957	9.1
447.23874	1.3
465.24866	3.8
473.25452	14.5
474.26013	2.3
491.25854	23.6
492.26486	3.3
509.27524	52.5
510.27826	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	508.2679
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	0.9
58.00461	0.5
59.01254	2.9
61.98706	2.8
70.89367	0.6
70.89702	0.9
71.01247	1.5
78.95774	14.0
83.04866	0.7
85.02824	1.0
86.87753	0.5
93.03349	1.3
97.02787	0.5
99.08022	2.9
101.02314	1.3
110.32960	0.5
111.08049	0.5
113.09606	3.4
123.08033	0.7
129.09093	5.5
134.03664	0.5
135.04399	1.1
137.02342	1.3
138.14781	0.5
139.11223	0.6
139.13882	0.5
140.01085	5.1
141.09161	0.8
152.99493	2.4
153.12759	1.2
155.14302	0.6
163.11189	1.0
169.12254	3.6
171.00612	0.7
173.04428	1.7
181.12276	4.3
181.54774	0.5
183.13791	1.7
184.79881	0.5
191.05553	3.0
192.05740	0.6
193.12218	1.8
195.31407	0.6
196.03693	2.8
197.11751	12.3
198.12093	1.0
199.13295	6.7
202.72855	0.5
211.13339	17.6
212.13748	1.0
214.04820	7.9
215.59212	0.6
227.12816	0.7
275.20102	1.6
293.21231	12.4
294.21426	1.1
311.22266	100.0
312.22632	9.9
374.26172	0.6
508.26807	42.3
508.35114	2.5
509.27185	5.9
509.34729	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	20.3
61.98689	1.5
68.99709	0.8
69.03336	0.8
69.24860	7.2
71.01248	5.2
72.99178	1.6
73.02807	4.3
75.00702	1.2
77.26608	0.8
85.02809	5.1
87.00754	1.5
89.02312	7.1
93.03324	2.5
101.02325	5.2
103.03889	7.3
108.02034	2.1
109.02847	0.9
118.91473	0.7
119.03382	4.4
119.04865	1.0
121.02918	0.9
122.03639	2.4
123.04390	1.1
127.04976	0.9
131.41380	0.7
133.02835	2.2
134.03630	28.7
135.04425	7.6
136.04742	1.0
143.00835	1.0
144.67094	0.7
145.02820	1.4
145.04991	1.2
146.03629	43.5
147.04424	19.9
149.05978	34.9
150.03111	2.1
150.06326	1.1
161.02339	7.3
161.05984	19.6
162.02928	1.7
163.03935	1.8
163.06018	15.5
164.04691	24.9
165.01830	0.9
165.05368	2.5
167.04796	0.9
167.07043	22.8
168.07335	1.4
177.01955	0.8
177.05533	1.7
179.03481	3.4
179.07050	100.0
180.07393	5.0
184.07141	0.8
191.05533	6.1
193.08665	1.2
195.06532	3.0
197.11485	0.7
224.06732	1.0
284.03207	2.7
285.03983	8.0
285.35074	0.8
311.11368	2.7
312.12100	3.7
313.12918	39.0
314.13226	2.3
353.08737	1.8
354.09283	1.3
355.14072	0.9
367.09888	0.6
367.13925	17.9
368.14328	1.1
447.09222	7.4
461.18079	13.1
462.18378	2.0
473.18231	12.7
474.18674	2.1
491.18906	4.2
492.19174	0.9
509.22119	3.7
509.29691	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	507.3534
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	4.5
57.03325	4.5
58.00462	1.6
59.01250	30.7
61.98701	0.8
64.14912	0.3
68.99722	0.7
69.03319	1.0
69.21701	2.7
71.01251	61.7
72.01592	0.8
72.99173	2.9
73.02818	17.1
75.00740	1.3
81.03337	0.6
83.00754	0.5
83.01256	8.8
84.02045	0.3
85.02821	29.4
85.99960	0.8
86.03181	0.4
87.00747	3.7
89.02316	11.1
93.03337	2.6
94.03676	0.4
95.01256	4.7
97.02848	1.9
98.20603	0.7
99.00759	8.0
101.02320	46.0
102.02657	0.9
109.02847	0.4
111.00752	2.6
111.04395	0.6
113.02329	22.0
116.92467	0.3
119.03376	4.6
125.02348	1.4
129.01819	1.2
131.03400	0.9
135.04419	1.0
143.03416	2.1
149.04492	0.5
159.02905	5.8
161.04465	22.5
162.04892	0.5
173.04494	1.3
179.03462	0.4
179.05548	1.1
185.15424	0.6
191.05542	11.0
192.05891	1.5
193.05984	0.4
196.18875	0.3
202.06348	0.4
205.03436	1.0
209.11722	0.8
213.18718	0.4
281.24808	0.4
297.24326	0.5
299.25906	2.5
345.30084	15.2
346.30423	1.9
507.35355	100.0
508.35703	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	507.3537
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60586	0.5
55.01758	3.3
57.03320	4.0
58.00454	1.8
59.01252	34.7
61.98705	0.6
66.57903	0.4
67.01768	1.2
68.99676	0.7
69.03339	1.1
69.22880	2.7
69.23306	2.4
71.01253	54.7
72.01561	0.6
72.99186	2.5
73.02821	15.7
75.00742	1.2
75.96687	0.5
78.95770	1.4
81.03349	0.8
83.01258	7.9
85.02823	25.3
86.03172	0.7
87.00738	3.9
87.04400	0.6
89.02320	14.5
90.02686	0.6
93.03332	4.2
94.03682	0.6
95.01267	4.2
96.95883	0.7
97.02832	1.7
97.06516	0.5
99.00764	8.0
101.02322	40.5
102.02651	1.0
107.29147	0.5
109.02847	0.6
111.00762	2.6
111.04385	0.5
111.08013	0.9
113.02337	20.6
114.02642	0.8
119.03397	6.2
125.02361	1.5
127.03897	0.9
129.01849	1.6
131.03416	0.7
133.02846	0.8
134.03610	0.6
135.04414	3.0
137.02347	8.4
141.01842	0.5
142.25574	0.5
143.03377	2.9
146.03647	0.6
149.04393	0.6
152.99524	0.5
159.02919	4.2
161.04459	19.3
171.10167	0.6
173.04491	2.7
177.01849	0.6
178.02658	0.7
179.03447	0.8
179.05519	1.4
185.15453	0.7
187.07573	0.5
191.05534	21.1
192.05865	2.1
197.11732	1.0
198.11957	0.9
205.03456	0.9
211.13446	0.6
223.05980	1.3
230.09598	0.8
255.02782	0.7
284.03333	1.0
285.04016	1.2
293.21478	0.9
299.25888	2.0
310.21045	1.7
345.30078	16.8
346.30383	1.6
386.69547	0.6
507.35352	100.0
508.27905	0.6
508.35657	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	507.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00456	2.3
59.01250	100.0
60.99155	1.3
61.98685	4.2
67.01748	1.6
69.31007	5.3
69.31440	8.0
71.01252	62.2
72.99174	5.4
73.02818	9.4
83.01254	2.5
85.02819	13.9
85.99973	1.7
87.00741	11.7
89.02317	83.8
90.02676	2.0
93.03315	9.8
99.00758	1.5
101.02319	42.3
104.32833	1.4
109.02823	3.1
111.00780	1.7
113.02328	16.7
119.03396	13.6
119.04900	6.8
121.77015	1.3
125.02340	3.1
127.03902	1.6
131.03394	35.0
135.04454	3.4
143.03345	2.5
149.04453	66.9
150.04607	1.6
152.01187	1.8
161.04436	3.4
163.03900	4.6
173.04488	5.2
177.01892	2.8
179.03528	2.0
179.05499	6.5
191.05539	63.8
192.05875	7.5
197.11624	1.8
251.07867	1.5
306.61475	1.6
315.18137	4.3
447.22296	42.0
448.22589	5.0
507.18716	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	4.0
58.70669	2.6
59.01235	8.9
61.98686	13.0
64.15350	2.5
78.95766	5.2
81.03332	6.6
83.04893	5.1
93.03338	3.8
95.04916	5.2
97.06451	7.4
104.16645	2.8
109.06459	4.7
111.08031	3.4
119.04940	5.1
125.09612	23.7
135.04433	4.0
145.02844	10.4
146.03194	3.0
152.89893	3.0
161.02393	4.7
163.11182	4.2
164.04272	3.6
171.10156	5.5
175.11142	4.4
187.09660	5.8
189.12785	2.7
191.05521	5.8
191.10616	5.2
207.10191	3.5
209.11758	25.4
223.13205	2.8
232.70718	3.0
237.11189	5.3
273.22336	3.0
299.19855	3.3
307.19003	3.6
317.21378	4.2
339.88800	3.0
385.20059	2.9
407.68408	2.9
419.24310	3.7
435.23822	4.3
445.22308	39.8
446.22894	5.0
461.35800	3.1
463.23364	100.0
464.23526	11.7
469.44583	3.8
471.24295	4.0
489.25034	43.7
490.25281	5.2
507.25995	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	507.3537
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	3.1
57.03316	3.8
58.00465	1.4
59.01247	26.1
63.16935	0.4
67.01742	0.4
69.03334	0.8
71.01250	50.3
71.31466	0.4
71.31808	0.5
72.01584	0.5
72.45960	0.3
72.98831	0.3
72.99166	1.8
73.02815	14.1
75.00739	1.1
83.01254	7.3
85.02819	26.6
85.99984	0.9
86.03151	0.8
87.00734	2.7
89.02314	11.0
93.03323	1.8
95.01254	4.6
97.02831	1.3
99.00748	6.1
101.02319	31.7
102.02647	0.5
111.00732	3.2
111.04403	0.3
113.02325	19.3
114.02680	0.5
116.07678	0.3
119.03378	4.1
119.04871	0.4
125.02322	1.2
129.01836	1.2
131.03398	0.5
135.04416	1.3
137.02325	0.3
141.01796	0.4
143.03384	1.5
149.04460	0.4
159.02911	4.7
161.04456	17.9
162.04803	0.7
163.03911	1.4
171.13768	0.6
173.04520	1.0
179.05472	0.9
180.07805	0.4
187.07545	0.3
191.05527	7.6
191.82227	0.3
192.05853	1.2
205.03468	0.4
211.13326	1.2
223.09668	0.7
258.15976	0.3
299.25894	1.9
345.25885	0.5
345.30051	9.8
345.34055	0.6
346.30737	0.5
386.02155	0.4
391.23795	0.4
432.42117	0.4
477.19070	1.1
478.19467	0.5
489.19028	0.8
507.35339	100.0
508.35654	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	507.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01607	1.2
61.98697	3.7
68.99678	6.5
69.03302	1.5
69.17428	0.8
69.17863	3.2
69.18287	4.9
71.01255	9.2
72.99151	0.9
73.02806	1.6
75.00755	1.2
75.38953	0.8
78.27945	0.7
82.71698	0.7
83.01267	1.4
85.02823	3.8
87.00762	1.2
89.02332	4.3
93.03343	1.7
97.02824	1.4
101.02322	19.5
102.98463	0.9
109.02833	1.2
111.04362	0.8
113.02320	2.4
117.25278	0.8
119.03442	0.9
125.02305	1.4
127.03900	1.0
129.65456	0.8
135.04401	0.8
137.02298	1.1
151.03896	2.3
153.05476	2.1
161.04442	3.5
167.07114	1.1
173.04503	1.3
176.03850	1.0
179.06992	1.0
181.04984	32.7
182.05341	1.5
191.05505	4.9
196.07333	35.1
197.07663	1.6
211.09697	78.7
212.10034	5.1
235.08159	4.4
255.08719	3.4
345.15680	1.3
447.18704	2.3
507.15076	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	507.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00456	2.3
59.01250	100.0
60.99155	1.3
61.98685	4.2
67.01748	1.6
69.31007	5.3
69.31440	8.0
71.01252	62.2
72.99174	5.4
73.02818	9.4
83.01254	2.5
85.02819	13.9
85.99973	1.7
87.00741	11.7
89.02317	83.8
90.02676	2.0
93.03315	9.8
99.00758	1.5
101.02319	42.3
104.32833	1.4
109.02823	3.1
111.00780	1.7
113.02328	16.7
119.03396	13.6
119.04900	6.8
121.77015	1.3
125.02340	3.1
127.03902	1.6
131.03394	35.0
135.04454	3.4
143.03345	2.5
149.04453	66.9
150.04607	1.6
152.01187	1.8
161.04436	3.4
163.03900	4.6
173.04488	5.2
177.01892	2.8
179.03528	2.0
179.05499	6.5
191.05539	63.8
192.05875	7.5
197.11624	1.8
251.07867	1.5
306.61475	1.6
315.18137	4.3
447.22296	42.0
448.22589	5.0
507.18716	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98250	0.6
57.03316	0.7
58.00462	1.0
59.01250	9.5
61.67207	0.5
65.00121	0.6
69.17720	6.6
71.01260	7.3
72.99188	0.8
73.02819	2.2
73.86787	0.6
77.97327	0.6
79.96655	0.6
83.04900	0.6
85.02828	3.8
86.26358	0.6
87.00748	0.7
87.04398	5.0
89.02306	5.1
93.03302	1.3
93.85646	0.6
94.43189	0.6
95.01247	0.6
97.02818	1.0
98.19860	1.2
99.00741	1.1
101.02325	5.5
113.02335	2.6
119.04913	100.0
120.05238	3.5
130.22385	0.6
132.30812	0.7
137.09604	2.6
138.40053	0.6
139.07526	1.1
149.04451	1.8
155.10686	16.7
156.10983	0.8
163.03915	55.7
164.04254	2.6
167.10722	0.6
168.04665	0.6
169.12196	0.8
173.04382	0.8
174.55336	0.6
178.20152	0.8
179.05621	0.9
179.10696	1.5
181.08594	1.6
181.34659	0.6
191.05531	7.4
191.10683	1.2
192.05869	1.2
195.10204	1.6
199.09680	19.9
200.10040	0.6
202.40820	0.6
213.11284	0.7
223.09813	1.9
237.11275	0.8
241.10759	6.1
253.10855	1.9
255.12268	1.0
283.11859	11.1
284.12381	1.1
343.13916	5.9
416.52655	0.7
447.22421	2.6
507.18808	14.3
507.35379	6.6
508.18976	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	507.1875
Annotation	Clemastanin A
Peak:m/z	Relative Intensity
52.21982	0.4
59.01249	2.8
61.98699	0.5
63.54291	0.3
65.63406	0.4
68.42535	0.3
69.30020	3.1
69.30439	0.7
71.01274	1.9
71.01582	0.4
72.99196	0.6
75.00764	0.5
80.17520	0.4
81.53411	0.3
85.02805	0.6
87.00725	0.6
89.02308	1.9
93.03313	0.5
101.02321	2.5
108.02041	0.8
109.02841	0.6
113.02328	1.2
119.03373	0.9
121.02856	1.9
133.02834	0.9
134.03625	1.3
135.04408	1.7
145.02837	4.3
146.03638	2.9
147.04410	1.2
149.05980	1.6
161.04616	0.6
161.05995	1.6
164.04665	1.6
166.06255	0.8
167.07050	5.8
179.05579	0.6
179.07039	4.5
180.07851	0.5
181.08600	1.4
191.05530	2.8
193.04880	0.4
193.06639	0.4
199.07573	0.4
209.08112	1.6
211.07581	1.0
223.07373	0.4
225.05608	0.8
225.09216	0.8
227.07178	0.9
237.05473	0.7
238.06319	0.7
239.07092	1.3
239.10820	0.8
240.04259	1.0
241.05046	0.8
245.95926	0.4
251.07167	2.2
253.05121	2.2
253.08652	0.9
255.06572	5.3
256.07117	0.7
256.11005	6.0
257.11194	0.4
260.07181	0.4
265.08655	1.5
267.06726	4.6
267.09805	0.8
268.07126	0.5
269.08191	4.3
270.08865	1.0
281.08160	0.9
282.08966	0.9
283.09735	4.7
284.10498	4.8
295.09741	5.7
296.10516	9.3
297.11295	4.1
299.09262	2.0
300.10019	26.5
301.10428	1.9
310.08505	5.0
311.05380	0.5
311.09235	19.5
312.10010	38.6
313.10355	2.9
315.12387	58.1
316.12680	4.5
327.12375	100.0
328.12735	7.9
329.12576	0.7
339.12317	0.6
345.13248	7.6
477.17676	6.8
478.18344	0.7
489.11661	0.6
489.17786	4.7
490.18045	0.8
507.18765	7.7
508.19470	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	1.2
58.00453	1.8
59.01249	47.0
61.98688	5.7
67.01746	2.0
69.03323	80.9
71.01254	51.2
71.50600	1.9
72.01561	1.8
72.99172	5.7
73.02817	8.3
75.00738	5.4
81.03335	4.1
82.78539	1.2
83.01294	1.9
85.02818	7.3
87.00753	5.9
89.02314	52.8
90.02684	1.2
93.03323	2.5
94.62608	1.6
95.01286	2.3
95.04897	10.0
97.02824	5.1
98.03191	1.5
99.00816	1.2
99.04389	5.7
101.02313	25.0
107.04886	3.5
113.02327	13.4
119.03432	2.3
121.02853	4.3
121.06470	13.5
123.04397	2.2
125.02328	6.1
125.05968	6.4
131.02448	2.4
131.03398	19.7
139.00069	1.4
139.03937	1.9
139.07579	2.1
143.03401	4.3
149.04465	23.3
151.07539	25.4
163.72925	1.3
169.08649	8.2
191.05537	44.1
192.05820	2.4
193.05061	1.9
195.06572	14.1
315.12314	3.6
445.13644	5.0
507.17145	100.0
508.17297	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	507.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	1.0
57.03321	0.7
58.00458	2.4
59.01251	49.3
60.01598	0.8
61.98704	8.1
63.14602	0.6
68.99692	0.8
69.03319	0.7
69.43150	4.5
71.01253	19.2
72.01583	1.1
72.99176	3.3
73.02451	0.8
73.02818	8.0
75.00748	1.3
83.01259	1.2
83.82225	0.6
85.02828	11.7
87.00764	1.3
88.25455	0.6
89.02322	14.3
91.05413	1.8
93.03276	0.8
101.02316	14.2
102.02645	1.7
103.03883	11.7
105.03355	1.6
107.04918	0.8
109.02837	0.9
111.00713	0.6
113.02330	2.4
117.03311	1.4
119.03391	5.0
119.04910	2.3
121.02841	0.9
123.04460	0.9
125.02361	1.6
127.03948	1.0
131.03381	1.8
133.02852	0.9
134.03622	8.4
135.04405	2.5
145.02863	12.7
145.04933	2.0
146.03641	33.5
147.04439	15.3
148.04968	0.8
149.02315	0.8
149.04491	1.2
149.05991	7.2
150.03139	2.6
151.00217	1.2
151.03860	0.7
155.10703	0.8
161.04576	1.8
161.05978	11.4
162.03148	1.4
162.04736	0.7
163.03918	52.4
163.05939	8.9
164.04700	20.8
165.05402	2.6
168.02930	1.1
173.04526	0.7
173.58557	0.7
177.05490	1.4
179.07056	100.0
180.07414	3.4
191.05548	2.1
192.05693	0.8
194.00842	1.1
195.06651	1.0
198.05043	0.7
199.09673	1.2
284.03232	0.9
285.04007	2.5
295.09729	3.8
315.08942	0.9
315.12430	1.1
325.10730	8.6
327.08737	1.5
328.04721	1.1
365.12476	3.3
374.22653	3.0
375.22946	1.9
471.16348	1.9
490.09854	1.2
506.26999	2.8
507.20538	2.3
507.27435	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	3.8
59.01253	12.1
68.99677	1.7
69.03306	5.0
71.00898	2.3
71.01253	22.1
72.99168	4.2
73.02801	2.2
75.00747	15.3
78.95750	3.0
83.01242	6.0
85.02821	21.8
87.00749	7.8
88.45455	1.1
89.02314	3.3
91.03807	1.2
95.01257	8.3
96.95877	5.3
99.00742	18.5
103.00242	2.3
111.00729	4.3
112.01541	1.5
113.02328	31.1
122.78436	1.4
129.01843	1.3
131.03368	4.1
152.99477	3.2
157.01273	3.0
171.00378	1.6
181.11865	1.3
190.66731	1.2
191.05553	1.7
205.07126	1.8
223.08115	1.8
249.06119	25.8
255.23267	100.0
256.23630	7.4
267.07278	7.3
279.23145	1.7
281.24814	1.8
361.85800	1.4
505.30042	99.4
506.30240	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	506.3254
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67630	0.0
71.01286	0.0
78.95778	5.7
96.96814	0.1
101.54740	0.0
104.44990	0.0
128.19974	0.0
152.98311	0.1
152.99483	1.1
168.04227	1.5
168.05675	0.1
171.00531	0.1
224.06900	1.0
227.03020	0.1
229.56453	0.0
242.07956	2.7
243.08138	0.1
264.93561	0.0
279.23315	1.6
281.24850	100.0
282.25192	9.0
506.32510	7.2
507.27029	0.8
507.32944	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.3246
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	0.7
71.51180	0.4
78.95770	18.2
83.51954	0.3
132.45644	0.4
152.99495	6.3
168.04178	1.8
181.62749	0.4
191.05516	0.6
196.89424	0.8
224.06870	4.8
227.03296	0.7
242.07907	2.2
252.41057	0.4
279.23291	13.3
281.24841	100.0
282.25174	8.7
356.73050	0.4
502.32632	0.4
506.32513	19.4
507.26859	9.0
507.33112	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	507.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01767	3.8
59.01250	100.0
62.67299	3.2
69.03323	52.8
69.30546	26.8
70.74477	2.9
70.82813	2.9
71.01252	61.0
71.01620	4.7
72.99177	6.5
73.02829	5.3
81.03326	8.8
85.02831	12.6
87.00763	4.3
89.02314	52.3
95.04896	15.5
99.04410	4.4
101.02323	20.4
103.15584	3.2
107.04890	7.8
113.02330	28.9
119.03394	5.9
125.02317	9.4
131.03391	10.0
133.06487	3.6
144.91953	3.8
149.04449	11.3
151.07500	8.1
169.08612	6.7
177.05458	3.5
179.05540	5.0
191.05560	14.1
213.07629	19.7
357.11887	12.9
507.17111	71.6
508.17612	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	505.2808
Annotation	Mucronine A
Peak:m/z	Relative Intensity
58.95478	0.3
59.01252	2.3
64.54163	0.3
70.99123	0.6
71.01255	0.4
72.99184	0.3
78.95766	3.0
79.13765	0.2
85.02822	0.5
85.23440	0.3
87.00724	0.3
89.02333	0.5
91.03889	0.8
93.03330	0.8
117.03347	22.0
118.03644	0.7
119.04910	31.4
120.05257	1.1
121.02856	3.8
123.04400	0.8
125.87629	0.2
133.02838	1.3
135.04408	0.9
145.02852	100.0
146.03168	4.2
152.99512	1.4
161.02344	0.8
162.03117	0.9
163.03915	23.1
164.04256	1.1
191.05542	2.8
267.19656	2.0
285.20706	8.1
286.21094	0.7
345.24118	0.4
413.23318	15.0
414.23508	1.9
431.24362	17.8
432.24756	1.9
503.02106	0.3
505.28061	65.1
506.28372	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	505.2571
Annotation	Amoritin
Peak:m/z	Relative Intensity
52.47881	0.4
59.01244	1.8
70.25226	1.4
70.25598	0.8
71.01236	0.7
78.95772	27.6
96.96817	2.4
107.05561	0.4
115.08958	0.5
116.20755	0.4
127.07548	0.5
130.57927	0.4
150.97916	1.2
152.99483	41.3
153.99786	0.7
171.00563	1.9
197.11624	0.5
221.64238	0.4
227.03204	6.0
233.22836	0.5
245.04211	2.0
277.21701	100.0
278.22067	9.2
289.18152	1.1
292.69727	0.5
413.20859	0.6
431.22601	0.6
505.25717	66.0
506.26028	8.4
522.47205	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2653
Annotation	Foliasalacioside E3
Peak:m/z	Relative Intensity
51.91415	0.4
55.01758	5.3
56.02086	0.4
57.03322	7.1
58.00468	4.4
59.01250	71.7
60.01583	0.9
62.62070	0.4
68.99675	1.1
69.03323	3.4
71.01251	100.0
72.01601	1.8
72.99178	6.0
73.02816	22.7
74.03126	0.4
75.00760	1.2
78.34818	0.5
81.03342	1.7
83.01254	12.8
84.02038	0.7
85.02821	34.1
85.99980	1.1
86.03155	0.5
87.00743	4.5
89.02315	49.8
90.02641	0.9
92.47414	0.5
93.03349	1.0
95.01270	5.0
97.02827	4.2
99.00755	9.8
101.02320	63.4
102.02674	0.7
107.01249	0.7
109.02827	0.8
111.00762	8.1
113.02328	26.5
115.03907	1.8
116.64623	0.4
117.78568	0.4
118.90726	0.4
119.03363	3.0
123.00800	0.4
125.02335	7.9
127.03855	0.8
129.01836	1.2
130.99759	0.6
131.03394	27.6
133.02792	0.7
137.02402	0.9
139.03865	0.7
139.11232	0.6
141.01849	0.5
143.03378	5.3
149.04456	18.7
150.04807	0.6
151.00308	1.5
155.03377	0.5
156.00430	0.4
159.02896	4.1
159.46544	0.4
161.04462	28.1
161.81740	0.4
162.04808	0.9
164.03345	0.4
165.03749	0.8
167.03409	0.5
171.23758	0.5
173.04424	0.5
177.01740	0.6
179.05467	0.7
187.06050	0.5
191.05505	5.5
203.05429	0.6
205.01436	0.5
205.03362	0.7
211.16901	2.6
212.17326	0.7
215.05568	1.6
231.01552	0.9
232.02142	0.7
233.02882	0.6
233.06630	8.3
255.02957	1.4
256.03366	0.9
283.02432	1.2
284.02875	0.7
285.03772	0.8
293.08783	3.5
298.04123	0.7
299.05615	0.7
301.03293	0.7
302.04019	0.6
324.05222	0.8
325.05365	1.3
330.69025	0.4
342.06122	0.9
343.06485	0.8
355.21347	1.4
373.22281	44.3
374.22806	3.6
395.08170	1.6
447.09042	0.6
461.10892	0.8
487.10724	1.2
505.26544	92.3
506.09509	0.9
506.19403	0.6
506.26877	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	505.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	0.5
61.98685	0.1
67.01755	0.2
67.97164	0.1
69.03332	0.3
71.01265	0.5
72.99165	0.2
81.03334	0.6
85.02817	0.6
87.00742	0.4
89.02319	0.3
89.03841	2.3
93.03340	1.0
94.03618	0.2
95.04904	0.3
101.02351	0.2
104.02562	0.5
105.03341	3.6
106.03675	0.2
109.02808	0.1
110.88743	0.1
111.04385	0.1
124.04009	0.1
133.02853	8.9
134.03177	0.5
135.04425	0.2
137.02365	0.2
139.11145	0.2
148.01578	0.5
149.02344	0.9
154.20493	0.1
160.03889	0.2
173.04457	0.4
176.01027	1.3
177.01855	100.0
178.02194	4.7
183.10184	0.3
191.05536	4.4
192.05856	0.6
193.06091	0.6
199.50066	0.1
206.80945	0.1
210.94254	0.1
228.10315	0.4
228.81754	0.1
229.10603	0.3
247.22546	0.1
272.09250	0.5
273.09534	0.7
287.62967	0.2
325.12881	0.2
339.07211	0.2
453.03308	0.1
505.17136	11.2
506.17490	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	505.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	1.7
59.01249	100.0
60.01567	0.7
61.98705	1.0
62.81913	0.7
69.03329	10.4
71.01251	18.1
71.05361	2.0
72.99177	1.5
73.02824	2.6
74.27725	0.7
75.00742	1.5
85.02830	10.0
87.00756	2.3
89.02320	14.1
93.03340	2.6
95.01264	4.6
97.02827	22.4
101.02325	7.5
102.01850	0.8
103.03880	0.8
105.03360	0.9
111.00806	0.8
113.02336	25.6
119.03426	1.7
121.02840	2.0
123.04414	5.0
127.03923	0.9
131.03433	4.4
136.44341	0.8
143.03378	0.9
147.04305	0.8
149.04457	8.3
149.05956	6.5
151.03941	2.5
155.03471	1.2
160.56473	0.8
161.02350	14.2
161.04391	4.6
167.07071	2.6
176.04716	8.1
179.03424	23.6
180.03818	1.1
191.05536	9.7
191.07094	3.6
193.05000	14.4
194.05777	26.6
194.36548	0.8
195.06146	1.8
209.08136	97.7
210.08461	6.4
221.67030	0.7
433.92953	0.8
505.15656	25.3
506.16119	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	505.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50621	0.2
57.07545	0.2
59.01240	1.0
60.96100	0.2
71.50496	0.4
78.95782	1.3
92.06851	0.2
93.03324	1.0
112.94769	0.2
121.02842	100.0
122.03191	3.0
145.02928	0.3
151.46854	0.3
152.99490	0.6
159.50208	0.2
162.06778	0.5
173.04433	0.3
180.05635	0.5
181.06520	3.6
191.05528	0.7
194.57814	0.2
197.06018	2.7
207.04468	1.1
207.08063	0.6
223.03979	0.5
225.05522	2.3
251.07071	0.3
257.09692	1.0
279.22516	0.3
295.06033	0.3
300.02518	0.3
301.08545	0.3
313.07181	5.3
314.07779	0.3
327.21686	0.5
329.08252	0.3
345.84070	0.2
357.06027	0.9
373.10760	0.4
383.07675	1.3
396.79202	0.3
417.09760	10.7
418.10068	1.9
433.09464	0.3
461.12286	0.6
487.30850	0.3
505.11420	7.8
505.31607	0.9
506.11603	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	505.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76291	0.8
56.77070	0.7
59.01249	7.9
61.98682	1.0
67.01746	1.1
68.80384	0.7
71.01238	1.7
71.30784	1.5
78.95789	9.2
81.18064	0.7
85.02808	2.9
87.00751	1.7
90.10165	0.8
93.03329	2.6
101.02324	0.9
107.01268	0.8
111.00737	1.9
113.02324	0.8
118.47193	0.8
125.25684	0.8
127.83757	0.8
132.02020	1.1
133.02844	3.0
135.04414	1.5
137.02296	0.7
145.02885	0.9
147.47171	0.7
151.00250	4.6
152.99539	1.9
160.01541	1.2
161.02356	28.3
173.04446	1.6
176.04668	1.1
177.01750	1.1
183.04427	2.3
185.02351	5.6
187.00313	3.0
190.02863	0.8
191.05550	20.7
191.06996	0.9
192.05847	2.1
198.03114	2.4
199.03917	4.3
201.01834	1.1
202.02609	1.2
203.03439	10.2
211.03847	1.2
214.02629	2.5
214.36218	0.9
215.03384	2.9
226.02629	3.9
227.03444	25.9
228.03896	2.1
229.01363	3.3
242.02229	3.3
243.02971	10.0
251.03349	1.0
255.02968	2.1
256.03827	1.2
265.26248	0.9
268.03815	3.8
270.01718	8.7
271.02481	33.0
272.02969	4.9
274.01059	1.3
285.04031	15.4
295.22931	1.0
296.03326	1.0
299.01962	100.0
299.43253	0.9
300.02615	20.5
301.03348	2.6
310.00839	0.7
311.05771	0.9
313.03537	56.9
314.04303	89.3
315.04828	12.6
316.05594	1.2
324.02655	2.1
328.05881	2.5
329.06699	2.0
331.18906	1.0
337.03766	0.9
339.05072	2.9
416.05289	1.5
444.05270	0.9
444.27640	0.8
459.06537	0.8
473.08832	4.6
475.06271	1.1
505.11398	65.7
506.11713	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	504.172
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
61.98693	4.2
68.01277	2.4
68.99682	3.9
69.22552	1.8
69.30343	4.4
69.30759	9.9
69.84099	1.4
71.01250	23.0
72.99170	3.3
74.02347	9.6
75.00739	8.3
80.01279	2.2
83.21058	1.5
85.02820	4.5
87.00755	2.1
89.02320	23.8
93.03333	41.0
94.03613	1.8
98.02325	5.2
98.04622	1.6
99.01861	1.5
101.02326	26.3
105.03310	2.7
111.04344	1.7
113.02340	8.6
115.03900	3.4
116.03435	15.5
117.01833	3.6
119.03378	8.8
123.04408	54.0
124.04739	2.0
124.45189	1.6
140.03439	34.9
155.03526	1.7
161.04425	2.8
162.31339	1.8
173.04440	1.8
177.05347	1.6
179.05515	11.3
191.05566	7.7
221.23241	1.4
230.15858	1.6
264.08847	3.8
282.09915	8.2
444.14993	2.6
502.67905	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	504.1875
Annotation	Neoalangiside
Peak:m/z	Relative Intensity
58.00449	0.9
59.01250	22.2
60.50793	0.7
62.54131	0.8
67.01740	2.2
67.88979	0.7
68.99680	0.7
69.03320	24.7
71.00896	1.2
71.01248	12.9
73.02821	0.9
81.03334	12.2
82.04119	0.7
83.01248	1.3
83.04880	2.8
85.02821	6.6
87.00742	2.1
89.02308	9.7
91.05413	1.7
93.03338	9.0
94.02845	1.1
95.01249	1.3
96.04418	5.8
96.29601	0.7
97.02900	0.7
98.20603	1.4
99.00730	0.8
101.02316	6.2
108.04409	2.3
109.01585	1.5
111.04382	1.4
113.02354	3.9
116.95486	0.8
118.06493	10.5
119.03379	3.2
119.04888	1.5
121.06482	1.5
122.02367	2.2
123.04465	0.9
123.08030	1.0
124.03936	15.8
125.02345	1.1
127.03881	1.9
131.03427	1.0
133.02846	1.5
135.04414	1.3
135.07988	1.1
136.03940	3.8
137.04695	0.7
147.04414	12.8
149.04422	1.2
155.10475	0.9
161.04382	0.8
164.07069	2.0
172.07610	0.9
173.04546	3.7
176.07069	3.5
177.01849	18.7
179.03322	0.8
184.07640	0.8
185.09648	1.9
188.07179	1.3
190.05057	1.0
191.05533	69.1
192.05879	19.9
193.06010	2.6
200.10646	1.3
210.09138	2.1
228.10254	60.4
229.10608	4.4
229.28786	1.1
244.09738	2.0
254.08194	3.1
272.09274	100.0
273.09573	7.7
279.12344	2.0
280.13116	6.4
285.03845	2.1
311.15045	0.8
312.15225	0.8
314.13965	4.3
324.12393	24.3
324.18158	1.0
325.12631	2.2
342.13434	9.9
343.13727	0.9
358.13599	1.4
365.87766	0.8
458.21155	1.3
487.33698	0.9
504.18707	35.5
504.34412	1.5
505.18716	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	504.1152
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93814	1.8
51.51643	1.9
54.43443	2.4
57.03332	5.5
58.00472	4.2
58.08210	1.8
59.01255	81.5
65.00204	7.6
69.03365	4.1
71.01257	100.0
71.51165	3.3
72.99174	7.2
73.02831	21.3
75.00777	2.2
83.01254	16.4
85.02828	31.5
87.00758	6.8
89.02325	52.8
89.02839	3.6
93.03345	3.0
97.02827	4.2
99.00756	10.1
101.02324	54.6
107.01279	8.4
107.04934	2.1
109.02844	20.2
111.00782	10.1
113.02347	25.7
118.70274	2.3
119.03365	3.6
125.02346	20.7
131.03401	22.3
133.02873	25.3
134.02376	3.0
135.04393	4.1
137.02345	22.1
141.90497	2.5
143.03386	3.7
149.04443	29.5
151.00278	33.1
153.01787	3.4
159.02927	2.6
160.03941	7.2
161.02452	10.8
161.04434	18.9
164.03448	18.8
165.01831	3.0
175.00220	3.3
176.01080	8.9
177.01862	15.7
178.99796	6.9
179.03404	9.1
187.02625	5.1
188.03438	5.7
190.01373	4.0
190.05054	8.8
190.99730	2.8
191.05553	12.4
201.01828	2.7
202.01297	3.1
205.01398	15.5
205.03395	3.4
206.04582	5.1
216.02936	3.4
227.03436	5.9
228.74944	2.4
229.05096	3.0
230.00854	4.4
231.01680	35.9
232.02431	33.5
233.06703	6.4
243.02950	2.8
245.04762	2.7
253.04941	3.3
255.02994	46.5
256.03738	19.7
257.04520	7.8
268.03922	2.5
269.04477	3.9
273.04059	2.4
283.02512	31.8
284.03177	15.4
285.03900	6.0
296.09866	2.8
297.04041	20.7
298.04095	3.0
299.05643	3.4
301.03558	22.2
309.30136	2.6
313.03223	3.0
314.06680	4.6
323.04327	4.7
324.05127	38.5
326.08798	6.8
327.12143	5.4
328.12848	3.5
341.05191	6.4
342.02554	3.9
342.06201	40.6
342.14444	2.9
343.06339	3.7
356.12503	2.8
368.09979	6.1
373.22351	31.9
394.07794	46.8
395.08127	5.6
419.09793	22.0
446.08505	26.1
447.08798	4.3
463.08997	7.0
486.10406	43.1
487.10721	5.1
503.18747	4.4
504.11230	45.2
504.19620	27.6
505.11334	3.8
505.19162	4.0
505.26541	67.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.25
Annotation	Platanionoside G
Peak:m/z	Relative Intensity
55.01757	4.0
57.03325	8.3
57.82382	0.3
58.00471	3.0
59.01250	76.6
59.09727	0.3
60.01582	0.9
62.80646	0.3
67.01789	0.4
68.99699	0.7
69.03320	3.7
69.22481	3.2
69.28797	0.3
71.01253	100.0
71.04910	0.3
71.20411	0.3
72.01598	1.5
72.99171	4.7
73.02818	22.9
75.00748	1.3
80.46657	0.3
81.03334	1.6
83.01255	12.8
83.04903	0.7
84.02058	0.4
85.02822	29.9
85.99974	1.2
87.00747	6.2
88.63642	0.3
89.02315	72.8
89.30029	0.3
90.02666	0.7
95.01254	4.0
97.02830	4.9
99.00756	8.2
99.04353	0.4
101.02322	63.2
102.02657	0.9
109.02835	0.4
111.00758	9.5
111.04415	0.4
112.36070	0.3
113.02328	28.5
114.02697	0.7
115.03901	2.0
119.03384	7.0
121.02819	0.4
123.08038	1.5
125.02337	9.7
127.03882	0.5
128.01147	0.4
129.01848	1.6
130.99719	0.7
131.03397	32.4
132.03792	0.4
137.02376	0.6
137.09625	1.2
139.03912	0.4
141.01830	0.5
143.03400	5.9
149.04457	31.7
149.09673	0.5
150.04822	0.7
155.03369	0.5
159.02869	3.1
161.04465	21.7
162.04832	0.5
164.04724	0.8
165.12659	0.4
167.03461	0.4
173.04495	0.6
179.05530	2.3
179.07001	0.7
187.06097	0.6
191.05544	9.0
191.14391	0.4
203.05550	0.7
205.03494	0.6
209.11761	0.3
209.15390	7.9
210.15730	0.4
215.05507	1.0
223.17178	0.4
233.06607	7.6
234.07013	0.4
250.61470	0.4
251.07777	0.3
293.08774	5.3
323.07791	0.4
353.19629	1.7
371.20724	19.2
372.21143	1.5
452.03094	0.4
503.24979	62.9
504.25305	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	503.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75012	1.9
57.03308	3.0
59.01250	100.0
67.01756	1.6
69.03304	3.6
71.01248	24.8
71.09045	3.6
72.99181	2.9
73.02812	5.7
78.95770	2.6
81.03284	2.1
83.01257	4.2
83.04890	5.0
85.02824	17.1
87.00730	5.3
89.02317	12.5
93.03334	15.6
95.01257	2.2
99.00745	3.4
101.02332	15.4
102.98469	4.6
109.06456	1.5
111.04395	5.0
113.02320	7.1
119.03423	3.1
119.04926	2.2
125.02303	3.7
127.03918	3.0
133.02884	2.4
135.04417	3.7
138.02945	1.6
143.03362	2.4
149.04405	2.3
155.03365	2.1
161.02354	3.9
161.04439	5.9
163.03931	2.6
173.04449	17.1
177.01849	3.9
191.05533	99.3
192.05815	4.7
198.60153	1.5
217.92943	1.9
279.12311	3.4
283.13391	1.7
284.03275	12.0
299.05521	8.7
371.20737	2.6
399.23865	6.3
402.22794	1.6
417.24921	10.8
457.20435	2.1
503.25977	10.8
503.33594	51.7
504.21194	2.2
504.33890	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	503.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10496	0.4
55.01776	0.3
57.03321	0.6
57.41417	0.3
59.01247	5.9
61.98708	2.3
66.94950	0.3
67.01752	1.1
69.03317	0.6
70.51725	0.3
71.01253	7.5
71.04897	0.4
71.50742	0.3
71.51166	0.4
73.02818	1.9
81.03337	0.4
83.01263	0.5
83.04913	0.6
85.02822	9.2
87.00741	2.2
89.02318	4.8
90.02743	0.4
93.03341	5.9
97.02806	0.7
99.00771	0.7
101.02316	2.9
109.02869	0.6
111.00783	0.5
111.04395	1.3
113.02329	1.2
125.02325	0.9
127.03903	1.7
130.08661	0.4
131.03380	1.2
137.02350	0.5
137.09618	1.0
139.11198	0.9
149.04457	2.1
152.07086	0.4
161.02383	0.3
161.04451	0.6
163.03915	0.4
167.07056	0.8
171.02963	0.5
173.04439	2.8
186.69823	0.3
191.05548	100.0
192.00648	0.3
192.05920	3.6
207.13918	0.6
209.15421	1.2
211.06075	0.6
223.13303	0.7
225.14880	0.4
233.06715	0.5
235.13507	0.5
279.12354	6.1
280.12659	0.4
293.08963	0.4
311.15042	1.0
371.20770	0.7
443.19269	2.2
457.20340	0.8
460.18900	0.7
471.18707	0.5
472.02628	0.3
503.14850	0.4
503.25583	3.8
504.18076	0.3
504.25620	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01586	0.9
61.98717	0.3
62.73226	0.3
69.03341	0.3
71.01252	4.3
71.50570	0.7
73.02827	3.8
78.95791	0.4
80.53589	0.3
83.01254	2.2
85.02836	0.8
87.00784	0.5
89.02332	1.2
93.03349	0.7
93.30471	0.3
101.02320	6.4
108.00842	0.3
109.06432	0.3
111.00746	0.5
111.74432	0.3
113.02328	2.2
116.13838	0.3
119.03396	0.9
121.02864	0.3
125.02380	0.3
131.03387	0.6
135.04431	0.7
143.03441	0.9
149.04472	1.0
149.41724	0.3
155.03406	0.7
161.02400	0.4
161.04469	1.9
173.04417	0.5
184.56087	0.3
191.05542	3.4
191.07164	0.5
221.06955	0.3
265.18057	0.5
332.13113	0.4
393.11087	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37033	0.5
55.01760	0.6
57.03321	1.3
58.00449	1.6
58.41312	0.5
59.01250	25.3
59.42614	0.5
61.98698	0.9
67.01759	26.1
68.02100	1.1
68.99680	2.3
69.03312	2.8
71.01252	24.8
71.04891	3.5
71.51568	1.0
72.99181	1.7
73.02816	6.1
73.51453	0.5
75.00763	1.6
83.01247	1.2
85.02826	4.6
87.00755	2.4
87.04418	0.8
89.02318	30.3
90.02659	0.6
93.03321	2.2
95.01247	3.5
95.04908	3.8
96.95897	0.6
97.02831	2.0
99.00758	6.4
99.04385	3.9
101.02318	16.9
102.02674	0.5
103.03899	1.1
106.01804	0.5
109.02837	0.6
111.00710	0.9
112.01554	1.6
113.02315	5.6
115.03882	1.8
119.03393	3.8
119.04865	0.6
121.02849	3.3
123.04416	4.9
125.02325	2.5
127.03900	100.0
128.04227	2.7
131.03403	7.0
143.03448	1.0
149.02444	5.9
149.04453	21.3
152.99532	0.5
155.03423	7.9
159.06506	3.6
161.02359	1.0
161.04497	2.1
165.05432	0.9
171.10251	0.9
173.04510	1.5
179.03375	0.8
179.05600	0.7
191.05548	11.6
193.04974	0.7
195.06471	0.7
203.07043	0.6
219.02960	0.7
233.06749	0.7
239.09273	2.2
244.73796	0.6
251.07669	1.6
255.03102	0.8
271.08215	19.5
272.08655	0.9
276.44614	0.5
284.03259	1.2
293.08731	1.5
309.09674	5.5
323.11331	1.5
341.12640	0.6
357.13403	0.7
358.44028	0.6
371.20544	1.0
471.14914	0.8
485.18036	0.7
503.17685	50.7
503.24692	4.0
504.11859	1.0
504.18216	5.1
504.25238	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2342
Annotation	Platanionoside F
Peak:m/z	Relative Intensity
55.01762	0.9
57.03320	1.2
58.00454	2.8
59.01247	77.5
61.98711	0.5
68.99701	0.5
69.03327	1.2
71.01251	62.8
71.50919	0.7
72.01601	0.8
72.99174	5.3
73.02813	8.4
75.00742	1.7
83.01258	2.6
85.02822	7.9
85.99964	0.8
87.00744	5.9
89.02314	100.0
90.02654	1.3
93.03320	1.1
95.01260	0.5
96.95875	0.4
97.02842	1.2
99.00756	4.4
99.04414	0.6
101.02319	42.9
102.02642	0.9
108.02070	1.8
109.02835	1.5
111.00783	0.7
111.04367	0.4
112.98678	2.4
113.02328	11.6
114.02655	0.5
119.03384	6.7
121.06497	0.8
123.01946	0.4
125.02377	2.3
129.76456	0.4
130.88719	0.5
130.99741	3.3
131.03394	34.4
132.03693	1.1
135.29483	0.4
137.09628	5.3
139.03876	0.9
143.03389	1.7
147.04382	0.5
149.04456	75.7
150.04796	2.4
152.01045	1.2
153.01878	1.0
161.04440	1.3
163.11169	1.1
168.06607	0.4
173.04442	0.6
173.05786	0.6
176.95114	0.5
179.05591	0.6
189.09160	1.0
191.05537	22.0
192.05873	0.9
202.13950	0.5
207.10147	2.0
221.06512	0.6
223.09622	0.8
231.10333	0.4
251.07655	0.9
276.11206	0.4
281.08810	0.6
285.07706	0.5
293.08768	0.6
356.80344	0.4
405.55508	0.5
483.14496	0.5
501.19623	3.7
502.19684	0.5
505.20532	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	0.9
57.03320	1.2
58.00454	2.8
59.01247	77.5
61.98711	0.5
68.99701	0.5
69.03327	1.2
71.01251	62.8
71.50919	0.7
72.01601	0.8
72.99174	5.3
73.02813	8.4
75.00742	1.7
83.01258	2.6
85.02822	7.9
85.99964	0.8
87.00744	5.9
89.02314	100.0
90.02654	1.3
93.03320	1.1
95.01260	0.5
96.95875	0.4
97.02842	1.2
99.00756	4.4
99.04414	0.6
101.02319	42.9
102.02642	0.9
108.02070	1.8
109.02835	1.5
111.00783	0.7
111.04367	0.4
112.98678	2.4
113.02328	11.6
114.02655	0.5
119.03384	6.7
121.06497	0.8
123.01946	0.4
125.02377	2.3
129.76456	0.4
130.88719	0.5
130.99741	3.3
131.03394	34.4
132.03693	1.1
135.29483	0.4
137.09628	5.3
139.03876	0.9
143.03389	1.7
147.04382	0.5
149.04456	75.7
150.04796	2.4
152.01045	1.2
153.01878	1.0
161.04440	1.3
163.11169	1.1
168.06607	0.4
173.04442	0.6
173.05786	0.6
176.95114	0.5
179.05591	0.6
189.09160	1.0
191.05537	22.0
192.05873	0.9
202.13950	0.5
207.10147	2.0
221.06512	0.6
223.09622	0.8
231.10333	0.4
251.07655	0.9
276.11206	0.4
281.08810	0.6
285.07706	0.5
293.08768	0.6
356.80344	0.4
405.55508	0.5
483.14496	0.5
501.19623	3.7
502.19684	0.5
505.20532	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2676
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	69.0
64.15118	0.7
69.21274	6.4
78.95779	10.1
120.66415	0.7
152.99493	12.7
156.36678	0.5
171.00519	2.5
225.22137	0.8
227.03180	1.3
245.04224	5.8
271.22772	100.0
272.23074	9.2
499.26712	28.3
500.26865	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	499.3283
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16003	0.8
51.92601	0.8
53.32213	0.9
56.61034	0.8
57.78071	0.7
59.01253	100.0
63.52832	0.9
67.54784	1.1
71.51537	1.1
74.62359	0.8
78.95785	1.1
91.03869	1.5
119.21677	0.8
142.07590	0.8
152.99484	1.7
159.65300	0.7
191.05469	1.6
247.79156	0.9
301.41251	1.0
305.59503	0.8
347.26154	1.2
365.26877	8.0
366.27365	1.5
499.30588	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	3.9
60.99161	0.4
61.98686	0.9
67.01757	0.8
68.99682	0.6
69.03326	0.9
71.01249	1.7
71.51185	0.4
72.99178	1.1
73.02817	0.7
78.95764	0.7
81.03333	0.9
81.55333	0.3
83.04897	0.9
84.02028	0.5
85.02818	10.9
87.00754	2.9
87.68600	0.3
89.02332	0.6
93.03336	7.6
95.01254	0.5
95.04868	0.4
97.06482	0.4
99.00742	0.4
99.04400	0.5
101.02309	1.9
108.02010	0.4
109.02832	1.8
111.00767	0.4
111.04410	1.9
113.02242	0.5
119.04866	0.3
121.02866	0.5
123.00774	0.4
123.04379	0.7
123.08070	0.3
125.09603	0.4
127.03916	2.6
127.07514	0.5
133.02863	1.0
135.04379	1.1
135.08090	0.3
136.01541	0.6
137.02324	1.5
139.07549	0.3
147.08118	0.3
149.02338	0.6
152.99487	1.2
153.09145	1.5
153.99821	0.3
155.03386	0.6
155.10730	0.3
161.02350	2.1
164.01062	0.3
165.01826	0.5
165.12798	0.3
171.02884	0.8
171.10153	1.6
173.04469	4.4
173.05847	0.5
175.03946	0.3
179.03410	0.9
183.13802	0.4
185.11751	1.1
187.07614	0.6
191.05534	100.0
192.00514	0.6
192.05884	3.0
197.11768	0.7
202.05913	0.3
207.10226	0.4
209.11758	4.1
211.13347	0.5
221.08128	0.7
229.14488	0.3
245.19101	0.3
247.04581	0.9
262.83041	0.3
285.04068	0.3
289.18079	1.1
307.19113	9.8
308.19415	0.8
325.20193	8.4
325.24063	0.3
326.20575	0.7
348.01703	0.3
353.08890	0.3
395.10284	0.3
499.25513	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03302	0.8
57.56296	0.2
59.01247	3.3
60.30012	0.3
61.98689	0.4
62.60296	0.2
67.01752	2.5
71.01264	0.4
71.50780	0.4
72.99172	3.2
73.02811	0.4
78.95796	1.2
78.96205	0.3
83.01256	1.4
85.02822	4.6
87.00749	3.9
87.42904	0.2
93.03338	0.6
96.96838	1.1
99.00713	0.4
101.02322	1.0
102.40096	0.2
111.00758	100.0
112.01064	2.1
116.59495	0.3
121.02834	0.6
129.01819	1.8
133.02850	0.4
135.04442	0.4
152.99516	1.2
154.99760	7.5
156.36632	0.2
173.00821	29.7
174.01196	0.8
179.03471	0.3
186.06905	0.3
187.07510	0.4
191.05525	3.3
192.05850	0.4
209.11731	0.5
214.06204	0.3
215.07063	0.7
229.08716	0.9
273.13647	0.2
280.18021	0.2
285.04092	0.8
307.18784	0.3
325.20111	0.5
402.13348	0.7
499.21545	2.1
500.21964	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13953	0.2
57.19576	0.2
59.01252	1.7
61.98695	0.5
62.58339	0.2
67.01750	0.6
69.03321	0.5
71.01259	1.3
72.99171	0.2
73.02821	0.6
78.95794	0.2
81.03328	0.4
83.01264	0.4
83.04893	0.5
85.02822	8.1
85.78509	0.2
86.03143	0.3
86.57823	0.2
87.00745	2.0
87.04440	0.2
89.02315	0.3
93.03329	3.9
94.03689	0.3
96.96790	0.2
97.02805	0.3
97.06478	0.4
98.20506	0.5
99.00768	0.2
99.04401	0.3
101.02352	0.5
102.38931	0.2
108.02053	2.1
109.02835	2.3
111.04388	1.1
113.02322	0.5
121.02827	1.4
123.04417	1.9
127.03909	2.0
134.03647	1.2
135.04436	0.2
137.02361	0.3
137.11235	0.2
139.03932	1.3
141.05374	0.2
143.03444	0.3
149.04453	0.3
152.01067	2.0
153.01826	0.9
155.03354	0.4
159.04376	0.3
169.08514	0.2
171.02866	0.8
173.04469	2.7
185.29353	0.3
187.03928	1.8
187.07507	1.3
191.05534	100.0
192.05878	4.3
193.05984	0.4
202.06311	3.0
203.06728	0.3
205.08675	0.3
213.09271	0.3
215.07115	0.5
231.10204	0.7
233.79750	0.2
247.09837	0.4
263.12769	0.4
271.75006	0.2
275.09256	0.3
289.10825	1.0
307.11887	2.0
315.07159	0.3
325.13010	0.6
436.89902	0.2
452.33380	0.4
463.21799	0.4
481.17181	3.1
499.18359	4.7
500.18982	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01229	0.3
60.99178	0.4
67.01756	0.9
69.03319	0.4
71.01239	0.4
71.27128	0.4
71.27454	0.3
72.98062	0.3
79.61201	0.3
81.06773	0.2
85.02823	2.3
85.57845	0.3
87.00746	1.5
93.03330	6.4
109.02836	0.4
111.04406	1.1
127.03949	0.5
133.02850	0.3
135.04417	3.0
161.02359	2.5
173.04478	3.8
179.03421	3.1
183.49088	0.3
191.05533	100.0
192.05843	3.5
192.64709	0.3
202.11113	0.3
259.64664	0.3
306.85736	0.4
307.08224	0.7
308.54599	0.3
345.10422	0.2
353.08737	14.1
354.09027	1.6
357.93118	0.3
379.29645	0.3
499.14542	7.8
500.15030	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	1.3
59.01242	11.2
61.98691	3.5
67.01759	3.9
68.99689	2.1
69.03311	2.4
69.23624	10.3
71.01259	11.4
72.99172	14.1
73.02808	2.9
73.13760	1.1
75.00747	1.1
76.28071	1.0
81.03336	2.1
83.04906	1.3
85.02824	15.2
87.00748	8.0
87.04363	2.2
88.16714	1.1
89.02334	7.6
93.03333	23.7
95.01267	1.3
96.40473	1.0
96.95877	2.4
97.06477	1.5
98.20605	2.3
99.00748	1.9
101.02319	7.1
108.02044	14.8
109.02147	1.7
109.02836	20.2
111.00769	1.6
111.04384	5.1
113.02328	3.2
116.05735	1.2
118.87571	0.9
119.03429	1.1
121.02849	10.8
123.00767	1.8
123.04409	11.6
125.02336	3.1
127.03908	3.3
129.01826	1.3
133.02879	1.3
134.03639	3.3
135.04401	2.5
136.01572	2.9
137.02324	4.3
139.03917	6.6
143.03438	1.2
146.03650	1.4
149.04372	1.1
151.03912	2.7
151.68996	1.0
152.01028	14.3
153.01833	9.7
155.03391	1.4
159.04495	1.5
161.04469	2.4
165.01862	1.9
165.05441	1.0
173.04483	28.0
173.05911	1.9
174.03256	1.0
175.03883	1.9
175.07568	3.2
187.07631	2.6
188.04604	1.2
189.05402	1.5
189.09102	1.1
191.05533	100.0
192.05836	4.5
199.07512	1.6
203.07158	2.3
205.12265	1.1
209.11705	1.8
215.07054	3.7
217.08714	2.0
219.06636	1.5
233.08229	6.3
235.09665	1.2
247.04572	8.7
255.06752	1.0
271.05847	1.1
284.08606	1.0
289.07303	2.6
293.10464	1.5
307.08301	1.3
325.12982	3.1
467.15634	3.4
481.17569	2.3
499.18393	31.8
500.18979	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.252
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03304	1.1
57.75971	0.4
59.01252	4.1
61.98679	0.5
67.01747	0.6
69.03304	0.5
69.24786	3.8
71.01238	0.4
71.04891	7.2
78.95775	12.2
83.04877	1.8
87.00789	0.5
88.98692	0.4
93.03342	4.7
96.96835	0.9
97.02842	0.6
97.06497	0.5
98.19819	0.7
99.00751	0.7
111.00774	0.6
111.04366	0.7
125.09611	0.8
134.03621	0.4
135.04404	1.7
152.99492	12.1
171.00545	1.6
173.04520	1.8
182.25218	0.4
182.55568	0.4
187.09639	0.9
191.05524	4.9
192.05872	0.5
195.13821	0.6
195.17467	1.3
197.19023	15.1
198.19383	0.8
205.29510	0.4
211.13374	0.7
223.20619	6.2
225.22191	20.6
226.22534	1.7
227.03189	1.5
230.59926	0.4
245.04301	1.4
249.57498	0.4
251.20129	3.3
269.21207	100.0
269.55603	0.4
270.21555	8.1
277.21677	0.4
281.10101	0.8
291.19440	0.6
295.22672	1.6
297.59378	0.4
334.83929	0.5
497.25214	22.5
498.25537	2.9
511.54791	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	1.2
58.00473	0.8
59.01244	6.5
61.88477	0.4
61.98689	0.8
62.34227	0.5
67.01751	0.7
69.03316	1.2
71.01257	4.3
71.51234	0.6
72.67595	0.4
73.02827	2.1
75.72377	0.5
77.43579	0.4
78.95778	1.1
81.03307	0.7
83.04875	0.5
85.02818	3.9
87.00759	1.5
87.04391	11.4
89.02302	0.9
90.31546	0.4
93.03338	3.8
95.01272	0.5
95.04901	1.4
97.02831	2.5
97.06465	0.6
99.00831	0.4
99.04408	0.9
101.02315	3.7
105.24900	0.4
108.02068	1.0
109.02846	1.0
109.06490	0.7
111.04405	0.9
111.08097	0.5
113.02338	0.9
115.03912	0.4
121.02853	0.9
122.03606	1.4
123.04408	100.0
124.04720	2.8
125.02352	1.8
125.05941	0.9
127.03895	0.6
133.02835	0.5
135.04398	1.2
135.08047	1.2
137.02350	0.6
137.06061	1.0
137.09615	8.5
139.07535	1.9
139.11174	0.6
141.09109	0.6
151.11224	1.4
153.05479	99.6
154.05829	3.3
155.10681	38.8
156.11015	2.0
161.02376	0.8
163.07507	0.6
163.11215	0.9
167.10664	0.8
169.12242	1.8
173.04529	1.6
174.98273	0.5
177.09116	0.8
179.03394	0.8
179.10675	4.2
181.08644	3.3
191.05536	13.8
191.10727	2.8
192.05724	0.6
193.12334	1.0
195.06621	0.6
195.10188	2.6
197.71283	0.5
199.09695	34.0
200.10081	1.5
209.11790	0.7
213.11278	1.7
219.16148	0.5
223.09732	1.3
225.11278	0.7
225.68251	0.4
227.12904	0.5
237.11320	1.4
241.10789	10.8
242.10930	0.4
253.10869	3.1
255.12271	2.5
283.11844	17.3
284.12222	1.0
329.22488	0.5
343.13919	10.6
344.14496	0.5
471.73865	0.5
478.63116	0.5
497.20297	36.4
498.20718	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	497.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03347	0.4
59.01258	1.9
61.98713	0.8
67.01761	0.3
69.03333	0.6
71.01283	1.0
71.51302	0.4
72.98651	0.2
73.02833	0.7
78.95809	0.3
81.03368	0.7
85.02825	1.5
87.00764	0.6
87.04412	1.1
89.02346	0.4
91.01806	0.5
93.03333	1.9
95.01283	0.4
97.02850	0.6
101.02354	0.9
108.02049	4.2
109.02834	78.2
110.03147	1.6
111.04433	0.3
123.04398	0.9
124.01578	1.4
125.02338	5.1
133.02846	0.8
135.04401	1.9
137.02345	0.8
137.09621	0.7
139.11180	0.5
149.99457	1.6
151.03842	0.3
152.01048	1.1
153.01836	100.0
154.02167	3.0
155.10686	3.2
161.02335	1.1
168.00583	3.1
169.01321	4.2
169.04927	0.3
169.12233	0.3
173.04485	1.5
177.01817	0.3
179.03392	0.8
179.10698	0.3
181.08598	0.4
183.10214	1.2
185.05591	0.3
189.05402	0.3
191.05547	6.2
192.05835	0.5
195.10173	0.3
199.09694	7.1
203.10657	0.7
213.11211	0.3
225.11220	0.5
241.10762	2.0
255.12253	0.3
283.11862	3.4
284.03091	0.9
299.05414	1.0
343.10223	0.4
343.13898	3.8
497.16098	9.2
497.27460	0.5
498.16800	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93561	0.3
54.79644	0.3
59.01245	2.0
61.98689	1.2
69.03333	0.6
69.29675	3.0
71.01232	0.8
72.75935	0.3
73.02808	0.4
81.03320	0.8
85.02810	1.0
87.00742	0.6
87.04380	0.8
89.02299	0.3
91.01778	0.6
93.03332	1.2
95.01217	0.3
101.02278	0.8
108.02042	4.2
109.02832	82.0
110.03161	2.3
121.09459	0.4
123.00753	0.6
123.04408	0.3
125.02331	0.9
135.04391	0.4
137.09586	0.6
139.11160	0.5
152.01038	0.7
153.01834	100.0
154.02162	3.9
155.10681	3.5
163.74995	0.4
168.00533	0.5
169.01286	0.6
173.04437	0.7
179.03348	0.3
179.10698	0.5
181.08546	0.5
183.10124	0.5
191.05542	3.0
191.10606	0.4
199.09685	6.0
237.14638	0.3
241.10811	1.6
261.55981	0.4
283.11813	2.8
284.03220	0.8
299.05548	1.1
313.33356	0.4
330.90158	0.3
343.13867	2.9
497.16797	3.1
497.27542	0.9
498.20404	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16252	0.2
59.01226	0.5
61.98699	3.7
69.43437	2.5
69.65810	0.3
85.02792	0.3
92.56731	0.3
93.03307	0.6
101.02305	0.3
113.02271	0.3
119.94961	0.3
123.04398	0.6
130.96309	0.3
133.02797	0.6
134.03627	0.4
151.00258	0.7
191.05513	2.9
227.03386	0.3
227.55634	0.3
241.08604	0.3
255.02898	2.4
256.03601	1.5
283.02420	1.1
284.03250	59.7
285.03598	5.5
297.04114	0.9
299.05594	100.0
300.05954	9.5
335.21039	0.4
341.06665	0.8
376.09412	0.3
447.09348	0.6
461.10980	1.4
497.08948	0.7
497.16357	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.151
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04782	6.3
59.01246	100.0
61.98686	10.4
62.85161	5.3
67.33921	5.9
71.01251	49.9
71.11409	5.5
72.99166	14.3
73.02814	11.8
75.00739	7.3
85.02818	20.5
87.00727	7.9
89.02336	31.4
89.02818	7.5
89.57669	6.3
93.03328	42.5
93.39604	7.0
101.02315	29.4
107.04920	9.6
109.02817	14.4
111.04436	7.9
113.02310	14.7
119.03385	9.0
121.02894	10.5
123.04417	30.0
125.05950	8.7
133.02849	10.8
135.04466	7.0
141.05397	11.2
149.02408	7.9
150.40366	6.0
151.03923	26.4
153.05469	13.6
173.04449	11.5
177.01866	8.5
181.04927	11.4
191.05536	44.5
249.07745	8.7
497.16132	9.6
497.22595	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	497.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56241	3.3
59.01253	100.0
61.98697	14.9
69.03345	4.1
70.84514	8.7
71.01261	38.1
73.02821	5.3
75.00751	6.0
78.60334	4.1
81.03319	3.6
83.01247	5.9
85.02826	16.9
87.00767	5.7
89.02316	22.8
93.03345	42.5
95.01228	9.0
101.02335	24.3
104.04115	3.7
105.03302	4.6
105.99922	3.4
107.04904	6.2
109.02866	12.0
110.02412	5.0
111.04408	3.8
113.02343	15.6
119.03439	9.4
121.02844	4.4
123.04385	32.4
125.05981	6.9
133.02879	7.9
135.04367	5.2
137.02272	6.5
139.03935	6.2
141.05472	16.6
149.02397	4.2
151.03897	38.0
153.05466	16.3
161.02295	4.7
169.05002	9.3
173.04475	7.2
181.04973	20.5
191.05551	48.4
199.06075	6.9
209.05800	3.9
241.00551	3.3
277.95697	3.4
333.88300	3.9
381.93082	4.3
405.10321	13.3
497.16357	6.5
497.26355	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	495.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	2.1
59.72345	1.7
70.02006	3.5
70.02413	7.6
78.95773	51.7
78.96225	3.3
96.96854	3.1
108.74670	1.8
113.42648	1.9
151.33188	1.9
152.99489	69.0
171.00490	16.4
227.03214	3.2
245.04280	100.0
254.34512	2.2
267.23282	62.4
268.23590	5.7
281.25009	13.0
320.86020	2.0
458.55310	2.1
495.27246	29.2
496.27701	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	496.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
57.25159	0.7
59.01251	17.8
60.01591	2.2
61.01669	2.1
61.07452	0.8
61.98701	100.0
62.98367	0.7
63.99121	4.5
68.99707	0.9
69.03329	2.2
71.01262	1.4
71.51453	1.1
75.00754	1.7
85.02816	0.9
87.00777	0.9
89.02305	1.7
93.03329	3.3
96.35418	0.7
101.02322	3.3
102.02694	0.7
103.02753	1.1
107.01259	0.8
109.02818	0.9
113.02368	1.3
120.99475	1.0
125.02320	1.1
135.04420	1.6
137.02368	1.9
139.00354	1.3
151.00331	2.1
152.01097	0.9
153.01836	1.6
166.99945	0.9
173.04494	1.5
178.99788	1.0
191.05519	5.6
268.03735	0.9
269.04306	1.3
270.04510	0.7
271.11002	1.2
272.11334	1.1
284.03088	0.9
433.10730	3.5
460.28113	0.7
487.38589	0.8
496.32343	1.9
497.16641	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	495.2082
Annotation	NS-304
Peak:m/z	Relative Intensity
52.14794	0.5
54.49494	0.4
57.03312	1.1
58.00469	0.8
59.01247	17.3
59.40741	0.5
61.98703	14.1
69.03326	1.2
69.52200	3.8
71.01251	16.3
71.04908	0.9
72.99173	4.1
73.02815	5.7
75.00723	0.5
83.01253	2.2
85.02821	14.0
85.06464	1.1
87.00736	3.0
89.02308	9.1
93.03330	1.2
95.01257	0.6
95.04906	0.8
97.02845	0.8
99.00749	3.0
99.04395	1.2
101.02316	11.1
107.04899	0.5
111.00752	1.1
113.02331	3.8
115.03912	0.6
119.03400	1.0
123.04384	0.8
125.02342	1.5
127.07552	0.9
130.40639	0.7
131.03409	6.3
137.02344	1.6
139.11188	0.8
143.03435	0.6
149.04498	1.1
149.05930	0.6
150.03113	1.3
151.03889	0.9
161.04465	0.9
161.05937	0.6
165.05469	2.3
183.10191	3.0
191.03836	0.8
191.05461	4.0
201.11256	6.7
202.11661	0.8
281.06680	1.9
345.15552	0.9
363.16553	6.7
407.30884	0.7
477.19458	1.3
495.20819	100.0
496.14157	1.0
496.21109	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	495.2081
Annotation	Selexipag
Peak:m/z	Relative Intensity
52.11696	0.4
58.00445	0.8
59.01247	7.5
61.98695	1.3
69.03307	0.7
71.01245	7.2
71.51161	0.9
72.99176	0.8
73.02818	4.1
75.00755	2.2
82.89341	0.5
83.01260	0.7
85.02819	2.2
87.00752	0.6
87.04376	2.7
89.02319	4.6
93.03342	0.7
99.00761	0.8
101.02319	5.0
108.02026	1.5
109.02798	0.8
113.02328	2.7
119.03395	0.9
120.99544	5.3
125.02313	1.1
135.08020	1.8
137.09628	9.2
139.11172	0.6
143.06967	0.7
151.06035	2.3
152.01031	0.7
153.01704	0.5
155.10684	53.9
156.11012	2.9
161.04463	0.7
169.12224	1.5
173.04462	0.9
181.08607	2.0
191.05528	3.2
199.09685	21.0
200.10001	0.8
213.11267	1.1
233.49521	0.5
241.10751	5.5
257.89053	0.5
276.47595	0.4
277.07214	0.7
301.12790	1.3
313.11542	0.6
333.19101	0.8
344.09720	0.5
388.15097	0.5
435.25836	0.6
495.20715	100.0
496.21069	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	495.1509
Annotation	Aquaticoside B
Peak:m/z	Relative Intensity
53.05795	0.8
57.03284	0.8
59.01246	10.0
61.98685	3.5
68.99678	2.1
71.01250	17.8
71.50343	1.2
73.02809	3.2
75.00765	1.1
78.95783	0.8
83.01260	2.2
85.02815	6.0
87.00735	2.2
89.02324	5.1
93.03332	35.2
94.03644	1.2
95.01249	1.5
96.96794	0.9
96.99207	1.3
97.02815	1.0
97.06432	1.1
99.00750	1.7
101.02319	13.8
102.02659	1.1
108.02046	2.2
113.02325	5.9
119.03358	1.0
121.02837	4.2
122.03629	7.1
123.04405	1.8
125.02309	1.2
131.03386	1.5
133.02875	0.9
135.04382	2.0
136.01559	3.4
137.02341	77.4
138.02699	2.8
147.04362	2.1
149.02368	4.1
149.04428	2.6
150.03125	63.0
151.03654	2.6
153.01848	1.0
153.05479	6.5
163.04102	0.7
165.05478	95.5
166.05843	3.6
179.03438	1.3
191.03485	1.7
191.05499	3.8
221.04524	1.1
281.06650	100.0
282.06964	6.7
363.16632	1.4
424.11096	1.0
477.20123	1.2
495.14929	72.9
495.21002	10.5
496.15521	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	495.1511
Annotation	Curculigine
Peak:m/z	Relative Intensity
55.64516	0.8
56.39185	0.7
59.01242	2.6
61.98683	1.2
63.34437	0.9
69.03336	1.7
69.44598	1.0
71.01237	6.0
73.02803	1.9
81.03333	2.5
83.01230	0.8
85.02823	7.5
87.00749	1.7
89.02344	1.0
93.03327	3.1
95.01262	4.6
95.04929	0.8
98.19743	1.8
101.02335	2.4
107.04864	1.0
108.02051	100.0
109.02843	61.9
109.03627	1.7
110.03191	1.6
112.28002	1.0
113.02286	2.3
121.02846	2.2
123.00745	3.9
123.04412	1.4
124.01517	1.5
133.02803	1.0
135.04398	1.5
136.01523	1.8
151.03911	9.4
152.01053	90.7
153.01846	29.6
153.09134	6.3
154.02197	1.5
163.03917	1.0
165.01828	1.2
167.03412	1.9
167.19742	0.8
173.04411	1.0
191.05518	8.4
199.09645	1.0
201.05501	1.6
283.11771	1.0
315.07175	2.1
389.35818	0.9
451.16074	32.4
452.16476	3.8
477.13651	1.1
495.15070	92.5
496.15436	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	494.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34986	1.3
58.00460	4.2
59.01255	100.0
68.99685	18.0
69.03326	16.7
70.75662	1.5
71.01256	75.6
71.39134	2.1
72.99190	5.3
73.02814	2.4
78.95760	1.6
83.01268	2.6
85.02824	11.1
87.00765	3.9
89.02321	82.5
93.03337	2.4
95.01256	6.6
101.02332	53.8
113.02334	22.2
119.03396	26.0
121.02852	3.9
131.03406	3.2
135.06818	2.5
143.03444	3.5
149.02361	3.4
149.04462	1.9
150.09142	18.5
152.99506	1.8
153.43242	1.6
161.04517	2.2
171.58598	1.9
173.04521	2.5
179.05545	4.7
181.04985	5.7
191.05547	7.1
202.08707	8.9
230.08321	1.9
230.11823	10.8
244.09886	3.2
262.10825	17.7
293.94223	1.6
314.13980	8.1
494.20828	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	494.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98701	100.0
78.06514	1.3
78.95784	4.1
96.96829	1.3
99.31794	1.3
119.05000	1.8
120.00574	1.2
131.47511	1.3
144.64406	1.5
145.02844	5.0
152.99501	6.5
247.90788	1.4
431.24213	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	495.078
Annotation	Hibiscetin 3-glucoside
Peak:m/z	Relative Intensity
55.32725	2.0
59.01254	14.7
61.98707	5.1
65.00185	5.1
69.03314	3.6
70.25025	2.4
70.69396	2.1
71.01251	9.5
72.99174	14.1
80.07107	2.2
83.01243	5.0
85.02805	5.4
87.00766	3.4
89.02315	7.0
93.03333	4.8
95.01268	5.2
97.02812	3.6
101.02310	7.6
107.01260	14.7
109.02843	9.6
111.00759	6.4
113.02316	2.9
119.03381	4.2
119.04935	3.3
121.02935	2.0
123.00757	11.9
125.02340	34.8
131.01328	2.2
133.02795	5.5
137.02312	8.5
139.00267	15.7
141.01814	4.4
145.02773	2.3
149.02301	5.2
149.06117	2.4
151.00275	65.7
152.00746	2.2
153.01842	17.4
159.04472	3.2
161.02435	3.1
162.38513	2.1
163.00272	12.3
163.03929	3.4
165.01842	5.4
166.99757	12.6
167.03300	2.6
168.00514	3.1
169.01334	100.0
169.02800	4.7
170.01689	3.2
173.04440	3.5
175.00311	11.2
176.01051	3.5
177.01819	9.7
178.99776	26.0
179.03357	7.1
181.01329	14.5
189.01878	2.8
189.05513	3.8
190.99759	5.1
191.05547	19.8
193.01328	9.9
194.99251	7.9
197.00797	8.2
199.03853	2.7
205.01483	2.9
206.99284	26.2
208.00032	6.6
214.02753	3.9
215.03452	3.9
217.04982	5.2
219.02843	3.3
219.99828	2.3
222.98798	5.3
230.02266	3.7
231.02879	6.9
233.04544	16.5
242.01726	3.2
243.02913	14.1
245.00858	3.3
245.04474	3.3
258.01627	4.7
259.02478	11.5
260.03088	2.8
261.04044	10.9
270.01544	2.3
271.02527	10.2
273.03894	3.3
285.01297	2.3
285.03894	11.8
287.02005	7.0
289.03564	6.8
303.05258	3.2
305.03049	5.0
307.07904	2.2
313.05563	3.0
315.01581	3.8
315.04926	11.4
330.05795	5.4
332.01431	3.7
333.02567	24.5
333.06128	5.6
341.05002	5.6
344.07339	2.5
346.71463	2.1
355.06769	2.3
369.04510	9.6
370.05029	3.7
371.06015	7.0
409.08185	2.7
421.07666	5.4
423.09320	15.5
434.24414	4.0
435.25165	3.2
447.09134	4.5
449.06992	3.8
450.76767	2.4
451.08844	5.7
463.22641	2.2
467.08237	5.0
477.06625	7.8
478.07153	2.9
495.07181	18.1
495.20547	3.4
496.07953	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	493.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	4.2
57.03310	5.8
58.00447	2.8
59.00960	5.4
59.01250	100.0
61.98707	21.8
65.41444	2.3
68.99670	2.8
69.03317	4.0
69.38560	5.2
69.38960	17.9
71.01252	80.3
72.99172	7.1
73.02827	15.2
74.98957	3.3
75.00732	10.1
83.01244	8.3
85.02818	30.1
87.00758	5.0
89.02315	44.4
93.03310	4.0
95.01247	5.9
97.02824	4.2
99.00739	7.2
101.02324	58.1
113.02335	31.2
119.03378	16.3
120.28716	3.1
121.02832	4.6
131.03410	2.9
135.04332	2.5
136.99066	2.5
143.03342	5.3
159.02872	3.1
161.04477	24.3
166.06216	6.6
167.03317	2.8
179.05539	14.8
181.08559	5.7
191.05560	13.1
266.29428	2.6
271.19113	5.0
315.18039	2.8
331.17688	14.3
363.20078	3.4
411.62335	3.0
411.97974	2.6
433.24384	46.2
434.24512	5.4
493.22711	28.3
493.30093	6.5
494.23038	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	494.0941
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08391	0.2
59.01248	2.7
61.98701	100.0
65.72952	0.2
67.53525	0.2
71.01268	1.1
71.50673	0.2
73.02827	0.3
75.00751	0.6
83.01280	0.2
85.02834	0.4
89.02321	0.4
95.16069	0.2
101.02336	0.9
101.91530	0.2
113.02348	0.4
116.23802	0.2
119.03427	0.2
119.04932	0.3
119.21887	0.2
122.11006	0.2
149.02448	0.3
151.00258	0.4
155.10672	0.4
167.05186	0.2
168.66675	0.2
184.59738	0.2
191.05547	0.5
198.73973	0.2
204.15892	0.3
239.03494	0.4
240.04259	0.4
265.72079	0.2
268.03757	12.5
269.04413	4.4
270.05051	0.4
284.85818	0.2
312.95007	0.2
431.09833	13.3
432.09912	1.3
494.19653	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.7
57.03318	1.2
58.00470	2.8
59.01249	100.0
60.01587	1.1
61.98703	1.3
68.99693	0.6
69.03322	0.7
69.19364	1.5
69.19781	2.8
71.01252	44.9
72.01583	0.8
72.99176	3.7
73.02818	3.1
75.00742	1.9
80.22623	0.4
83.01253	1.4
85.02822	8.0
87.00752	4.8
89.02316	64.7
90.02644	1.3
93.03333	1.1
95.01263	2.8
96.95943	0.5
97.02848	0.6
97.06474	0.7
99.00721	1.0
101.02319	28.1
102.02635	0.5
113.02330	21.1
114.02679	0.6
118.97979	4.9
119.03388	28.4
120.03748	0.5
123.04404	0.6
125.02367	0.8
131.03392	4.6
135.04396	0.9
143.03395	7.9
147.04468	0.4
149.04469	3.4
150.03142	0.8
155.10667	3.5
159.02913	0.5
159.10159	0.5
161.02402	0.6
161.04465	10.6
173.04474	0.6
179.05528	32.8
180.05891	0.8
181.04832	0.4
191.05540	6.4
192.05870	0.9
197.08084	0.4
199.09727	3.0
206.36209	0.5
271.19006	0.7
279.97626	0.4
289.89099	0.5
321.15338	1.8
331.17603	1.6
363.20142	0.6
378.82928	0.4
429.14188	0.4
433.24347	9.4
434.24573	1.0
451.32959	2.2
475.17099	0.6
493.10779	0.5
493.18704	6.5
493.30084	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	493.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00468	0.5
59.01253	100.0
60.01588	0.8
61.98705	33.5
67.01781	0.4
68.99691	6.1
69.03329	16.2
69.42013	2.4
71.01258	8.2
72.99204	0.6
75.00757	0.9
77.39443	0.2
83.01286	0.8
85.02836	1.3
87.00764	0.7
89.02316	9.5
89.02830	0.6
93.03339	0.4
95.01277	0.5
98.20610	0.5
101.02326	21.3
102.02676	0.8
113.02330	2.6
119.03369	2.6
131.03413	0.6
137.09659	0.4
138.72716	0.3
143.03419	0.5
149.04524	0.3
155.10666	2.3
159.50430	0.3
161.04466	0.5
172.58682	0.3
179.05585	0.9
191.05505	0.6
199.09760	0.6
201.07626	5.8
202.08006	0.4
239.09187	0.3
268.03796	4.5
269.04697	1.3
271.11884	3.7
275.76776	0.3
287.65417	0.3
417.17981	0.4
431.09830	3.8
433.17249	0.3
493.12872	0.5
493.18988	2.2
494.19757	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00454	3.9
59.01251	100.0
60.70988	1.8
60.88874	1.7
61.98724	9.8
65.00195	5.5
68.99684	2.7
69.03322	4.6
71.01251	61.1
71.50811	3.2
72.99157	6.0
73.02808	6.0
75.00735	10.1
81.03304	2.2
82.80894	2.1
83.01261	9.7
85.02826	16.0
87.00755	3.6
89.02315	60.6
93.03333	4.6
95.01254	8.9
97.02827	4.0
99.00780	4.4
101.02322	36.0
106.43202	2.1
107.01258	8.4
108.02026	2.6
109.02842	4.8
111.00755	24.4
113.02318	19.4
119.03378	24.7
120.99507	5.9
123.00767	5.6
123.04403	3.2
124.01508	3.5
125.02336	20.5
131.03386	5.0
135.00783	3.5
135.04387	2.5
136.01537	4.3
137.02312	12.1
139.00269	75.7
139.01372	3.7
141.01787	3.2
143.03377	6.6
148.05144	2.9
149.02283	2.3
149.04465	4.9
150.03059	2.5
151.00275	41.6
151.03911	6.3
152.00916	5.8
152.09154	1.9
153.01830	18.4
157.80573	2.1
161.04396	8.4
163.00262	8.8
164.01007	5.8
165.01808	9.4
166.99741	4.4
167.03357	3.1
169.01289	2.5
171.04460	2.8
173.05878	2.5
174.03011	2.6
175.00232	6.4
175.03954	2.3
176.01172	3.4
177.01874	13.2
178.99728	6.9
179.05501	24.9
181.01318	10.6
183.04417	2.3
185.02295	2.0
186.03035	3.2
187.03967	3.6
190.99744	2.4
191.03354	3.7
191.05496	13.1
192.07814	2.2
193.01459	2.2
198.03076	3.1
199.03893	3.0
200.04605	3.1
200.36678	2.2
201.01828	9.0
201.05434	2.8
202.02583	3.4
203.03386	4.4
213.48500	2.0
214.02617	3.8
215.03400	5.6
216.04117	4.8
226.02567	5.5
227.03529	10.1
229.01311	5.9
231.02773	5.0
232.03468	2.6
233.06432	4.6
242.02179	22.5
243.02919	18.3
244.03642	5.0
254.02182	4.3
255.03026	11.3
256.03381	2.9
259.02335	5.8
259.06104	3.0
260.03140	5.5
269.04547	4.6
270.01636	19.5
271.02435	35.1
272.03171	9.9
275.05469	7.8
285.03839	2.7
287.01907	11.1
287.05530	40.8
288.02670	2.6
288.05731	5.0
293.08768	19.0
298.01117	11.1
299.02026	21.5
299.05185	3.3
300.02469	3.7
301.05695	4.6
303.05084	36.7
313.03143	15.3
315.01447	18.5
316.02182	24.8
317.02597	2.2
327.05118	3.0
330.03546	9.2
331.04578	97.9
332.04886	8.9
341.05075	5.7
373.05380	2.8
433.07782	14.4
433.24384	24.5
434.24664	3.1
461.07239	83.7
462.07529	13.0
465.10229	9.6
471.71100	2.7
478.07373	8.9
493.09686	71.5
493.16068	5.0
493.22467	5.2
493.29233	9.9
494.10089	12.4
494.30499	2.7
505.07874	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	0.9
58.62575	0.8
59.01253	2.5
60.99174	2.0
61.89499	0.7
61.98711	0.9
65.00169	1.0
67.01759	3.4
69.03353	1.1
70.84193	3.0
71.01266	2.8
78.95747	1.2
83.26471	0.8
85.02845	1.8
87.00755	6.3
93.03340	29.9
107.01260	1.2
109.02828	1.2
111.04408	3.3
117.03379	0.9
120.99550	1.7
125.02299	1.4
133.02838	3.3
134.03636	2.8
135.04420	12.5
137.02371	2.5
139.03928	1.2
145.02812	2.6
149.02338	1.5
151.00262	3.7
151.03925	2.0
152.99463	1.5
155.03494	1.2
158.03589	0.9
160.01556	3.1
161.02371	21.4
173.04485	19.8
173.05898	0.6
174.03191	1.4
177.01851	1.5
178.02629	1.4
179.03430	3.9
180.03824	0.9
180.65118	0.8
183.04434	2.7
185.02351	5.5
187.00253	1.8
187.03897	1.2
191.05553	24.1
192.05916	1.0
198.03082	4.6
199.03880	3.0
201.01871	2.9
202.02696	3.1
203.03468	9.4
214.02606	4.6
215.03413	3.0
221.73288	1.0
226.02719	7.2
227.03464	20.0
228.03809	1.6
229.01369	2.1
242.02173	7.3
243.02917	7.6
270.01724	14.1
271.02460	22.3
272.03250	13.8
273.03647	1.4
274.01196	1.6
283.02371	1.1
284.03168	1.6
285.04037	24.7
286.04398	1.5
299.01962	67.2
300.02740	80.0
301.03348	11.1
313.03558	100.0
314.04276	71.1
315.05069	43.1
316.05469	2.5
367.10260	3.1
461.14059	1.5
475.10355	3.8
493.11209	21.1
493.17371	7.0
494.11539	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	493.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01576	0.7
61.98699	19.9
68.99686	7.0
69.03323	16.0
69.49168	2.3
71.01250	6.9
71.01618	0.5
75.00726	1.0
83.01267	1.0
85.02850	1.3
89.02312	9.2
98.19785	0.5
101.02319	22.1
113.02319	2.2
119.03378	3.1
137.09622	0.4
143.03384	0.6
144.97313	0.4
149.04425	0.4
155.10707	1.0
161.04585	0.5
169.28482	0.3
179.05557	1.0
181.45940	0.4
189.47859	0.4
194.11386	0.4
196.56767	0.3
199.09724	0.6
201.07596	5.7
201.09129	0.4
239.09241	0.8
241.10831	0.4
244.85725	0.4
268.03729	3.3
268.06168	0.3
269.04633	0.7
271.11786	3.7
431.10132	1.8
433.17001	0.6
453.12329	0.4
493.19705	1.1
493.30084	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00465	4.9
58.06535	0.9
59.01247	66.9
62.09632	0.8
63.13128	0.9
65.48077	0.8
71.01250	40.7
71.18924	0.9
72.99175	3.5
75.00706	1.1
77.61009	0.9
85.02802	4.7
87.00752	1.4
89.02312	66.0
99.60458	1.0
101.02310	4.6
113.02341	6.3
119.03380	2.3
119.04881	1.3
121.99309	0.9
131.03401	6.6
137.09654	1.0
141.83214	0.8
145.02838	2.1
149.04440	11.3
155.10721	5.9
163.03925	1.2
173.04422	1.6
185.84421	0.8
190.26823	0.9
191.05493	4.7
199.09723	3.0
223.09705	2.4
224.04738	1.6
225.09148	1.2
238.06340	3.5
239.10667	1.4
241.08577	2.2
241.10741	1.1
251.06836	1.0
254.09518	1.1
255.10309	6.0
265.08777	1.0
266.05832	2.7
267.10291	1.4
269.11630	1.8
270.01801	1.0
270.12527	1.5
281.04556	1.4
282.09015	1.4
283.09735	30.7
284.10226	2.7
285.04016	1.8
294.08942	2.1
295.09811	2.6
296.10458	1.4
298.12045	3.9
310.08432	1.4
310.11920	1.5
311.09238	63.6
312.09637	4.9
313.03375	2.7
313.10669	2.1
325.10788	6.9
326.11575	40.6
327.11826	2.1
329.06693	2.2
341.10275	7.7
341.13901	100.0
342.10809	1.4
342.14270	8.6
359.15179	1.4
429.97351	1.0
456.21280	1.3
491.11362	1.4
491.15570	1.7
491.21454	7.7
492.21814	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	492.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	0.7
59.01253	1.6
71.01243	0.3
71.37760	0.7
78.95779	13.9
83.04903	0.3
84.92889	0.3
96.96816	0.5
97.06464	0.6
99.07986	0.3
104.87528	0.3
113.09610	2.4
135.04393	0.4
140.01093	3.1
148.05165	0.5
152.99474	2.2
161.02324	0.8
163.07552	0.3
166.35107	0.3
171.00504	1.1
177.12750	0.4
179.03279	0.4
179.14325	1.0
181.12218	0.6
191.05522	0.8
195.13844	16.8
196.03773	2.0
196.14148	0.7
214.02765	0.5
214.04803	5.2
233.22664	0.3
251.23833	0.5
277.21744	15.4
278.21802	1.3
293.21390	0.4
295.22781	100.0
296.23126	9.6
316.06778	0.3
492.27347	25.1
493.27725	3.5
505.70053	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1142
Annotation	5'-Methoxyhydnocarpin-D
Peak:m/z	Relative Intensity
59.01242	0.7
63.02281	0.8
64.99899	0.5
65.00176	2.2
69.16827	3.4
83.01263	0.9
85.02806	0.3
87.31687	0.3
93.03332	0.8
105.03325	0.4
107.01273	3.7
125.02335	0.7
129.06987	0.4
132.02075	0.8
133.02859	13.0
134.03226	0.7
149.02321	2.6
151.00279	8.3
154.43066	0.4
155.04941	0.5
159.04318	0.4
161.02356	1.4
165.30719	0.4
171.04422	0.8
173.04501	0.6
175.03926	3.5
177.01897	0.5
183.04486	0.9
185.02386	0.5
187.03903	0.4
191.05528	1.4
197.05922	0.4
198.03191	0.6
199.03954	4.3
201.01923	1.2
211.03976	0.6
212.04645	0.4
213.05568	0.5
215.03432	0.6
217.05022	2.0
223.03874	0.5
226.02718	0.6
227.03482	2.9
241.05005	1.0
243.02914	1.3
255.02979	21.2
256.03745	25.0
257.04257	2.3
271.02576	0.8
272.03210	0.8
281.04596	0.8
283.02493	41.3
284.03256	69.8
285.04034	100.0
286.04391	7.3
298.04971	0.6
299.02042	2.9
299.05103	0.7
300.02759	3.7
301.03180	0.9
307.19290	0.5
313.03510	3.2
314.04291	2.4
315.04990	2.3
326.04266	1.2
327.04974	0.9
475.10318	1.6
493.11420	15.6
494.11758	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	491.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	7.0
60.95540	1.8
69.45267	14.5
71.01250	8.5
73.02821	5.3
78.95762	5.4
89.02313	17.4
96.95896	5.2
96.96884	3.2
98.19895	3.2
101.02325	3.9
103.03864	3.0
109.02789	2.3
131.03404	7.8
135.04402	5.0
149.04468	100.0
150.04810	4.2
159.04384	2.2
162.03061	3.4
165.05489	12.2
177.05518	11.1
189.05533	2.4
191.05513	5.3
221.04454	3.5
239.05579	8.6
255.62450	2.2
371.09842	2.5
401.11029	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	491.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49971	1.5
57.03325	2.4
58.00436	2.1
58.02833	2.7
59.01251	51.7
61.98704	3.7
69.03323	2.4
71.01257	24.9
71.51106	1.9
71.51488	2.0
72.97423	1.8
72.99174	2.5
73.02818	8.6
75.00732	6.1
83.01222	2.0
85.02829	8.2
87.00750	14.5
89.02319	27.2
93.03326	6.5
94.32500	1.5
96.04294	1.4
101.02317	16.7
102.01885	3.8
103.00253	2.0
103.03889	7.0
107.04929	1.7
109.06476	25.6
113.02325	6.4
113.98968	1.7
119.03382	2.9
125.02345	2.1
129.01839	1.9
131.03372	6.8
135.08052	100.0
136.08354	3.7
149.04495	3.5
153.09122	48.1
154.09395	2.1
174.94618	1.5
179.07068	3.9
188.20425	1.7
191.05542	20.2
197.08142	62.7
198.08542	3.7
304.47220	1.9
313.34979	1.7
491.17694	85.7
492.18100	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	491.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03211	0.5
57.03334	0.5
57.62175	0.5
57.86644	0.4
58.00467	4.5
59.01249	71.0
60.01580	0.7
61.98676	0.5
67.01746	0.7
69.03327	0.6
71.01251	49.0
71.51432	0.5
71.51841	0.5
72.01582	0.4
72.99174	5.5
73.02821	0.9
75.00729	2.1
79.33763	0.4
83.01285	0.7
85.02826	6.1
87.00735	1.3
89.02315	78.9
90.02645	0.7
93.03328	1.3
96.00794	0.8
96.76923	0.4
98.02362	1.3
101.02322	5.3
108.02034	0.7
111.04419	0.7
113.02323	7.9
113.03489	0.6
119.03406	2.1
119.04901	1.3
127.55766	0.4
127.73963	0.4
129.05540	0.4
130.08598	2.1
131.03406	8.2
135.04387	1.6
137.02348	0.6
137.09628	0.9
145.02867	2.6
146.03528	0.5
147.04443	0.5
149.04457	10.6
151.03888	0.5
152.01004	1.1
155.10681	5.9
159.88762	0.5
163.03908	1.9
167.03355	0.6
173.04491	0.7
179.03404	0.5
180.07832	1.9
181.04967	1.4
181.08478	0.7
191.05562	5.3
196.05289	0.8
199.09724	2.8
209.05940	0.6
210.06520	0.5
211.03981	0.5
211.13165	0.5
222.06833	0.6
223.07558	0.8
223.09596	3.4
224.04749	3.4
225.09108	1.1
226.02660	0.5
227.03586	0.4
227.10754	0.8
235.07503	0.7
237.05428	1.0
237.09111	0.5
238.06314	3.4
238.10083	0.5
239.10768	2.1
241.08699	2.7
241.10799	0.8
242.09262	0.6
251.07153	1.1
252.04251	1.4
252.07965	0.8
253.04840	0.5
253.08565	1.1
254.09435	1.5
255.10217	9.2
265.08356	0.6
266.05756	3.5
267.06497	0.6
267.10165	1.5
269.11844	2.8
270.01642	1.4
270.05316	0.9
270.08752	0.4
270.12543	2.5
271.02356	0.8
280.07397	0.9
281.04636	0.9
281.08102	1.2
282.05295	0.6
282.08884	1.9
283.09729	39.5
284.10159	2.9
285.04034	3.3
294.08939	1.9
295.09753	5.1
296.10428	2.5
297.11124	2.5
298.04819	0.5
298.08316	1.2
298.12051	4.3
299.01917	1.0
309.11240	1.7
310.08368	2.2
310.12018	2.6
311.09229	81.3
312.09595	6.4
313.03485	5.2
313.10837	2.3
314.04034	1.6
325.10757	9.0
326.11557	48.3
327.05072	0.8
327.08551	0.8
327.11829	3.9
328.05823	2.4
329.06653	4.9
330.10812	0.5
341.10327	7.1
341.13904	100.0
342.10678	2.2
342.14343	9.6
343.11880	0.5
359.14764	0.5
437.07816	0.6
456.21390	2.5
461.07141	0.6
491.10898	7.0
491.21301	5.9
491.28522	1.8
492.15475	0.5
492.21805	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	1.2
63.02004	0.2
63.02283	0.3
64.99927	0.2
65.00217	0.2
69.25017	1.5
69.25429	0.3
71.01234	0.6
85.02797	0.3
89.02319	0.5
93.03332	0.4
98.20512	0.4
98.63354	0.2
101.02361	0.3
107.01288	0.3
111.04398	0.2
113.02345	0.3
117.03262	0.2
122.75237	0.2
140.63963	0.2
151.00331	0.3
151.07590	0.2
155.10748	0.3
161.02351	0.6
166.93279	0.2
173.04391	0.2
175.03911	0.2
183.04466	0.2
185.02353	0.2
191.05496	1.1
198.03101	0.4
199.03880	0.6
201.01843	0.5
202.02708	0.2
214.02586	0.3
215.03380	0.3
226.02698	1.6
227.03481	1.6
240.04112	0.3
242.02246	0.5
243.02928	1.8
253.01489	0.2
268.03748	1.9
269.04224	0.3
270.01682	1.6
271.02460	35.1
272.02853	2.5
284.03293	0.9
285.04004	4.0
286.04510	0.3
296.03156	0.4
297.04031	1.1
298.04535	0.2
299.01944	55.0
300.02277	4.7
311.99683	0.2
312.02734	1.2
313.03537	8.0
313.06958	0.3
314.04291	68.1
315.04623	5.5
327.05206	0.9
328.05646	0.3
329.06641	100.0
330.06976	9.1
341.13989	0.3
343.08398	0.3
371.07748	0.7
400.38272	0.2
417.50391	0.2
448.12717	0.2
461.07129	1.3
491.11966	0.6
491.29034	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	1.8
61.44386	0.2
63.02019	0.2
63.02300	0.2
64.41644	0.2
65.00228	0.2
68.72344	0.2
69.21462	1.2
69.21888	1.0
70.59721	0.2
71.01255	0.5
75.00735	0.5
78.08617	0.2
85.02827	0.3
87.00751	0.2
89.02299	0.4
93.03333	0.5
108.02071	0.2
113.02296	0.2
119.04907	0.2
135.04442	0.3
137.02348	0.3
149.02435	0.3
151.00310	0.3
160.01537	0.2
161.02359	0.8
173.04575	0.4
179.03433	0.2
185.02457	0.3
191.05553	2.1
198.03130	0.3
199.03885	0.4
201.01889	0.4
202.02640	0.3
215.03349	0.2
226.02652	1.5
227.03502	1.2
229.04758	0.2
242.02196	0.5
243.02994	1.9
268.01129	0.3
268.03680	1.7
270.01700	1.4
271.02481	32.8
272.02847	1.9
284.03284	1.1
285.04044	3.2
286.04398	0.3
296.03201	0.6
297.04041	0.7
299.01981	48.6
300.02362	3.0
312.02820	1.0
313.03537	6.6
313.06934	0.5
314.04321	59.2
315.04651	4.6
315.07990	0.4
327.05200	1.3
328.05621	0.4
329.06668	100.0
330.06979	7.5
330.10764	0.4
371.07709	0.8
447.22247	0.3
461.07333	1.1
491.11804	0.7
491.28705	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00472	1.6
59.01248	100.0
60.01583	2.0
61.98713	2.4
63.82212	1.3
68.01301	1.4
69.03316	9.6
70.53035	1.9
70.53356	3.3
71.01252	32.9
72.01579	1.6
72.90971	1.2
72.99187	3.0
75.00756	1.7
84.24525	1.3
85.02814	3.5
87.00711	2.2
89.02315	33.2
93.03329	2.2
94.02876	9.6
95.01252	1.8
97.02827	6.8
101.02328	17.1
110.27559	1.3
113.02339	13.3
115.00255	5.8
119.03385	15.2
121.02846	1.6
122.02367	78.3
123.02687	2.3
123.04382	1.7
131.03439	1.5
133.03842	1.4
134.04588	4.1
135.02927	1.9
143.03384	4.3
146.68050	1.4
149.04486	2.2
149.05922	1.5
155.19606	1.3
161.04434	4.0
166.88992	1.1
167.03354	1.4
179.05519	8.2
191.05531	3.8
193.05013	2.6
194.05322	2.5
196.06209	2.4
198.02234	40.2
214.07184	1.6
253.29628	1.4
258.68289	1.3
268.06387	11.1
373.11447	3.0
374.11841	11.2
389.05127	1.5
430.11737	5.7
431.22607	2.3
490.12668	2.2
491.14014	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	490.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03302	0.4
59.01241	2.1
61.98692	1.5
65.61919	0.4
69.03310	0.6
70.98467	0.6
70.98807	0.5
71.01269	0.4
78.95777	11.7
85.02814	0.5
92.34373	0.3
93.03329	0.8
95.04914	0.4
113.09581	0.5
130.84152	0.4
133.02904	0.5
140.01085	3.8
152.99530	1.8
167.10748	0.5
173.04407	0.7
179.14345	0.8
181.12204	0.4
191.05582	2.5
195.13847	8.7
196.03784	2.0
196.14278	0.8
205.12277	1.2
205.16040	0.5
211.13348	1.2
214.04807	5.6
223.13350	7.8
224.13783	0.7
228.13583	0.7
231.21059	0.5
232.05142	0.3
249.22485	0.3
256.13113	1.8
265.21631	0.8
275.20154	5.0
276.20364	0.5
293.21210	100.0
294.21542	9.5
300.02872	0.4
325.48795	0.3
434.01584	0.4
490.25735	25.5
491.26138	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	490.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28288	0.3
51.74646	0.3
51.96745	0.3
57.03324	3.6
59.01247	2.5
61.98697	0.4
63.59862	0.3
69.75151	1.5
71.01240	0.4
78.95776	19.0
81.03302	0.3
92.00657	0.3
93.03342	0.6
96.96838	1.3
97.06452	0.7
109.06444	1.2
113.09608	16.8
114.09900	0.4
135.04425	0.4
135.11653	0.8
139.11176	1.3
140.01080	3.3
149.09599	0.7
151.11412	0.4
152.99480	3.7
161.02383	0.6
167.10687	2.4
171.00543	2.2
177.12794	0.7
179.10686	2.4
191.05470	2.2
195.13843	2.5
195.17465	0.4
196.03757	1.5
214.04803	4.6
249.22125	2.1
275.20151	0.7
293.21210	100.0
294.21521	8.9
302.74115	0.3
457.62311	0.4
490.25720	21.0
491.26202	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	491.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	0.9
69.42668	2.7
70.23056	0.4
71.01223	0.4
92.62296	0.3
94.11136	0.4
95.09917	0.4
103.90912	0.3
121.02802	0.4
135.04408	1.1
151.00250	0.8
160.01578	1.6
161.02367	3.3
175.03960	0.6
179.03354	0.4
183.04428	1.1
185.02376	1.1
187.00255	0.6
197.02399	0.4
198.03192	3.3
199.03926	1.1
200.01051	0.9
201.01881	1.1
202.02684	2.4
203.03459	1.0
214.02637	1.3
215.03357	0.6
225.01791	1.0
226.02670	14.1
227.03442	9.0
228.03833	0.5
242.02155	4.5
243.02959	15.4
244.03262	1.1
253.01376	3.1
255.02942	0.7
269.04541	0.4
270.01682	14.0
271.02460	21.1
272.02826	1.3
274.01132	0.7
282.05371	0.5
284.03207	2.0
285.04037	22.9
286.04385	1.8
297.03778	0.5
299.01965	17.9
299.05383	0.9
300.02454	2.0
309.03949	0.6
312.02762	1.7
313.03534	34.1
314.04172	7.1
315.05035	1.4
315.12396	1.1
327.05142	1.5
328.02264	1.2
328.05771	5.9
329.06644	4.5
330.07156	0.6
343.04523	3.6
357.05936	0.5
389.08698	0.7
461.07257	20.5
462.07724	2.2
476.09592	15.2
477.09830	1.3
491.11948	100.0
492.12305	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	488.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	4.5
60.63737	1.2
61.98687	1.2
63.02239	1.3
65.00200	3.6
69.23310	8.6
69.23717	3.2
71.01266	2.0
82.91848	1.3
83.01276	2.4
85.02835	2.0
93.03351	5.3
98.19769	2.0
101.02331	2.7
107.01288	4.6
109.02833	2.7
117.03382	2.3
125.02320	5.2
133.02879	3.2
135.04454	2.1
137.02339	39.1
146.02402	2.3
149.02396	1.8
151.00269	10.5
153.01826	1.6
156.04414	2.9
161.02374	4.4
162.01909	1.3
163.02699	3.7
164.02066	2.3
164.03447	46.1
165.01820	1.6
165.03938	3.1
173.04607	1.3
174.05551	1.7
178.99837	2.0
179.03423	3.2
188.03368	2.1
189.05573	1.8
191.05536	13.1
199.03957	2.8
205.01430	1.7
206.04587	2.6
213.05551	1.5
227.03488	5.7
229.05109	3.2
231.01749	3.7
232.02452	4.0
239.03403	1.3
240.04257	3.2
241.05006	2.5
255.02930	8.8
256.03827	6.5
257.04514	10.4
267.02975	3.7
268.03757	9.7
269.04434	4.4
271.06238	1.8
280.06476	1.5
281.04651	8.2
282.07776	1.6
283.05145	3.3
284.03235	30.9
284.05655	2.3
285.04053	85.1
286.04373	4.8
297.04080	1.4
298.07205	5.5
299.05524	6.0
307.05045	3.5
308.05679	16.8
326.06540	16.2
326.09125	11.7
368.09653	2.2
394.07788	5.4
403.10052	1.3
431.29129	1.6
447.09378	19.5
448.09650	3.6
460.12830	2.5
461.12137	1.6
470.10831	5.7
488.11996	100.0
489.12131	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	488.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36737	0.7
53.29211	0.7
59.01242	4.2
63.02146	0.7
70.25790	1.4
70.26184	1.5
71.01244	2.5
74.02332	1.5
76.69633	0.9
78.95761	1.0
85.02798	1.7
89.02317	1.4
89.36707	0.8
96.95867	1.2
97.89105	0.7
101.02315	2.9
102.05485	42.2
102.34585	0.7
110.09458	0.7
128.03423	29.8
128.26035	0.7
129.01834	1.3
129.03795	1.1
145.01331	1.4
145.06075	3.4
146.04488	100.0
147.02881	1.8
147.04825	2.3
191.05553	11.9
191.07190	1.2
239.68832	0.8
339.98810	0.7
341.10928	2.2
489.10745	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	489.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	2.9
59.01248	18.5
71.01254	100.0
71.49798	1.4
71.50159	1.5
72.01582	1.4
72.99181	29.1
82.21626	0.9
83.01237	0.9
85.02821	2.5
85.74841	0.9
87.00746	33.9
89.02314	9.2
101.02320	4.8
102.05490	4.2
113.02331	5.1
115.00257	23.2
119.03424	4.6
128.03459	2.7
129.01828	23.6
133.01324	1.3
146.04515	9.2
147.02893	84.2
147.04816	3.1
147.06551	4.0
148.03207	2.4
161.04449	2.0
179.05524	6.1
189.70421	1.0
191.05522	10.6
246.23698	1.0
341.10837	24.2
364.58511	1.1
485.09988	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	0.6
55.83521	0.3
57.03299	0.4
59.01251	100.0
60.01587	1.0
60.95008	0.3
61.98714	0.5
67.01769	0.3
69.03327	0.7
71.01250	7.4
72.99183	0.7
73.02827	2.8
75.00754	0.3
78.95826	0.3
81.03331	0.4
83.01270	1.0
83.04889	0.6
85.02823	6.0
87.00753	6.4
88.01053	0.3
89.02312	1.8
93.03333	1.5
95.01272	0.9
95.04869	0.3
97.02840	0.8
97.06526	0.3
99.00764	2.7
101.02330	3.9
104.61499	0.3
107.04966	0.5
108.02068	0.9
109.02844	0.6
111.00764	0.6
111.04428	0.6
113.02328	5.7
119.03417	0.4
123.04416	2.3
124.01715	0.2
125.02357	0.8
125.05982	1.8
127.04003	0.3
129.01855	0.7
131.03400	0.7
133.02896	0.4
135.04460	0.4
137.02322	0.3
139.03952	0.5
141.05458	1.5
143.03433	1.4
151.03931	0.5
153.05530	0.6
158.36781	0.3
159.02939	0.7
161.02394	0.4
161.04491	2.3
169.05023	1.2
173.04485	0.7
176.57933	0.3
178.02654	0.4
179.03499	0.5
191.05548	10.2
192.05954	0.8
193.22284	0.3
197.04684	0.2
209.11911	0.4
227.03558	0.5
228.04407	0.4
233.06670	0.4
255.10420	0.6
281.11694	0.3
306.07730	0.4
309.20212	0.5
315.18182	1.4
355.17825	0.5
366.29291	0.3
411.20410	0.4
429.21265	6.8
429.26575	0.5
430.21701	0.8
447.22321	7.5
448.22867	0.9
480.68503	0.3
489.18707	0.6
489.27130	2.4
490.19705	0.6
490.27252	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	486.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00454	1.9
58.81295	1.7
59.01248	43.2
60.43190	1.9
67.01765	2.2
68.01278	5.0
68.99689	24.3
69.03326	3.6
71.01249	18.3
71.51017	1.7
73.34869	1.8
75.00756	8.4
78.95773	5.6
83.01244	2.0
85.02819	3.2
87.00754	4.9
89.02316	24.1
93.03352	5.6
94.02833	1.9
95.01276	8.4
96.96841	6.2
98.02353	100.0
99.00764	3.9
99.01863	10.0
101.02321	51.1
104.84849	1.8
109.02839	13.5
113.02329	3.7
119.03389	6.1
121.02830	6.4
123.04381	14.9
127.03891	3.6
135.04398	2.1
155.03397	30.9
155.04546	3.0
161.04483	2.0
162.05498	41.9
173.04533	2.0
179.05565	2.8
191.05522	7.7
211.06068	2.8
225.07599	4.2
246.07666	3.8
264.08740	42.3
265.09045	4.1
378.66757	1.6
426.14218	2.4
438.69772	1.9
449.87961	1.8
468.15891	3.5
487.14636	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	486.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17741	0.6
53.44963	0.6
59.01233	0.8
63.42881	0.6
78.95760	0.8
81.84227	0.7
88.03912	57.1
89.04195	0.7
92.82719	0.8
96.95906	0.6
101.01434	0.7
110.49450	0.6
146.27536	0.7
147.08032	1.9
148.67159	0.8
149.09608	1.4
152.99371	0.8
161.09633	0.7
163.11188	3.0
181.80708	0.7
187.11211	2.1
194.04895	0.6
279.13931	1.0
280.14670	0.8
309.22412	2.0
337.21707	100.0
338.22101	11.6
486.26859	14.2
487.27386	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	487.343
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
50.78264	0.1
54.55139	0.1
59.01231	0.3
61.98710	0.2
94.73363	0.2
111.00747	0.2
135.04413	0.2
169.18436	0.1
363.26685	0.2
379.30063	0.3
391.30087	0.2
409.31107	0.8
421.31018	0.3
427.32083	0.2
437.30545	0.2
469.33282	1.2
487.34259	100.0
488.34613	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	485.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	7.9
61.98709	0.6
63.76360	0.4
68.99679	0.5
71.01257	6.0
73.02820	0.9
78.95853	0.6
83.01247	0.9
83.04865	0.8
85.02823	1.8
87.00774	0.7
89.02319	4.8
93.03329	0.7
95.01261	0.6
99.00746	0.7
101.02325	5.3
113.02335	2.2
119.03384	1.0
134.03648	0.7
135.79161	0.6
143.03391	0.6
161.04506	1.1
174.24405	0.5
179.05510	0.9
179.98578	0.5
191.05560	3.4
192.05879	0.8
205.19380	0.9
229.48976	0.6
231.17317	0.8
233.28290	0.6
235.08051	0.8
249.18575	100.0
250.18944	7.2
250.48643	0.5
253.09264	15.8
254.09639	1.0
485.32425	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31053	0.3
59.01252	1.8
61.98699	0.8
67.01748	1.0
69.03314	0.5
69.53418	2.2
70.25528	0.3
71.01249	1.3
78.95776	0.5
81.03339	0.7
83.04877	0.8
85.02824	10.1
87.00747	2.1
93.03333	5.5
99.04386	0.6
109.02822	1.2
111.00070	0.5
111.00758	5.3
111.04398	1.3
127.03901	2.8
133.02892	0.7
135.04417	0.4
137.02368	0.5
143.07027	0.4
152.99481	0.5
153.01808	0.4
154.99779	0.9
155.03346	0.4
160.01549	0.3
161.02264	0.7
165.12772	0.3
171.02888	0.7
173.00800	2.0
173.04448	2.4
173.57547	0.3
179.03311	0.4
181.12216	0.4
186.24541	0.3
191.05536	100.0
192.05933	3.5
211.13300	0.4
240.13660	0.4
247.20633	0.5
255.23215	0.4
273.18573	0.6
285.04025	0.4
291.19656	4.2
292.20273	0.4
309.20697	23.9
310.21103	1.9
327.16150	0.4
345.17258	0.4
371.14923	0.4
447.09167	0.5
483.25974	4.2
484.25980	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
66.57768	0.5
69.48132	3.2
69.48548	0.9
78.95770	17.4
78.96224	1.1
92.55315	0.4
96.96833	1.5
97.24946	0.4
98.19897	0.7
110.40094	0.4
111.20153	0.4
123.44608	0.5
137.63628	0.4
150.97876	0.5
152.28610	0.5
152.99486	28.0
153.99884	0.8
171.00540	1.4
190.57968	0.4
209.38867	0.5
227.03175	4.9
245.04245	1.2
246.02785	0.4
255.23257	100.0
256.23621	8.1
349.60767	0.6
391.22296	0.8
417.10287	0.5
440.73657	0.5
483.27252	56.8
484.27472	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	485.1783
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	3.8
58.00475	1.3
59.01251	34.2
60.47845	1.2
61.98684	2.5
67.01744	1.4
69.03334	1.5
69.35050	5.4
69.35481	4.5
71.01253	25.3
72.99176	3.2
73.02827	2.9
78.42291	1.0
78.95770	26.9
82.39390	1.0
83.01247	6.0
85.02808	8.1
87.00735	3.5
88.63654	1.3
89.02322	21.7
93.03316	6.7
95.01242	2.6
96.96834	7.1
97.02840	2.4
98.19804	2.1
99.00712	1.3
101.02324	28.8
108.02190	1.1
111.04385	1.9
113.02322	5.7
119.03400	9.2
123.04386	1.5
127.03905	1.6
135.04361	2.2
143.03406	1.4
145.07616	4.0
149.38693	1.1
153.52325	1.1
160.06313	13.7
161.04422	2.1
161.07112	65.8
162.07486	1.9
173.04449	3.7
175.08687	28.1
176.04811	2.1
176.09062	1.2
179.05519	2.5
187.08717	4.6
189.06622	83.5
190.06898	4.5
191.05547	37.6
192.05894	1.8
201.10301	5.9
203.08215	24.2
203.11845	6.6
205.08656	2.5
229.09763	10.7
231.10468	1.3
241.01140	2.0
241.09843	2.0
252.88692	1.1
257.08179	2.2
277.11819	2.1
293.09824	1.5
305.11438	33.8
306.11792	2.3
311.05164	1.7
323.12457	5.1
388.31769	1.2
449.14047	1.6
467.09491	9.1
467.15842	5.4
468.09842	1.9
485.17752	100.0
485.24060	3.7
486.18115	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	483.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78322	0.2
57.03330	2.0
59.01226	0.4
67.01757	2.9
69.36369	2.0
72.99176	0.8
73.46853	0.2
76.77770	0.2
83.01270	0.8
85.02820	1.6
87.00751	5.4
90.43625	0.2
99.17233	0.3
100.67487	0.2
101.02399	0.3
107.80829	0.2
111.00762	100.0
112.01100	2.4
129.01834	0.5
154.99770	2.7
173.00827	13.9
174.01210	0.5
181.12352	0.3
191.05486	0.4
264.53967	0.3
285.03967	0.3
291.19489	0.4
293.21161	0.3
309.20679	0.8
355.39648	0.2
402.65668	0.2
407.24298	0.4
451.23291	0.4
483.22314	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2445
Annotation	25-Hydroxyhalisulfate 9
Peak:m/z	Relative Intensity
55.01749	3.1
57.03314	3.3
58.00465	0.9
59.00956	1.5
59.01251	27.0
61.98699	2.3
69.03314	1.7
69.40042	0.8
71.01252	45.8
72.01579	1.3
72.99173	2.8
73.02818	19.9
75.00738	2.3
78.95776	7.2
81.32993	0.9
83.01260	7.1
85.02823	19.8
85.06488	1.0
87.00726	5.5
89.01819	1.7
89.02324	16.0
93.03353	1.6
95.01259	3.4
95.04911	1.1
96.95872	1.1
96.96818	2.9
97.02823	3.0
98.19814	1.7
99.00762	8.5
101.02322	37.9
101.03004	1.9
109.02870	1.3
111.00790	4.6
113.02320	16.1
114.35324	1.0
115.03867	1.4
115.07527	1.0
119.03389	2.2
119.04914	3.0
120.99581	1.5
125.02349	2.7
129.01788	1.1
131.03407	3.1
137.02399	1.0
143.03419	1.2
143.07140	1.2
149.02344	1.1
149.04434	2.3
150.03120	1.0
156.05145	0.9
159.02904	3.0
161.04437	10.4
163.03906	2.2
165.05540	1.1
173.04478	1.7
175.06070	2.5
189.14755	4.3
191.05562	17.9
233.06587	2.7
293.08798	1.6
351.20212	48.0
352.20679	2.6
399.60358	1.0
483.24509	100.0
484.24780	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	483.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	1.8
59.01241	1.0
67.01753	3.3
68.85077	0.5
69.03338	0.5
69.85426	1.1
69.85824	0.9
72.99179	2.0
78.95777	1.8
83.01237	0.8
83.04898	0.4
85.02824	11.7
87.00750	8.7
93.03348	3.7
98.19920	0.8
101.02324	0.8
111.00769	100.0
111.04402	1.2
111.08064	0.9
112.01086	2.4
124.48051	0.5
127.03902	1.6
129.01823	1.6
130.08716	0.4
133.02876	0.6
135.04428	1.4
152.99496	1.7
153.12830	1.1
154.99782	6.4
155.07042	1.1
161.02336	0.8
173.00841	22.6
173.04478	1.6
174.01193	0.7
179.03418	0.6
179.14375	0.5
181.12273	1.0
191.05545	53.9
192.05902	2.1
197.11813	0.6
199.13376	0.6
207.01059	0.6
207.14032	0.8
228.13724	0.5
247.20686	1.4
263.20184	0.5
291.19644	8.2
309.20718	36.5
310.21121	3.6
365.25473	0.5
465.25241	0.5
483.22061	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.229
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32854	0.4
53.44621	0.4
55.01741	0.8
57.03320	0.7
58.00433	0.5
59.01254	12.1
67.01746	0.6
68.82172	0.4
68.99680	0.5
69.03322	0.8
69.21360	3.9
69.21701	0.5
69.64492	0.3
71.01247	10.6
72.99168	0.8
73.02817	2.8
83.01257	1.5
83.04875	0.5
85.02824	6.4
87.00743	3.5
89.02311	4.0
93.03335	4.7
97.02830	0.6
98.20579	0.7
99.00742	1.0
101.02325	6.2
109.02819	1.0
111.00764	1.0
111.04403	0.8
113.02341	2.1
119.03351	0.6
120.99541	6.1
121.02809	0.6
124.01504	0.6
125.02357	0.8
125.10353	0.4
127.03899	0.8
131.03383	1.9
133.02805	0.7
135.04388	1.3
137.02316	1.5
138.64500	0.4
141.12802	0.5
153.01797	0.8
161.02348	1.4
169.12265	0.6
173.04486	4.1
179.03401	1.3
185.11790	0.4
187.03923	0.7
187.07507	0.7
187.13313	24.8
188.13614	1.3
191.05537	36.4
192.05830	1.2
199.13329	0.4
201.14897	0.5
202.06305	0.9
231.10027	0.5
238.47389	0.4
245.11768	0.5
289.10785	0.8
331.17697	1.8
349.18631	18.9
350.18982	1.6
401.11502	0.8
419.79898	0.4
449.14575	0.7
463.21924	0.9
481.22852	100.0
482.17001	0.5
482.23178	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	481.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62833	0.3
57.03326	1.6
58.00453	0.3
59.01251	1.5
60.99175	5.9
65.03831	0.8
67.01759	15.0
68.02082	0.3
69.03326	4.3
71.01252	5.6
71.04890	0.3
73.02817	0.5
76.88995	0.3
78.41423	0.3
78.95776	1.7
81.03333	3.1
83.04898	2.2
85.02816	1.0
85.19392	0.2
87.00749	20.0
93.03332	100.0
94.03681	2.9
97.02866	0.7
97.06464	1.4
99.00743	2.0
99.04403	1.8
99.35282	0.2
100.46539	0.3
101.50312	0.3
109.02831	1.1
111.04400	13.6
112.04743	0.5
113.02326	1.9
115.03894	1.0
127.03938	0.3
129.01828	2.3
133.02850	0.9
134.03629	20.2
135.04442	3.8
137.02342	1.1
142.65092	0.3
143.03401	1.4
152.99498	1.7
153.05507	0.4
155.03413	3.7
161.02345	0.4
173.04465	59.1
174.04796	1.6
177.01816	0.7
178.02672	2.1
179.03407	0.8
191.05544	3.6
231.10249	0.9
275.09290	1.1
307.11813	2.8
361.54398	0.3
426.90506	0.3
449.14517	12.1
450.14929	1.7
481.17105	37.3
482.17484	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	481.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31668	0.4
59.01244	1.3
61.98704	0.5
69.21046	3.3
69.21468	0.7
71.01270	0.5
72.99175	0.7
78.95780	63.8
81.03317	0.4
83.01257	0.6
85.02863	0.8
87.00771	1.2
93.03343	0.6
93.24564	0.4
95.96070	1.2
96.96843	10.0
99.00740	0.5
101.02353	0.5
111.00770	15.6
112.98690	1.7
122.98418	0.5
135.04405	0.7
137.73563	0.4
142.99796	2.2
150.97935	2.8
152.99500	100.0
153.99854	1.5
154.99767	1.7
161.02391	0.4
171.00555	6.3
173.00854	6.5
173.04417	0.4
191.05547	3.3
197.11729	0.7
209.11827	0.5
211.13208	0.4
286.40973	0.4
307.19162	0.8
311.22446	0.4
313.22861	0.7
338.25366	0.4
393.12845	0.4
439.50150	0.4
463.20978	0.5
481.23248	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	1.3
59.01242	1.7
60.99173	5.3
67.01761	15.2
69.03321	4.2
71.01251	5.2
72.99178	0.5
81.03330	3.3
83.04888	2.3
85.02816	1.3
87.00747	18.2
87.01282	0.9
93.03334	100.0
94.03655	3.6
97.02801	0.5
97.06451	1.2
99.00771	1.5
99.04387	1.4
99.91496	0.4
109.02837	1.1
110.00472	0.4
111.04398	15.7
112.04793	0.5
112.50543	0.4
113.02331	1.8
115.03896	0.8
121.02845	0.6
129.01831	2.6
133.02827	2.2
134.03627	21.7
135.04451	5.2
137.02336	1.6
139.03876	1.1
143.03419	1.7
155.03406	3.9
161.02361	0.7
173.04469	72.5
174.04758	2.5
177.01894	2.5
178.02631	6.5
179.03421	1.6
191.05537	4.8
231.10211	1.1
275.09247	2.7
301.91040	0.4
307.11862	6.1
308.12158	0.5
350.55579	0.4
424.23538	0.4
449.14474	11.5
449.20673	0.7
450.15005	1.2
481.17142	48.2
482.17474	7.3
495.23624	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	1.6
59.01242	1.7
60.99177	5.9
65.03835	0.4
67.01759	15.1
68.02098	0.4
69.03317	4.6
69.27700	3.6
71.01250	4.1
81.03339	2.8
81.34218	0.4
81.41293	0.4
83.04881	1.9
85.02830	1.1
87.00748	21.9
93.03335	100.0
94.03681	2.6
99.00741	1.8
99.04379	1.9
100.73251	0.4
109.02843	1.3
111.04404	13.0
112.04774	0.6
113.02319	1.9
115.03893	1.2
118.29303	0.3
129.01808	2.2
133.02866	2.5
134.03629	9.6
135.04422	4.1
137.02342	1.7
139.03899	0.5
143.03407	0.9
155.03421	2.2
162.03171	0.7
173.04471	49.8
174.04810	2.1
177.01781	1.7
178.02614	7.7
179.03400	2.3
191.05591	2.2
275.09396	1.1
307.08066	0.4
308.08755	0.7
351.06982	1.0
352.08011	1.1
449.14517	30.0
450.14813	3.9
481.17117	19.6
482.17523	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	481.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32874	0.5
56.17704	0.5
57.03314	2.1
59.01234	1.9
60.98944	0.5
60.99183	5.7
65.03839	0.7
67.01762	13.0
69.03333	4.2
69.17280	0.5
69.33962	5.1
71.01257	5.0
73.02830	0.7
80.97227	0.5
81.03329	2.8
83.04883	1.9
85.02841	1.0
87.00750	19.6
88.28359	0.5
91.43755	0.5
93.03338	100.0
94.03668	3.0
97.02769	0.6
98.20538	0.7
99.00755	2.4
99.04385	1.7
99.31728	0.5
105.72183	0.6
109.02826	1.1
111.04404	14.1
113.02322	1.7
115.03901	0.8
129.01834	3.0
133.02834	2.4
134.03632	8.3
135.04410	2.1
137.02328	2.0
139.03937	0.6
143.03404	1.2
155.03403	2.8
161.02379	0.6
173.04478	54.8
174.04828	2.1
177.01834	1.2
178.02635	8.7
179.03334	1.8
191.05559	2.4
275.09375	1.1
351.07181	2.0
352.08075	1.0
386.49481	0.6
449.14520	45.4
450.14902	6.3
476.68097	0.5
481.17126	20.5
481.24081	1.0
482.17261	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	481.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23481	0.3
57.03319	2.1
59.01249	2.4
60.99175	5.4
65.03829	0.4
67.01760	14.9
68.99633	0.3
69.03323	4.8
71.01250	4.8
71.04870	0.3
71.28269	0.7
72.99252	0.3
73.02793	0.5
78.95778	0.6
81.03328	2.3
82.99697	0.3
83.04897	2.1
84.51113	0.3
85.02831	1.5
87.00750	19.7
88.01105	0.4
93.03334	100.0
94.03686	2.8
97.02831	0.5
97.06461	1.1
99.00739	2.0
99.04385	1.2
101.02317	0.7
109.02814	1.7
111.00768	0.4
111.04406	12.9
111.90420	0.3
113.02322	1.5
115.03893	0.8
127.03914	0.5
129.01836	2.3
133.02820	0.6
134.03632	20.1
135.04416	2.3
137.02332	3.4
143.03401	0.9
152.99483	1.3
155.03423	3.4
155.10670	0.5
173.04471	67.8
174.04803	2.5
177.01854	0.6
178.02612	2.5
178.05887	0.3
179.03296	0.6
191.05536	8.1
199.09586	0.7
204.96632	0.3
231.10243	0.9
257.08167	0.4
275.09320	0.7
289.10873	0.4
307.11847	2.3
421.20731	1.1
435.58698	0.3
449.14487	12.3
450.14835	1.2
481.17099	42.1
482.17505	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	481.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59661	0.2
51.27810	0.2
53.29037	0.2
54.73232	0.2
59.01245	1.1
67.01765	0.3
69.03333	0.3
69.29996	1.1
69.30424	0.5
71.01263	0.4
73.02833	0.4
78.95790	0.9
81.03315	0.2
82.18779	0.2
85.02815	0.8
87.00748	0.7
89.02299	0.2
89.89076	0.2
93.03338	2.5
97.06441	0.2
98.19765	0.4
101.02312	0.4
108.02055	0.9
109.02839	1.3
111.04408	0.4
119.01261	0.2
121.02835	0.2
127.03893	0.3
127.45428	0.2
133.02858	0.9
134.03687	0.5
135.04385	1.3
136.01559	1.6
137.02339	100.0
138.02678	3.4
148.01509	0.2
149.02367	0.2
151.00281	0.2
151.03888	0.2
152.99469	0.8
155.10698	1.5
161.02333	1.6
165.01855	0.2
173.04477	1.6
177.01830	0.2
178.02550	0.2
179.03319	1.0
191.05539	7.4
192.05809	0.6
199.09712	1.5
241.10757	0.5
255.03029	0.4
256.03717	0.5
275.09277	0.2
283.02466	0.6
283.11896	0.7
284.03165	1.1
285.04007	0.8
306.07339	0.2
339.05026	0.3
343.14172	0.8
353.08609	0.4
409.12833	0.2
449.14163	0.3
481.17105	7.1
482.17245	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18015	0.4
57.03312	1.2
59.01249	4.0
60.99175	5.5
61.98679	0.8
64.79313	0.4
65.03828	0.4
67.01758	14.8
69.03326	5.2
71.01257	5.0
71.50764	0.6
73.02816	0.6
75.00734	1.0
81.03327	3.0
83.01241	0.4
83.04902	2.9
85.02815	3.7
87.00748	18.4
93.03333	100.0
94.03667	3.0
95.01250	0.5
97.02845	0.4
99.00761	2.0
99.04384	1.4
101.02316	0.9
109.02840	1.5
111.00766	0.5
111.04403	14.8
112.04711	0.4
113.02313	1.6
115.03902	0.8
117.19713	0.4
127.03879	1.3
129.01816	2.8
134.03625	0.7
135.04401	1.0
137.02368	1.1
143.03371	1.0
155.03412	2.8
161.02379	0.7
173.04471	51.0
174.04817	1.2
174.06776	5.1
175.07518	1.7
187.07558	2.0
191.05536	27.8
192.05968	1.0
199.03951	0.4
200.04764	0.5
201.05539	0.8
202.06219	2.8
203.10689	3.3
213.05539	0.8
213.09193	1.3
215.07144	0.6
228.04340	0.5
231.10081	2.5
246.05130	0.5
255.02859	0.5
257.08212	5.0
275.09265	3.7
307.11887	1.7
413.97821	0.4
449.14474	28.1
450.14810	3.1
481.17023	26.1
482.17331	4.1
484.87070	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23982	0.3
59.01251	4.9
61.98701	100.0
67.01748	0.5
68.99194	0.3
71.01255	2.3
72.99194	0.3
73.02824	0.5
78.95773	0.4
83.01273	0.3
85.02821	2.4
86.03214	0.3
86.79308	0.3
87.00761	0.9
89.02327	1.1
93.03336	3.2
96.95924	0.4
98.20596	0.5
99.00790	0.4
101.02336	1.3
108.02035	1.6
108.62076	0.3
109.02861	2.3
111.00724	0.3
111.04395	0.7
111.05138	0.3
113.02357	0.9
119.04904	0.5
120.05321	0.4
121.02859	0.9
123.04445	0.4
125.02369	0.5
132.06598	0.3
133.02829	0.6
134.03606	0.5
135.04434	0.9
137.02341	1.8
150.09181	0.5
152.01085	1.1
152.99484	0.4
153.01805	1.6
155.10718	0.4
161.02350	0.9
161.04492	0.5
161.65477	0.3
163.03902	0.4
165.01866	0.3
167.03464	0.8
173.04443	2.3
177.01889	0.7
178.02669	0.5
179.03467	0.7
191.05544	10.9
229.59599	0.4
275.09430	0.7
420.26178	0.7
449.14624	0.5
463.25583	0.7
481.17734	1.9
481.26328	0.8
494.24335	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1364
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	6.4
67.01759	3.0
68.99692	1.2
69.03338	1.6
69.34076	0.8
71.01259	4.8
71.51211	1.1
72.99178	6.9
73.02821	1.0
75.00755	2.8
75.63768	0.9
81.03336	1.7
83.01250	1.1
85.02824	13.4
87.00745	7.6
89.02340	1.1
93.03336	14.8
99.00792	1.2
101.02332	2.3
109.02835	2.2
111.04411	3.2
125.02392	1.1
127.03906	2.7
129.01851	1.1
133.02870	1.2
135.04405	2.1
137.02332	1.9
137.78682	0.7
151.00285	2.0
151.03888	0.8
153.01917	1.4
155.03395	1.0
159.04436	2.7
161.02333	2.9
163.03835	1.1
165.01886	1.3
169.12059	0.8
172.05215	1.8
173.04482	14.0
173.06001	4.2
174.03149	1.4
174.06680	1.0
174.51303	0.9
175.03975	1.7
175.07619	1.5
177.01884	1.2
179.03464	1.0
187.03990	2.9
187.07542	4.0
188.04704	1.5
189.05479	1.7
189.09128	1.0
190.02702	2.2
190.06306	1.0
190.99786	3.6
191.05542	100.0
192.00566	1.6
192.05843	5.1
199.07588	1.2
201.05449	2.6
201.09122	2.3
202.06277	5.8
203.07018	1.9
215.07080	3.4
216.04321	1.0
217.08687	6.2
219.06541	2.4
227.03519	1.0
227.07097	1.6
231.06595	1.1
231.10222	1.3
233.08150	2.1
240.44646	0.9
243.06726	1.0
245.08142	7.8
247.04602	3.8
261.07639	1.2
263.09238	2.3
271.06180	5.9
275.09091	0.9
283.02460	1.0
289.07199	9.6
307.08521	4.1
307.11563	1.3
405.63748	0.8
449.14276	1.0
463.12369	1.2
480.67517	1.2
481.13300	11.5
481.21890	5.3
482.13721	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	480.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83637	0.9
55.01749	1.9
57.03316	1.5
58.00460	2.8
59.01250	83.1
61.98700	5.5
67.01760	1.7
69.03326	13.8
69.29507	4.8
69.29932	3.4
69.84540	0.8
71.01251	48.4
72.99184	3.4
73.02827	1.1
75.00757	1.1
77.57526	1.1
83.01253	2.5
83.17311	1.0
85.02824	10.9
85.03316	1.4
87.00744	2.4
89.02316	44.3
93.03333	4.2
95.01276	2.5
95.04912	1.2
99.26540	0.9
101.02322	22.7
106.25816	1.1
107.04942	1.2
108.02036	1.7
109.02838	36.6
111.92712	0.8
113.02331	17.5
119.03390	23.0
119.04874	2.4
121.02794	1.0
121.05228	2.7
123.04413	16.5
124.07551	2.0
124.62018	0.9
131.03386	1.6
133.02852	1.0
134.03546	0.9
134.05937	1.3
135.06773	4.4
136.07582	2.4
137.02330	1.5
143.03462	2.1
149.04468	1.8
149.08368	1.9
150.09151	100.0
151.09509	4.7
153.01839	51.8
160.07591	2.2
161.04430	1.9
161.09633	1.2
173.04446	1.3
176.10733	7.3
177.01900	1.5
179.05516	3.6
183.87546	0.9
185.13274	1.3
186.09128	9.4
187.09500	1.0
188.07176	1.1
191.05518	9.7
199.10097	1.2
202.12283	1.9
204.10237	31.3
205.10481	1.5
212.10768	2.3
226.08656	2.4
227.09436	3.4
228.13945	4.2
230.08228	7.1
230.11790	10.3
231.08739	1.3
241.10928	2.9
256.13412	78.1
257.13776	5.2
274.14450	2.5
300.12411	35.4
301.12671	3.6
391.92108	1.0
480.18857	8.0
481.17773	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	479.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	2.0
57.03313	1.9
58.00460	1.1
59.01249	23.0
63.24714	0.6
66.47268	0.5
69.03317	1.7
71.01250	23.1
71.50397	0.6
72.99170	2.1
73.02820	8.3
73.40211	0.6
75.00719	0.8
81.03317	0.6
83.01257	4.8
85.02818	12.0
85.99987	0.5
86.03245	0.5
87.00739	2.8
89.02319	8.5
91.32536	0.6
93.03329	2.4
95.01260	1.2
97.02824	1.8
99.00755	2.9
101.02319	18.8
108.50039	0.6
109.02830	0.9
111.00764	1.8
113.02326	5.9
115.03932	0.8
121.02817	0.5
125.02325	1.9
129.01852	0.6
131.03392	6.0
131.04909	0.7
134.74730	0.5
143.03384	1.2
147.04390	0.7
149.04451	0.6
151.00259	1.4
153.01797	1.0
155.10689	1.6
161.02359	0.7
161.04471	2.0
164.15158	0.5
172.05168	0.5
173.04550	2.6
173.05804	0.8
175.07555	0.6
185.11687	1.7
187.07623	0.8
191.05544	20.2
192.05931	0.7
197.09947	0.5
227.03258	0.6
233.06595	0.6
235.98940	0.5
238.79893	0.5
243.02975	0.7
243.06381	0.7
248.14999	0.5
281.10257	0.6
283.13547	0.7
287.05606	2.4
303.17981	0.9
317.03052	1.2
347.17072	2.2
435.26291	0.7
461.20642	0.6
479.21301	100.0
480.22226	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	479.2416
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63634	0.9
52.77175	0.9
54.81482	1.0
57.03325	5.7
59.01249	4.9
61.98695	1.5
69.03335	1.4
69.56931	5.7
78.95780	17.0
85.16709	0.9
96.95887	3.0
97.06467	1.3
98.20631	1.6
110.98417	14.3
113.09608	15.0
129.85014	1.1
136.99979	1.5
139.11200	1.5
149.09686	1.0
152.99498	2.7
167.01024	5.0
167.10689	3.7
171.10239	1.3
177.12823	1.5
179.10632	2.4
179.14319	2.0
185.02126	11.2
195.13791	12.6
197.11832	2.1
205.12265	2.9
223.11351	1.8
223.13365	17.9
224.13705	0.9
249.22241	1.9
275.20111	1.2
293.21228	100.0
294.21542	10.2
363.15833	1.3
391.15372	5.2
406.27280	1.3
445.86020	0.9
461.23395	1.1
479.24310	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	479.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01738	1.9
58.00492	1.8
59.01250	100.0
61.98693	3.7
68.99685	4.6
69.03316	2.9
69.56647	7.9
69.57052	4.7
71.01251	37.1
72.99184	14.1
73.02810	2.9
73.26393	1.8
75.00757	5.7
83.01237	1.8
85.02816	7.9
87.00791	1.9
89.02319	45.3
91.00240	5.9
93.03352	2.1
95.01266	6.9
101.02327	28.6
113.02332	13.6
118.67334	1.9
119.03391	16.2
120.99528	2.0
121.02858	2.0
123.04375	11.1
125.02351	2.3
126.98468	4.2
127.03890	2.0
131.03351	3.4
135.04367	4.7
143.03439	2.2
149.04411	4.4
155.03365	16.2
161.02501	2.5
161.04451	6.4
163.03963	2.3
165.05399	2.4
179.03416	3.2
179.05505	19.0
191.05502	2.1
195.06566	2.5
197.04504	3.9
215.00116	5.1
225.07611	8.1
347.17114	3.0
387.12823	2.4
479.12170	19.0
479.21158	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	479.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	1.4
58.00451	1.8
59.01250	100.0
61.98700	3.4
68.99683	4.8
69.03321	1.9
69.40787	10.2
71.01254	25.7
72.99183	6.2
83.01273	1.6
85.02835	3.4
87.00774	2.2
89.02324	38.4
93.03354	2.8
95.01263	5.8
98.20513	2.8
99.00761	1.8
101.02329	27.1
113.02344	10.9
119.03397	13.8
121.02854	3.5
123.04436	10.0
131.03410	2.8
143.03377	2.8
149.04439	3.3
151.55074	1.4
153.05536	2.9
155.03401	15.8
161.02353	1.5
161.04472	5.0
168.64600	1.5
179.05551	13.5
191.05507	3.4
201.17293	1.4
207.06683	1.5
225.07640	5.5
388.17215	1.3
453.79111	1.5
479.11020	3.2
479.25418	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	479.156
Annotation	Turbinatocoumarin
Peak:m/z	Relative Intensity
54.16986	0.9
55.11634	0.9
58.51191	1.0
59.01243	7.2
61.98693	2.1
66.17085	0.9
67.01755	1.9
69.03329	1.4
71.01249	8.7
71.51324	1.7
72.99163	1.8
73.02824	2.6
75.00729	2.0
79.34766	0.9
81.03327	1.5
83.01250	2.4
85.02818	3.1
87.00716	1.6
89.02312	12.2
93.03342	1.4
95.01283	3.7
99.00744	2.2
101.02310	5.0
107.01279	1.5
108.01304	1.3
108.02044	22.3
109.02856	1.9
111.00765	5.0
113.02293	3.9
120.99568	1.2
121.02853	3.2
122.99921	2.1
123.00770	32.7
123.04416	20.7
124.01572	17.7
125.02335	1.2
135.02788	1.1
139.00278	1.3
145.50636	1.1
147.00766	6.1
148.01547	2.5
149.02353	1.6
149.04428	2.1
150.03149	1.0
151.00217	1.6
153.05446	2.8
161.04478	2.3
162.03128	4.7
163.03905	8.1
167.03307	2.4
177.01794	1.6
191.05508	4.2
203.03284	1.4
229.04965	6.8
231.03000	1.9
245.04436	1.7
250.88597	1.0
255.02917	1.1
256.03772	2.5
257.04523	3.7
271.06085	4.6
272.06879	25.0
273.04004	10.4
273.07217	2.5
282.47171	1.1
286.08420	1.9
287.09244	86.9
288.09512	7.7
317.02759	3.3
317.10275	100.0
318.10620	10.2
347.16992	3.2
446.01682	1.2
449.14368	4.3
449.57071	1.1
479.10345	3.9
479.15594	4.6
479.21268	9.8
484.20837	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.0828
Annotation	Gossypetin 7-glucoside
Peak:m/z	Relative Intensity
55.24990	2.5
55.73936	1.9
57.33065	2.1
59.01244	28.9
61.98704	12.2
63.96149	2.2
65.00197	12.5
65.05682	2.5
67.01775	2.6
68.99689	2.8
69.03316	9.9
70.07232	9.2
70.07596	4.2
71.01254	21.3
72.99164	3.9
73.02815	7.8
74.98930	3.0
75.00746	7.5
81.03324	2.6
83.01244	7.3
85.02821	12.5
85.05272	2.3
87.00739	5.2
89.02303	12.8
91.01791	2.8
91.09771	2.0
91.48547	2.1
92.99715	2.2
93.03339	14.6
95.01275	6.3
98.19839	2.7
99.00759	4.7
100.81895	2.2
101.02335	20.3
107.01253	15.1
108.02061	4.9
109.02829	90.4
110.03136	2.3
111.00773	13.2
113.02323	6.3
113.69058	2.3
117.03328	4.9
121.02859	3.7
123.00794	4.6
125.02341	11.3
131.01309	3.4
133.02805	3.7
135.00778	3.7
135.04378	5.6
135.06558	2.3
136.66148	2.3
136.98828	2.4
137.02342	20.3
137.09618	9.4
139.00322	14.6
141.01801	4.7
147.00772	2.7
149.02338	2.9
151.00272	71.5
151.03831	2.8
153.01831	99.1
155.03391	8.9
155.09523	3.9
155.10684	41.8
156.10980	2.9
161.02354	6.7
163.00269	40.2
164.00999	3.4
165.01797	5.5
166.99754	14.9
168.00531	2.2
169.01300	5.0
171.10141	3.0
173.04436	3.3
175.00264	12.7
176.00703	2.8
177.01834	14.5
178.99785	28.5
179.03445	3.7
181.01347	14.6
187.04010	4.3
190.99774	16.3
191.05531	54.1
192.00539	3.5
193.01280	6.7
194.99280	14.4
199.03888	4.3
199.09711	11.6
203.03395	4.6
205.01402	3.7
206.99294	28.2
208.00018	6.7
215.03395	2.3
219.03017	2.4
227.03516	7.2
229.05031	4.6
231.02867	6.6
243.02931	5.9
245.04555	4.9
255.02933	9.5
259.02371	3.3
268.03778	2.7
269.04431	5.4
271.02469	11.8
271.11935	3.0
272.02881	4.1
273.04050	12.0
285.04025	5.0
287.05673	4.7
287.09048	3.6
289.03531	4.8
299.01938	17.5
299.05270	5.2
301.02438	4.7
305.04733	2.6
305.10220	2.5
313.05630	3.2
316.02240	11.1
317.03000	100.0
317.06482	6.4
318.03323	8.9
341.04877	3.3
343.06604	3.2
357.04813	2.9
369.04425	11.3
370.05252	5.5
451.08838	5.2
454.78616	2.5
461.07538	3.9
479.08499	35.8
479.21042	66.3
479.31909	4.7
480.08649	3.6
480.21448	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	477.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	1.6
55.48369	0.7
57.03326	1.2
58.00459	1.0
59.01255	100.0
60.01596	0.9
61.98704	3.3
71.01256	30.0
71.51240	1.8
72.99176	1.7
73.02830	5.6
78.95819	1.8
83.01259	2.7
85.02825	11.2
87.00771	2.7
89.02322	17.1
89.02845	1.5
93.03344	2.8
95.01266	1.9
97.02832	1.0
99.00778	2.3
101.02328	24.6
102.02695	1.0
113.02328	12.4
117.01078	0.9
119.03405	6.9
119.04942	1.0
125.02319	1.6
126.05224	0.8
135.04410	2.8
143.03400	3.0
152.99478	1.8
159.02917	1.9
161.04466	18.9
173.04497	1.8
179.05531	6.9
182.45982	0.7
191.05550	6.9
205.03596	1.0
240.13437	0.8
255.19560	1.3
271.02502	1.2
299.11075	0.9
300.02768	1.2
417.24927	36.6
418.25183	4.0
477.10333	0.9
477.23825	1.2
478.13266	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	478.2947
Annotation	PE(18:1(9Z)/0:0)
Peak:m/z	Relative Intensity
61.49109	0.2
61.98791	0.2
66.28082	0.2
70.98914	0.2
71.16350	0.2
78.95781	25.1
96.96861	1.4
98.20607	0.6
117.60528	0.2
118.95455	0.3
122.00018	0.5
140.01089	2.3
152.99495	4.0
157.12804	0.3
160.47264	0.3
171.00562	4.4
191.05588	0.8
196.03749	1.3
200.91916	0.3
214.04826	2.9
226.53569	0.3
229.47418	0.3
281.24860	100.0
282.25208	9.0
288.59778	0.3
303.61520	0.4
319.36633	0.3
404.25848	0.4
478.29395	18.4
479.29752	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	479.0831
Annotation	Gossypetin 7-glucoside
Peak:m/z	Relative Intensity
59.01249	3.3
63.02268	3.1
65.00193	11.3
69.37359	4.2
69.37775	11.4
71.01242	8.4
83.01261	7.6
85.02814	6.6
87.00742	2.7
88.03919	3.1
88.52189	1.6
88.97358	1.6
89.02328	2.7
91.01817	2.6
93.03329	7.3
95.01260	6.1
101.02325	2.6
107.01276	23.2
108.02041	3.5
109.02836	91.4
110.03180	3.0
111.00782	8.3
114.65732	1.5
115.00245	5.4
121.02840	3.8
123.00800	4.1
124.01547	2.4
125.02323	14.6
129.10158	2.0
131.01257	5.5
132.02888	2.5
133.02835	6.7
135.00743	6.5
137.02321	14.5
139.00255	17.1
149.02321	5.5
151.00272	78.2
152.00909	3.3
153.01842	98.2
154.02176	3.9
155.10782	2.4
159.04414	2.4
161.02325	2.5
163.00272	37.9
163.03967	3.1
164.00957	6.4
165.01808	9.1
169.01329	3.9
175.00278	14.5
175.03915	3.2
177.01834	13.5
178.99792	23.5
181.01355	28.2
186.12360	6.6
187.03954	4.5
190.99782	15.2
191.03673	3.5
191.05544	40.7
192.00471	4.1
192.05916	2.2
193.01331	5.2
195.02924	3.3
199.03914	3.3
201.01884	7.7
201.05466	2.3
203.03419	4.6
205.01378	2.7
206.99284	30.0
207.99979	3.7
211.03978	3.0
214.02742	3.0
215.03456	3.8
216.04211	4.0
217.05022	5.6
219.02881	3.8
227.03491	9.8
229.05072	2.8
229.08522	2.2
230.02061	2.2
231.02933	6.0
242.02206	2.8
243.02980	9.5
244.03607	6.3
245.04512	17.3
255.02971	8.2
255.06625	2.2
259.02353	2.4
270.01639	3.1
271.02441	13.2
272.03098	3.6
273.04041	16.0
284.03250	4.6
285.03915	4.5
289.03421	3.4
299.01953	13.7
300.02594	3.1
313.05713	4.5
315.18262	2.9
316.02161	12.1
317.02991	100.0
318.03564	8.9
333.19208	2.1
341.05054	6.4
343.06583	6.5
355.06882	2.4
363.20349	5.7
364.18958	7.6
369.04590	11.3
370.05350	5.5
407.09833	20.4
435.09387	5.3
451.08743	2.7
461.07401	12.8
462.08444	1.9
479.08224	57.6
479.21466	15.6
480.08725	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	477.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87160	0.6
57.03318	3.1
58.00467	0.9
59.01249	11.7
61.98700	6.8
64.65171	0.9
69.03344	1.1
69.12084	0.6
71.01248	9.4
71.04887	0.8
72.99189	0.9
73.02815	6.9
78.11276	0.7
81.03322	1.1
83.01277	0.8
85.02836	3.8
87.00773	0.7
87.04387	7.2
88.75346	0.7
89.02316	4.8
93.03312	1.2
95.01276	1.0
97.02850	1.7
97.57517	0.8
99.00739	1.0
99.04374	0.7
101.02313	7.2
108.02052	20.8
109.02812	3.2
109.03492	0.7
113.02320	2.4
115.03867	1.7
119.04903	0.7
121.02803	0.7
125.02361	1.8
133.04948	4.7
135.00771	2.3
135.08041	1.9
137.09616	20.3
139.11223	1.2
151.00296	1.4
151.04010	0.8
151.11121	0.8
152.01064	11.2
153.01830	5.4
155.10678	100.0
156.10985	3.9
161.04459	2.5
163.03867	0.8
167.03424	6.5
169.12277	7.2
173.04514	1.0
179.03439	0.9
181.08627	4.9
182.04497	5.3
182.09087	0.8
183.04865	4.1
183.13838	1.7
191.05571	5.6
197.11728	0.8
199.09689	60.6
200.10063	3.5
213.11275	6.3
241.10756	20.5
242.11070	1.3
271.02448	1.0
271.11865	1.5
272.03314	6.2
284.03238	1.0
285.03931	1.5
286.03677	0.8
287.04480	1.3
299.01895	1.2
300.02740	46.4
301.03149	3.6
301.12930	8.1
315.05084	50.8
316.05383	5.3
361.15002	3.4
417.24252	1.2
477.09750	11.9
477.19702	88.1
478.09897	1.0
478.20102	11.2
478.61182	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89761	0.7
55.01754	2.4
57.03320	1.9
58.00465	1.5
59.01252	100.0
61.98708	2.8
69.03352	0.8
71.01254	44.1
71.51443	0.8
72.99186	3.8
73.02824	8.7
75.00771	1.2
78.95779	0.7
83.01261	4.8
85.02824	15.6
87.00784	3.9
89.02317	25.9
90.44185	0.7
93.03360	2.6
94.76077	0.7
95.01299	2.9
96.53761	0.8
99.00758	3.8
101.02328	31.8
109.02870	1.0
111.00741	0.6
113.02328	20.2
113.03072	1.3
118.97952	0.9
119.03381	10.2
119.04865	1.7
125.02353	1.7
131.03407	2.2
133.02879	1.3
135.04401	2.0
136.76511	0.8
143.03387	3.8
149.04494	1.7
152.99565	1.5
159.02937	3.0
161.04472	23.2
173.04509	1.8
179.05505	8.2
191.05548	8.7
191.07146	0.9
244.88939	0.7
255.19739	1.2
285.04034	1.1
300.02808	1.0
315.05252	1.3
345.19208	1.5
360.34048	0.7
394.99704	0.8
417.24924	49.8
418.25256	6.4
477.10220	1.2
477.17688	1.2
477.24118	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79248	1.0
51.71054	0.9
52.64471	0.8
57.66930	0.8
58.00479	1.2
59.01249	33.5
61.98702	1.8
68.99685	1.9
69.72390	0.9
71.01255	29.8
71.27572	2.4
72.99179	5.4
73.02814	7.9
75.00713	2.1
83.01250	1.3
84.65067	0.9
85.02818	9.7
85.32628	0.9
87.00761	5.4
88.00262	4.3
88.98654	1.4
89.02317	100.0
90.01826	2.7
95.01294	1.3
97.02840	1.2
99.00756	12.0
101.02321	20.5
113.02348	9.6
119.03372	4.1
121.10149	0.9
123.04359	1.6
125.02299	3.2
127.03889	1.1
131.03401	7.1
135.04369	1.3
149.02347	1.0
149.04451	7.5
150.03091	1.1
153.05466	2.2
155.03384	2.3
161.04457	7.1
165.09077	1.0
173.04616	1.0
177.05399	0.9
179.05533	1.4
191.05553	6.5
193.04944	1.3
198.90897	1.2
199.09651	1.3
225.07715	1.4
233.06573	1.3
249.03423	1.0
255.08720	3.3
301.16446	3.7
345.15414	1.8
433.20773	4.2
477.19708	86.3
478.19897	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1978
Annotation	Eremopetasitenin C2
Peak:m/z	Relative Intensity
55.01741	1.1
58.00451	1.2
59.01253	24.6
61.98681	0.7
64.23010	0.4
69.03297	0.7
69.29672	3.3
71.01258	19.7
72.01586	0.4
72.33347	0.3
72.99190	2.1
73.02822	4.7
75.00728	0.6
83.01250	1.5
84.45156	0.3
85.02828	4.6
85.99963	1.2
87.00753	6.4
89.02321	19.4
93.03342	0.5
95.01286	0.9
97.02840	0.6
99.00757	1.2
99.04377	2.1
101.02322	11.2
108.02052	1.2
109.02831	0.6
111.00751	0.4
113.02329	3.6
119.03397	1.8
121.10137	0.5
121.82738	0.4
125.02315	1.1
131.03400	20.5
133.02838	0.8
135.04433	0.6
146.54060	0.4
149.04460	4.7
152.01033	1.4
153.01880	0.7
161.02353	1.6
165.09100	3.1
173.04475	0.6
183.10146	1.1
191.05542	14.1
192.05789	0.9
271.02628	0.4
292.55618	0.4
297.06299	0.4
299.01953	0.7
315.01480	1.1
315.07324	1.2
315.12463	0.7
345.15518	1.1
477.19769	100.0
478.20108	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77597	0.6
55.01764	0.7
57.03316	1.2
58.00468	1.0
59.01249	10.5
60.04687	0.5
60.85142	0.6
61.98703	3.9
67.54513	0.6
70.69058	0.6
70.84948	1.3
71.01251	7.4
71.04875	1.0
73.02814	5.2
81.03344	1.0
83.01272	0.7
85.02803	3.2
87.00781	1.1
87.04382	5.9
89.02333	3.7
93.03367	1.7
96.93899	0.6
97.02840	1.2
97.87012	0.7
99.00787	0.9
101.02308	7.2
108.02055	10.0
109.02846	2.3
113.02322	2.0
115.03892	1.0
125.02334	1.1
133.02844	0.6
133.04955	4.7
135.00786	1.5
135.04417	0.9
135.08052	2.0
137.09618	16.9
138.09996	0.8
139.11186	1.5
139.95151	0.6
151.00302	1.1
151.11148	1.0
152.01085	5.6
152.18773	0.6
153.01845	2.3
155.10683	95.6
156.10982	3.6
161.04460	1.8
167.03412	4.2
169.12251	4.9
169.78764	0.6
173.04483	1.2
179.05627	0.6
181.08650	5.1
182.04491	1.9
183.04930	1.0
183.13864	1.3
191.05548	3.8
199.09692	62.2
200.10010	3.4
202.02596	0.6
213.11269	6.1
233.06650	0.7
241.10793	19.1
242.11136	1.3
271.02402	1.9
271.12018	1.0
272.03250	7.2
285.03848	1.5
286.04166	1.0
287.04773	0.8
299.01917	1.1
300.02731	49.5
301.03201	4.5
301.12918	10.2
313.44827	0.6
314.04034	1.3
315.05103	62.0
316.05447	4.9
345.19189	0.9
361.14993	3.3
449.09885	1.1
462.08661	0.8
477.10123	9.1
477.19717	100.0
478.12592	1.0
478.20038	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	477.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97723	1.2
55.01747	2.6
59.01250	55.9
65.03829	3.4
67.01749	4.7
68.99681	5.3
69.03323	16.1
69.46730	9.9
70.50881	1.1
71.01253	16.3
72.42327	1.1
72.98785	2.2
72.99178	33.9
73.02795	2.7
85.02813	3.5
87.00751	59.2
88.01094	9.3
89.01168	9.6
89.02318	7.0
89.17209	1.1
93.03326	13.4
94.03648	1.6
95.01238	1.5
95.04908	10.9
96.95891	1.8
96.96861	1.4
97.02801	1.3
98.20537	2.5
99.00757	26.4
101.02316	21.8
105.03341	12.1
107.04897	4.6
113.02323	7.2
117.01827	7.1
119.03366	4.5
121.02851	11.2
121.06483	4.5
123.04393	4.9
125.02378	1.3
127.03925	7.0
133.02870	7.9
133.04927	1.4
133.06517	6.0
136.18294	1.3
137.02318	4.0
137.06009	2.1
139.03903	5.0
151.03932	9.8
153.05482	54.1
154.05826	3.2
155.03392	1.8
161.04536	7.0
165.05493	7.8
166.06265	36.9
167.06516	1.4
169.04930	2.1
177.05423	2.1
181.08629	39.9
182.08890	1.6
195.02957	2.0
203.23814	1.3
209.04506	30.3
210.04878	1.3
213.04117	1.5
221.08125	5.7
227.05545	5.7
231.28944	1.2
235.08157	4.7
239.09262	7.9
265.07288	1.4
279.07651	1.5
297.09793	5.5
401.14474	4.6
417.17606	1.9
445.13409	11.0
459.14264	6.5
477.16040	100.0
478.16324	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	477.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73028	2.8
55.01740	7.6
57.03334	3.1
58.00468	3.7
59.01252	100.0
61.98704	36.7
65.03831	7.4
67.01753	12.5
68.99686	20.2
69.03321	30.9
69.50323	25.6
71.01255	74.9
72.98782	6.1
72.99180	99.4
73.02805	4.8
75.00742	12.7
81.03317	6.4
83.01255	4.8
85.02817	28.0
87.00755	9.9
88.98677	3.5
89.02312	58.5
90.01826	10.9
91.00247	61.8
93.03336	33.0
95.04895	23.6
97.02814	5.0
99.00761	58.7
101.02316	84.4
105.03345	22.3
107.04877	9.7
109.06478	4.1
109.53583	3.0
113.02313	26.0
117.01822	26.0
119.03370	18.9
120.99524	21.6
121.02848	15.2
121.06493	9.3
122.03623	5.4
123.04404	14.5
127.03900	12.7
131.03383	7.8
133.02823	14.7
133.06496	8.3
134.03612	28.2
135.04402	5.2
135.99759	6.3
136.01616	4.0
137.02342	10.6
137.05997	7.6
139.03915	7.9
143.03429	6.0
149.02362	11.1
149.04453	5.4
149.05968	30.1
150.03142	15.7
151.00266	6.0
151.03926	26.1
151.07524	4.5
152.08347	4.8
153.05470	87.9
153.09061	10.9
154.05800	3.5
161.04501	9.8
165.03711	13.6
165.05482	29.4
166.02591	12.7
166.06290	4.0
167.07008	13.7
169.05046	6.2
175.07562	4.4
177.01828	4.0
177.05376	5.9
177.09161	3.6
179.05524	11.5
181.05003	23.6
191.05545	14.7
195.06552	12.0
205.12308	4.7
209.04491	49.4
210.04918	4.2
213.03983	4.9
213.54582	3.3
221.08215	7.8
223.13507	3.7
227.05556	8.6
237.11467	3.5
239.09198	14.8
265.07086	8.3
282.09222	3.9
283.08118	8.5
297.09744	19.5
315.12360	11.2
401.14682	5.0
429.15610	5.9
445.13486	55.5
459.14810	5.7
477.10315	18.4
477.15479	73.1
478.16205	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	477.1614
Annotation	Scroside D
Peak:m/z	Relative Intensity
55.01739	1.5
59.01249	20.0
65.03847	1.4
67.01764	3.5
68.99683	6.1
69.03323	16.0
71.01254	13.5
72.99178	39.4
85.02824	2.5
87.00768	2.2
88.06042	1.3
89.02309	6.7
93.03326	8.3
95.04897	9.6
96.96860	2.0
97.02808	1.7
99.00754	26.0
101.02323	23.5
105.03342	11.2
107.04905	5.3
113.02327	5.4
117.01803	9.5
119.03390	2.8
121.02835	3.0
121.06480	4.0
123.04403	4.5
127.03899	4.8
133.02856	8.8
133.06454	6.1
134.51889	1.5
137.05984	1.6
139.03868	7.0
149.02296	1.7
151.03889	12.0
153.05473	62.2
154.05798	2.0
157.50252	1.3
165.05482	8.0
166.06229	1.8
169.04985	2.9
177.05501	3.3
179.05585	2.0
181.08594	3.0
191.05551	3.0
195.02870	1.3
195.06612	2.1
197.34547	1.4
198.24828	1.1
209.04491	31.3
218.60382	1.4
221.08121	6.6
227.05548	5.3
239.09216	9.6
246.00606	1.6
297.09796	7.5
401.14569	5.5
445.13394	10.3
459.15109	1.9
477.16122	100.0
478.10397	2.3
478.16348	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	477.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01725	5.2
58.00443	2.2
58.99452	2.2
59.01251	58.5
61.98711	9.8
61.98996	2.3
65.03822	2.9
67.01730	5.7
68.99691	14.2
69.03328	25.8
69.17259	20.5
71.01257	35.9
72.99181	72.0
73.02779	4.3
74.87488	1.6
75.00731	1.9
75.16330	1.4
76.55353	1.8
78.86580	1.6
83.01243	1.9
85.02819	8.9
87.00729	4.8
89.02314	32.0
93.03325	18.1
95.01239	3.1
95.04336	1.7
95.04892	18.7
97.02799	4.3
99.00764	55.4
100.04826	2.0
101.02325	64.9
102.02580	1.6
105.03350	20.6
107.04911	13.9
113.02319	10.0
115.03829	2.1
115.14312	1.7
117.01828	24.0
119.03406	11.9
119.04798	1.8
120.99534	18.7
121.02785	5.8
121.06420	8.3
123.04425	10.1
127.03902	13.5
131.03333	6.1
131.04930	2.0
133.02847	15.4
133.06511	14.0
134.03558	5.2
135.04298	2.1
135.99709	5.4
137.02249	4.9
137.05882	5.0
139.03902	13.2
143.03374	2.7
145.06447	2.4
149.02260	7.9
149.05978	11.4
151.03908	24.6
153.05481	100.0
154.05745	4.2
165.03854	12.4
165.05458	17.7
167.06934	6.0
169.04903	4.7
172.16599	1.6
173.05882	1.8
177.01707	4.9
177.05351	2.6
179.03368	2.9
179.05440	5.8
189.12596	2.1
191.05473	3.0
191.06985	3.2
193.04907	3.2
195.02811	3.6
195.06393	5.0
202.90935	1.9
203.07030	4.1
209.04506	51.3
213.03902	4.0
220.31767	1.8
221.08202	12.2
227.05518	9.5
239.09239	16.3
265.06961	6.8
283.08026	5.5
297.09769	15.1
373.10938	3.3
401.14136	2.5
433.77383	1.9
445.13477	49.4
446.13431	4.0
459.14902	4.2
477.10022	20.0
477.15781	71.3
478.16101	7.6
493.40125	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	477.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29326	1.2
56.34286	1.2
58.65978	1.4
58.99467	4.9
59.01251	38.0
61.98702	4.4
67.01769	1.8
67.48032	1.5
68.99689	1.8
69.03320	7.0
71.01254	32.4
71.50670	2.3
72.99174	6.9
73.02814	6.5
75.00745	57.5
75.32251	1.4
83.01261	2.0
85.02810	8.1
87.00745	9.0
88.00246	1.9
89.02316	24.2
90.99724	1.5
93.03354	3.5
97.02811	4.6
99.00748	3.7
101.02326	20.2
102.01852	1.9
102.98455	3.1
113.00552	5.4
113.02331	11.5
119.03394	7.0
120.98682	3.0
120.99538	51.1
123.04392	3.6
125.02396	1.6
131.04921	1.7
135.99783	27.1
137.00583	1.7
137.04202	4.5
141.01825	2.3
143.01433	1.6
143.03374	2.3
147.02655	3.3
149.02316	2.4
149.04468	4.2
149.05998	3.6
150.01289	3.4
156.99556	1.7
161.04448	5.4
165.03711	77.5
166.04042	4.3
179.05553	1.9
181.04903	1.9
191.05516	4.5
193.04991	9.1
201.11301	1.6
209.02744	12.5
223.29654	1.3
315.05411	2.2
332.02188	1.5
339.12848	1.5
345.15494	5.7
346.31100	1.5
373.11411	6.5
401.14630	2.7
477.10669	100.0
477.19537	24.3
478.10989	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	477.1076
Annotation	chlortetracycline
Peak:m/z	Relative Intensity
53.45136	0.7
58.00454	1.2
58.99472	6.1
59.01256	22.1
61.98674	0.9
64.63373	0.6
67.01767	0.9
69.03321	6.0
69.27106	6.7
71.00899	1.0
71.01258	13.1
72.99181	1.9
73.02815	0.9
73.71189	0.7
82.99484	1.2
85.02813	2.8
87.00771	1.4
89.02318	14.8
93.03333	3.0
95.01261	0.9
96.00293	1.2
97.02846	4.9
99.00725	1.2
101.02328	6.9
102.98500	3.3
109.58259	0.8
113.00555	4.1
113.02337	4.4
119.03380	3.6
119.04810	0.9
120.99549	61.6
121.02852	1.4
121.06444	0.6
122.01865	0.7
123.04411	1.5
131.03395	0.7
131.04956	1.2
134.03627	2.7
135.02643	0.8
135.04349	0.7
135.99797	15.9
137.00571	0.8
137.04178	2.1
141.01900	1.1
147.02681	3.7
147.04436	0.7
149.02350	1.5
149.04759	0.8
149.05984	6.9
150.01367	2.2
156.99568	3.4
163.02058	0.7
165.03717	45.6
166.04019	1.3
167.07037	2.8
179.05487	0.7
183.10242	0.8
191.05533	2.7
193.04993	9.7
203.41692	0.6
209.02802	4.1
211.77025	0.7
253.05322	1.5
294.08725	0.7
297.04404	1.9
315.05511	1.6
315.12399	2.9
318.56250	0.7
325.17776	0.7
345.15588	1.0
355.09946	1.5
373.11319	6.5
374.12210	0.9
477.10739	100.0
478.11063	11.1
483.26437	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.104
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79919	0.4
57.03342	0.6
59.00958	0.7
59.01250	12.8
61.98705	1.2
69.03307	0.7
71.01247	1.9
73.38192	0.4
83.01248	0.8
85.02793	1.0
89.02354	1.0
93.03325	1.3
96.95893	1.3
101.02314	2.0
107.01262	1.7
109.02837	0.6
111.00744	0.5
113.02356	0.7
113.48129	0.4
121.02840	0.9
123.04446	0.4
125.02367	3.0
125.03106	0.5
133.02820	0.9
147.04453	1.2
149.02354	1.6
149.05978	0.6
150.03108	1.0
151.00288	5.3
153.01822	0.8
155.04944	0.4
155.10721	2.3
161.05977	0.6
169.01357	0.9
171.04410	0.5
173.56718	0.4
175.07579	0.6
177.05533	0.6
178.99706	0.6
187.03969	0.5
191.05515	4.2
192.05923	0.6
199.03938	3.9
199.09596	0.7
200.04532	0.5
201.01790	2.0
202.02567	0.5
203.03510	0.7
209.04404	1.0
215.03482	4.1
225.01823	0.4
227.03485	3.9
229.01399	0.8
242.02184	10.3
243.02966	45.4
244.03358	3.5
255.02948	1.3
257.04559	11.1
258.04886	0.9
270.01697	12.9
270.04633	0.8
271.02469	46.3
272.02866	3.8
285.04044	25.1
286.04788	8.5
287.05502	0.7
299.01971	9.7
300.02682	5.8
314.04324	51.1
315.04959	12.1
316.05334	0.6
357.06317	0.8
417.24957	1.3
477.10397	100.0
477.18887	5.4
478.10721	11.5
478.19678	0.6
493.83887	0.5
501.80533	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06355	0.7
53.43045	0.7
59.01261	4.8
61.98660	1.0
63.02238	1.0
65.00188	4.1
70.53491	0.8
71.01222	1.7
72.99132	0.7
73.02807	1.0
81.54868	0.6
82.94975	0.7
83.01237	1.7
85.02789	2.8
87.00700	0.6
89.02308	1.9
90.39298	0.7
93.03310	2.3
98.20671	1.5
101.02283	2.0
107.01234	2.2
109.02846	1.0
119.01247	1.5
121.02809	0.7
125.02299	2.8
133.02800	2.1
136.01523	1.2
136.98720	7.3
137.02315	2.0
137.09561	2.0
138.71623	0.7
147.00815	0.9
147.04378	1.0
149.02335	1.1
151.00294	8.0
151.03831	1.8
153.01854	0.7
155.10677	10.2
161.02342	0.9
163.00259	3.1
163.03792	0.9
164.01001	1.1
165.01868	6.5
166.99773	0.9
169.05576	0.7
171.04347	1.1
173.02217	0.8
173.04407	3.2
174.03085	1.1
175.00299	1.1
175.03909	1.4
177.01778	1.9
185.02345	1.0
189.01945	0.8
191.05505	1.9
193.01242	1.1
199.03937	4.3
199.09703	7.3
200.04623	2.0
201.01874	2.4
202.02486	1.8
203.03378	1.7
205.01265	1.0
211.03889	0.8
213.01935	1.2
214.02708	0.9
215.03383	2.6
216.04210	2.1
226.02467	0.8
227.03435	4.6
228.04137	2.8
239.03372	0.8
241.01448	0.9
241.10707	2.0
242.01965	1.3
243.02963	6.3
244.03459	1.0
255.00250	1.2
255.02919	9.6
256.03592	3.3
257.04526	0.8
259.02191	0.7
270.01718	1.2
271.02481	51.4
272.02960	6.4
282.01663	2.6
283.02414	5.7
284.03201	2.9
285.03940	3.1
285.06906	0.8
287.05588	2.3
296.02853	0.9
299.01968	43.4
300.02707	45.3
301.03183	4.6
301.12906	1.9
303.21866	1.0
313.03522	3.2
314.00702	0.6
314.04254	17.5
314.85196	0.8
315.05090	100.0
316.05481	8.5
329.02899	1.6
339.05023	0.9
357.06299	1.8
447.09055	1.0
462.07990	8.2
463.08411	1.2
477.10425	62.7
477.19232	2.0
478.10889	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	477.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01194	2.0
60.09283	0.3
61.98663	0.7
65.00188	3.9
69.45820	2.4
69.46223	0.7
71.01231	0.8
80.96335	0.4
81.22072	0.3
83.01208	0.9
87.00710	0.5
89.02279	0.6
95.01213	0.8
96.99100	0.4
101.02272	0.7
107.01248	2.4
113.02217	0.4
119.34600	0.4
123.00777	0.7
124.01462	0.5
125.02278	0.9
133.02798	1.2
134.03563	1.1
136.97775	0.4
136.98714	5.8
137.02257	1.0
139.00237	0.6
146.03545	0.4
147.00673	0.6
148.01498	1.6
149.02296	1.5
149.99533	0.4
151.00272	10.8
152.00648	0.5
155.04733	0.4
161.02261	0.6
163.00319	0.4
163.03796	0.5
164.01009	0.5
165.98911	0.8
169.01244	0.4
172.05095	0.6
173.02351	0.5
174.03067	1.0
175.00204	1.0
175.02325	0.8
175.03850	1.1
177.01811	1.0
183.04424	0.7
185.02242	0.4
186.02983	0.5
187.03891	0.7
188.04736	0.6
189.01689	0.4
190.02670	0.5
191.05431	1.6
193.01268	0.4
198.03107	0.4
199.03944	2.5
200.04584	1.0
201.01854	1.9
202.02489	0.8
203.03355	0.9
211.03972	0.7
213.01915	0.6
214.02632	1.2
215.03305	0.8
216.04147	1.5
227.03412	3.8
228.04152	2.4
229.01291	0.7
229.04950	0.5
230.02032	0.9
231.02806	0.7
232.03728	0.7
241.04912	0.5
242.02136	0.9
243.02979	3.5
244.03429	0.7
254.01949	0.6
255.02930	3.5
256.03592	1.7
269.04584	0.4
270.01486	0.4
271.02441	8.3
271.05609	0.6
272.03073	2.7
282.01593	1.7
283.02463	4.3
284.03052	1.5
285.03983	1.8
287.02066	0.7
297.03949	0.4
298.98709	0.7
299.01959	10.0
299.05338	0.6
300.02725	56.4
301.03094	4.1
313.03555	1.5
314.00677	0.7
314.04126	5.2
315.05087	100.0
316.05392	7.8
329.02847	0.7
341.05014	1.1
357.06262	1.6
397.10602	1.2
445.07861	0.7
447.08926	0.7
462.08002	5.3
463.08600	0.6
477.10431	32.8
477.62680	0.5
478.11066	3.8
503.11096	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	50.5
68.99689	2.9
69.03336	2.8
71.01253	18.4
71.51079	1.3
72.99181	3.1
73.02797	1.3
78.95782	1.4
85.02811	6.9
86.02363	4.3
86.53421	1.3
87.00757	100.0
88.00283	12.8
88.03905	1.3
89.02324	18.3
89.40963	1.1
93.03338	3.5
95.01258	6.0
95.04951	1.4
99.00729	1.6
101.02323	15.0
113.02328	6.8
119.03394	6.2
121.02834	3.1
123.04445	7.1
127.03890	1.3
131.03372	2.1
131.45265	1.2
137.02283	1.7
143.03409	2.0
146.57228	1.2
149.02362	2.9
151.00223	1.7
153.01842	2.7
155.03415	21.3
156.03770	1.7
161.02290	1.4
161.04420	2.7
164.12991	1.2
173.04419	2.7
176.63654	1.2
179.03413	1.1
179.05531	2.8
181.01382	2.3
185.56267	1.3
191.05542	30.2
192.05888	2.0
225.05803	2.6
225.07791	1.6
237.87994	1.3
263.12677	1.3
285.04059	2.7
326.20157	1.3
415.23248	2.0
475.14481	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	475.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	76.6
68.99676	4.3
69.03326	3.6
69.17854	12.0
69.18278	8.4
71.01252	31.4
72.99184	2.4
73.02813	3.8
75.00736	2.5
78.95298	1.6
83.01252	2.6
85.02807	7.1
86.02337	6.2
87.00748	100.0
88.00279	19.7
88.03919	2.5
89.02317	37.1
93.03304	3.9
95.01262	4.7
98.20514	2.9
99.00731	2.5
101.02316	30.3
110.58781	1.7
112.01106	1.7
113.02311	11.3
115.03924	1.7
116.34033	1.7
119.03383	11.1
121.02850	3.0
122.43302	1.8
123.04391	6.6
131.03391	4.9
135.04402	2.8
143.03368	3.1
149.04445	13.7
151.03944	2.4
155.03413	12.1
158.67854	1.8
161.02385	1.8
161.04428	4.8
164.04694	4.7
175.03896	5.2
179.03377	2.3
179.05498	6.9
179.06985	4.6
181.04930	2.8
189.47647	1.7
191.03883	2.8
191.05528	17.1
225.07664	2.5
283.11902	5.3
313.10898	3.9
392.14087	1.8
415.15958	7.4
475.17203	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	475.182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02365	0.9
57.03321	1.0
58.00465	1.0
59.01252	100.0
60.01596	1.1
61.98710	1.5
67.65945	0.8
68.99699	5.2
69.03324	10.6
69.45715	7.2
71.01254	24.9
72.99194	2.4
73.02821	7.5
75.00734	1.8
83.01277	3.4
85.02826	7.9
87.00748	6.6
87.04410	1.0
89.02318	26.2
89.79497	0.9
93.03355	1.9
95.01273	2.1
95.04911	1.1
95.70042	0.8
97.02858	1.2
98.20618	1.5
99.00763	1.4
101.02326	36.9
102.19116	0.8
105.03330	0.9
113.02342	9.9
115.03913	0.8
119.03391	9.8
121.02866	1.4
123.04375	1.2
131.03372	2.0
135.98257	3.4
143.03392	3.2
149.02330	2.3
149.04488	2.7
151.00319	0.9
152.06827	0.8
161.04442	4.1
165.05428	1.1
177.62689	0.9
179.05513	3.8
181.01317	0.9
183.06563	16.0
191.05548	10.1
205.85976	0.9
253.10780	5.9
292.90225	0.9
315.12399	1.3
415.16684	1.7
415.23233	2.6
433.24786	1.1
460.17484	1.3
475.19360	8.1
500.30283	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53688	0.3
56.45557	0.3
59.01251	0.8
66.28889	0.4
70.26009	1.2
78.71412	0.3
78.95779	21.9
84.72906	0.3
122.00019	0.9
129.53276	0.3
140.01096	5.7
141.83571	0.3
152.99496	2.1
171.00591	0.5
191.05702	0.4
196.03732	10.7
207.70781	0.4
214.04810	2.8
240.58727	0.3
279.23288	100.0
280.20746	0.6
280.23639	9.4
476.27829	26.6
477.28415	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	476.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
58.13050	0.3
59.01240	0.7
70.03602	1.5
78.95776	11.3
96.96844	0.6
121.99987	0.3
140.01094	2.4
150.16057	0.3
152.99532	1.5
158.29453	0.3
171.00507	1.1
196.03709	1.3
214.04802	2.9
261.22229	0.4
279.23282	100.0
280.23633	8.9
321.43375	0.3
337.08359	0.3
476.27835	10.5
477.28094	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	475.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	5.3
63.51212	0.5
65.03806	0.6
67.01772	1.2
67.81242	0.5
68.93654	0.4
68.99689	1.9
69.03331	2.6
70.07384	1.2
70.07785	1.0
71.01266	2.4
72.98820	0.4
72.99189	1.8
75.44403	0.4
85.02831	0.8
87.00754	100.0
88.01086	1.7
89.02328	1.7
93.03338	3.2
95.01270	1.0
95.04939	0.5
96.96812	0.4
98.20409	0.9
99.92489	0.6
101.02328	4.1
109.02762	0.5
113.02319	1.6
114.72469	0.5
115.00268	0.7
115.91978	0.7
119.04926	0.6
121.02833	1.9
121.06457	0.7
123.04385	1.5
127.03903	2.5
133.04990	0.7
135.04385	1.2
137.05923	0.6
149.02345	0.8
153.05490	8.2
155.03423	1.3
179.03474	0.8
179.07037	1.0
181.05020	3.4
193.05020	0.8
197.04506	1.9
225.04082	2.7
265.02252	0.4
341.08713	0.9
457.13556	5.3
475.14658	12.9
476.14917	2.0
494.25940	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31523	0.7
54.90963	0.5
59.01240	4.1
62.68711	0.6
65.03844	0.8
67.01750	1.4
68.99692	1.4
69.03320	2.6
69.27081	5.8
71.01258	1.9
73.59863	0.7
73.65275	0.6
87.00746	100.0
88.01089	1.3
89.02328	1.1
93.03329	2.7
95.01228	0.6
98.20683	1.1
99.00759	0.8
101.02311	3.3
113.02330	1.3
121.02904	1.2
121.06412	0.8
121.18172	0.6
127.03905	3.0
136.90108	0.6
153.05481	5.7
164.77220	0.6
181.05011	0.8
191.05536	0.9
193.05002	0.8
225.04012	1.6
443.11588	0.8
457.13608	6.4
475.14490	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26845	0.3
59.01252	1.8
69.36472	2.9
71.01247	0.5
78.95772	25.6
92.08421	0.3
98.19818	0.8
121.99973	0.9
129.95549	0.4
140.01080	6.2
150.35042	0.3
152.99466	3.0
171.00571	0.6
196.03723	11.8
197.04076	0.6
205.19586	0.4
214.04800	2.8
220.76682	0.3
277.21704	100.0
278.22040	9.2
396.24069	0.4
474.26202	27.7
475.26678	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	2.4
61.98688	0.6
63.02282	0.5
65.00185	0.5
70.82291	0.9
70.82619	0.4
77.23367	0.4
85.38239	0.4
107.01258	1.4
125.02384	0.4
132.02100	0.8
133.02861	1.5
135.04391	0.4
145.02835	0.4
146.03668	0.3
149.02431	0.6
151.00299	3.0
154.18871	0.4
161.02335	2.3
175.03871	0.8
176.04701	0.5
183.04427	1.1
185.02328	0.4
191.05536	0.5
198.03191	0.5
199.03889	1.1
201.01877	0.6
209.11790	1.0
211.04015	0.6
214.02667	0.4
226.02629	0.4
227.03427	3.8
242.02318	0.4
243.02992	0.9
253.04887	0.4
255.00282	0.8
255.02954	17.9
256.03732	36.1
257.04111	2.7
270.01614	0.5
271.02420	1.6
281.04578	1.1
283.02469	22.4
284.03241	100.0
285.03885	21.3
286.04337	1.2
298.04745	1.7
299.01956	6.5
299.05518	2.1
300.02692	1.4
309.04007	4.1
313.03549	3.6
314.04288	5.0
315.04886	0.5
400.05762	0.7
401.06750	0.4
403.04578	0.5
417.06131	0.5
443.07913	2.0
445.04990	0.4
460.06989	0.5
475.10291	40.5
476.10696	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	475.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72188	4.3
58.04939	4.6
59.01247	7.7
60.15593	5.1
70.98871	5.0
71.01250	25.7
71.49883	7.0
75.35652	4.6
78.95764	5.2
79.04009	4.6
87.00742	28.5
89.02325	8.8
96.74712	5.7
96.96787	5.7
103.33782	5.0
115.00256	16.8
133.01320	30.1
133.04970	100.0
191.05550	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	475.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	50.4
68.99693	5.8
69.03352	2.7
69.35878	15.7
71.01254	18.8
73.02826	2.0
75.00752	2.0
80.48927	1.5
85.02816	4.6
86.02360	4.0
87.00748	100.0
88.00266	14.4
88.01083	2.0
89.02320	18.9
93.03341	2.3
95.01260	14.2
96.31508	1.6
98.20563	3.3
101.02314	18.2
104.87610	1.7
105.01807	1.9
111.71954	1.8
113.02328	6.7
119.03394	6.1
121.02872	3.2
123.04408	14.8
142.07756	1.9
149.02356	5.4
155.03404	54.8
156.03705	3.6
167.03424	3.9
175.03894	2.1
177.01833	9.6
179.05556	3.6
191.05533	6.6
225.07610	2.0
243.04916	2.0
251.89528	1.6
281.06570	3.1
475.08749	4.3
475.14505	24.1
475.20459	3.1
476.14859	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	474.1254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10667	0.8
59.01249	7.6
61.98703	100.0
69.03329	0.9
71.01247	2.8
71.50745	0.7
71.51108	1.0
73.02818	0.9
73.64781	0.7
85.02834	2.5
87.00751	1.1
89.50229	0.9
92.14142	0.7
93.03344	1.8
101.02342	1.2
108.02018	0.7
135.04439	1.3
148.05196	19.4
163.07553	29.5
164.07912	1.8
173.04507	2.0
176.04010	1.7
191.05560	9.9
229.67648	0.9
369.56186	0.9
411.13370	1.2
415.23239	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	474.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70218	0.5
59.01252	100.0
60.01594	1.2
69.03328	11.6
71.01250	12.9
71.01617	0.9
72.99210	1.1
85.02818	3.1
87.00755	1.6
89.02322	17.3
94.02856	6.7
95.01302	0.6
98.20580	1.2
101.02312	6.2
103.88139	0.7
113.02350	6.0
119.03394	6.2
122.02373	86.3
123.02728	2.1
130.56058	0.7
143.03394	0.8
149.02321	1.0
161.04439	1.5
174.05534	0.9
179.05525	4.3
181.98419	0.7
182.02750	18.4
183.03062	1.2
191.05585	1.4
192.06589	2.4
246.05089	0.6
252.07010	9.6
285.26639	0.8
329.13766	0.7
412.68832	0.7
414.12338	1.8
475.18939	1.1
489.16879	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27710	0.2
59.01253	1.2
67.20744	0.2
70.52509	0.5
70.52899	0.6
78.25970	0.2
78.95773	13.5
96.96864	0.3
125.51530	0.2
135.47823	0.2
140.01070	2.5
152.99475	1.8
171.00540	0.8
175.41684	0.3
196.03748	1.3
214.04807	3.3
259.20502	0.3
277.21698	100.0
278.22031	9.0
286.61823	0.2
310.23035	0.3
327.58655	0.2
474.26205	12.8
475.26810	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42686	2.7
56.97900	6.1
58.99477	3.2
59.01253	56.2
60.97390	7.4
63.96090	2.5
67.51741	2.6
68.99668	2.7
69.03328	7.5
70.82364	6.9
71.01252	39.9
72.99180	2.9
74.98974	2.9
83.86097	2.4
85.02819	5.9
87.00757	3.5
89.02317	47.0
94.02855	5.5
96.90224	2.8
100.02170	2.8
101.02332	30.1
103.05481	3.2
106.33868	2.4
107.53088	2.2
112.03904	6.4
113.02316	14.1
118.97955	3.4
119.03400	25.5
122.02381	39.4
144.04416	5.1
146.06030	6.2
147.04396	2.9
152.01611	2.8
160.03870	2.6
161.04477	3.7
163.02040	3.5
172.03986	5.9
172.07608	3.7
173.04709	4.1
174.05493	7.9
179.05504	9.0
180.01163	90.9
186.05598	4.1
188.07082	6.7
190.03339	4.1
190.05042	7.4
192.06612	8.9
198.02264	3.3
198.05519	9.9
200.07314	3.4
204.04738	4.3
216.06619	22.5
232.04338	80.7
233.04752	5.5
242.01300	5.1
250.05383	7.5
294.04556	6.3
312.05331	16.6
412.10706	10.1
474.10797	100.0
475.11057	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	471.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
57.34289	1.0
58.00457	1.2
59.01244	19.2
60.89137	0.9
61.98694	1.1
69.17971	10.4
70.37882	0.9
71.01250	16.2
72.99171	1.0
78.95773	1.2
87.00732	1.4
89.02314	24.8
90.02615	1.1
94.09240	1.0
98.19799	2.2
101.02300	4.1
113.02337	5.7
119.03398	5.4
125.05963	1.0
149.04543	1.0
152.56586	1.0
161.04446	1.8
163.11195	1.1
165.12749	18.0
173.01492	1.1
179.05524	6.3
191.05499	1.5
195.51973	1.2
247.20674	8.5
273.18640	5.9
291.19644	100.0
292.19983	9.0
332.22159	1.2
383.54956	1.1
466.23798	1.1
471.34650	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3476
Annotation	Corosolic acid
Peak:m/z	Relative Intensity
67.54308	0.3
69.21246	2.8
71.04887	0.5
90.90416	0.3
91.01355	0.3
100.66721	0.3
100.80632	0.3
183.99094	0.3
261.42075	0.3
384.34808	0.4
393.31818	0.6
405.31583	0.4
411.32553	0.5
427.35471	0.5
439.40604	0.4
451.31781	0.3
453.33713	4.5
454.34009	0.8
471.34747	100.0
472.35098	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	473.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00461	4.3
59.01246	48.2
61.98693	2.4
64.18609	1.5
65.03817	3.2
67.01759	7.9
68.99685	24.2
69.03323	27.2
70.25264	5.4
71.01250	34.4
72.99182	3.3
73.02800	2.7
78.95748	2.1
82.92351	1.5
83.01263	12.5
83.04858	1.8
85.02830	14.9
87.00729	4.2
87.58075	1.4
89.02312	33.1
92.63387	1.7
93.03333	79.8
94.03672	1.8
95.01254	3.3
95.04894	6.2
99.00729	2.0
101.02319	65.1
106.04091	2.4
107.04884	9.6
113.02332	15.0
119.03403	17.2
119.04840	2.2
121.02839	100.0
121.06471	33.6
122.03135	4.3
127.03899	17.5
135.04408	3.6
137.02290	3.9
143.03291	1.9
145.06477	4.5
147.04483	1.7
147.08057	2.0
149.02371	9.1
149.05969	2.4
151.03874	4.8
152.99406	2.0
153.05476	32.0
161.04459	3.8
161.05887	1.8
165.01857	18.1
165.05505	18.3
171.04416	3.0
173.05977	11.1
179.03407	18.0
179.05544	3.7
180.03740	2.1
181.04948	6.0
187.07484	2.1
189.05450	2.5
191.05507	5.5
191.07021	4.0
197.04494	65.5
198.04773	1.8
201.11281	8.8
205.08606	6.4
209.11832	3.7
217.05002	2.6
223.09566	2.8
231.06624	1.8
235.06044	1.7
236.60242	1.4
249.07693	15.4
267.08762	3.7
341.08752	15.4
411.12338	3.1
429.13956	12.7
473.12842	85.5
474.13217	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	473.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98730	0.7
59.01250	100.0
60.01590	1.9
61.98695	2.9
70.56371	2.4
76.38627	0.7
78.95787	1.4
93.03349	0.8
141.42909	0.9
179.49536	0.9
341.07233	0.9
473.32651	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	474.107
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97892	4.6
58.00451	4.0
58.99475	7.4
59.01248	100.0
60.97388	18.0
61.98696	5.9
62.95097	3.9
63.47609	3.5
68.99683	6.3
69.03320	14.5
69.68901	7.4
69.69302	23.6
70.02838	6.3
71.00887	6.3
71.01256	51.0
72.99186	7.1
74.98965	6.5
76.98643	4.2
85.02829	15.0
87.00774	8.4
89.02316	51.8
94.02845	4.6
95.01244	4.8
97.02875	3.7
101.02300	29.2
102.98472	6.3
112.03923	16.7
113.02333	21.9
117.19984	3.3
118.97964	4.9
119.03366	22.9
119.04881	8.3
120.04456	5.3
121.02843	14.7
122.02382	26.9
144.04451	6.6
146.05981	6.8
147.04401	13.9
152.01628	4.6
160.04002	4.0
161.04425	4.3
162.05531	6.7
163.02139	10.0
164.03433	13.9
169.94756	4.0
170.05972	5.9
172.03934	6.9
179.05531	12.8
180.01164	64.0
181.03198	5.9
188.07147	19.0
190.03336	7.5
190.05013	18.3
191.05469	14.1
198.02187	4.5
198.05583	8.0
204.04811	4.7
216.06599	60.9
222.05836	9.6
226.01817	9.2
232.04315	69.8
234.07712	7.6
242.01323	6.6
250.05362	14.5
258.07736	6.8
266.04883	14.7
285.03900	5.6
294.04391	11.5
312.05499	16.7
312.76480	4.2
313.03290	6.6
315.03717	4.2
412.10721	8.0
423.72757	4.4
430.11874	7.0
464.62592	4.2
474.10770	82.6
475.10876	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	468.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93522	1.1
56.43471	1.1
59.01249	8.9
60.99181	1.3
61.98703	100.0
67.01766	5.3
69.03321	1.3
70.49751	2.0
70.50152	2.7
71.01251	5.4
74.98964	1.9
75.00758	1.9
83.04909	1.8
85.02811	6.2
86.03183	2.2
87.00734	5.5
89.02328	3.8
93.03334	25.9
94.03674	9.0
101.02309	2.9
111.04380	3.3
127.03897	1.6
129.01794	1.7
134.03687	1.3
141.46147	1.2
155.03415	1.2
164.12563	1.1
173.04474	9.8
173.05888	1.4
174.04865	5.3
187.07555	3.1
188.07919	3.0
191.05542	70.9
192.05876	32.8
192.07686	1.3
193.06061	3.2
214.09534	1.6
232.10405	1.8
257.08118	4.7
258.08563	8.9
275.09436	2.2
276.09665	3.7
427.50613	1.4
450.14832	19.6
455.66718	1.3
467.28784	1.9
468.15921	6.5
468.29089	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	469.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45746	3.7
53.19896	3.3
54.61686	3.1
58.00460	4.0
59.01245	62.8
68.85694	3.5
69.51158	6.4
69.51563	20.6
71.01247	47.5
73.02805	7.5
85.02822	5.8
89.02312	76.3
98.20541	7.2
101.02324	44.6
111.33324	3.7
113.02307	6.9
119.03403	12.3
131.03404	35.1
135.04462	7.1
149.04457	100.0
161.04512	4.8
165.01807	4.9
179.03444	8.9
179.05533	4.6
185.16158	3.7
191.05499	18.6
195.06506	4.9
245.82364	3.7
296.59204	4.2
360.27414	4.1
362.88950	3.9
409.17206	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	470.2621
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11795	0.3
58.02851	2.9
59.01254	2.2
61.98687	1.2
63.22754	0.3
67.01783	0.7
68.99667	0.7
69.03297	0.9
69.98586	1.9
71.01248	1.0
71.81523	0.4
73.02829	0.5
73.03937	4.0
74.02343	24.2
76.55298	0.4
78.95783	0.4
80.04926	0.4
82.06511	0.5
84.00787	0.5
85.02822	1.5
85.03999	0.4
87.00775	0.7
87.05510	8.2
89.02296	0.4
93.03349	2.6
94.03685	0.5
96.95853	0.8
97.03944	0.5
101.02312	0.9
101.07076	0.8
109.03954	0.6
110.02380	3.5
111.04369	0.6
111.05508	1.0
112.02666	1.5
112.03906	1.1
125.07078	0.6
125.45980	0.4
126.05720	0.7
126.06625	6.2
126.09161	2.7
127.03976	0.6
127.05031	1.4
128.07057	0.4
129.06595	10.0
129.10231	4.0
129.35756	0.4
130.08632	2.1
134.03630	0.5
135.04382	0.9
135.09085	0.4
139.08650	1.7
140.07082	3.5
141.10193	0.7
143.11803	16.2
144.07687	21.9
144.12233	0.5
151.00351	0.5
151.08678	2.4
153.10228	1.7
158.09207	2.8
168.07693	12.5
168.11340	1.2
169.06161	0.4
169.08202	0.6
169.09737	3.8
170.18733	0.4
173.04462	1.5
174.04813	0.5
179.03391	0.9
186.08769	27.4
187.09207	0.8
187.10809	3.7
191.05542	7.6
192.06047	0.5
195.14931	0.7
197.16515	1.4
199.18054	0.5
200.10403	0.5
200.14015	1.1
212.14148	0.5
214.15494	0.9
221.16512	0.9
225.11093	1.0
225.15906	2.5
238.19279	0.6
239.15047	1.2
254.15129	0.5
256.20291	17.2
257.20593	1.2
269.04333	0.6
270.04633	0.5
271.05957	0.5
278.18707	0.5
281.04712	0.5
281.16080	1.4
282.18170	1.1
290.52280	0.4
299.17258	0.7
300.19287	1.1
307.04916	0.4
308.05505	0.8
313.22430	5.6
314.22650	0.7
316.15695	0.5
357.21350	0.7
384.26019	2.3
395.23111	0.5
426.27213	1.4
428.25244	1.2
470.26157	100.0
471.11508	0.4
471.26456	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	467.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
57.84060	0.5
59.01239	2.5
71.01252	0.7
71.30480	0.9
75.44469	0.4
77.81877	0.6
78.95779	10.8
93.03330	1.4
96.96823	1.2
152.99490	20.5
153.99786	0.6
171.00557	1.7
173.04434	0.8
178.12038	0.5
191.05516	1.9
196.53850	0.6
221.19040	0.6
227.03178	4.0
239.20125	100.0
240.20464	7.3
242.22070	0.9
245.04279	8.0
256.28839	0.5
307.76840	0.6
398.05914	0.6
449.13763	0.5
467.24115	29.6
468.24350	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	467.0958
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	0.3
59.01243	1.8
61.98705	0.9
62.53261	0.3
62.96284	0.3
67.01748	0.6
68.99670	0.9
69.03302	0.6
69.18418	0.3
69.47097	1.1
69.47539	1.3
71.01247	1.3
72.99187	0.4
73.02808	0.3
75.00735	0.6
78.95775	100.0
83.04871	0.3
85.02826	2.7
87.00743	0.8
89.02311	1.0
93.03316	2.9
95.01251	3.0
96.96839	21.6
98.20676	0.3
101.02328	2.2
111.04390	0.8
113.02324	0.5
123.00746	0.4
123.04398	2.5
127.03880	0.6
137.02322	0.4
138.97929	3.9
146.03592	0.4
150.97926	0.4
155.02214	0.5
155.03407	6.6
155.04684	0.4
159.04437	0.6
160.85132	0.3
162.97946	0.5
173.04457	2.3
173.05756	0.4
174.03085	0.6
176.04759	0.9
180.98958	0.8
187.07593	2.4
191.05537	28.6
192.05922	0.9
195.06525	0.7
202.06290	0.9
203.07008	0.5
203.10687	0.5
205.08626	0.6
223.00133	0.8
231.10213	3.0
233.08186	0.5
241.01144	9.8
249.11217	1.0
257.08197	1.5
275.09247	6.4
290.51724	0.3
293.10239	1.0
311.05359	13.1
344.60675	0.4
359.93286	0.3
435.06656	0.4
444.37836	0.4
449.14359	2.1
467.09573	27.6
467.15503	2.3
468.09763	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	0.7
57.03330	2.0
58.00470	4.4
58.56157	0.6
59.01249	77.8
60.99175	1.5
61.98708	2.4
63.88578	0.6
67.01761	4.6
68.99686	57.1
69.03326	15.6
70.00039	0.8
71.01252	66.9
71.04876	0.6
71.50810	0.8
72.01578	1.5
72.45858	0.5
72.99173	6.4
73.02815	2.1
75.00764	1.9
78.95792	1.3
79.05405	1.1
81.03323	1.2
83.01250	2.2
83.04895	0.9
84.28259	0.5
85.02822	12.2
87.00751	7.2
89.02316	78.3
90.02649	1.4
93.03334	20.8
94.03669	1.3
95.01276	4.1
95.04898	5.5
96.95895	0.5
97.02850	1.6
97.06470	9.0
99.00754	12.1
99.04395	0.7
101.02322	100.0
102.02652	1.5
102.98448	0.5
105.06985	7.7
106.04096	0.7
107.04907	2.4
108.02023	0.7
109.02844	0.7
111.04409	2.2
113.02333	24.0
116.07069	0.8
119.03385	28.3
119.04860	1.6
121.02843	5.9
121.06461	3.2
123.04411	1.5
123.08044	62.9
124.08369	2.2
125.02298	1.7
125.05974	1.6
127.03908	1.1
131.03404	3.2
133.02811	0.7
134.03622	2.5
135.04425	8.4
137.02341	1.3
143.03429	4.2
145.02858	1.2
147.04416	3.1
147.08058	2.0
149.02362	4.9
149.04456	2.3
149.05974	2.3
151.03917	1.1
151.07524	0.7
152.99469	1.4
153.05437	1.1
155.03372	0.8
158.03625	0.7
158.95183	0.6
161.04486	2.7
163.03949	3.9
165.05292	0.6
167.07031	1.5
172.05232	0.6
173.04491	10.5
173.05911	1.0
175.03886	1.5
175.07599	4.0
176.07042	1.0
177.01810	1.1
177.05504	1.3
178.02596	2.1
179.03384	2.0
179.05557	3.8
181.03418	0.9
181.04980	15.8
182.05382	0.6
189.09039	0.9
191.03635	0.7
191.05522	11.9
191.07158	1.2
192.05833	1.6
193.08612	0.7
195.06593	5.2
203.07074	1.0
203.10716	11.5
204.11093	0.7
207.06496	1.6
207.49998	0.7
211.11076	0.5
217.12392	1.2
220.06090	2.8
223.05885	1.3
227.10764	3.1
235.09705	20.3
236.10033	1.2
245.11769	3.5
255.10304	3.7
256.03653	0.7
259.13318	0.7
273.11353	3.2
277.14343	2.3
287.12903	5.6
301.14227	0.7
305.10483	0.8
305.13904	12.5
306.14334	1.9
312.77689	0.5
324.02936	0.5
347.14981	0.9
352.07538	0.9
370.08804	0.6
371.44086	0.6
435.16241	1.0
435.21628	1.0
449.14514	8.8
450.14890	0.9
457.64612	1.0
467.06335	0.7
467.09271	0.7
467.15204	4.5
467.20023	1.7
467.24603	0.9
474.04898	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	0.4
60.34596	0.2
61.98705	0.3
62.96257	0.3
70.83480	0.3
70.83817	0.3
73.19389	0.1
78.95772	51.3
96.96835	6.1
109.06419	0.1
111.19283	0.1
146.69963	0.2
150.97896	1.8
152.99484	100.0
153.99815	1.2
171.00554	4.7
190.25102	0.2
191.05559	0.4
206.62793	0.1
211.13322	0.3
267.08368	0.2
285.03632	0.2
293.21359	0.2
311.22418	0.4
350.20703	0.1
465.22531	16.2
466.22940	2.0
483.89941	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2257
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01234	0.2
62.96269	0.2
65.39159	0.2
67.03959	0.2
70.52683	0.2
70.53024	0.5
74.85480	0.2
78.95774	53.4
92.52056	0.2
93.08813	0.2
95.85487	0.2
96.96838	6.7
132.89572	0.2
150.97908	1.7
152.99486	100.0
153.99837	1.4
171.00552	5.1
191.05635	0.3
241.87982	0.2
282.33636	0.2
293.21301	0.2
310.23096	0.2
420.25977	0.2
465.22522	14.5
466.22778	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02712	0.5
55.01757	3.2
57.03316	1.3
59.01250	78.0
69.44646	2.2
69.45082	2.2
71.01254	16.4
72.99204	0.6
73.02821	7.5
83.01266	3.9
84.03219	0.4
85.02814	9.4
85.99962	0.5
87.00771	1.4
88.14203	0.5
89.02326	1.9
95.01282	1.6
99.00771	2.4
101.02322	14.9
104.72985	0.5
111.00755	0.8
113.02347	6.1
128.37605	0.5
129.31738	0.5
159.02856	1.2
161.04474	1.7
169.93671	0.6
223.17101	0.6
243.19592	1.5
271.79953	0.5
315.53748	0.5
335.38098	0.5
394.91577	0.6
405.25064	3.3
447.26004	3.8
448.26813	0.7
465.27026	100.0
466.27353	12.6
477.13593	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.12
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	3.9
61.98701	100.0
66.31718	0.3
67.01755	0.8
68.99677	0.5
69.03320	0.5
71.01253	1.2
72.47339	0.3
75.00752	0.4
78.95777	2.1
85.02829	1.3
87.00759	1.4
89.02335	1.2
93.03327	5.5
93.03855	0.5
101.02323	1.2
111.04417	0.8
113.02351	0.6
119.03411	0.4
123.04388	0.3
127.03931	0.4
134.03590	0.4
143.03323	0.3
152.28049	0.3
155.03406	0.9
159.04408	0.4
173.04509	2.5
179.05429	0.3
187.07602	1.7
191.05536	23.3
213.09137	0.6
215.07025	0.4
231.10280	1.2
241.01189	0.7
257.08212	2.7
275.09244	1.7
321.81680	0.3
372.81537	0.4
424.94812	0.3
449.14514	3.8
467.09402	0.8
467.15668	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	465.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34416	1.3
58.00474	2.3
59.01249	100.0
60.01550	1.7
63.00127	1.1
64.21925	1.4
67.61006	1.2
68.99676	5.9
69.03312	3.4
69.29153	13.5
71.01250	31.7
72.99160	1.9
73.02814	1.7
85.02795	6.2
87.00729	2.6
89.02313	55.7
90.02634	1.5
95.00703	1.4
95.01236	6.9
96.90190	1.3
98.20564	2.3
101.01707	2.2
101.02319	30.3
111.30380	1.3
113.02319	13.9
119.03382	18.1
121.02806	1.3
123.04411	11.8
131.03314	3.3
132.70331	1.3
143.03346	3.0
148.95537	1.2
149.04454	4.1
155.03394	20.2
161.04413	5.4
179.05519	13.8
191.05554	3.6
197.97290	1.4
225.07591	5.4
302.97214	1.2
402.73367	1.4
465.22955	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	465.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	27.4
67.01762	11.8
68.99683	18.5
71.01254	3.4
71.50471	3.5
85.02827	4.6
93.17472	2.7
95.17401	2.6
101.02328	100.0
104.84643	2.7
123.04410	3.2
127.03907	50.2
135.04384	3.4
185.65685	3.2
191.05510	13.5
195.06485	8.1
243.08710	89.6
244.09064	3.8
256.21756	3.0
354.25992	3.4
405.13971	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	465.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
64.80264	0.2
69.41881	1.9
78.95775	58.8
96.96838	8.2
98.19773	0.4
99.17760	0.2
126.39330	0.2
146.94978	0.2
150.97920	1.9
152.99486	100.0
153.99805	1.2
158.72852	0.2
167.01010	0.2
171.00543	5.4
191.05606	0.3
195.13953	0.4
240.45839	0.2
293.21194	0.8
295.22736	1.0
296.23050	1.1
297.23434	1.4
349.14087	0.5
377.13831	1.7
447.21802	0.4
465.24905	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2256
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	1.3
61.98684	1.0
62.96271	0.5
69.27424	4.1
71.43726	0.4
71.87171	0.4
78.95778	72.2
85.28271	0.4
87.82822	0.4
95.96051	1.6
96.96838	10.9
122.98412	0.9
150.97929	2.1
152.99492	100.0
153.99854	1.2
156.06557	1.2
160.84129	0.5
161.02254	0.5
171.00563	5.2
178.06775	0.4
191.05525	1.0
210.05972	0.4
236.46791	0.4
244.32738	0.4
293.21207	0.7
305.18695	0.9
377.13760	1.0
456.14249	0.4
465.22232	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.177
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	22.8
61.98705	100.0
62.35147	1.2
67.01734	1.6
71.01242	4.1
71.51154	1.2
71.51514	1.4
78.95782	25.4
85.02821	4.7
85.61680	1.2
89.02294	1.2
91.96902	1.2
93.03346	4.8
96.96855	2.8
99.20181	1.2
101.02335	2.0
109.45529	1.3
130.08588	1.8
133.02846	1.5
135.04375	2.7
145.77757	1.3
152.99489	17.6
161.02344	3.5
161.04555	1.5
162.80910	1.3
173.04492	3.8
175.03784	1.4
176.03903	1.5
177.01781	1.5
179.03413	1.5
191.05537	16.1
445.33368	1.3
464.20535	7.1
465.18686	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	465.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34175	0.3
55.01760	0.7
57.03313	1.1
59.01253	9.5
63.34686	0.3
65.29489	0.4
67.01758	1.1
68.99680	0.3
69.03321	1.4
69.37934	0.4
69.38332	2.5
71.01257	12.3
72.99174	2.3
73.02823	4.9
75.00749	0.7
81.03335	0.7
83.01270	2.4
83.04893	0.8
85.02827	14.5
87.00746	5.5
89.02321	4.5
93.03339	9.6
94.03668	0.4
95.01254	0.6
97.02814	0.7
99.00788	2.0
99.04419	0.7
101.02331	9.1
109.02818	1.2
111.00758	0.8
111.04440	2.2
113.02338	3.9
115.03889	0.6
116.63741	0.3
119.03401	0.7
121.02854	0.5
123.00761	0.6
123.04403	0.5
125.02351	1.3
127.03886	1.8
129.01796	0.5
131.03400	1.3
135.04413	0.7
137.02325	0.9
137.09578	0.4
143.03387	0.5
146.03639	3.3
147.04372	0.7
149.02351	0.4
149.04453	1.5
153.01851	0.4
155.03426	0.6
155.10698	2.5
159.02965	0.6
159.04465	0.5
161.02368	0.6
161.04523	2.6
163.07568	0.5
168.34906	0.3
171.02959	0.5
172.05205	1.5
173.04497	5.3
173.05936	0.9
174.03146	1.5
174.04601	0.4
174.06775	0.7
174.08188	0.4
175.03889	0.6
175.07578	10.5
176.07930	0.7
187.07590	1.7
189.05580	0.6
190.06339	0.4
191.05548	100.0
192.05904	4.3
193.06032	0.7
199.04037	0.6
199.07803	0.4
199.09747	0.9
200.04744	2.6
201.09137	1.4
203.07095	3.1
203.10681	0.6
204.04308	0.4
207.05060	0.5
209.11830	1.0
210.12163	0.8
211.07643	0.9
211.12367	0.8
215.03456	1.6
215.07249	0.4
217.08762	0.8
219.05054	0.5
219.10208	0.8
227.07011	0.6
229.08691	8.5
230.08923	0.5
243.02895	0.5
244.03806	2.5
245.08124	0.7
247.04514	0.5
247.09711	2.1
249.06320	0.4
255.06595	2.6
273.07693	18.0
274.08099	1.3
291.08762	6.3
301.03439	0.5
328.57245	0.4
333.19171	11.8
334.19604	0.8
429.24301	0.3
465.14008	8.6
465.23389	17.3
466.14377	0.9
466.23846	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	463.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	0.9
59.01256	2.6
65.09232	0.5
70.41727	1.6
70.42065	0.5
71.01254	0.8
73.99807	0.5
78.95776	7.9
97.06467	0.6
98.20606	0.7
110.11321	0.5
110.98410	5.1
113.09621	2.2
151.79648	0.5
152.99460	1.9
167.01013	2.2
179.14301	1.3
185.02107	6.1
195.13829	17.2
196.14149	0.8
209.11902	0.7
233.22621	0.7
277.21716	14.6
278.22064	1.3
295.22775	100.0
296.23163	8.1
300.03223	0.5
321.42780	0.5
330.21667	0.5
454.11322	0.5
463.24615	17.4
464.25064	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	0.6
59.01246	2.0
62.05513	0.4
62.84646	0.3
69.65815	0.3
78.95776	7.0
93.38606	0.3
96.51438	0.3
98.19699	0.7
110.98415	5.7
112.73103	0.4
113.09588	2.4
152.99446	1.1
167.01108	2.1
177.12767	0.5
179.14316	1.2
181.12241	0.5
185.02104	5.7
195.13834	18.0
196.14227	0.7
233.22633	0.5
249.40012	0.4
277.21707	15.2
278.22009	1.2
295.22766	100.0
296.23126	8.7
387.53909	0.4
396.25015	0.4
463.24652	17.3
464.24637	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	463.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03304	0.5
58.78965	0.3
59.01243	2.7
59.61506	0.3
68.33319	0.3
69.03290	0.4
70.99442	0.8
71.01234	0.5
75.00738	1.2
78.95780	7.4
85.02843	0.4
86.17972	0.4
96.34979	0.4
99.08002	0.4
110.98421	5.8
113.09609	2.3
129.56319	0.3
150.25122	0.3
152.99496	1.9
167.01064	2.3
177.12776	0.6
179.14256	0.7
181.12207	0.4
185.00633	0.5
185.02151	4.8
191.05537	0.4
195.13840	16.2
196.14224	0.9
209.11807	0.9
241.14392	0.5
277.21719	14.3
278.22086	1.4
295.22772	100.0
296.23093	8.7
381.52759	0.3
463.24664	17.6
464.25031	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	464.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
58.32076	0.5
59.01250	13.5
61.67127	0.4
61.98701	100.0
68.99701	0.6
69.53799	0.9
69.54214	2.5
71.01250	5.6
72.99187	0.7
73.02827	0.8
75.00733	2.6
79.63383	0.4
85.02815	2.4
87.00774	0.7
89.02313	5.9
93.03333	0.9
95.01270	0.9
101.02338	3.7
107.51840	0.4
113.02342	1.3
119.03362	2.3
123.04435	1.2
127.03938	0.6
143.03387	0.6
149.04404	0.6
149.09668	0.9
155.03458	2.1
161.04518	1.0
163.35074	0.4
167.10725	1.5
179.05557	1.9
191.05542	9.2
225.07608	0.7
260.11957	0.5
273.07764	0.6
296.77826	0.5
404.15417	0.7
405.21341	0.8
465.14084	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49492	0.8
55.01759	1.2
57.03314	1.6
58.00456	3.3
59.01249	82.5
60.01589	0.9
61.98697	2.2
69.03316	1.8
69.61107	3.6
69.61513	1.8
71.01251	65.3
72.01595	1.0
72.43851	0.7
72.99174	5.0
73.02821	18.1
74.90813	0.7
75.00748	22.1
83.01264	3.9
85.02824	10.0
86.53827	0.8
87.00750	3.3
89.02315	100.0
95.01254	2.4
97.02837	1.9
99.00758	24.1
101.02322	44.6
102.02654	1.3
113.02331	16.0
115.03885	1.1
118.85094	0.9
119.03392	10.8
121.02840	1.5
125.02301	5.7
131.03395	25.2
137.02269	0.8
143.03386	3.1
148.01555	1.1
149.04462	64.8
150.04816	1.1
151.00285	1.7
161.04494	4.5
173.04469	1.3
178.99843	1.2
179.05551	6.1
190.02654	1.3
191.05537	21.5
209.11818	1.6
217.39474	1.0
221.06584	2.5
223.06192	0.9
233.06664	1.4
241.07100	1.1
243.02910	2.7
245.08188	1.1
251.07681	4.6
255.02884	4.6
271.02530	12.5
271.05701	1.6
272.02771	1.9
282.60608	0.8
300.02737	15.1
301.03467	11.4
331.17719	3.9
347.17249	1.2
365.31430	0.9
463.08646	13.1
463.21857	32.3
464.09079	2.1
464.22229	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	463.2188
Annotation	Rosiridoside B
Peak:m/z	Relative Intensity
55.01765	2.7
56.58868	0.5
57.03324	1.8
58.00460	1.4
59.01249	33.8
61.98703	0.7
66.77947	0.5
69.03322	2.2
71.01252	44.8
71.04921	0.5
71.08195	0.6
71.08537	1.0
72.01580	1.7
72.99176	3.0
73.02815	16.3
75.00747	2.0
78.30186	0.6
80.02541	1.0
81.03327	1.3
83.01254	7.0
83.04896	5.2
84.02048	1.5
85.02820	16.5
86.03133	0.6
87.00752	2.2
89.02316	28.9
93.03345	1.5
95.01255	2.3
97.02823	2.4
99.00757	12.6
101.02322	25.1
102.02642	0.9
113.02335	15.9
114.02715	0.6
115.03922	1.0
119.03381	3.4
125.02332	2.6
125.05968	0.7
129.01855	0.6
131.03412	4.0
138.01863	1.3
139.02194	0.7
143.03406	1.4
149.04457	11.1
151.00223	0.8
155.10651	0.7
159.02924	2.1
161.02411	0.5
161.04456	14.0
163.11172	4.3
165.12746	2.5
170.73987	0.5
179.05479	1.0
181.12212	0.6
191.05557	7.4
199.09647	0.5
209.11765	100.0
210.12103	6.3
221.06711	0.8
227.12822	16.4
233.06712	0.8
251.07625	1.2
253.09251	12.3
271.05988	1.2
293.08829	0.7
300.02670	1.3
301.03555	2.0
303.86261	0.7
331.17603	12.4
332.17957	0.7
463.08667	2.8
463.21594	41.2
464.21863	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	463.2103
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	1.3
59.36956	0.3
61.98703	0.5
71.01285	0.3
71.37437	0.5
75.00744	0.4
78.95774	55.8
83.05380	0.3
85.33721	0.3
93.03350	0.5
96.96844	7.3
111.00768	0.6
119.98923	0.3
123.22444	0.3
125.09537	0.3
135.04417	0.3
150.97919	1.6
152.99489	100.0
153.99786	1.5
156.55016	0.3
161.02359	0.5
171.00551	5.8
173.04451	0.4
181.12344	0.3
191.05486	0.7
209.11832	0.5
241.14445	0.8
256.03485	0.3
283.02228	0.3
285.03592	0.3
291.19724	0.4
295.21921	0.6
300.02722	0.4
301.03360	0.4
377.13763	0.6
463.10843	0.4
463.20914	6.7
464.21664	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	0.7
57.03308	0.6
58.00464	0.4
59.01250	8.4
65.00195	0.6
67.01746	0.3
67.51603	0.2
68.99693	0.3
69.03329	0.5
69.78165	0.9
71.01255	14.5
71.04893	0.2
72.99177	0.5
73.02821	5.1
75.00742	0.9
80.02544	0.9
81.03327	0.9
81.06902	0.2
83.01256	1.9
83.04902	4.2
84.02036	0.9
85.02826	7.1
86.03120	0.3
87.00751	1.6
89.02318	6.7
93.03333	1.2
95.01257	1.0
95.04888	0.6
97.02818	0.9
99.00758	2.2
101.02325	11.1
102.02654	0.2
107.01244	0.5
109.06490	0.3
111.00697	0.5
111.04438	0.2
113.02337	5.1
115.03889	0.4
119.03406	1.1
121.02829	0.5
122.03709	0.2
122.27750	0.2
125.02336	1.2
125.05987	0.5
127.03901	0.4
131.03387	1.1
133.02872	0.7
135.04390	0.4
135.08063	0.4
136.98737	0.4
137.02274	0.4
138.02980	0.2
139.00256	0.2
143.03386	0.9
147.04436	0.4
149.02351	0.8
149.04453	1.5
151.00249	1.7
155.03432	0.3
159.02884	0.6
159.04399	0.4
161.02312	0.6
161.04471	7.2
161.05856	0.4
163.11205	3.1
165.01852	0.8
165.12758	2.0
168.02893	0.4
171.02853	0.2
173.04453	1.2
173.05971	0.8
174.10869	0.2
175.00307	0.2
177.01804	0.2
179.03314	0.3
179.05525	0.6
181.12239	0.6
187.03952	0.4
188.04674	0.3
191.05545	13.7
191.10719	0.9
192.05917	0.4
199.07555	0.3
199.13257	0.2
201.01846	0.2
201.05475	0.2
205.03429	0.3
207.19499	0.2
209.11772	100.0
210.12128	5.2
211.04065	0.3
212.17143	0.2
215.03456	0.3
215.07047	0.3
216.04030	0.3
217.08650	2.3
227.03592	0.5
227.12843	17.7
228.04225	0.3
228.13271	1.0
229.05032	0.5
233.06622	0.5
235.08177	0.3
242.02234	0.3
243.02840	0.4
243.06677	0.4
245.08191	0.6
246.05038	0.2
253.09262	13.6
254.09584	0.8
255.02971	0.7
256.03659	0.9
257.04489	0.9
271.02548	0.8
271.06104	2.8
272.02933	0.7
272.06274	0.5
273.03940	0.3
283.02567	0.6
289.07254	0.5
293.08777	0.3
299.02197	0.4
300.02731	5.5
301.03516	12.1
302.03912	1.2
331.17627	7.4
332.17783	0.4
419.09747	0.6
463.08429	10.0
463.21881	22.2
464.08524	1.4
464.22067	2.2
464.27768	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2101
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	2.5
59.85505	0.4
61.98721	0.6
69.26532	0.5
69.26868	4.1
71.01263	1.4
73.02802	0.5
75.00742	1.2
78.95777	62.6
83.10272	0.4
84.68251	0.3
84.88441	0.4
85.02811	0.6
87.00742	1.0
89.02339	0.6
92.09549	0.4
93.03345	1.4
96.96841	6.2
98.19846	0.8
99.00704	0.4
101.02331	0.9
107.01236	1.1
125.02372	0.4
133.02826	2.4
135.04419	1.3
150.96803	0.4
150.97876	2.3
151.00262	2.1
151.03940	0.4
152.99492	100.0
153.99817	2.0
171.00537	4.9
173.04500	0.7
175.03929	0.9
179.03281	0.5
191.05591	4.4
197.11786	0.4
199.04068	0.5
201.01900	0.4
209.11790	1.8
227.03490	0.8
227.12790	0.6
229.08607	0.6
241.14339	0.8
255.02968	7.1
256.03720	7.5
283.02484	10.0
284.03275	16.3
285.04028	16.3
286.04419	1.9
309.03885	0.5
327.04843	0.4
416.43094	0.5
445.09192	0.9
463.11063	2.6
463.20941	12.6
463.27005	0.8
464.21368	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	463.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89883	0.9
54.37724	1.0
58.00467	1.9
59.01253	100.0
60.01573	1.0
61.98689	1.6
67.01762	3.6
68.99691	6.1
69.03323	3.5
71.01257	23.6
71.21597	1.6
72.99189	2.5
83.01285	1.0
85.02824	4.1
87.00787	1.3
89.02323	33.5
95.01276	1.1
95.04909	24.9
99.00737	1.5
101.02325	27.7
101.71103	1.0
107.41165	0.9
110.21206	0.9
111.00755	4.2
113.02331	9.4
117.36966	1.0
119.03392	13.1
121.02846	5.7
123.04379	1.9
127.03902	14.0
128.04234	1.2
131.03381	1.3
137.05948	1.4
139.00275	11.6
139.03918	7.6
143.03378	1.9
149.04507	1.5
152.04684	1.0
161.04431	3.1
165.05470	3.9
179.05565	8.2
191.05573	3.0
197.08131	7.3
223.06131	5.6
241.07169	22.3
242.07468	1.5
307.11023	1.1
359.13464	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	463.146
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	0.7
58.00452	0.7
59.01248	17.5
61.98694	2.6
68.99696	2.5
69.38434	0.8
69.38763	5.2
71.01255	5.6
72.99177	3.5
73.02841	1.5
75.00745	100.0
76.01086	1.5
83.01273	0.7
83.04883	1.2
85.02819	3.3
87.00746	1.5
89.02304	6.1
95.04929	1.5
99.00765	1.1
101.02316	8.0
109.02834	1.1
113.02341	2.2
115.03870	0.9
119.03383	2.0
121.02859	1.6
123.04395	1.9
127.03839	1.7
136.01584	1.5
137.02330	0.8
137.05968	1.0
139.03903	0.9
143.03355	1.0
149.02362	1.9
150.03127	1.9
151.03883	2.1
153.01935	3.2
153.05510	0.8
159.45451	0.6
161.04478	1.2
163.03940	1.6
165.05472	2.4
167.03407	2.7
173.04425	0.8
179.03311	0.7
179.05473	1.1
181.04889	0.9
181.68250	0.7
190.06134	0.7
191.05524	4.0
193.08644	1.5
195.06671	1.2
196.03708	4.1
197.04510	3.8
209.11761	20.6
210.12134	1.2
211.06047	5.5
212.06837	4.4
223.06073	1.1
227.09224	4.0
227.12924	2.8
241.07184	2.5
253.09293	2.7
371.15302	0.8
375.55594	0.7
415.14502	1.3
448.15594	2.1
463.16846	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84428	0.4
61.03930	0.5
65.00191	1.8
65.11391	0.5
71.38285	1.0
78.95755	1.1
83.01270	1.1
95.99291	0.5
107.01266	3.7
125.02354	0.9
132.02069	0.7
132.84412	0.5
133.02846	11.5
139.67685	0.5
146.98586	0.6
149.02367	2.8
151.00275	7.9
152.99492	1.3
163.39046	0.5
171.04414	0.8
175.03911	3.2
183.04362	1.0
185.05858	0.6
188.79060	0.6
198.03131	0.6
199.03955	3.1
201.01849	1.2
217.04973	1.9
227.03395	2.5
241.05014	1.1
243.02887	1.4
255.02966	35.5
256.00937	1.3
256.03708	27.0
257.04184	2.2
274.19879	0.5
283.02481	53.0
284.03238	77.6
285.04016	100.0
286.04398	7.9
294.76758	0.6
326.04294	0.8
327.05334	0.8
433.09384	1.2
445.09232	2.6
463.10406	16.4
464.10614	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	463.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16509	0.6
57.44308	0.5
57.90036	0.5
59.01259	1.7
65.00205	1.5
70.37726	2.3
75.00314	0.6
78.95776	59.1
82.18085	0.5
82.37330	0.5
83.01271	1.3
93.03328	0.7
93.61411	0.6
96.95905	0.6
96.96843	6.1
101.29156	0.6
107.01274	3.0
125.02348	0.7
132.02054	1.1
133.02850	10.2
135.04419	1.0
146.03616	0.7
149.02310	2.0
150.97881	1.0
151.00261	7.6
152.99492	100.0
153.99857	0.9
171.00563	4.8
175.03941	3.5
183.04404	1.6
186.89128	0.6
187.03760	0.8
189.74370	0.6
191.05518	2.3
198.03111	0.7
199.03859	2.8
201.01820	0.8
209.11612	0.6
217.05127	1.4
227.03450	2.8
228.04094	0.8
241.04889	1.0
243.02998	0.8
255.02962	43.9
256.03723	34.6
257.04196	2.8
267.02911	0.8
283.02472	62.0
284.03244	91.2
285.04010	84.6
286.04385	7.4
326.04166	0.7
433.09186	4.0
434.09610	0.8
445.09418	4.7
463.10687	10.2
463.20987	16.0
464.10760	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	463.0884
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
55.01746	1.2
57.03297	0.7
58.00462	1.5
59.01249	28.9
62.47057	0.5
63.02254	0.6
65.00197	2.8
69.03340	0.9
71.01250	25.7
72.99162	2.2
73.02816	7.6
73.07719	0.5
75.00746	5.3
83.01251	3.0
85.02354	0.6
85.02823	6.3
87.00732	1.7
89.02316	29.2
93.03315	1.8
95.01261	2.1
97.02831	1.1
99.00745	9.8
101.02320	16.7
102.83205	0.5
107.01266	4.9
108.02090	1.3
109.02817	2.2
111.00745	0.9
113.02329	7.0
115.03874	0.8
119.03397	5.0
119.04852	0.6
121.02808	2.3
124.01553	1.0
125.02312	3.8
128.02716	0.6
131.03395	4.6
133.02858	1.5
135.00792	1.3
135.04457	0.6
136.98695	1.6
137.02275	1.3
139.00266	1.2
143.03329	1.4
148.01550	1.8
149.02484	2.7
149.04460	16.1
150.99139	1.0
151.00262	14.9
152.00696	0.7
152.60117	0.6
155.10660	1.2
159.04378	0.7
161.02330	0.9
161.04485	4.7
163.00247	2.4
163.03845	1.1
164.00986	1.2
165.01872	3.9
169.01344	0.7
173.04445	0.7
173.05922	0.6
174.03064	0.8
175.00262	0.6
175.03940	0.8
177.01797	0.7
178.99805	4.5
179.05515	2.6
183.04465	1.7
187.03793	0.9
188.04640	0.7
191.05542	8.3
192.00522	1.1
193.01227	0.9
199.03870	1.5
201.01787	1.0
201.05470	1.1
209.11719	2.6
211.03918	1.3
213.01834	0.6
215.03406	2.1
216.04143	1.6
221.06709	0.6
226.02628	1.4
227.03465	4.6
227.12918	0.8
228.04118	1.2
229.05023	1.2
233.06631	1.3
243.02948	11.1
244.03413	1.2
245.04491	1.0
251.07713	1.2
254.02142	2.0
255.02963	25.0
256.03659	5.2
257.04553	2.7
271.02457	52.1
272.02921	7.4
273.03961	2.0
283.02307	3.0
284.02997	0.6
285.03812	0.8
293.08798	1.1
298.09274	0.6
299.01938	2.5
300.02719	95.1
301.03479	88.1
302.03836	6.7
331.17596	4.6
343.04761	1.5
347.17184	1.5
419.09601	0.8
421.27847	1.2
463.08795	100.0
463.21777	28.7
464.09042	11.2
464.22009	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	463.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	15.9
61.98687	5.6
65.00203	4.2
71.01256	8.8
74.01929	1.9
74.02341	34.9
75.00734	2.9
78.95780	25.9
83.01247	2.3
83.04865	2.1
85.02840	9.5
87.00745	2.9
89.02325	3.9
93.03335	7.3
96.96852	2.8
97.02853	1.6
101.02328	4.6
107.01254	4.0
110.43938	1.5
113.02334	1.9
113.53453	1.7
116.16978	2.0
121.02848	2.0
125.02325	2.1
125.72426	1.6
133.02823	2.1
135.04466	2.6
135.98273	2.4
137.02353	2.9
147.04451	1.6
149.02379	1.5
151.00285	11.7
152.99474	18.9
161.02341	2.0
169.53966	1.8
173.04420	6.6
191.05542	39.5
209.11734	4.5
241.14545	2.4
256.03778	4.2
262.06219	2.0
266.05627	2.2
270.05307	2.8
271.06030	1.7
277.05157	2.5
278.05875	1.7
279.06448	2.8
283.02386	2.1
284.03165	4.3
285.04013	8.4
297.04095	7.6
298.04773	5.3
301.03427	2.1
303.06662	1.7
345.07669	3.1
351.60349	1.7
357.07623	7.0
361.07108	5.7
371.05310	2.6
373.07199	8.5
374.07889	20.9
385.07220	16.2
386.07516	2.9
389.06647	2.0
390.07373	2.4
400.06332	1.9
401.06589	11.1
402.07361	21.1
413.06808	10.8
414.07428	47.8
415.08060	17.0
417.06070	4.7
418.06891	42.5
419.07239	7.0
429.05930	5.7
430.06940	28.9
431.07339	2.9
433.09268	73.9
434.09570	8.0
445.09259	100.0
446.09726	12.2
462.27072	26.9
463.10413	35.4
463.21085	4.1
463.27310	24.4
464.10736	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	463.0885
Annotation	Spiraeoside
Peak:m/z	Relative Intensity
54.02792	0.8
54.25766	0.8
54.43279	0.8
55.19121	0.9
57.03342	1.1
59.01254	5.8
63.02270	1.1
65.00194	3.4
65.56928	0.9
69.36411	6.8
71.01270	4.1
71.79796	0.8
73.02822	1.5
83.01264	3.9
83.04891	1.0
85.02848	2.5
89.02331	2.6
89.83559	1.0
93.03345	4.0
101.02328	2.7
104.05985	1.0
107.01286	5.3
109.02856	1.8
111.00752	4.8
113.02329	2.1
117.03381	2.0
117.99899	0.9
121.02827	2.5
123.00777	1.0
125.02338	4.5
133.02849	1.9
135.04338	1.5
136.98729	1.4
137.02338	1.5
139.00272	12.0
141.01840	1.1
149.02368	8.6
149.04382	1.6
151.00288	17.7
152.00916	1.8
153.01826	6.5
161.02348	1.0
161.04610	1.7
163.00281	1.6
165.01822	2.4
166.99666	1.1
169.01370	1.1
173.04509	1.2
174.81898	1.0
175.00311	1.8
177.01810	1.7
178.99762	4.9
181.01337	5.0
187.04027	1.2
188.29210	0.9
191.03740	1.2
191.05513	6.2
192.00578	2.9
193.01382	4.8
201.02191	0.9
203.03470	0.9
206.99335	1.8
208.00081	4.1
209.11815	10.0
211.03996	1.3
213.05576	1.0
215.03374	3.1
216.04134	1.4
227.03441	2.9
227.12825	2.1
231.02945	1.7
233.04422	1.2
239.03392	1.6
243.03029	1.2
245.04510	1.2
255.03014	5.5
256.03708	1.9
257.04474	4.4
268.03824	2.7
269.04282	1.2
271.02448	3.5
271.05951	1.0
272.03094	5.3
273.04068	6.6
283.02448	6.4
285.03912	1.2
297.04019	1.1
299.02023	1.2
300.02747	37.6
301.03497	100.0
302.03864	8.0
313.05746	1.5
341.05237	1.7
343.06573	4.2
355.06604	2.2
370.05185	1.1
419.09894	1.4
445.07718	1.6
463.08804	92.9
463.21780	3.5
464.09094	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	462.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02838	18.1
59.01250	100.0
68.01283	19.7
69.03324	27.0
69.54169	49.2
71.01253	81.1
72.99180	14.6
73.02824	15.0
75.00734	25.5
81.03322	7.3
83.01268	7.7
83.04893	8.8
85.02807	21.3
87.00750	23.0
88.98676	34.8
89.02316	55.8
92.42711	6.4
93.03326	17.0
95.01253	6.4
95.04898	29.6
97.02820	28.9
97.06419	8.9
98.02367	15.8
98.20602	11.2
99.00742	13.1
101.02324	85.6
103.00210	6.8
107.04907	18.4
109.02843	37.4
111.04372	16.2
113.02319	25.9
119.03387	23.8
119.04896	9.6
120.04426	6.1
121.02831	21.4
121.06470	8.7
123.04411	49.5
125.05953	19.4
127.03883	24.6
135.04410	26.0
136.03922	13.6
137.02332	23.2
137.05927	12.9
139.00269	9.7
139.03883	20.9
140.03407	25.0
142.01381	8.1
143.07547	6.8
147.04431	15.5
148.03934	7.7
149.02307	7.7
149.05989	18.6
151.03937	12.5
161.05914	11.3
162.05511	9.0
163.03888	12.4
164.07066	15.9
164.48529	7.2
165.05508	12.7
167.06940	9.4
176.07050	13.3
179.05515	15.3
181.05055	8.6
183.06595	7.6
192.06613	8.8
193.05006	16.3
194.04568	10.0
220.06096	15.8
236.05669	10.5
238.07182	31.7
241.07072	32.7
243.05055	15.6
282.06567	13.7
282.09824	28.0
284.07965	6.6
435.11200	9.9
444.11383	11.7
448.14526	7.7
462.11896	22.4
462.15991	84.0
463.16489	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	461.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21824	0.3
57.03325	3.7
59.01258	2.8
67.92647	0.4
70.83354	0.6
70.83704	0.7
78.95773	6.2
80.93551	0.3
85.06422	0.4
88.77292	0.4
96.95872	0.7
97.06405	0.5
108.56921	0.4
109.06445	1.0
110.98421	4.1
113.09606	16.6
113.38973	0.3
114.09936	0.8
135.11656	0.6
139.11195	1.7
149.09639	0.4
152.99477	1.7
167.01038	1.8
167.10728	2.4
177.12720	0.8
179.10707	1.9
183.13792	0.7
185.02104	5.8
195.13824	2.1
195.17557	0.4
207.10263	0.4
210.22742	0.3
212.92653	0.3
249.22264	1.8
255.03065	0.6
269.41251	0.4
275.20032	1.1
283.02261	0.5
284.03195	0.9
293.21204	100.0
294.21536	9.4
299.05557	0.7
316.88089	0.4
461.10959	0.8
461.23099	12.7
462.23291	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	461.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11378	0.5
52.55068	0.6
53.80304	0.5
54.64272	0.7
56.96271	0.6
57.03312	1.2
58.02837	1.4
59.01251	30.7
61.98706	3.1
68.99685	1.3
69.03320	1.6
71.01255	8.1
71.51223	0.6
72.99186	3.5
73.02814	1.9
74.02343	0.7
75.00746	100.0
76.01093	1.0
81.03338	0.6
85.02830	2.5
87.00748	1.9
89.02325	6.3
90.98477	1.4
93.03349	1.2
97.02801	1.1
99.00749	1.0
101.02319	7.0
102.01846	2.1
102.98455	1.1
103.00265	1.1
103.03896	3.0
105.01819	0.9
111.00768	0.9
113.02320	3.7
119.03391	2.1
120.01694	0.6
120.67905	0.5
121.02840	1.6
121.06497	1.0
125.02309	1.1
135.04448	0.7
137.02330	0.7
149.04471	0.8
153.05490	0.9
161.04523	1.5
161.09695	0.6
165.01918	0.6
167.06993	1.1
170.53934	0.5
172.74188	0.7
179.05573	1.2
179.10619	0.9
191.05608	2.6
193.12245	0.7
197.02794	1.3
203.10759	2.2
206.09476	0.8
207.10152	0.9
210.03522	0.6
221.08287	1.2
221.11789	10.5
225.11302	0.9
242.02374	0.7
243.03036	0.8
263.02667	0.9
270.01727	0.6
271.02499	1.4
299.01901	1.7
299.05579	1.0
364.13144	0.6
461.06790	1.2
461.12469	1.6
461.20419	2.7
462.07361	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93531	0.3
51.13620	0.3
55.01753	3.9
57.03324	6.6
58.00466	0.9
58.20902	0.3
59.00957	0.8
59.01251	14.8
59.87115	0.3
67.01762	0.6
68.99685	1.0
69.03323	5.2
71.01254	19.2
71.07086	0.8
72.01578	0.4
72.99181	43.4
73.02818	8.8
73.99496	0.4
75.00737	1.3
81.03324	1.3
83.01259	7.3
83.04448	0.3
83.04900	1.5
84.02045	0.6
85.02824	23.6
85.99969	1.6
87.00748	7.1
87.04401	0.5
89.02304	2.9
93.03342	1.7
95.01261	2.4
95.04920	0.7
96.51579	0.3
97.02819	3.1
97.06447	0.6
99.00761	4.4
99.04412	0.6
101.02325	16.7
107.04891	0.5
108.02039	1.9
109.02855	0.9
109.06473	2.8
110.03626	0.5
111.00760	3.4
111.04401	1.0
112.01543	0.5
113.02328	16.6
115.03936	0.5
119.03408	0.6
121.02802	0.4
121.06489	0.3
123.04418	2.2
125.02326	2.2
125.05962	1.2
127.00312	0.4
129.01833	1.1
129.89555	0.4
131.03352	1.0
135.04390	0.6
137.02327	0.7
141.01808	0.5
141.05502	0.4
141.32103	0.3
143.03369	0.9
143.82228	0.4
153.05429	0.4
155.10663	2.6
157.02716	0.3
159.02913	0.8
161.02280	0.5
161.04459	1.3
163.11191	1.9
173.04446	0.9
176.54088	0.3
181.12326	0.6
185.11748	7.2
189.09169	0.4
191.05537	2.4
199.09703	1.6
207.10196	10.7
208.10596	0.7
225.11287	6.3
241.10751	0.7
242.02068	0.4
253.09157	1.7
255.02982	5.2
256.03409	0.8
270.01706	0.4
271.02438	0.8
283.02417	2.6
284.03226	6.0
285.03769	1.0
298.04758	0.9
299.02124	0.8
299.05521	5.3
303.18228	0.9
329.15985	3.3
347.17108	16.9
348.17459	1.4
389.18076	2.0
403.16165	2.4
443.19202	1.4
446.08676	0.7
461.20279	100.0
462.11279	0.7
462.13538	0.5
462.20645	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	461.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	2.2
56.07547	0.2
57.03323	2.7
58.00467	0.5
59.01250	20.9
59.16099	0.2
65.00194	0.2
67.01759	0.4
68.99683	2.1
69.03328	3.4
69.80728	1.2
70.22667	0.2
71.01253	27.1
72.01563	0.3
72.97439	0.3
72.99181	2.2
73.02814	7.1
75.00751	0.8
76.20211	0.3
81.03335	1.1
83.01257	15.4
83.04887	0.3
84.01606	0.3
85.02824	12.8
85.99966	1.2
87.00748	4.1
87.04388	0.3
89.02314	3.9
93.03342	0.8
95.01262	1.8
97.02836	3.0
98.20445	0.4
99.00758	3.5
99.04394	0.4
100.72768	0.2
101.02322	11.3
107.01247	0.4
108.02060	0.6
109.02832	1.5
109.06495	0.5
111.00745	1.1
111.04417	0.4
112.01573	0.4
113.02329	9.6
115.03861	0.6
119.03372	0.6
120.99573	0.3
121.02881	1.1
121.06441	0.3
123.04379	0.5
124.01521	0.6
125.02332	1.9
127.03925	0.4
129.01849	0.6
129.43909	0.2
131.03401	2.1
133.02805	0.5
137.02370	0.3
138.01888	2.3
139.03859	0.5
141.01849	0.6
141.22083	0.2
143.03380	0.8
145.02863	0.5
146.83035	0.2
149.02371	0.3
151.00276	0.6
152.01074	0.4
153.01802	0.3
159.02975	0.4
161.04465	1.1
164.04671	0.8
165.05521	0.3
169.04973	0.5
173.04500	0.3
179.05563	0.3
179.07033	1.2
185.11760	3.0
191.05554	0.6
199.13354	0.6
207.10161	1.2
208.06169	0.3
211.04199	0.5
215.05511	0.5
225.11261	1.0
227.03555	0.3
227.12918	0.3
242.02113	0.4
243.02991	0.4
255.02963	0.7
256.03732	0.6
270.01651	0.5
271.02426	0.7
281.08389	0.3
281.17508	0.3
283.02591	0.5
284.03268	8.0
285.03885	1.5
285.17062	0.4
296.74860	0.2
299.02216	0.7
299.05560	8.0
300.05917	0.9
303.18109	1.6
329.16028	1.6
341.12491	0.4
347.13239	0.4
347.17136	4.1
348.17404	0.4
370.11359	0.7
401.18237	0.3
417.21225	0.3
443.19022	0.3
446.08917	0.3
446.15558	0.5
461.11517	6.5
461.20233	100.0
462.11371	1.4
462.20624	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	461.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01234	0.2
63.02271	0.2
64.99943	0.1
65.00224	0.2
67.20193	0.1
69.22202	0.9
69.22619	0.3
89.02469	0.1
95.67968	0.1
98.19765	0.2
107.01305	0.3
117.03354	0.1
132.02075	0.2
148.87363	0.1
149.02299	0.2
151.00270	0.5
176.06604	0.1
181.26489	0.1
183.04387	0.3
199.03911	0.1
207.10211	0.1
211.03848	0.2
225.11337	0.2
227.03453	0.5
253.09303	0.1
255.02963	69.8
256.03351	5.9
268.03857	0.8
269.04538	3.2
270.04828	0.3
271.02380	0.3
274.85840	0.1
281.04651	0.6
283.02463	41.0
284.03119	9.1
285.03970	2.0
295.02444	0.2
297.04041	9.4
298.04785	11.1
299.05539	8.0
300.05997	0.6
313.03537	2.9
314.03979	0.3
326.04327	0.2
327.05197	0.2
341.06812	0.3
446.08530	12.8
447.08807	1.7
461.10883	100.0
462.11252	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	461.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	1.9
57.03299	2.3
59.00966	2.0
59.01254	29.2
60.99522	1.7
61.38323	1.6
68.00384	1.6
69.43246	1.6
69.58775	11.7
71.01254	43.7
72.99166	1.7
73.02823	14.5
83.01263	5.1
85.02824	23.6
87.00767	2.0
89.02326	4.7
95.01252	3.9
98.20486	2.6
99.00761	8.1
101.02328	39.3
113.02336	20.1
125.02378	2.7
131.27197	1.9
143.03450	1.9
146.27666	1.6
159.02879	4.8
161.04475	29.3
208.71501	1.6
237.52980	1.6
269.10284	100.0
270.10675	5.6
330.62250	1.9
332.06854	1.6
401.14487	51.6
402.14920	7.8
414.96979	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	460.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	3.7
58.00465	2.3
59.01252	83.0
60.01596	2.0
67.01775	11.6
67.02079	1.7
68.01288	6.4
68.09927	1.9
68.99677	13.3
69.03314	9.0
69.43723	4.7
69.44141	9.6
71.01254	50.2
72.99180	18.3
73.02812	2.8
75.00733	5.1
82.02853	11.6
82.35137	2.0
83.01241	2.2
85.02823	24.2
87.00746	6.9
89.01757	3.1
89.02314	55.6
90.83601	1.7
93.03326	6.8
94.03683	2.3
95.01260	8.0
95.04906	45.6
97.02821	2.0
98.02340	5.9
99.00719	2.3
101.02321	49.4
101.44951	1.6
105.03333	2.4
106.03732	2.3
107.04915	5.6
111.00813	4.2
111.04414	2.5
113.02328	16.0
117.01837	1.9
118.02858	2.7
119.03389	23.2
121.02827	7.8
123.04457	9.5
126.05515	24.4
127.03909	23.6
131.03392	2.5
132.08124	3.0
133.02827	3.1
134.02382	34.3
134.06009	13.4
135.04410	6.9
139.00273	15.4
139.03944	4.6
140.03423	23.6
143.03387	3.5
144.04494	3.1
149.02377	2.0
149.05977	3.3
151.03951	4.3
152.07008	3.6
153.05458	17.3
154.05833	10.6
155.03448	17.1
158.05960	3.6
160.03920	9.0
160.07576	6.3
161.04472	4.5
162.05492	3.4
164.03394	5.4
165.05458	5.2
166.04968	6.7
167.03381	4.0
174.05368	2.4
176.07033	3.9
177.05444	6.6
178.01309	4.2
178.05003	20.3
179.05438	6.8
181.05051	2.4
192.02968	21.4
192.06554	4.2
195.18404	1.9
204.06581	47.0
206.04524	6.8
209.04378	2.4
210.04694	3.5
220.06039	3.3
236.05595	7.2
236.09233	4.7
238.07086	8.2
248.05608	33.8
280.08267	100.0
281.08572	8.0
428.12000	28.2
429.12555	2.3
460.15121	36.9
461.15698	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	459.2903
Annotation	Menatetrenone Epoxide
Peak:m/z	Relative Intensity
53.99832	1.3
67.07541	1.7
70.17442	5.7
78.95773	1.7
96.98399	1.5
107.04911	27.0
152.99527	3.1
163.11191	100.0
164.11536	4.9
277.00980	1.2
277.21768	2.4
283.16992	24.8
295.17059	14.7
342.31839	1.4
459.29044	93.2
460.29318	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	459.26
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50597	0.1
55.01756	0.6
57.03324	0.5
58.00457	0.4
59.01249	100.0
60.01583	1.2
66.45312	0.1
67.01740	0.2
67.65727	0.1
69.03328	0.3
71.01251	8.4
71.04881	0.2
72.99194	0.3
73.02818	2.7
83.01255	1.4
85.02817	2.8
85.03295	0.2
87.00771	0.4
87.04401	1.1
89.02318	3.5
95.01261	0.9
97.02817	0.3
99.00757	0.9
101.02324	6.4
101.05960	2.2
111.00772	0.3
113.02320	4.0
113.03065	0.2
119.03397	1.1
125.02343	0.5
131.03398	0.3
143.03384	0.7
159.02969	0.3
160.03564	0.2
161.04459	2.7
165.12752	0.1
168.92920	0.2
179.05539	0.8
185.15366	0.2
191.05624	0.7
255.19655	0.7
297.20709	0.9
381.22922	0.3
399.23816	4.1
400.24405	0.6
417.24918	6.0
418.25082	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17521	0.6
55.37717	0.6
59.01247	8.5
61.05447	0.6
67.01762	5.1
68.99680	7.1
69.03326	31.9
70.90424	1.4
71.01254	7.0
72.99181	1.1
81.03384	0.9
85.02820	1.3
89.02318	4.2
93.03332	1.9
95.04912	2.9
99.04391	4.0
101.02322	17.5
103.01404	0.6
105.03329	2.0
107.04890	3.3
108.02053	3.6
109.02830	1.1
113.02333	1.1
119.03378	1.3
121.02798	1.7
123.03547	1.3
123.04412	19.4
127.03875	2.5
133.02831	1.7
145.86325	0.8
149.02309	1.3
151.03912	33.5
152.04248	1.3
153.05479	1.1
165.05507	1.6
183.06551	35.5
184.06831	1.3
195.06516	1.1
203.07146	1.0
209.04474	0.8
221.08180	5.4
227.05559	30.2
228.05898	1.6
265.07156	2.0
297.09680	1.1
383.13544	0.8
459.15067	100.0
460.15454	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	459.2603
Annotation	Cosmosporaside B
Peak:m/z	Relative Intensity
54.81180	0.3
55.01751	0.6
56.14513	0.2
57.03326	1.0
58.00469	0.4
59.01252	100.0
60.01604	1.1
69.03329	0.5
69.30223	0.8
69.30656	1.2
71.01257	13.3
72.99182	0.5
73.02819	5.1
78.94109	0.2
78.95754	0.3
83.01273	2.0
85.02827	5.8
85.03297	0.5
87.00758	1.4
87.04396	1.3
89.02321	4.7
93.03345	1.2
94.70724	0.2
95.01260	1.1
95.13351	0.2
97.02850	0.6
99.00748	1.8
101.02327	9.1
111.00763	1.3
113.02340	5.8
119.03392	1.3
122.03673	0.3
125.02374	0.8
135.04529	0.4
143.03436	0.9
159.02882	0.7
161.04482	3.6
169.12309	0.4
173.04518	1.0
175.66765	0.2
179.05675	0.3
183.78307	0.2
191.05545	1.9
192.06047	0.2
213.09166	0.2
239.16534	0.5
255.19740	0.8
260.49146	0.3
271.34567	0.2
279.24014	0.3
297.20706	0.4
329.19830	1.1
381.22919	0.6
399.23862	11.4
400.24332	1.4
417.24942	10.7
418.25443	1.3
459.12787	0.3
459.26013	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04901	3.6
59.01249	89.4
60.96537	3.3
68.99712	5.4
69.03328	13.9
69.25808	28.7
69.26234	5.8
70.02840	12.2
71.01254	55.9
73.02802	3.7
75.00732	4.2
85.02821	15.7
86.02345	13.3
87.00736	4.9
89.02313	56.9
93.03338	4.3
94.02867	8.6
101.02320	41.6
112.03903	22.2
113.02320	19.0
115.91943	15.0
116.91976	6.3
119.03407	23.5
122.02363	100.0
131.04941	6.9
137.04201	11.7
143.03427	4.6
156.02927	14.8
161.04390	5.4
165.03688	39.1
172.07582	6.7
173.04504	6.5
174.05420	6.0
179.05484	5.1
182.02721	28.0
191.01750	5.5
191.05513	18.4
200.07120	27.7
226.01697	11.4
234.05872	80.3
252.92569	3.7
278.04965	8.9
278.07611	7.6
296.06003	14.0
414.12476	6.0
458.11075	52.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	1.9
62.95672	0.8
66.99366	0.8
71.01248	1.1
71.49970	1.8
73.02821	48.8
74.03156	1.2
78.95765	2.3
89.02308	1.3
96.96829	1.9
99.00198	1.2
99.00744	7.5
116.92748	3.2
117.01826	100.0
118.02171	1.9
150.83139	0.9
153.92314	1.1
191.05502	2.1
454.69742	1.1
459.14294	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	0.5
55.17893	0.5
58.00456	0.5
59.01249	16.8
67.01758	8.7
68.99683	13.4
69.03323	50.9
69.18724	5.3
70.03654	1.0
71.01253	13.1
72.99181	1.9
73.02825	0.7
79.05386	0.5
81.03320	1.4
83.01260	1.2
85.02820	2.2
87.00771	0.6
89.02310	6.0
90.29768	0.5
93.03323	3.4
95.01244	0.9
95.04897	4.8
97.02829	1.2
98.19825	0.8
99.00714	0.6
99.04406	6.4
101.02319	25.3
105.03325	4.4
107.04898	5.3
108.02047	5.0
109.02829	1.8
111.00729	0.4
113.02308	2.9
118.46977	0.5
119.03362	2.5
121.02823	4.6
122.03624	0.6
123.04402	27.2
123.74830	0.6
124.04755	1.3
127.03893	3.5
133.02831	2.6
133.06416	0.8
135.04419	1.0
137.05952	0.5
149.02328	2.0
151.03909	45.2
152.04262	1.5
153.05492	2.3
159.04315	0.6
165.05502	1.6
169.05013	0.6
173.04384	0.7
173.05980	1.3
175.07468	0.5
183.06554	39.4
183.53577	0.5
184.06892	1.5
195.02969	0.5
195.06517	1.3
203.07127	0.5
209.04495	1.7
209.84233	0.5
221.08109	4.8
227.05577	30.8
228.05945	1.5
265.07202	1.9
279.08652	0.8
297.09937	0.9
459.15060	100.0
460.15353	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	458.1125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.0
57.03332	1.0
58.00454	3.6
58.99466	8.0
59.01250	82.1
60.01587	1.8
60.97390	3.5
68.99689	14.8
69.03329	14.7
69.38043	6.6
70.02850	15.2
71.01253	42.0
72.99181	2.7
73.02814	0.9
78.52955	0.9
82.99478	7.0
83.01234	2.1
84.04421	2.7
85.02824	8.4
86.00561	0.8
86.02345	17.9
89.02316	43.1
92.04930	1.0
93.03309	2.6
94.02864	5.5
95.01247	3.0
95.04882	1.8
96.00268	3.1
101.02316	17.4
103.05386	1.2
109.01052	1.3
110.02315	0.9
110.98940	1.7
112.03925	75.4
113.00574	1.7
113.02328	12.2
113.04266	2.3
119.03397	15.3
119.04857	1.6
121.02835	3.7
121.06506	1.3
122.02376	40.0
122.05982	6.1
123.02734	1.8
123.04419	2.9
130.06477	1.4
131.03499	1.1
131.03957	0.8
131.04915	7.0
135.02599	1.0
135.99777	7.6
137.04198	10.6
139.02144	6.1
143.03395	1.8
146.06065	1.1
147.02638	1.7
147.04440	2.9
148.03931	2.9
148.07573	1.0
149.02322	1.6
149.04355	1.0
149.06033	1.1
150.01404	2.1
151.90703	0.8
156.02943	17.8
157.03276	1.0
157.05193	1.7
158.03651	1.2
158.05988	2.9
161.04526	1.5
163.02115	2.4
164.01663	1.0
164.07043	0.9
165.02493	3.2
165.03708	40.3
166.04015	2.1
172.07607	7.4
174.05482	6.8
175.99324	0.9
179.01717	1.1
179.05498	3.2
182.02731	37.4
183.03020	1.4
185.04669	1.0
188.07135	1.2
190.03258	5.1
190.08669	2.1
191.01640	4.2
191.05406	1.1
192.06589	3.9
200.07086	23.9
201.07481	2.2
204.01105	1.8
205.01941	3.5
206.06396	2.8
218.08142	5.1
224.07503	1.0
226.01752	53.3
227.02065	2.2
234.05902	70.1
235.06161	5.2
268.06464	9.1
269.07007	1.2
278.04913	42.0
279.05206	3.1
296.05969	39.8
296.09372	1.4
297.06314	2.5
380.13495	1.0
398.10318	1.2
414.12344	2.3
424.12259	1.2
430.11734	4.3
458.11246	100.0
459.11606	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	457.135
Annotation	Unknow
Peak:m/z	Relative Intensity
57.41431	1.0
59.01259	6.4
65.16069	0.9
68.99683	46.1
69.03325	1.9
70.00017	0.9
71.01245	3.2
71.36307	1.0
71.36657	1.3
72.99159	1.2
75.00722	1.0
87.00761	0.9
89.02319	2.2
93.03324	3.8
101.02318	100.0
102.02666	2.7
107.04893	1.9
113.02350	1.4
119.04932	2.1
135.04379	2.2
147.85176	1.1
153.05438	4.2
163.03946	1.2
167.08284	0.8
168.57132	0.8
175.03899	1.2
179.03380	1.1
195.06560	5.8
223.09706	3.0
251.09245	13.6
287.67804	0.9
295.08218	3.1
457.13464	79.5
458.13959	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	457.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97735	0.9
59.01251	21.6
65.03829	4.7
67.01760	13.6
68.99689	19.0
69.03327	28.9
69.19237	9.4
70.16019	0.9
71.01249	12.7
72.99161	1.4
78.37126	1.0
85.02825	2.6
87.00742	2.3
88.50063	0.9
89.02317	10.8
93.03336	18.4
95.01285	1.6
95.04856	1.8
98.19849	1.9
99.00744	4.6
101.02319	33.8
105.03350	1.8
107.04909	2.7
113.01621	1.6
113.02330	17.9
119.03407	6.7
121.02847	17.4
121.06476	7.1
123.04414	2.1
127.03901	58.8
128.04277	1.3
135.04390	1.1
137.02319	2.5
139.03940	1.0
145.06462	1.7
147.04445	1.5
149.02354	6.2
149.05995	9.3
153.05470	42.5
154.05774	1.0
173.05994	2.7
179.03412	2.4
181.04973	25.8
182.05290	2.1
191.05467	0.9
193.05017	5.9
205.08614	2.0
207.02910	3.0
225.03989	43.2
226.04492	1.3
251.09296	1.2
277.07300	5.0
295.08054	1.5
457.13507	100.0
458.13788	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	457.173
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54851	0.4
53.56762	0.5
55.01764	1.5
57.03308	0.8
58.00468	3.6
59.01254	71.5
60.01610	0.5
67.01756	0.6
69.03331	8.5
69.45658	3.5
71.01256	79.9
72.01591	0.6
72.99186	3.1
73.02824	9.6
75.00743	2.7
81.03335	5.4
82.44647	0.4
83.01258	4.5
85.02828	11.1
87.00741	2.3
89.02322	100.0
90.02649	1.1
93.03326	1.8
95.01260	1.9
97.02248	0.9
97.02829	10.4
98.20623	0.9
99.00764	12.7
99.04382	1.4
101.02326	15.1
104.77137	0.4
107.01248	0.5
108.08621	0.5
109.02779	0.7
111.00755	1.9
111.04433	0.6
113.02341	8.7
115.03899	5.8
119.03409	2.3
121.02762	0.7
125.02341	46.0
126.02624	1.2
127.03886	1.6
131.02489	0.8
131.03401	13.4
135.04427	0.8
143.03378	3.1
147.04381	1.8
148.05211	61.0
149.03316	0.8
149.04471	15.6
149.05540	2.0
161.04440	2.7
163.03952	3.3
163.07555	17.2
173.04454	1.9
175.05945	0.6
191.05550	26.7
192.05856	1.4
215.05421	0.9
233.06641	36.0
234.06874	1.0
265.04861	0.5
293.08810	26.5
294.09018	1.4
311.05469	0.5
457.13641	0.6
458.14227	0.8
481.84488	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10410	0.2
57.03321	1.3
59.01255	0.5
59.15592	0.3
62.40750	0.2
67.01767	2.4
71.01244	0.2
71.51355	0.3
72.99178	1.9
78.95770	0.6
83.01263	1.1
85.02822	3.4
87.00748	4.1
89.02338	0.3
93.03381	0.3
99.00746	0.5
101.02315	0.9
111.00764	100.0
112.01116	2.4
129.01837	0.7
151.88930	0.2
152.99495	0.4
154.99771	4.2
155.10582	0.2
171.10159	0.5
173.00829	19.0
174.01195	0.7
191.05522	0.8
209.11797	0.6
227.12836	0.3
255.04724	0.2
281.17670	0.6
325.11176	0.3
455.19351	0.3
455.35638	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.8
57.03308	1.9
58.56847	1.7
59.01247	34.9
60.25579	1.6
61.98699	3.4
69.85225	8.8
71.01253	30.4
73.02821	15.0
83.01264	6.7
85.02817	17.5
87.00739	1.8
89.02316	5.6
93.03315	2.6
95.01270	2.7
96.19485	1.5
98.19868	1.8
99.00760	5.5
100.08452	1.5
100.69490	1.6
101.02322	39.3
110.70943	1.5
113.02336	14.2
123.04381	1.8
131.03416	1.8
159.02892	2.1
161.04466	10.9
167.03447	3.5
171.64099	1.8
191.05545	8.1
225.71060	1.7
244.65329	2.0
263.14975	100.0
264.15280	3.5
285.03671	1.7
395.19205	61.8
396.19638	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	455.3529
Annotation	Ursolic acid
Peak:m/z	Relative Intensity
97.79826	0.7
98.19781	2.0
101.97196	0.7
103.53741	0.7
108.60157	0.7
123.26691	0.7
128.88074	0.7
169.88402	0.6
194.34370	0.7
391.27893	0.7
455.35287	100.0
456.35638	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	456.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69122	0.9
55.43427	1.0
59.01253	10.9
61.98704	100.0
65.90585	0.8
67.01769	1.6
68.01289	3.8
68.99690	4.0
69.03324	7.9
69.25323	4.4
69.25751	5.0
71.01254	6.4
72.99183	2.1
79.95620	1.3
84.04419	3.1
85.02834	4.4
87.00745	2.2
89.02324	8.3
93.03353	4.2
95.01258	9.9
95.04893	1.6
96.95883	11.0
97.02856	7.6
101.02330	8.2
107.04881	1.2
109.02835	2.7
111.04403	1.2
113.02346	2.7
119.03381	3.0
121.02842	2.0
121.06484	1.9
122.02354	18.9
123.04426	6.8
126.05494	4.8
127.03908	1.6
135.04414	2.3
136.03967	5.3
149.05949	6.2
155.03404	2.4
157.33208	1.1
162.05505	5.4
173.04544	2.2
179.03429	2.5
180.02831	2.6
180.06587	13.1
188.07057	1.4
191.05540	16.7
206.04570	1.8
206.08231	1.4
209.11707	1.8
210.12152	1.7
218.29758	0.9
222.11264	1.6
224.03404	1.0
224.05611	18.0
232.09819	3.0
244.03758	1.0
250.10854	1.3
266.10287	8.0
276.08679	8.4
277.09061	1.3
294.09827	7.6
309.82843	1.0
456.15216	13.8
457.11069	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	453.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88673	3.2
58.00463	6.8
59.01250	86.6
61.98699	6.4
63.78218	3.0
65.99728	3.0
68.99686	3.2
69.29253	7.4
69.29677	18.6
71.01254	63.0
72.99174	4.9
73.02829	14.1
75.00748	3.0
77.66506	2.5
78.40176	2.6
85.02835	15.5
85.69502	2.7
87.00743	5.2
89.02316	100.0
93.03321	4.1
95.01255	4.2
95.36356	3.0
96.95897	7.1
97.06417	2.6
97.76360	2.7
98.20712	2.9
99.00745	18.4
101.02328	42.4
111.00784	4.4
113.02337	16.9
119.03374	26.4
125.02314	3.8
131.03392	12.3
134.03662	3.3
135.04411	11.4
143.03372	5.2
149.04468	48.6
155.03433	5.2
156.32770	2.8
179.03448	5.8
179.05536	12.2
191.05501	14.0
251.07675	3.3
261.13571	5.0
350.26407	3.8
366.87076	3.0
393.17682	71.5
394.18179	4.5
453.17831	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	453.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19389	0.4
56.13969	0.3
57.03315	1.1
59.01250	2.4
61.98695	1.8
67.94872	0.4
69.03310	0.7
71.01269	0.7
71.04885	0.5
71.21754	0.9
78.95770	0.5
80.02547	1.3
81.03328	1.1
83.04893	5.1
84.02042	0.8
85.02779	0.5
93.03317	0.6
95.04919	2.3
97.02824	1.9
97.06496	0.9
98.82438	0.3
99.00751	1.0
109.06487	1.1
110.03656	0.4
122.50263	0.4
123.08045	1.1
125.05975	0.8
125.09621	4.2
135.04442	0.8
135.08051	1.1
136.05200	0.5
141.12732	0.5
142.02638	1.2
148.73653	0.4
153.12862	0.4
161.02365	0.4
161.09723	0.4
161.54649	0.4
163.11183	5.5
165.12766	4.2
166.12958	0.4
171.10143	1.0
173.52342	0.4
177.12720	1.1
181.12250	4.4
185.11757	2.9
187.14680	0.4
191.05495	1.6
191.10738	1.0
197.11829	1.1
199.13319	0.5
203.14349	0.7
207.10185	10.3
208.10513	0.5
208.94385	0.5
209.11763	100.0
210.12117	5.8
211.13295	1.3
221.11839	0.6
221.15511	0.5
225.11275	18.1
226.11691	0.5
227.12840	41.6
228.13275	2.0
243.12297	2.7
247.13332	1.5
247.20560	0.7
265.14481	4.3
268.07339	0.4
273.18542	0.5
291.19675	8.6
292.20157	0.7
301.25272	0.6
303.23300	0.7
311.23761	0.6
321.88788	0.4
329.24786	0.5
345.24237	0.6
355.22980	0.4
363.25360	0.6
365.23352	1.4
373.23853	1.6
386.96393	0.4
391.24838	3.2
400.74741	0.4
407.24539	0.9
409.22269	1.2
417.22656	0.8
425.25464	1.2
435.18280	0.7
435.23868	8.3
436.24380	0.7
449.38284	0.5
453.24924	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	453.14
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03306	0.5
59.01254	5.2
59.70244	0.5
61.98701	1.4
63.04522	0.4
69.03350	1.1
71.01260	1.6
73.02865	0.5
75.56108	0.4
78.95789	2.2
81.03330	3.6
81.65130	0.5
83.01276	0.5
83.04893	15.4
84.05254	0.6
85.02821	1.2
85.83585	0.5
87.00783	0.9
89.02333	0.9
93.03325	3.5
95.04914	1.7
97.02231	0.4
97.02832	2.1
97.06458	1.1
98.19795	1.2
101.02324	3.0
101.05956	6.2
107.04914	2.0
108.02067	1.4
109.02820	1.8
109.06485	6.2
111.04413	1.4
113.02361	1.5
119.04921	100.0
120.05219	3.7
121.06474	0.9
123.04414	2.2
125.02282	0.6
125.05987	15.4
127.03939	2.7
133.02809	0.5
135.04419	1.6
135.08058	0.6
137.02386	0.6
139.07578	0.8
141.05481	6.9
145.04977	24.1
146.05330	0.8
149.05925	0.8
151.03900	1.5
152.01091	0.6
152.99519	2.3
156.06573	0.6
161.02344	1.2
163.03925	53.1
163.11226	2.3
164.04234	3.3
169.04980	19.4
170.05280	1.1
173.04430	2.0
179.03444	0.7
181.04951	0.9
181.12239	0.7
183.06552	1.2
184.06943	0.4
187.06078	2.0
191.05531	6.1
192.05952	0.7
193.04970	1.9
207.10207	8.7
211.06041	4.5
225.11298	7.4
226.11534	0.7
229.07114	8.4
230.07542	1.0
245.04305	1.0
258.19193	0.6
289.09317	11.7
290.09457	0.7
325.09283	0.8
365.21078	0.6
442.49496	0.5
453.14160	28.3
454.14490	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	453.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.4
57.03304	1.9
58.00460	5.9
59.01251	100.0
62.64526	0.9
65.55858	0.9
67.01751	2.7
68.99706	1.7
69.03323	21.3
71.01253	66.4
71.02818	1.2
71.03173	2.2
71.04903	1.3
72.99186	5.5
73.02823	2.3
74.30058	1.1
83.01265	2.3
85.02820	14.8
87.00740	4.2
89.02317	82.2
90.02654	1.5
91.05405	1.2
93.03345	7.0
94.03696	1.3
95.01241	3.8
95.04910	4.9
97.02850	1.3
97.06464	26.7
99.00742	1.7
101.02322	33.6
105.07006	2.5
111.00732	1.2
113.02337	23.8
119.03391	35.1
119.04850	11.5
123.04401	12.7
123.08051	59.3
124.08382	1.8
131.03377	2.0
135.04408	1.5
137.05975	3.2
143.03409	3.4
147.04395	1.4
149.04448	2.2
152.99500	2.3
159.08072	1.4
161.02312	1.9
161.04460	3.9
163.03868	1.0
171.04413	2.2
172.05171	2.0
173.04474	3.0
177.01929	1.9
177.09106	11.3
179.05571	6.8
183.11752	1.2
185.06078	1.5
186.06770	2.1
191.05530	20.3
192.05829	3.2
193.05937	3.4
199.11278	1.3
200.08257	1.1
201.12808	3.2
203.10689	7.8
211.11214	6.6
221.08104	1.4
229.12296	45.6
230.12593	4.9
247.13420	6.6
247.63844	1.0
247.76465	1.0
253.05254	1.1
273.11316	22.2
274.11588	1.4
453.17120	4.1
459.72638	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	453.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01240	0.6
71.49674	0.8
78.95773	98.7
89.02306	0.4
103.48887	0.3
110.89819	0.7
110.98409	100.0
111.98730	0.6
113.02389	0.4
136.68309	0.4
282.39124	0.4
341.11298	0.5
440.28717	0.4
441.96808	0.4
453.10403	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	453.125
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	24.0
67.01742	4.1
68.99689	44.9
69.03307	3.7
71.01260	15.3
72.99184	2.5
73.02822	17.8
75.00732	3.4
79.33630	2.4
81.03334	3.2
85.02820	4.2
89.02314	11.8
93.03320	4.9
95.04874	8.5
98.20603	4.5
101.02319	100.0
107.04914	15.3
109.02827	6.2
111.00761	5.3
111.04375	5.3
113.02312	6.7
117.01858	2.8
119.03389	3.4
121.02791	5.0
123.04413	6.8
125.05959	2.5
127.03873	4.9
135.04405	34.3
137.02306	4.8
137.06076	2.4
139.03885	4.9
149.02321	3.2
151.03912	16.3
153.01865	12.2
155.03340	2.7
155.46289	2.8
165.05490	11.8
179.03314	5.0
191.05490	2.6
193.04964	4.3
211.06047	23.6
229.29941	3.0
273.06134	5.0
453.12286	15.6
453.18008	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	450.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	1.9
61.98699	2.7
71.01237	0.7
71.50807	0.5
71.51217	0.8
78.95771	7.0
89.02319	0.5
93.03342	1.2
96.95912	0.5
126.91820	0.5
140.01093	2.3
145.02879	0.9
152.99445	2.4
173.04436	1.0
191.05547	0.7
196.03717	0.7
197.11810	0.9
207.31459	0.5
214.04756	2.8
235.20613	0.7
253.21698	100.0
254.22052	8.8
257.35867	0.5
432.24533	0.6
450.14841	1.0
450.26263	8.0
451.26801	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
57.42110	0.1
58.02841	0.3
59.01247	0.4
61.98689	0.1
65.03834	0.1
67.01773	0.2
69.34637	0.2
69.35047	0.5
70.02837	0.1
70.87849	0.1
71.01244	0.6
72.04419	0.1
73.02819	0.2
75.00743	0.3
78.95762	0.1
80.04925	0.5
81.03328	8.8
82.03661	0.2
82.06483	0.2
83.04893	26.2
84.04446	0.1
84.05225	0.6
85.02811	0.4
87.00758	0.3
89.02312	0.2
93.03323	0.7
94.03671	0.2
98.20574	0.1
99.24782	0.1
100.07538	0.2
101.02318	0.3
107.06014	0.7
108.04430	1.0
109.02839	0.1
113.02335	0.2
119.03319	0.1
119.04920	0.1
125.07098	3.1
126.05509	0.6
126.07413	0.1
135.04361	0.1
143.08159	1.6
157.13405	0.1
161.04425	0.1
163.03888	0.1
166.12381	0.1
168.00587	0.1
173.04440	0.3
174.04803	0.1
175.04868	0.1
178.04739	0.1
183.14967	0.1
187.07504	0.1
188.07906	0.1
191.03786	0.1
191.05525	1.9
191.51433	0.1
192.05855	1.0
193.05995	0.9
199.18155	0.1
207.14961	3.4
208.13330	0.3
208.15172	0.2
222.16046	0.2
224.17638	4.9
225.16028	13.0
226.16350	0.8
242.18703	1.9
250.15591	0.3
257.08206	0.1
258.08417	0.1
259.08752	0.2
265.27628	0.1
268.16629	0.3
277.09827	0.1
290.22464	0.4
292.20468	0.1
306.21899	0.1
307.23993	0.3
309.21756	0.5
319.17554	0.2
324.22998	0.1
324.26538	1.9
325.26920	0.3
333.22943	4.6
334.23431	0.4
339.27505	0.2
340.27780	0.1
341.29230	0.2
351.24026	1.0
352.24210	0.1
367.27148	1.2
385.28146	0.5
406.30704	0.2
433.31799	6.4
434.32336	0.7
451.32852	100.0
452.33179	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	450.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	2.3
59.01253	15.4
60.01592	1.4
60.99180	7.2
61.98705	9.2
67.01760	19.2
68.02105	2.7
69.03329	4.7
71.01250	14.3
72.01601	1.6
73.02810	4.5
80.16376	1.0
81.03328	5.1
82.03702	1.4
83.01259	2.0
83.04890	3.9
85.02828	11.0
86.03179	2.7
87.00751	24.5
88.01089	3.8
89.02317	4.0
90.02680	0.9
93.03333	100.0
94.03669	35.7
95.04903	1.5
97.06475	1.2
99.00764	2.7
99.04412	2.8
101.02314	6.8
105.03346	2.3
109.02841	2.4
111.00843	1.0
111.04403	14.4
112.04725	5.7
113.02318	4.5
118.46575	1.1
119.03435	1.4
119.04912	2.5
123.04456	1.1
127.03910	3.1
129.01833	2.5
131.03340	1.2
133.02832	5.1
134.03694	5.7
135.04378	4.3
137.02365	2.3
143.03438	1.7
149.04475	1.2
150.03185	1.6
150.04796	1.2
155.03415	4.4
156.03697	2.1
159.04298	1.2
161.02393	1.3
161.04454	2.0
163.03889	2.2
165.01816	1.5
169.43842	1.2
172.05240	1.4
173.04466	64.8
174.04816	30.7
174.06421	1.6
175.04979	1.6
175.07260	2.4
187.07600	6.8
188.07939	7.1
191.05539	87.0
192.05882	33.5
193.06052	4.3
195.06621	2.1
202.06216	1.3
203.06668	1.0
204.11134	2.0
213.09164	2.4
214.09564	2.9
231.06648	1.6
231.10229	7.9
232.07097	2.1
232.10558	11.2
257.08170	6.2
258.08524	10.0
275.09302	11.9
276.09570	22.0
276.12323	1.5
285.03806	2.8
286.04242	3.2
287.04352	2.5
288.04974	1.9
303.21689	1.4
319.17838	1.3
450.09885	3.8
450.14954	56.5
450.20129	2.3
451.15585	2.2
455.29111	1.2
461.87689	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1484
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	9.0
60.99155	0.8
61.01669	1.1
61.98701	20.4
67.01768	4.7
68.02100	0.8
69.03326	1.9
71.01255	3.8
73.02826	1.0
81.03326	1.5
83.04903	1.3
85.02819	8.6
86.03149	1.7
87.00749	7.6
88.01098	1.4
89.02317	2.9
93.03333	21.0
94.03661	6.7
98.19743	1.4
99.00780	1.1
101.02326	1.3
109.02831	1.8
111.04379	4.0
111.13697	0.9
113.02282	0.9
123.04402	0.9
127.03899	2.2
135.04420	1.1
147.04036	0.9
155.03372	1.5
156.03664	1.2
159.04320	2.6
160.04822	0.8
172.05269	2.0
173.04462	9.3
173.05815	2.2
174.04797	3.4
174.06244	1.2
183.04182	0.9
184.04688	1.0
187.03886	1.3
187.07555	11.7
188.07924	11.5
191.05539	100.0
192.05879	44.4
193.06024	3.5
201.05356	1.9
202.06099	4.8
203.06610	3.3
203.10745	1.1
213.09134	3.4
214.09483	6.1
215.07092	2.6
216.07446	3.6
229.67000	1.0
230.08972	1.6
230.94264	0.8
231.10165	5.2
232.06967	1.8
232.10559	8.3
257.08176	5.8
258.08527	11.1
275.09286	7.9
276.09573	14.5
315.08636	1.0
345.13251	1.1
346.13736	2.6
374.25693	1.0
418.45148	1.0
450.14786	8.7
451.15005	1.3
453.20776	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92337	0.9
57.03329	0.9
59.01240	1.7
60.99167	2.3
65.54804	0.9
67.01768	8.5
68.02101	1.7
69.03316	2.0
69.20764	8.5
69.21166	1.9
71.01258	3.9
71.11183	0.8
77.73400	1.0
81.03343	1.7
83.04906	1.0
85.02831	3.0
87.00748	11.8
88.01106	1.4
93.03335	45.2
94.03679	16.2
97.06441	1.0
99.00799	1.2
106.43036	1.0
108.02053	3.2
109.02887	1.3
111.00700	1.1
111.04384	5.3
112.04739	1.6
113.02337	1.1
121.02857	2.6
122.03648	1.6
124.01556	8.4
125.02332	3.9
126.03036	1.1
133.02823	6.2
134.03656	20.2
135.04434	100.0
136.04742	49.4
137.02328	3.0
137.04956	1.1
150.03133	3.7
151.03920	19.2
152.04263	8.5
155.03381	1.6
160.01559	1.0
161.02280	2.6
173.04478	17.8
174.04805	8.6
176.04369	0.9
177.01860	1.9
178.02527	1.1
178.74344	1.0
179.03426	20.4
180.03859	15.1
181.04482	1.6
189.05453	0.9
191.05537	28.3
192.05872	12.5
193.05991	1.4
257.08221	2.6
258.08459	3.3
275.09235	1.6
276.09616	4.1
290.07916	2.5
291.08325	3.2
307.08237	4.6
308.08890	20.9
309.09351	31.3
310.09708	2.4
352.07947	9.8
353.08322	18.6
354.08652	1.5
450.14706	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	450.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32611	0.6
59.01251	57.3
60.01582	6.8
61.01669	0.9
61.98702	100.0
67.01765	2.9
68.02073	0.7
68.99675	4.7
69.23140	2.0
69.23558	5.5
70.00009	0.8
71.01260	2.5
83.61375	0.6
85.02808	1.0
89.02345	2.0
92.30923	0.7
101.02322	20.0
102.02655	6.7
103.02778	1.3
107.43594	0.6
113.02312	1.0
123.04420	0.8
124.04733	0.8
127.03893	13.1
127.04787	1.0
128.04266	4.1
130.17686	0.8
173.05800	0.7
191.05598	1.8
225.07718	2.3
226.08067	3.0
227.09299	11.4
228.09636	14.5
229.09744	0.7
254.23224	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52852	0.7
59.01250	100.0
60.01577	1.6
61.01675	1.1
61.98702	7.0
67.01755	6.2
68.99686	7.5
69.42831	2.0
69.43237	4.2
71.01271	1.2
89.02309	1.2
95.00711	0.7
98.20567	1.0
101.02322	40.1
102.02642	2.3
103.02785	2.1
112.01582	0.8
123.04427	1.6
123.34513	0.7
127.02975	1.2
127.03905	23.3
197.03754	0.9
225.07715	5.2
226.07939	4.5
227.09239	64.1
228.09593	1.8
275.09207	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	449.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
61.98715	4.6
62.23120	2.7
67.01757	3.0
68.99683	8.3
69.03323	17.1
69.68305	17.2
71.01247	12.2
79.62686	2.5
83.04890	2.2
84.92909	2.3
85.02827	5.3
87.00736	4.1
89.02320	20.2
91.46327	2.4
93.03358	17.7
101.02318	25.6
119.03379	6.1
155.03430	3.3
157.04947	10.2
161.54642	2.5
172.98581	2.8
173.04523	4.5
179.05511	4.9
187.07518	9.0
191.05536	73.3
192.05891	3.9
213.09094	4.7
227.09180	10.8
257.08090	8.0
275.09216	8.4
357.87497	2.6
370.46887	2.5
425.06683	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	450.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12355	1.0
57.23030	0.9
59.01254	16.3
60.01593	3.5
61.01676	2.2
61.98705	100.0
62.75077	1.1
67.01765	2.2
69.69136	5.3
71.01237	2.6
85.02837	2.5
86.03159	1.2
87.00757	2.6
87.10796	1.2
89.02307	2.6
93.03343	9.6
94.03687	3.3
98.19811	2.0
101.02334	2.3
102.02654	1.0
111.13737	1.1
155.03403	2.2
156.03777	1.3
162.41595	1.1
173.04454	2.5
175.42570	1.1
177.75516	1.1
187.07643	1.8
188.08009	1.9
191.05531	24.4
192.05890	11.3
195.46933	1.1
267.19937	1.2
276.09720	1.1
288.92169	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	12.8
60.01593	1.3
61.98700	100.0
68.99696	1.4
69.52333	2.9
71.01254	1.5
72.01583	0.4
83.51321	0.4
85.02850	0.6
85.75900	0.4
89.02311	2.5
90.02657	0.5
95.01278	0.5
98.19837	0.7
101.02317	4.8
102.02690	1.2
113.02341	0.8
118.16862	0.4
119.03371	0.7
120.30704	0.4
123.04391	1.1
124.04743	0.8
155.03423	0.9
187.07628	0.5
191.05576	0.8
198.20409	0.4
201.11987	0.4
225.07631	2.4
226.08006	3.1
275.09341	1.6
345.68326	0.4
446.01276	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99177	1.9
67.01755	6.5
69.03335	1.2
71.01242	2.8
80.48022	0.7
81.03342	1.7
85.02835	2.9
87.00751	6.8
93.03332	35.2
108.02041	3.5
109.02853	1.3
111.04420	3.9
121.02846	1.9
122.03610	1.5
124.01553	7.5
125.02346	3.6
126.03117	2.8
127.03921	1.3
129.01802	1.2
133.02847	5.6
134.03636	18.4
135.04410	100.0
136.04898	3.2
137.02345	3.1
149.97984	0.7
150.03108	5.4
151.03911	13.1
155.03424	1.2
160.01584	2.0
161.02350	2.6
162.03082	1.0
167.27260	0.7
173.04471	12.6
174.81059	1.0
177.01750	1.3
178.02615	1.8
179.03419	23.9
180.04201	4.5
191.05536	21.3
191.07150	1.4
257.08203	2.7
275.09283	2.5
290.07968	2.3
307.08298	5.8
308.08981	22.8
309.09320	1.5
323.07611	0.9
352.07968	16.0
353.08286	1.7
449.14508	9.5
450.14938	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	449.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46852	0.6
57.03322	1.2
57.36237	0.7
59.01260	0.8
60.99171	2.0
67.01764	6.4
69.03332	2.3
69.20419	2.2
69.20837	4.4
71.01265	3.0
80.75889	0.7
81.03336	0.9
83.04883	1.5
85.02835	2.9
87.00758	10.1
93.03338	38.7
97.06481	1.1
98.54922	0.6
99.00767	1.1
103.63123	0.6
107.04900	0.8
108.02060	3.5
109.02832	1.9
111.04404	4.7
113.02348	0.8
121.02866	3.0
122.03622	2.1
124.01563	8.9
125.02343	3.5
126.03113	2.9
127.03887	0.7
129.01866	1.4
133.02858	5.1
134.03639	21.9
135.04422	100.0
136.04863	2.3
137.02336	2.3
150.03130	4.9
151.03918	15.3
152.04208	0.7
155.03409	0.9
159.38922	0.8
160.01573	2.2
161.02403	2.0
173.04482	14.1
177.01874	1.2
178.02647	1.2
179.03430	21.8
180.04164	3.5
191.05551	25.1
192.05853	1.1
201.62639	0.7
215.05516	0.6
226.01801	0.6
226.07980	0.8
257.08264	3.6
258.08545	1.0
270.29355	0.7
275.09259	2.7
290.08041	2.8
306.07742	1.5
307.08237	6.5
308.09030	28.5
309.09399	2.1
323.07803	1.4
351.07153	1.9
352.08014	18.1
353.08447	1.6
409.90381	0.9
412.92310	0.7
449.14590	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	448.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14910	1.0
59.01248	100.0
60.01582	11.6
61.01669	1.6
68.99692	5.5
69.03312	2.4
69.50719	8.3
71.01253	15.6
71.21950	1.0
72.01614	3.3
72.99200	1.5
85.02832	3.3
87.00752	1.7
89.02319	19.0
90.02652	4.4
93.03334	3.5
95.01260	7.2
96.01602	3.2
98.19832	2.1
101.02323	15.4
102.02665	3.7
113.02331	4.6
119.03396	6.0
122.03193	1.2
123.04411	4.6
124.04732	4.9
141.52086	1.2
155.03409	11.0
156.03755	7.1
159.80652	1.1
161.04391	1.6
179.05524	1.8
191.05511	9.0
226.08083	2.4
267.16034	1.4
369.36713	1.1
381.28061	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2518
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81759	0.2
54.70777	0.3
59.01249	6.3
64.63955	0.3
70.89217	0.5
70.89544	0.3
71.01247	1.1
78.95778	4.7
89.02315	1.3
95.01284	0.5
101.02320	1.2
110.98412	3.6
113.02297	0.5
119.03310	0.4
123.04414	0.5
152.99529	1.1
155.03386	1.2
161.04517	0.3
162.61325	0.3
167.01047	1.6
170.40190	0.3
184.03848	0.2
184.12189	0.3
185.02118	3.2
193.20593	0.3
208.95604	0.3
238.09077	0.3
261.22290	0.4
279.23285	100.0
280.23611	9.4
284.03299	0.6
285.04089	1.7
310.96005	0.3
343.93521	0.3
447.09235	0.9
447.25159	5.4
448.25558	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55376	2.7
57.03330	3.4
58.02854	22.0
59.01251	100.0
60.01575	3.3
68.99704	3.5
69.03332	31.3
69.66423	18.0
71.01251	48.0
72.99181	16.9
73.02808	3.7
75.00732	4.2
81.03323	4.0
82.01603	2.9
82.02844	4.2
83.01254	5.7
84.00777	4.5
85.02820	24.0
87.00743	9.6
89.02322	66.2
93.03339	8.8
94.02849	7.1
95.01247	9.3
95.04874	3.3
97.02836	19.1
98.02364	4.0
98.20553	3.2
100.03944	15.8
101.02328	26.8
103.00323	2.6
107.03674	4.7
107.04910	11.8
108.04407	3.4
109.02847	7.2
110.02364	3.6
111.04429	4.4
112.03941	39.5
113.02335	20.0
119.03403	24.4
119.04909	21.6
120.04408	8.3
121.02845	20.5
121.06503	2.6
123.04436	12.9
126.05486	6.3
127.03905	2.6
135.04396	12.7
135.06769	2.6
135.08052	8.1
136.03951	10.7
136.07591	28.0
137.02321	9.3
137.05971	9.9
138.05507	10.9
139.03923	4.9
141.05559	2.7
143.03476	3.7
147.04436	25.2
149.05983	3.0
151.03876	3.3
153.05495	3.6
154.04996	46.2
155.03308	2.7
161.04489	4.4
162.05513	18.7
163.03961	3.4
163.07579	18.8
164.07094	39.2
165.05426	8.4
165.77505	2.6
175.59515	2.8
178.08627	15.0
179.05594	18.0
179.06953	3.8
180.06610	28.0
181.04967	9.8
191.05527	9.4
206.08168	89.3
207.06584	4.9
207.08510	8.0
224.05630	8.9
224.09212	28.2
225.07623	6.9
225.09576	2.9
255.06253	3.2
268.08325	6.2
430.13348	13.0
448.14972	46.6
449.13205	19.3
461.04266	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	447.2232
Annotation	Sachaloside I
Peak:m/z	Relative Intensity
55.01757	5.8
57.03323	4.9
58.00473	4.1
59.01250	96.2
60.01585	1.1
63.03204	0.3
67.01759	0.8
68.99677	1.3
69.03333	3.9
71.01251	100.0
72.01595	1.2
72.99176	5.6
73.02817	23.2
74.76327	0.3
75.00747	1.6
75.34644	0.3
81.03322	1.4
83.01257	13.1
84.02026	0.8
85.02820	34.2
85.99998	0.7
86.03165	0.8
87.00746	6.6
89.02314	61.3
90.02631	0.9
92.69987	0.3
93.03336	1.8
95.01260	5.9
97.02823	4.9
98.19789	1.0
99.00755	10.8
99.04408	0.4
101.02320	63.8
102.02641	1.0
107.01273	1.0
109.02865	0.8
111.00757	4.7
111.04388	1.0
113.02327	29.3
114.02631	0.7
115.03869	1.3
119.03376	5.4
123.00750	0.6
123.04419	2.2
125.02331	8.2
127.03857	0.9
129.01840	1.3
131.03392	28.6
132.03719	0.7
133.02869	1.0
137.02361	0.6
139.03926	0.4
141.01857	0.6
143.03387	5.2
149.02443	1.1
149.04449	17.8
150.04797	0.5
151.00229	1.0
155.03416	5.0
156.03610	0.5
159.02899	5.3
161.04459	35.1
162.04764	1.0
173.04474	1.9
175.03915	0.5
179.05614	1.7
179.06943	0.4
181.05029	0.5
191.05533	12.5
192.05911	0.6
199.03864	0.5
205.03445	1.2
211.13350	1.5
215.05640	1.0
216.67534	0.4
223.13306	1.0
225.07620	1.0
227.03421	0.5
229.27530	0.4
233.06642	4.5
255.02899	1.2
255.06703	0.4
256.03546	1.5
269.22952	0.4
283.02502	0.8
284.03238	15.7
285.04025	27.1
286.04422	1.9
293.08838	2.1
297.17093	0.7
315.18088	28.8
316.18430	2.5
447.09216	17.5
447.22290	51.2
448.09467	2.4
448.22577	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	447.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	0.9
58.00443	0.8
59.01253	70.6
60.01584	0.8
61.98703	0.9
63.02266	1.1
68.99698	4.4
69.03326	1.2
70.56506	1.9
71.01255	12.6
72.99178	0.9
73.02818	1.0
78.95778	27.1
83.01247	0.8
85.02813	2.2
87.00739	0.9
89.02325	19.7
93.03345	0.9
95.01247	4.0
96.96839	2.9
101.02328	16.3
107.01270	1.4
111.04391	0.7
113.02343	5.3
113.09570	0.7
117.02567	1.0
117.03356	14.6
119.03500	7.8
119.04917	46.5
120.05250	1.8
121.02875	1.2
121.92601	0.5
123.04419	7.9
131.03432	0.9
133.02844	4.5
134.03624	1.0
135.04430	3.4
143.03383	1.0
145.02861	100.0
146.03181	3.9
149.02353	1.8
149.04546	0.7
151.00287	2.8
152.99495	49.6
153.99854	1.1
155.02193	1.0
155.03410	12.8
161.01105	0.8
161.02370	12.0
161.04477	1.6
163.03925	38.4
164.04242	1.6
171.00587	1.8
175.03844	1.2
179.03468	0.8
179.05556	3.5
181.04988	0.6
191.05562	1.6
195.04314	0.8
199.03946	1.2
211.03889	0.6
217.05174	0.6
221.19083	8.7
225.07584	3.7
225.14980	1.3
227.03685	0.8
239.20169	0.6
255.02951	0.7
256.03671	2.2
265.18167	4.0
266.18295	0.6
283.19138	9.5
284.03275	34.3
285.04037	63.5
285.20740	1.1
286.04333	5.4
301.20203	21.0
302.20602	1.4
327.05157	1.1
333.75595	0.6
340.99649	0.6
390.12781	0.7
447.09396	42.2
447.23926	56.1
448.09845	5.0
448.24213	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	447.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	5.8
57.03323	4.9
58.00473	4.1
59.01250	96.2
60.01585	1.1
63.03204	0.3
67.01759	0.8
68.99677	1.3
69.03333	3.9
71.01251	100.0
72.01595	1.2
72.99176	5.6
73.02817	23.2
74.76327	0.3
75.00747	1.6
75.34644	0.3
81.03322	1.4
83.01257	13.1
84.02026	0.8
85.02820	34.2
85.99998	0.7
86.03165	0.8
87.00746	6.6
89.02314	61.3
90.02631	0.9
92.69987	0.3
93.03336	1.8
95.01260	5.9
97.02823	4.9
98.19789	1.0
99.00755	10.8
99.04408	0.4
101.02320	63.8
102.02641	1.0
107.01273	1.0
109.02865	0.8
111.00757	4.7
111.04388	1.0
113.02327	29.3
114.02631	0.7
115.03869	1.3
119.03376	5.4
123.00750	0.6
123.04419	2.2
125.02331	8.2
127.03857	0.9
129.01840	1.3
131.03392	28.6
132.03719	0.7
133.02869	1.0
137.02361	0.6
139.03926	0.4
141.01857	0.6
143.03387	5.2
149.02443	1.1
149.04449	17.8
150.04797	0.5
151.00229	1.0
155.03416	5.0
156.03610	0.5
159.02899	5.3
161.04459	35.1
162.04764	1.0
173.04474	1.9
175.03915	0.5
179.05614	1.7
179.06943	0.4
181.05029	0.5
191.05533	12.5
192.05911	0.6
199.03864	0.5
205.03445	1.2
211.13350	1.5
215.05640	1.0
216.67534	0.4
223.13306	1.0
225.07620	1.0
227.03421	0.5
229.27530	0.4
233.06642	4.5
255.02899	1.2
255.06703	0.4
256.03546	1.5
269.22952	0.4
283.02502	0.8
284.03238	15.7
285.04025	27.1
286.04422	1.9
293.08838	2.1
297.17093	0.7
315.18088	28.8
316.18430	2.5
447.09216	17.5
447.22290	51.2
448.09467	2.4
448.22577	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	447.215
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	7.1
62.96296	0.2
68.99663	0.2
69.37476	1.7
71.01243	0.9
78.95771	56.5
83.71825	0.2
85.02855	0.3
89.02312	1.9
89.15544	0.2
95.01228	0.3
96.96837	7.0
101.02315	1.3
113.02293	0.5
119.03379	0.7
123.04401	0.8
150.97935	1.6
151.00352	0.2
152.99483	100.0
153.99834	1.4
155.03404	1.3
170.99091	0.2
171.00546	5.1
171.01910	0.4
179.05492	0.2
217.39833	0.2
217.57074	0.2
220.46585	0.2
225.07640	0.5
256.03735	0.2
284.03262	2.4
285.03976	3.9
286.04498	0.3
293.21310	0.5
377.13550	0.2
447.08905	3.0
447.21481	12.2
448.21719	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31877	0.2
59.01253	10.0
60.01588	0.2
60.83205	0.2
62.96270	0.2
68.99704	0.5
70.62097	0.4
70.62434	0.3
71.01258	1.3
76.33614	0.2
78.95776	50.2
85.02861	0.3
88.99434	0.2
89.02315	2.6
95.01284	0.6
96.96840	5.9
100.07614	0.2
101.02316	2.1
113.02328	0.7
119.03406	1.0
123.04418	1.0
133.02864	0.5
143.03439	0.3
144.90199	0.2
150.97906	1.8
151.00305	0.6
152.99490	100.0
153.99817	1.3
155.03395	1.9
161.04465	0.3
171.00568	4.4
172.00955	0.2
175.03966	0.2
179.05533	0.4
191.05569	0.4
192.05217	0.2
199.03906	0.3
211.04137	0.2
225.07661	0.6
227.03333	0.3
246.76939	0.2
255.02943	0.3
256.03778	0.4
274.07697	0.2
284.03265	6.2
285.04034	10.4
286.04315	1.0
293.21194	0.4
447.09271	6.4
447.21506	10.2
448.09641	0.7
448.21866	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80561	0.5
52.04891	0.4
55.01751	0.4
57.03334	0.7
58.00474	0.9
58.02857	1.4
59.01250	100.0
60.01585	1.1
68.99709	0.5
69.03332	2.4
70.23437	1.9
71.01253	11.7
72.01610	0.6
72.99178	6.3
73.02814	0.6
75.00742	0.9
85.02836	2.2
87.00767	1.2
89.01760	0.9
89.02312	18.2
93.03338	0.9
94.02872	0.5
95.01283	1.2
95.04910	0.4
97.02846	2.3
100.03915	1.0
101.02319	7.5
107.04905	1.1
109.02905	0.4
112.03941	2.3
113.02332	5.1
115.70767	0.4
119.03384	6.9
119.04887	1.0
121.02858	1.3
123.04430	1.4
126.05538	0.5
131.03441	1.0
136.03967	1.0
136.07622	1.7
137.06004	0.6
138.05568	0.8
143.03426	1.7
147.04417	1.4
149.04486	0.8
151.03862	0.4
153.05412	0.6
154.04994	2.7
155.03419	3.4
156.41496	0.5
161.04424	2.6
162.05554	0.8
162.95796	0.4
164.07129	1.7
165.05470	0.6
177.05551	0.4
178.05835	0.7
178.08667	1.3
179.05544	10.2
180.06616	1.2
186.05557	0.6
191.05534	0.6
204.06836	0.5
206.08180	4.8
224.09323	1.5
224.71803	0.4
225.07742	1.2
268.08405	0.5
285.04169	1.1
373.11270	0.8
387.20328	0.6
447.13925	2.3
448.14786	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	447.151
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93482	0.7
58.48689	0.7
59.01253	75.2
59.35890	0.7
60.01563	0.9
61.05396	0.6
61.98692	1.0
63.26680	0.7
67.01751	2.0
68.99690	33.1
69.03311	0.8
70.36094	2.8
71.01246	2.2
79.64536	0.7
89.02306	1.3
95.01281	1.0
101.02325	87.7
102.02653	1.1
106.04184	0.9
108.02042	1.2
113.02274	1.0
113.03075	0.7
119.03401	0.9
121.06479	2.7
123.04411	16.9
123.05296	0.9
124.04747	1.1
125.02323	2.5
127.03878	4.2
135.83650	0.6
149.06052	1.0
150.17850	0.8
169.86092	0.7
181.05022	1.5
196.38394	0.8
211.09706	1.7
214.08556	0.7
225.07643	100.0
226.08023	5.8
324.69379	0.8
387.13077	1.9
447.15045	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	447.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10730	0.2
59.01251	11.2
59.28595	0.2
61.98694	0.4
62.96264	0.2
65.89510	0.2
68.09766	0.2
68.99691	0.4
69.03329	0.2
71.01250	1.7
72.99189	0.3
78.95777	55.8
85.02804	0.2
89.02315	2.9
95.01256	0.9
96.96841	6.2
98.20590	0.4
101.02322	2.1
113.02328	0.6
113.09605	0.3
119.03397	0.8
123.04385	1.2
132.77415	0.2
133.02808	0.4
143.92105	0.2
150.97929	1.9
151.00305	0.2
152.99492	100.0
153.99814	1.6
155.03407	1.9
161.04459	0.2
161.39847	0.2
166.10182	0.2
171.00562	4.7
175.03891	0.4
179.05522	0.6
191.05586	0.2
207.06873	0.2
225.07651	0.6
256.03738	0.6
284.03262	5.9
285.04037	10.2
286.04465	0.7
293.21268	0.6
331.18668	0.3
447.09308	6.5
447.21524	8.7
448.09610	0.8
448.21634	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46295	0.2
59.01250	9.0
61.98685	0.2
62.96268	0.4
68.19025	0.3
68.99683	0.5
69.61669	1.6
71.01250	1.6
72.99165	0.4
78.95774	53.2
85.02832	0.3
89.02316	2.4
95.01265	0.3
96.96838	6.4
97.55555	0.2
101.02322	1.7
107.73658	0.2
110.72630	0.3
113.02306	0.8
115.00227	0.4
119.03367	0.7
123.04410	0.8
150.97940	1.8
152.99487	100.0
153.99803	1.6
155.03384	1.5
171.00562	4.7
179.05522	0.5
225.07591	0.3
229.06821	0.3
232.52379	0.3
242.20085	0.3
255.33405	0.2
284.03268	2.9
285.04004	4.2
286.04041	0.3
288.11356	0.3
293.21182	0.8
294.21686	0.3
331.18839	0.8
374.88815	0.3
375.90192	0.2
447.09320	3.3
447.21472	8.2
448.21738	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05474	0.6
58.00473	0.9
59.01247	100.0
60.01579	1.1
68.99676	3.5
69.03324	1.5
69.20958	6.9
69.21288	1.6
71.01250	18.9
72.99169	1.3
85.02829	1.8
87.00754	0.7
89.02313	33.9
95.01258	5.5
98.20574	1.4
101.02318	20.1
113.02328	8.1
119.03387	12.8
121.02850	0.7
123.04403	11.0
124.53705	0.6
131.03441	1.4
143.03412	2.1
149.04451	1.7
155.03398	17.3
156.03766	1.0
161.04494	2.3
175.03955	1.0
179.05605	5.3
181.05087	0.9
225.07596	4.1
315.30087	0.7
355.10306	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16998	0.6
58.00470	1.7
59.01250	100.0
60.01590	0.7
68.99684	4.4
69.03321	1.5
70.10046	2.4
71.01252	16.0
72.99187	1.1
78.95770	0.9
81.17046	0.7
84.20638	0.5
85.02837	2.5
87.00751	0.8
89.01763	1.5
89.02316	26.5
95.01260	5.8
99.92463	0.8
101.02326	19.6
113.02332	6.3
119.03394	8.0
123.04405	8.2
131.03459	1.0
133.02881	0.7
136.32623	0.6
143.03430	1.7
149.02394	1.2
149.04460	0.7
151.00243	1.1
152.99515	1.2
155.03406	14.8
161.04498	2.4
175.04019	0.9
179.05540	5.0
181.04974	0.9
192.95732	1.0
193.05037	0.6
201.02509	1.9
209.93153	0.7
222.36682	0.6
225.07643	5.9
256.03809	0.8
284.03278	9.4
285.04019	15.6
286.04468	1.8
322.91525	0.8
343.31082	0.6
381.11734	0.6
387.13065	0.9
387.19995	0.8
447.09308	12.0
448.09793	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	447.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49159	0.2
59.01248	5.8
62.96275	1.2
68.99688	0.3
70.99921	0.2
71.00269	0.4
71.01250	0.8
77.54958	0.2
78.95774	40.8
89.02308	1.5
95.01266	0.3
96.96839	2.6
98.53880	0.2
100.00013	0.2
101.02326	1.0
102.95374	0.2
113.02339	0.5
119.03385	1.0
121.49699	0.2
123.04401	0.4
148.99997	20.1
150.00316	0.4
152.99496	1.1
155.03419	1.2
158.92500	1.8
179.01050	3.1
179.05438	0.2
205.15843	1.2
225.07709	0.4
240.96709	0.4
267.11554	0.4
269.37015	0.3
284.03305	1.6
285.04031	3.4
347.08197	0.7
417.12460	0.8
431.10248	2.5
447.13443	100.0
448.13809	10.8
464.10162	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60792	0.9
58.00463	1.3
59.01252	100.0
60.01614	1.0
66.29714	0.8
68.99677	5.6
71.01263	14.6
71.30588	1.0
71.30913	1.5
72.99176	1.2
85.02825	3.2
85.80933	0.8
88.79494	0.9
89.02322	17.4
93.03378	1.1
95.01272	7.6
101.02321	16.6
113.02332	5.7
119.03384	5.1
123.04425	8.8
150.56029	1.0
155.03415	13.9
156.03807	1.0
179.05524	1.9
225.07622	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	447.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50050	0.1
59.01249	3.8
63.02257	0.4
65.00193	1.4
68.99686	0.3
70.38026	0.5
83.01261	0.7
85.02821	0.5
87.00766	0.2
89.02332	0.9
93.03339	0.5
95.01248	0.3
98.19894	0.2
101.02332	0.6
105.03302	0.2
107.01270	2.2
109.02811	0.2
113.02338	0.4
119.03340	0.1
121.02810	0.6
123.04395	0.4
125.02302	0.2
133.02844	7.9
134.03156	0.2
136.98703	1.2
139.00255	0.2
139.03838	0.2
143.04924	0.2
145.02872	0.2
149.02338	2.0
149.99519	0.2
151.00276	5.3
152.00595	0.2
155.03328	0.7
163.00208	0.2
165.01857	0.4
169.01366	0.2
169.06456	0.2
171.04460	0.4
173.04309	0.1
173.05826	0.2
175.03926	2.8
183.04401	0.2
185.05956	0.5
187.03970	0.5
191.05527	3.9
192.00534	0.2
196.05394	0.2
197.06001	0.4
198.03180	0.4
199.03922	2.4
200.04599	0.3
201.01892	0.6
205.21255	0.2
211.03897	0.5
212.04636	0.5
213.05486	1.0
215.03452	0.4
216.04251	0.2
217.04961	1.5
223.03981	0.2
225.07635	0.2
226.02632	0.2
227.03430	0.9
228.04260	0.3
229.05005	0.4
239.03404	0.4
240.04210	0.5
241.05008	1.7
243.02902	0.6
255.02922	0.7
255.06631	0.3
256.03735	1.8
257.04504	1.3
258.04764	0.2
267.02921	0.6
283.02448	0.5
284.03247	19.9
285.04016	100.0
286.04361	7.2
327.05032	0.7
414.73697	0.2
447.09280	22.7
448.09647	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81358	0.3
56.11016	0.4
59.01247	4.4
63.02256	1.9
65.00201	1.3
83.01262	1.0
101.02312	0.4
105.03296	0.3
107.01273	4.2
109.02841	0.8
121.02837	0.5
123.00731	0.6
125.02385	0.5
132.02081	0.6
133.02837	6.8
134.03662	2.1
140.22955	0.3
148.01521	0.8
149.02318	2.6
149.99446	0.5
151.00278	7.7
163.00276	0.6
171.04439	0.7
175.03949	2.1
177.01839	0.5
183.04454	0.7
187.03920	0.6
188.04720	0.4
195.04501	0.6
198.03174	0.3
199.03943	2.2
200.04666	0.7
201.01862	1.0
211.03929	2.0
212.04663	0.8
213.05502	0.5
215.03459	0.5
217.05049	1.5
227.03471	2.4
228.04007	0.7
229.05008	0.4
239.03458	0.9
240.04147	0.7
241.05139	1.0
243.02887	0.6
255.03001	1.7
256.03738	7.2
257.04196	0.6
267.02954	0.5
280.21072	0.4
283.02487	1.0
284.03253	72.1
285.04007	100.0
286.04388	7.1
297.04288	0.6
306.88553	0.3
327.05032	0.5
428.50049	0.4
447.09283	53.7
448.09674	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	447.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	5.1
63.02265	0.4
63.67636	0.2
65.00202	0.8
68.99674	0.3
71.01261	1.0
71.28018	0.3
71.28372	0.3
73.02830	0.2
83.01264	0.8
85.02831	0.5
89.02321	0.9
93.03346	1.3
101.02324	0.8
105.10957	0.2
107.01276	2.6
109.02823	0.4
111.00829	0.2
113.80415	0.2
116.45360	0.2
117.75044	0.2
119.03379	0.3
119.04886	1.1
120.05283	0.4
121.02845	0.5
123.04422	0.5
132.02084	0.4
133.02844	7.3
134.03476	0.2
135.04474	0.2
137.02376	0.5
143.03444	0.2
148.01453	0.2
149.02348	2.0
150.03123	1.5
151.00269	4.5
151.03519	0.3
152.00577	0.5
155.03375	1.2
155.10704	0.8
156.10951	0.2
160.00044	0.2
161.02393	1.1
162.02652	0.3
163.04002	0.4
165.05476	2.1
166.05847	0.4
169.06610	0.2
171.04387	0.4
173.04492	1.6
174.04765	0.3
175.03920	2.7
177.01736	0.2
179.03352	0.3
183.04475	0.2
191.05525	3.3
197.05957	0.4
199.03934	2.2
199.09543	0.2
200.04652	0.5
201.01816	0.7
211.03960	0.4
212.04648	0.3
213.05525	0.6
215.03479	0.4
217.05042	1.5
225.07576	0.3
227.03450	0.8
239.03569	0.3
241.05035	0.9
241.10707	0.2
243.02890	0.8
246.10442	0.2
255.02933	0.8
256.03714	3.2
256.09567	0.2
257.04443	0.4
267.02960	0.4
267.08984	0.3
267.58777	0.4
271.02362	0.6
281.06671	0.2
283.02417	0.4
283.07358	0.2
284.03259	20.8
285.04037	100.0
286.04385	7.1
288.09375	0.4
288.59332	0.7
300.02750	0.3
327.05063	0.4
329.83670	0.3
336.07993	0.3
352.00122	0.2
368.74887	0.2
447.09302	40.8
448.09589	4.6
448.15234	0.3
452.91953	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31334	0.5
54.58996	0.5
57.03308	0.6
59.01250	19.3
63.02268	1.2
65.00202	1.5
68.99662	0.8
69.03323	0.6
71.01253	4.1
73.02837	0.7
83.01292	1.3
85.02835	5.6
87.00750	1.0
88.09126	0.5
89.02315	5.6
93.03320	3.0
95.01281	1.0
101.02309	4.6
107.01276	3.6
107.01939	0.5
109.02821	1.0
111.04384	0.7
113.02332	1.6
114.23627	0.6
119.03396	2.2
121.02827	1.1
123.04399	1.1
127.03905	1.3
133.02850	4.4
134.03616	0.8
149.02339	1.8
149.99484	0.8
151.00262	7.3
155.03429	2.8
158.48558	0.5
161.04445	0.7
163.00246	0.8
165.05693	0.6
173.04469	1.3
174.03111	0.6
175.03914	2.0
178.99744	0.7
179.05550	1.0
181.05180	0.6
185.05972	1.8
191.05539	46.5
192.05905	1.8
198.03128	0.6
199.03932	1.9
209.06093	1.5
211.03932	2.1
211.07564	2.7
213.11330	1.4
217.04942	0.9
225.07539	0.7
227.03476	6.3
229.04939	0.9
229.08501	0.7
229.20773	0.8
239.03439	1.2
243.02994	0.9
255.03017	10.2
255.06511	4.9
256.03659	5.2
256.06567	0.8
271.02454	5.9
272.02905	0.8
273.07697	0.8
283.02582	1.3
284.03247	59.8
285.04007	100.0
286.04376	8.0
300.02737	9.3
301.03500	7.8
302.03891	0.7
315.14569	2.7
327.05087	1.0
387.19968	0.7
447.09268	80.1
448.09494	9.7
448.15326	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	77.9
61.35733	3.9
68.01281	13.4
68.99660	5.4
69.03320	19.4
69.55317	31.1
71.01255	52.2
72.99190	22.8
75.00751	4.9
81.03292	7.5
82.02870	5.0
85.02810	22.3
87.00758	13.7
89.02313	50.8
93.03331	11.0
94.02819	4.4
95.01247	6.6
95.04909	4.6
96.02966	3.7
97.02823	21.2
98.02358	10.9
100.03405	4.0
101.02324	26.9
107.04896	11.8
109.02811	11.8
110.02348	4.1
113.02370	20.5
113.02984	3.8
119.03392	18.5
121.02836	15.8
121.06446	9.5
123.04392	24.7
126.01825	5.7
134.03613	14.0
135.04457	10.4
136.03912	9.7
137.02316	5.7
137.05928	7.5
138.05516	4.8
139.03847	4.9
145.02850	5.1
146.06062	4.9
147.04424	8.9
149.05966	15.4
151.03888	13.7
160.03970	11.8
163.03905	6.3
165.05449	12.6
177.05492	49.7
178.05127	4.3
179.05492	13.4
186.05505	14.9
192.06615	6.8
193.15033	3.9
195.06520	6.1
204.06604	35.0
222.07610	11.1
240.65793	3.8
266.06668	13.4
270.59644	4.3
401.10779	8.1
419.11868	14.9
446.13055	100.0
447.13260	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02047	0.9
55.01757	1.0
57.03316	1.5
58.00454	1.9
59.01247	100.0
69.44865	2.1
69.45278	5.2
71.01248	29.7
72.99144	1.1
73.02795	5.6
83.01250	2.1
85.02815	8.8
87.00739	1.3
89.02319	13.7
97.02828	2.3
98.20573	2.1
99.00725	3.1
99.65986	1.2
101.02321	17.9
108.05720	1.4
113.02326	16.2
113.05920	1.4
117.84541	1.0
119.03378	6.2
120.86300	1.1
123.08026	1.7
125.05961	2.4
138.06734	7.4
139.07504	3.2
143.03403	2.6
151.07527	8.6
152.08325	14.8
153.09113	42.4
154.09428	3.0
159.02869	3.4
161.04459	22.3
179.05495	4.0
205.12279	18.6
205.14116	2.0
206.12598	1.0
208.57130	1.0
223.13322	23.4
224.13658	1.6
385.18658	38.9
386.18884	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	445.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48643	0.6
59.01252	100.0
60.01603	0.7
60.62233	0.6
61.98714	0.9
67.95544	0.6
70.82885	1.2
78.95774	12.2
91.03899	2.4
96.96846	1.2
135.58974	0.7
152.99489	20.8
171.00623	1.2
191.05603	1.2
197.21243	0.6
211.13423	1.9
255.03087	1.0
283.02673	1.0
293.21365	1.6
311.22290	11.7
312.22772	1.1
391.46201	0.6
445.21121	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50109	0.7
59.01249	100.0
61.98703	1.3
69.23547	0.6
71.01247	1.6
71.37289	1.1
78.95780	3.9
80.57055	0.7
82.07571	0.6
84.23128	0.6
91.03875	2.7
96.95916	1.6
101.02324	0.8
121.02904	0.9
137.02431	0.7
150.59625	0.6
152.99495	6.5
191.05670	0.7
211.13248	1.2
223.35806	0.7
232.31996	0.6
255.03029	4.8
283.02573	2.9
293.21313	1.0
311.22272	14.5
312.22754	1.2
385.18591	0.9
446.08566	0.8
468.42905	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07482	2.1
58.00459	5.1
59.01254	100.0
62.82845	2.3
66.48392	2.3
68.01292	3.4
68.99680	2.9
69.03328	23.5
70.77333	5.6
70.77679	3.6
71.01253	41.8
72.99181	13.6
73.02805	2.5
83.01252	5.8
83.47274	2.2
85.02804	15.6
87.00751	7.3
89.02316	47.5
93.03338	6.3
95.01266	7.2
95.04905	11.6
97.02834	9.7
101.02330	26.9
107.04876	16.5
108.04457	6.3
109.02845	5.2
111.04407	4.7
113.02325	20.6
118.93716	2.4
119.03419	18.6
119.04858	4.9
121.02832	6.9
123.04442	7.4
125.05972	4.6
126.05502	6.1
130.06548	4.0
131.03448	4.4
134.02379	48.1
134.06113	2.6
135.04408	7.5
137.05847	3.7
139.00247	5.6
139.03854	3.1
139.50220	2.3
143.03381	4.2
144.04427	17.5
148.07594	7.9
149.05934	3.5
151.03937	3.0
155.03503	3.7
158.70718	2.6
160.07573	10.0
161.04454	5.0
162.05568	2.7
163.03990	3.8
174.05515	11.0
177.05467	7.6
178.05002	2.4
178.08658	7.8
179.05563	9.1
179.07056	2.4
186.05511	3.3
191.05547	11.1
204.06628	30.6
205.06960	3.4
210.75497	2.4
218.34956	2.3
219.25514	2.4
222.07648	16.3
225.07645	3.4
240.08760	2.8
266.06729	11.6
273.07639	5.9
292.33286	2.5
402.14169	17.1
428.11865	13.0
446.13065	91.2
447.13519	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	445.1141
Annotation	5,8-Dihydroxy-3,7,2',3',4'-pentamethoxyflavone 8-acetate
Peak:m/z	Relative Intensity
50.90147	0.5
51.73456	0.4
59.01255	8.5
62.66151	0.5
65.95923	0.5
67.01754	0.4
69.03339	1.1
71.01244	1.6
71.51205	0.5
71.51579	0.6
81.03347	1.5
84.12574	0.4
85.02823	1.5
86.73480	0.4
89.02323	1.1
93.03305	2.1
95.01263	1.4
97.02844	0.7
100.10191	0.4
101.02322	0.8
107.01251	0.4
108.02054	100.0
109.02865	25.9
113.02310	0.7
121.02855	1.2
122.18900	0.6
123.00698	1.0
123.04376	0.6
125.02303	1.0
133.02846	1.7
135.00764	1.7
135.04407	1.1
135.96797	0.5
147.04433	2.5
151.00272	0.5
151.03915	1.7
152.01057	76.4
153.01845	27.9
153.98170	0.4
154.02185	1.1
155.03307	0.5
161.02390	1.1
163.03954	0.8
165.01837	1.2
167.08569	0.5
173.04478	1.2
177.01794	0.4
179.03354	0.5
183.08083	1.7
191.05544	3.4
195.08096	1.0
197.05992	1.2
209.11798	0.5
210.06812	0.9
211.07603	2.5
221.05975	0.9
225.03955	0.7
238.06258	0.6
239.07098	8.5
255.00264	0.8
255.02965	15.1
256.03452	0.5
281.08096	0.5
283.02451	9.5
284.03262	1.3
285.03851	0.6
296.03195	1.1
297.06305	0.6
445.11377	84.0
446.11670	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	445.1351
Annotation	Bungeiside D
Peak:m/z	Relative Intensity
58.00443	1.9
59.00998	1.7
59.01254	21.5
68.99680	1.3
69.03332	8.8
71.01257	11.7
71.27463	2.8
72.99179	25.0
81.03315	1.5
85.02802	2.6
87.00744	1.4
89.02311	11.8
89.58721	1.2
93.03314	2.2
95.01291	1.4
95.04900	10.8
95.41166	1.3
101.02291	7.5
107.04900	10.0
109.02834	9.6
109.06425	1.5
113.02330	3.3
119.03373	3.1
119.04924	1.6
121.06465	3.8
123.04402	6.7
123.61063	1.2
133.06516	2.3
137.02306	1.3
137.05988	2.4
139.03914	16.4
141.06981	1.2
145.06493	1.3
147.08061	2.9
149.09596	1.6
149.84181	1.1
151.03918	16.5
157.06487	2.5
157.22122	1.1
159.08073	2.9
164.38304	1.3
165.46396	1.3
169.05009	6.5
175.07561	2.9
177.08972	1.1
189.05476	1.5
191.05521	1.4
195.02870	4.1
203.06981	3.0
203.46788	1.3
211.09712	1.6
213.03998	9.4
221.08130	19.1
238.79483	1.3
239.09203	8.3
265.07159	5.7
307.46606	1.3
401.14728	6.9
445.13446	100.0
446.13782	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	445.135
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73247	0.6
58.00447	0.9
59.00956	1.1
59.01252	19.9
60.61754	0.6
69.03329	8.0
71.01249	12.0
72.99183	18.6
73.14204	0.5
81.03339	0.8
83.01250	1.6
85.02818	2.7
87.00764	1.5
89.02326	8.9
92.24657	0.6
93.03310	1.4
95.04907	9.6
97.02840	1.6
101.02316	6.5
107.04910	8.3
108.02012	1.3
109.02865	3.0
109.06522	0.7
113.02335	3.1
119.03358	2.1
119.04916	2.3
121.06478	3.0
123.04388	5.2
130.55609	0.7
131.08562	0.6
133.06473	2.3
137.02278	1.5
137.05937	1.4
139.03912	13.6
145.06572	0.7
147.08081	2.9
149.09555	0.7
151.03899	13.3
157.06476	1.8
159.08032	1.9
167.03348	0.7
169.04977	5.5
174.50816	0.6
175.07542	1.7
177.05513	1.8
177.09138	1.5
179.05467	0.7
191.05566	0.8
195.02890	2.8
203.07082	1.9
211.06261	0.6
211.09691	2.2
213.03989	8.6
214.04352	0.8
221.08138	16.0
229.20337	0.7
239.09233	9.6
265.07181	4.5
401.14526	3.5
439.19247	0.7
445.13486	100.0
446.13705	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	443.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91456	1.2
57.62647	1.1
59.01252	100.0
61.98704	3.3
71.01249	1.3
71.51597	1.3
71.72913	1.2
91.03895	4.6
93.03333	1.9
96.95881	7.5
111.07993	1.9
181.72459	1.5
191.05583	9.6
197.11784	5.8
226.05000	1.4
291.19714	4.1
309.03174	1.3
309.20657	14.2
341.11093	3.0
395.60898	1.3
443.24146	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	443.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	1.7
59.01255	4.5
61.98687	1.0
67.01768	0.9
69.03325	2.0
71.01254	26.5
71.04913	0.5
72.99185	8.2
75.94696	0.5
76.13977	0.4
78.95761	0.4
83.04895	0.8
85.02824	7.1
87.00770	0.7
89.02318	0.7
90.98484	0.6
93.03346	3.5
97.02818	0.9
97.06487	2.1
99.04382	0.8
101.02328	1.2
111.04414	0.6
115.00263	8.3
119.04944	0.6
121.02881	0.6
123.04405	0.5
125.09594	0.8
127.11156	1.1
128.50386	0.5
133.01318	3.2
133.02852	3.0
134.03601	0.6
135.04404	3.8
136.04686	0.6
137.02341	0.7
137.09602	1.8
152.99500	0.7
155.10701	0.9
161.02356	5.3
162.02637	0.6
163.03886	0.7
165.12766	0.5
167.14330	0.6
171.10181	18.9
173.04486	1.6
176.03877	0.6
177.12845	0.7
178.02531	0.7
179.03465	2.6
183.13812	1.5
185.11868	0.6
191.05553	6.1
193.12308	0.5
195.83553	0.5
197.11748	0.7
201.11285	0.6
209.11830	1.1
211.13356	10.3
212.13637	0.9
221.11768	2.2
229.14427	7.8
230.14728	0.6
233.43221	0.4
239.12866	1.2
247.20763	0.7
287.10446	0.6
291.19650	2.0
307.19077	1.1
309.20810	1.1
312.44498	0.5
325.20331	0.6
327.21768	100.0
328.22083	10.9
335.07761	0.5
423.42496	0.4
425.21524	3.6
443.22928	5.9
444.22787	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30232	0.6
59.01250	100.0
60.07468	0.6
60.72374	0.6
60.75552	0.6
61.98703	2.2
66.61122	0.6
71.01265	0.9
71.50494	1.2
78.95776	1.4
87.00752	1.0
91.03875	1.5
96.95882	10.7
99.92481	1.3
111.08068	1.5
123.97385	0.7
135.04427	0.9
136.78642	0.6
148.52853	0.7
152.99504	0.8
161.87108	0.7
191.05519	5.3
197.11729	4.2
207.10172	0.8
207.70825	0.7
211.13481	0.8
234.82942	0.7
248.96712	0.6
259.76437	0.7
291.19678	3.2
309.20724	7.8
341.10971	1.0
369.91458	0.8
443.19937	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64228	0.5
51.67876	0.5
52.28690	0.6
57.07980	0.6
57.39695	0.6
59.01249	100.0
60.01598	1.1
61.98696	0.8
65.13233	0.6
70.07902	3.2
78.95793	1.8
89.02289	0.7
93.03362	0.8
135.04427	1.1
152.99504	4.7
157.95241	0.7
173.04518	0.8
176.04045	0.7
191.05530	3.6
209.11841	0.9
291.19604	3.1
309.20602	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	443.1921
Annotation	Mitoxantrone
Peak:m/z	Relative Intensity
57.03312	1.6
58.00463	2.1
59.01253	29.2
68.92016	0.9
69.03335	2.1
70.99313	2.4
71.01250	24.3
72.99152	1.8
73.02805	3.6
83.01243	4.0
85.02820	6.8
87.00745	1.1
89.02312	17.1
93.00900	0.8
95.01263	2.4
95.24075	1.0
99.00775	1.4
101.02322	19.4
110.75524	0.9
113.02337	9.8
119.03388	7.1
139.03831	1.2
149.04529	1.2
161.04453	1.4
189.12807	1.5
219.13852	1.3
237.14908	1.1
283.17838	0.9
327.10284	0.9
330.57523	0.9
342.74741	1.1
407.99017	1.3
443.12555	4.9
443.19165	100.0
444.19565	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	443.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
58.28464	1.4
59.01247	41.2
61.98697	6.6
67.46949	1.4
69.98664	6.4
71.01261	21.8
84.95426	1.4
85.02828	3.5
85.52371	1.5
86.59345	1.5
87.00733	3.1
89.02309	31.9
90.62305	1.9
93.03411	1.5
96.95835	1.7
97.37778	1.4
101.01730	1.9
101.02308	8.9
113.02307	7.2
119.03368	6.9
131.03377	2.1
137.02347	2.2
138.12866	1.8
142.78423	1.6
147.08127	2.0
151.11206	2.0
163.11153	3.0
165.12743	21.0
166.13060	1.8
173.04390	1.9
178.80956	1.5
179.05493	6.7
189.12813	2.3
191.05537	7.9
191.14365	7.5
207.10249	2.9
219.17439	7.6
222.89458	1.5
235.75291	1.5
245.15392	2.6
263.16507	100.0
264.16895	8.6
309.20743	2.0
461.46271	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	442.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28435	3.9
52.66176	4.1
55.73796	3.9
59.01252	60.7
65.99724	4.1
67.01768	24.1
68.01287	80.7
68.99680	26.9
69.03313	17.1
71.01250	53.2
72.99170	7.2
85.02814	13.2
87.00747	25.7
89.02318	41.5
95.01251	6.8
95.04902	100.0
96.05241	7.9
98.02361	37.5
98.19751	8.1
99.00754	8.2
101.02331	76.3
103.65190	3.9
106.02872	5.3
110.02368	23.9
111.00772	23.7
113.02357	23.8
114.02692	4.3
115.02758	4.4
117.01821	5.1
119.03403	20.9
121.02844	61.1
121.06520	4.8
122.02368	6.0
122.03185	10.3
123.04406	16.1
125.02317	10.1
127.03902	73.8
128.03426	13.5
133.13519	4.8
134.05991	7.6
135.04352	8.6
139.00259	49.5
139.03900	12.0
140.03416	10.2
143.03389	5.2
149.02347	7.6
158.04504	7.7
160.03957	45.7
161.04445	7.4
164.03448	4.6
165.05457	17.4
166.05862	6.3
176.07051	4.7
179.05490	13.4
180.05876	4.2
181.04971	7.6
192.02931	24.1
209.04485	6.9
218.08394	6.4
223.05933	12.4
224.06349	6.8
241.07150	20.3
251.22061	4.7
262.07175	24.9
302.58759	4.5
322.09149	5.4
329.72971	4.9
372.10291	5.7
383.09662	8.2
404.12839	8.6
410.10724	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	443.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00162	1.5
53.27201	1.1
55.01752	1.2
57.03302	2.8
58.00455	4.4
59.01248	100.0
60.01582	1.2
67.01778	2.3
67.05397	1.0
69.03322	71.6
70.03656	1.6
71.01250	45.4
71.27973	2.6
72.99173	3.0
83.01260	3.0
85.02811	9.9
87.00741	13.0
89.01759	1.8
89.02315	35.6
93.03319	6.5
95.01250	3.3
95.04897	62.3
96.05215	1.3
97.02785	1.0
101.02318	20.8
106.04135	1.9
109.06502	1.3
109.99577	1.1
113.02316	18.6
119.03385	11.4
119.04911	2.7
121.02866	8.3
121.06470	14.6
123.04414	4.5
129.06998	5.2
131.03401	1.3
132.05661	2.9
133.06430	1.7
137.05959	1.4
139.03896	29.4
143.03349	1.4
145.06482	3.7
147.08073	12.8
147.10216	0.9
149.02338	1.9
149.05988	1.5
157.06502	1.6
165.01865	2.9
165.09105	3.8
167.03400	2.4
173.05954	3.0
175.07578	3.4
191.07028	8.7
193.01340	3.7
201.05536	1.2
211.02451	5.0
219.06534	5.3
223.15462	1.2
263.05573	2.2
371.13452	1.4
399.13062	3.9
443.11923	68.0
444.12314	9.1
466.88345	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	0.7
61.73277	0.4
61.98692	0.7
69.15549	1.1
69.15965	3.8
71.01257	1.8
75.77196	0.4
87.00735	0.8
89.02316	12.1
91.10255	0.4
101.02306	0.6
103.15593	0.4
109.02855	0.4
111.41876	0.5
118.80013	0.5
119.04916	98.9
120.05252	4.0
124.31048	0.4
127.03874	0.4
133.04967	8.7
143.18912	0.5
163.03917	100.0
164.04272	4.5
225.48944	0.4
268.42566	0.4
270.72745	0.5
307.08246	2.8
325.09250	4.8
441.13000	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14458	0.8
53.30365	0.7
55.01735	1.6
56.17788	0.8
57.03307	2.3
58.00463	4.1
59.01250	100.0
69.03344	0.9
71.01251	67.2
71.50897	1.4
72.01578	1.3
72.99189	4.2
73.02812	3.6
76.57754	0.8
80.96365	0.9
83.01250	4.4
85.02824	17.4
87.00753	3.9
89.02316	58.5
90.02629	0.8
93.03329	3.7
95.01269	3.9
96.95898	0.9
97.02824	1.6
99.00741	2.2
99.04395	1.2
100.83344	0.9
101.02320	43.3
107.04909	1.6
109.02827	8.6
111.04408	2.2
113.02327	23.4
119.03384	29.6
121.06454	1.8
122.03617	1.1
123.04427	2.0
124.05211	1.9
131.03371	2.3
133.02858	1.2
133.06490	13.4
135.04410	3.1
136.05229	1.0
137.02359	1.3
137.05968	2.5
137.15521	0.8
139.07541	15.7
143.03371	3.8
147.04427	2.6
149.04626	1.7
149.05965	4.4
150.06693	1.3
151.07507	1.0
155.03348	1.1
159.02921	1.3
161.02354	2.3
161.04480	9.5
161.05846	1.3
163.07538	1.4
169.08592	2.9
173.04448	4.0
177.01810	1.0
179.03392	1.6
179.05508	3.4
187.11308	1.1
191.05533	12.4
199.11342	1.0
202.09895	0.9
204.11494	1.8
205.12221	4.8
217.12247	4.4
235.13335	2.2
252.10291	0.8
261.11346	1.7
267.15875	2.3
313.43213	0.9
330.13190	29.3
331.13968	16.6
332.14392	0.9
362.12204	1.1
397.18637	5.0
398.19385	1.2
440.63220	1.0
441.17648	91.2
442.18106	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	441.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	2.3
57.03307	3.3
59.01248	31.4
61.98711	4.0
68.99644	1.6
71.01251	36.8
71.50733	2.2
71.51159	1.9
73.02812	13.5
83.01236	8.9
85.02818	18.8
87.00729	2.2
87.46889	1.7
89.02317	18.3
93.03334	5.0
95.01218	2.1
97.02816	2.1
99.00748	5.9
101.02321	37.7
108.02074	5.8
109.02816	5.0
113.02336	16.5
119.03500	3.6
119.04916	100.0
120.05260	5.1
121.02972	1.8
123.04364	2.2
125.02314	2.5
127.03883	2.4
133.04958	7.2
135.04462	1.8
152.01027	6.8
153.01988	2.0
153.05681	1.7
155.03429	2.5
159.02863	3.1
161.04497	13.1
163.03912	85.6
164.04301	4.3
173.04451	2.9
191.05528	10.7
249.13406	75.4
250.13802	4.4
307.08200	2.6
318.50156	1.9
325.09299	1.8
381.17679	56.1
382.17929	4.3
397.11227	8.3
441.12003	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	441.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
58.30027	1.1
59.01257	10.5
61.98706	1.4
69.03349	1.8
71.01258	61.3
71.65780	1.2
72.99191	17.7
78.95754	2.3
81.03345	1.9
83.04900	4.8
84.02057	1.5
85.02799	2.2
87.00732	2.0
88.98666	4.0
89.02331	1.8
89.56741	1.2
90.10033	1.2
93.03339	2.1
97.06481	2.0
99.04434	2.6
99.08022	1.6
101.02331	1.7
109.06538	1.3
115.00271	24.3
115.07518	1.7
116.92750	1.5
123.08044	1.5
125.02327	1.1
125.09621	4.0
127.07552	8.5
133.01337	15.0
135.08023	2.9
137.09613	1.6
141.09138	1.5
153.09119	12.6
155.10707	2.0
155.78065	1.1
163.11195	3.2
165.12755	3.5
171.10204	15.7
173.04428	2.0
178.09949	3.3
181.12311	1.4
185.11746	12.0
186.12132	1.4
191.05588	3.6
191.10768	1.7
191.14337	2.8
197.11789	14.4
205.63519	1.1
206.81281	1.2
207.10149	1.8
209.11787	53.5
210.12083	2.0
218.73772	1.1
231.73152	1.5
233.11568	2.6
238.12064	3.2
245.19138	3.9
249.13527	1.2
256.13092	1.4
263.19992	1.2
279.19681	1.4
289.18076	9.4
293.21362	2.8
307.19162	100.0
308.19513	7.8
325.20206	87.2
326.20639	5.8
351.21814	1.8
423.20215	6.8
441.21347	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1167
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46006	1.2
59.01250	11.6
61.98683	2.5
68.56738	1.5
68.72846	1.5
68.99674	2.1
69.03324	1.5
70.12796	1.2
71.01257	8.4
71.50739	1.4
81.03275	2.4
84.68542	1.2
85.02821	2.9
87.00767	1.7
89.02309	15.5
93.03331	3.0
95.01254	2.1
96.95888	2.6
101.02319	7.5
108.02042	1.4
109.02831	2.8
113.02313	3.3
119.04916	88.6
119.78263	1.4
120.05222	4.0
127.03895	1.9
133.04951	8.1
135.04352	2.7
137.02396	1.8
151.11162	1.4
153.01830	1.4
155.03307	3.3
163.03920	100.0
164.04242	4.7
173.04451	4.8
179.07059	1.9
191.05496	3.9
199.11183	1.4
217.12260	7.6
231.31598	1.6
235.13350	3.4
307.08362	2.4
325.09238	5.4
430.35764	1.5
441.12314	4.5
441.17590	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	439.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	3.6
61.98690	1.2
70.37861	2.0
70.38235	1.0
71.01244	2.8
72.99160	0.8
73.02802	1.1
77.81635	0.6
78.95790	1.3
79.96077	0.7
85.02853	1.1
87.35384	0.7
89.02312	3.0
93.03336	2.7
95.01202	0.7
96.95869	1.6
96.96898	0.8
98.20477	0.7
101.02342	2.1
109.02820	1.0
113.02290	0.9
116.96748	0.6
119.03394	0.7
120.72829	0.5
121.02843	2.4
122.03618	8.2
133.02884	1.0
136.01532	0.9
137.02342	3.5
149.02347	15.0
150.03127	75.1
151.03529	2.6
152.99362	0.6
153.92558	0.6
161.04398	0.9
164.04652	3.6
165.01840	25.3
165.05478	76.9
166.05792	2.7
179.03468	0.8
180.04196	24.2
180.05779	1.4
181.04523	1.3
183.06535	0.6
191.05524	3.0
195.06549	100.0
196.06918	4.9
243.08701	1.8
247.11868	2.0
288.53604	0.7
379.15985	1.7
391.13898	1.3
439.16428	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	88.8
63.69613	5.5
68.87751	5.5
71.01252	60.6
73.02831	7.4
78.60432	5.2
85.02826	18.9
89.02321	100.0
98.19779	13.9
101.02322	36.6
113.02327	23.0
119.03400	25.3
131.03406	20.7
146.03737	5.8
149.04457	51.8
150.03133	20.3
157.07149	6.5
165.01823	10.2
165.05476	24.6
166.64632	6.1
179.05518	39.1
191.05577	34.2
192.28209	5.5
195.06555	51.4
206.13925	5.8
247.11874	37.7
258.43848	6.2
379.16110	88.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	7.4
57.03313	3.5
58.00459	2.1
59.01250	45.9
69.03345	2.3
71.01254	64.6
71.51806	1.8
72.01585	1.1
72.99181	5.3
73.02821	31.7
75.00765	2.2
78.95821	1.2
83.01257	16.4
85.02821	36.3
87.00749	6.1
89.02319	17.9
90.94196	1.1
93.03325	4.2
95.01262	4.7
96.95885	3.9
97.02830	3.5
99.00750	13.4
101.02318	59.6
102.02650	2.2
109.02869	1.2
111.00758	5.4
111.04399	1.4
113.02324	27.7
115.03889	2.5
121.02810	1.3
125.02334	3.2
127.03858	1.8
129.01869	1.5
131.03419	4.4
137.02356	1.6
138.03067	1.1
140.92036	1.1
143.03404	3.2
145.12247	2.3
149.02350	2.2
149.04449	4.2
150.03127	3.4
153.01855	2.7
155.03513	1.2
159.02879	6.6
161.04468	18.3
162.04977	1.2
165.05472	2.9
173.04495	2.3
175.03996	2.4
185.11754	7.2
191.05544	44.9
192.05899	2.3
193.46684	1.2
195.06567	3.7
233.06523	3.3
241.57370	1.3
307.17609	100.0
308.17963	6.5
391.13928	1.5
439.12415	4.6
439.21808	95.2
440.22125	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	439.161
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32457	0.6
59.01259	3.8
65.33308	0.6
69.03336	0.6
71.01251	1.8
71.50362	1.1
73.02802	0.6
73.54619	0.6
78.11347	0.6
78.95760	0.7
85.02804	2.3
87.00778	0.7
89.02311	2.0
93.03326	2.7
95.01235	0.7
96.95883	0.8
101.02312	2.0
109.02831	1.0
111.00709	0.7
113.02290	1.2
115.07541	0.6
121.02835	2.6
122.03605	8.9
133.02870	1.4
136.01573	0.9
137.02333	3.7
149.02342	13.1
149.04330	0.7
150.03127	63.8
151.03532	2.3
161.02350	1.0
164.04678	2.7
165.01845	25.3
165.05478	76.5
166.02255	0.9
166.05843	3.0
173.04445	0.8
179.03360	1.4
180.04196	24.2
181.04497	1.7
189.01886	2.0
191.05510	7.9
195.06552	100.0
196.06920	5.5
220.08289	0.7
234.82166	0.6
242.92964	0.6
243.08662	1.4
247.11801	1.5
277.06174	0.7
379.16061	1.9
391.14142	1.6
408.31509	0.7
439.16550	1.2
462.23456	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	2.3
61.40189	0.4
67.01743	0.7
69.03338	1.0
69.67876	2.3
71.01249	1.3
73.09342	0.4
75.59766	0.4
78.95780	1.7
79.95594	1.3
80.96400	0.5
83.04904	0.5
85.02827	1.7
87.00745	1.0
93.03371	2.7
96.95915	1.3
96.96825	0.5
101.02335	0.8
113.02334	2.6
119.04921	85.2
120.05254	3.6
121.02821	0.6
129.35800	0.4
135.04453	0.9
137.02351	0.6
148.25217	0.5
150.05479	0.6
152.99475	1.0
160.05157	0.5
161.02353	0.7
163.03925	100.0
164.04265	5.2
173.04469	4.1
191.05548	14.0
192.05882	1.0
241.01125	0.8
269.96274	0.5
281.98184	0.5
325.09247	6.9
329.14090	0.6
353.14075	0.7
406.16104	0.8
439.10535	2.3
440.13324	1.0
441.06796	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	439.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	6.6
61.67805	1.0
61.98697	10.6
65.05367	1.3
69.17208	13.2
71.01252	4.4
72.58067	1.1
73.02813	1.8
81.03323	1.5
85.02837	1.5
89.02324	3.7
93.03326	2.3
97.06488	2.4
101.02309	4.1
107.04961	2.6
109.02881	1.5
109.75375	1.1
111.00775	1.5
113.02334	2.1
121.02846	3.9
122.03649	7.1
123.04423	3.0
134.85435	1.0
135.04413	5.0
136.01500	1.5
137.02327	4.8
137.05910	1.2
139.00275	2.7
149.02342	16.9
150.03136	44.6
150.04330	2.2
151.03731	2.5
155.97630	1.1
157.96753	1.1
164.04726	5.7
165.01834	29.1
165.05478	59.5
166.02472	1.5
166.05794	2.3
167.03346	1.4
180.04179	30.6
181.04779	1.3
183.74767	1.1
188.59296	1.3
191.05505	4.3
195.06551	100.0
196.06912	4.8
197.04463	1.9
243.08745	7.7
301.07172	2.7
316.09305	2.1
331.11746	6.6
379.16016	1.7
391.13870	10.8
420.46951	1.4
439.16779	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08061	0.5
55.96298	0.6
56.86579	0.5
56.87925	0.5
59.01256	5.9
67.01758	0.6
69.03320	1.2
71.01250	2.5
71.50301	0.7
71.50689	1.0
72.98190	0.6
72.99176	0.8
73.02821	1.8
78.95782	1.5
83.01256	1.2
85.02821	1.0
89.02310	1.6
93.03341	1.6
95.01273	0.7
95.04926	0.7
96.96858	1.3
97.06465	1.7
99.04452	0.7
101.02325	3.1
102.76770	0.5
107.04907	1.8
109.02850	1.6
111.00739	1.2
111.04375	0.9
113.02304	0.6
121.02850	3.3
122.03629	6.1
123.04391	1.8
123.12312	0.5
125.06013	0.7
135.04420	2.4
136.01509	0.8
136.91592	0.6
137.02351	4.8
137.06001	0.7
139.00296	3.2
145.01379	0.9
149.02344	18.3
150.03133	48.3
151.03799	2.1
153.01772	0.9
153.05522	1.3
164.04683	5.5
165.01851	25.5
165.05487	57.8
166.02214	0.9
166.05830	2.2
169.04915	1.8
171.00587	0.9
177.01912	0.7
179.03334	1.1
180.04198	24.7
181.04791	2.1
191.05569	3.6
195.06563	100.0
196.06903	4.8
197.04483	1.7
243.08743	2.9
301.07068	2.4
316.09631	1.9
331.11844	8.5
332.12292	0.7
391.14023	13.9
392.14175	1.3
406.90427	0.6
439.16415	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	439.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
61.85202	0.5
62.66930	0.5
70.84583	1.2
78.95774	46.4
96.95922	16.0
96.96838	100.0
118.48098	0.5
126.24530	0.5
129.86865	0.5
138.63586	0.5
389.74896	0.6
439.08798	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	439.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
57.72367	9.7
59.01249	89.1
67.01756	13.9
69.03327	35.7
70.84508	10.1
70.98910	22.9
71.01261	48.4
73.02813	42.6
83.01257	34.6
85.02831	13.7
89.02312	31.7
92.94788	10.7
93.03325	15.6
93.32428	9.1
95.04893	14.6
97.02801	10.7
97.06489	73.4
101.02319	84.3
107.04910	49.9
109.02831	40.8
109.06476	12.3
111.00769	25.7
111.04407	10.7
113.02288	14.5
119.03389	18.2
123.04414	36.4
125.05960	27.8
125.34904	9.2
127.03887	27.8
135.04399	96.8
137.02309	15.1
139.00259	100.0
145.01324	31.6
150.03123	26.1
151.03894	11.2
152.12991	11.4
153.01863	22.1
153.05469	22.0
155.03363	14.1
165.05493	37.9
169.04918	32.2
179.03357	13.2
180.04204	15.9
192.30269	13.0
195.06554	49.0
197.04489	45.6
241.03430	11.8
363.68826	13.2
391.14090	18.3
424.73392	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	437.1104
Annotation	Fortuneanoside J
Peak:m/z	Relative Intensity
57.03356	0.6
59.01237	2.5
61.00934	0.5
69.03326	0.5
71.01249	2.0
72.99175	1.4
73.02858	0.7
75.00746	6.5
78.95746	0.7
83.01266	0.7
85.00897	0.5
85.02828	1.4
87.00769	0.7
93.03338	3.0
96.95868	0.9
96.96846	1.1
99.00761	2.5
101.02346	0.7
103.00250	4.6
109.02833	1.0
111.00757	10.6
111.01476	0.7
111.04395	1.1
112.98689	10.2
113.02342	0.7
115.00263	1.2
117.01797	0.6
124.98727	0.7
129.01828	1.1
137.02368	0.8
142.99762	5.5
145.01361	1.6
154.99794	0.5
155.03438	0.8
165.01883	0.6
171.01025	0.6
173.00883	3.2
173.04489	1.1
187.02463	0.5
191.05562	2.0
199.04128	2.7
211.70206	0.5
217.05193	18.5
218.05542	0.6
229.13231	0.5
231.02995	0.9
259.06393	1.4
261.04614	0.5
262.06381	0.5
263.05841	1.1
289.03696	6.5
289.06836	0.6
290.04446	0.5
290.16592	0.5
301.07373	0.9
317.06900	2.5
345.06381	4.0
405.08630	0.8
437.11209	100.0
438.11609	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	437.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	6.2
59.01255	19.2
61.98693	6.5
65.03844	8.7
65.16378	3.4
69.03313	11.1
69.87029	18.9
71.01263	4.7
81.03348	4.8
83.04897	8.7
83.99789	4.1
85.02804	4.4
89.01283	3.4
92.13603	4.4
93.03328	7.6
95.04887	12.5
97.06458	5.5
105.06950	6.7
107.08543	5.4
109.06464	9.5
121.06565	4.0
125.09613	28.2
127.11197	5.7
135.08083	6.3
149.05988	6.3
149.09576	7.6
152.99498	4.4
159.11671	4.3
163.11234	14.4
165.12698	5.3
171.10182	100.0
175.69470	3.8
185.11726	6.5
187.14822	18.0
189.12720	9.2
191.05531	13.6
191.10738	4.4
192.05873	4.8
192.21378	3.6
197.11691	5.2
203.14307	23.4
207.10168	17.0
209.11726	18.2
211.13281	17.0
213.12854	6.5
219.13840	6.1
221.15430	4.0
225.11154	9.6
229.14407	18.9
231.13870	51.2
233.11818	5.3
237.14891	14.7
247.13263	17.5
249.14951	13.6
263.12830	7.0
265.14578	5.3
329.24683	5.3
334.19083	4.0
339.23276	5.0
357.24390	10.9
373.23694	12.3
383.22092	12.9
391.24701	9.8
401.23358	40.4
402.23810	9.5
409.25967	9.3
419.24213	17.5
437.25305	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	438.1254
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	5.8
61.98703	100.0
69.03342	1.5
71.01245	3.9
71.37708	2.8
72.99171	3.0
73.02847	2.4
78.95774	2.2
89.02311	3.3
90.84756	1.2
93.03332	1.7
96.36040	1.4
97.06444	2.5
101.02320	4.1
107.04890	2.1
109.02848	2.9
113.02347	1.6
122.03632	3.0
123.04385	1.9
125.06017	2.1
135.04408	4.5
137.02373	3.3
139.00284	2.6
149.02315	9.6
150.03130	17.9
163.04070	1.5
164.04652	3.0
165.01837	13.6
165.05464	19.8
178.73209	1.4
180.04234	10.2
191.05624	2.8
195.06557	37.6
197.04579	2.3
243.08754	4.4
320.10342	1.5
331.11758	2.6
391.14145	6.6
393.86795	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	435.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00468	0.7
59.01254	100.0
60.01585	1.2
61.98716	1.5
63.70156	0.5
67.01772	0.7
67.10989	0.5
68.99693	5.0
69.03334	10.1
70.36045	1.7
71.01259	12.8
72.99192	1.4
75.00763	0.8
83.01283	1.5
84.80645	0.5
85.02837	3.7
87.00748	1.1
87.72726	0.6
89.02319	18.7
89.49179	0.5
93.03362	2.1
97.02840	1.4
99.19603	0.5
101.02325	27.0
111.00787	4.1
111.04361	0.6
113.02333	4.4
119.03403	7.5
120.11189	0.5
131.03464	1.1
135.04434	1.0
143.03419	3.5
149.04532	1.0
161.04503	1.8
165.05542	0.6
173.04518	1.0
179.03506	0.7
179.05591	4.1
191.05553	13.9
192.05934	1.0
195.06607	0.5
197.86159	0.5
207.78249	0.5
213.07643	9.9
215.86465	0.5
261.04166	2.1
286.38232	0.5
328.35727	0.5
375.13159	0.9
435.09457	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	1.0
61.98705	100.0
63.01931	0.4
69.03343	0.7
69.49493	2.2
69.49895	1.1
71.01245	0.6
85.03715	0.5
89.02338	0.5
93.03384	0.5
117.08208	0.4
135.48737	0.4
154.11937	0.5
154.13162	0.6
175.35010	0.4
273.59113	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	5.8
59.48647	0.5
61.98692	0.6
69.01592	0.5
71.01272	0.6
71.50826	0.6
71.51224	0.6
72.16464	0.6
74.10721	0.6
74.11159	0.6
78.95780	4.6
93.03339	0.5
98.71838	0.5
117.03346	14.5
118.03632	0.7
119.04913	24.6
121.02831	1.6
145.02852	100.0
146.03200	4.1
152.99481	8.7
153.69110	0.6
163.03918	19.3
167.49901	0.5
173.79694	0.6
191.05577	1.0
201.32489	0.6
220.55998	0.6
269.21252	2.2
285.04089	0.6
287.22272	6.4
288.22650	0.6
433.25912	37.3
434.26349	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	433.2593
Annotation	Iriomoteolide 3a
Peak:m/z	Relative Intensity
54.71575	0.4
59.01247	4.4
69.81583	2.5
71.33683	0.5
78.95750	3.3
89.02277	0.5
89.35989	0.5
98.16987	0.4
98.19804	0.8
117.03347	16.3
118.03616	0.6
119.04908	24.2
120.05271	0.6
121.02837	1.9
133.02835	0.6
134.03635	0.5
145.02847	100.0
146.03178	4.1
152.99487	6.8
162.03160	0.5
163.03912	17.9
164.04239	1.1
170.19052	0.5
191.05479	0.7
268.03702	0.7
269.21213	1.8
274.72336	0.5
287.22275	8.1
288.22623	0.7
302.37659	0.7
412.34491	0.5
415.24673	0.7
417.06198	2.1
418.06622	0.7
433.09360	4.1
433.25909	39.4
434.09439	0.7
434.26193	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	435.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	6.6
69.18673	5.9
71.01257	1.9
73.02812	0.8
81.03348	1.1
83.01245	0.7
85.02827	3.2
87.00734	0.6
93.03331	64.3
94.03689	2.1
95.01267	1.6
97.02853	0.7
97.06462	0.7
98.20544	1.4
101.02316	1.1
108.02048	65.3
109.02852	25.4
113.02350	1.0
119.04894	0.6
120.34921	0.6
121.02856	1.5
123.00787	1.1
123.04420	0.7
135.04388	1.2
137.02338	99.7
138.02695	3.7
151.03932	1.0
152.01051	87.0
153.01846	36.6
154.02190	1.7
161.02377	1.3
163.03906	2.1
165.01929	1.3
165.05388	0.7
173.04485	1.6
177.01926	0.7
179.03432	0.9
191.05521	3.3
195.02911	0.7
199.09583	0.6
225.04050	0.6
297.06146	20.4
298.06509	1.3
315.07211	19.9
316.07471	1.0
370.10492	0.7
435.09268	100.0
436.09579	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	435.1298
Annotation	SCHEMBL110262
Peak:m/z	Relative Intensity
52.61574	0.4
55.13651	0.5
57.03312	1.4
59.01251	31.1
60.01616	0.9
60.76803	0.5
61.98714	1.9
65.00202	1.4
67.01764	1.2
69.03326	1.7
70.68697	0.4
71.01269	3.6
71.51635	0.7
78.95779	1.3
81.03327	11.2
81.03770	0.8
83.01250	4.6
85.02824	2.2
87.00745	1.6
89.02330	2.0
93.03335	12.6
95.04879	0.7
97.02837	1.0
97.06491	0.6
99.04433	0.5
101.02312	1.9
107.01280	1.4
108.02073	0.6
108.39126	0.6
109.02791	0.6
111.04399	1.9
113.02328	1.5
119.04908	11.3
121.02881	0.7
123.04408	29.9
124.04733	0.8
125.02332	15.1
135.04407	3.2
137.02324	0.6
143.03392	0.6
149.02365	2.4
150.03148	0.6
151.00279	3.0
152.99486	4.4
161.02364	1.4
161.04417	0.7
161.05898	0.6
163.03902	1.3
163.11198	2.1
165.05513	2.2
167.03409	78.3
168.03702	2.8
171.00447	0.5
173.04460	5.1
174.04651	0.6
179.03409	9.5
180.03781	0.5
189.05528	1.8
191.05525	11.0
192.05914	0.7
211.07646	0.7
211.57985	0.5
223.56442	0.7
229.08521	0.9
245.04309	1.5
255.06654	0.9
273.07669	100.0
274.08035	7.6
297.07779	0.9
435.13153	2.8
435.22183	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	49.5
60.01588	0.5
71.01245	0.3
71.49396	0.3
93.03352	0.4
100.85041	0.2
121.02834	0.5
122.03633	1.5
133.34871	0.2
149.02348	1.0
150.03123	18.8
151.03577	1.0
161.04437	0.3
165.05478	100.0
166.05803	4.4
195.06467	0.3
213.07616	16.4
214.07993	0.9
312.31384	0.2
314.56122	0.2
323.29849	0.2
456.22324	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.208
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23194	0.3
57.03329	0.5
59.01250	100.0
60.01596	0.9
61.98693	0.6
67.01746	0.6
71.01250	6.8
71.07101	1.1
72.99181	0.5
73.02822	4.1
83.01263	1.8
85.02833	1.8
89.02335	3.5
93.03339	1.4
95.01244	0.4
99.00776	0.5
101.02312	6.5
111.04446	0.6
113.02325	2.2
116.15052	0.4
119.03400	1.9
119.04916	0.6
125.02361	0.5
130.97282	0.5
133.02887	0.5
135.04404	0.8
143.03413	0.5
145.72658	0.4
149.04489	0.6
151.00273	0.9
161.02357	0.9
161.04393	2.0
173.04523	0.9
176.03987	1.7
177.01944	1.1
179.03436	0.8
179.05554	0.6
191.05530	3.9
191.06982	0.5
201.83090	0.4
268.03848	1.5
269.04120	1.9
270.04431	3.1
271.06238	2.0
433.10205	4.2
433.24490	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	433.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01572	0.7
61.98708	1.0
69.19212	4.4
71.01244	3.6
72.99192	0.7
73.02451	0.4
73.02801	2.2
73.50916	0.4
79.89458	0.4
83.01275	1.0
83.04894	0.4
85.02837	1.5
87.00777	0.4
89.02341	1.7
93.03338	3.0
95.01321	0.5
98.19810	0.7
101.02322	3.8
108.02118	0.4
110.08692	0.4
111.04429	0.7
113.02358	1.4
119.03402	0.4
131.03487	0.4
133.02867	1.5
135.04456	1.4
137.02283	0.5
150.03181	0.5
152.99605	0.4
155.03479	0.6
161.02324	3.1
161.04585	1.0
165.05550	0.6
167.03464	0.9
173.04521	1.5
178.02614	0.6
179.03397	0.5
191.05556	8.2
192.05862	0.5
199.77176	0.4
204.00389	0.4
209.11891	0.9
211.19627	0.4
235.04013	0.4
268.04022	0.5
270.04541	1.0
293.61758	0.5
339.05042	0.7
352.08096	0.7
353.08856	0.4
373.13092	1.7
403.14044	0.8
418.12698	0.6
433.10330	1.6
433.15256	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	433.2357
Annotation	LPA(0:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
50.56048	0.2
53.88995	0.2
64.40220	0.2
65.14878	0.2
71.23341	0.2
78.95771	54.9
89.02228	0.2
96.96838	7.2
98.20588	0.5
101.02387	0.2
115.06261	0.2
148.34172	0.2
150.97916	1.9
152.99483	100.0
153.99821	1.8
171.00546	3.7
171.01895	0.3
279.23303	1.2
362.27994	0.2
433.23544	5.4
434.23904	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	0.4
57.03315	0.5
58.00468	1.0
59.01249	100.0
60.01587	0.8
69.03341	0.2
70.32862	0.3
71.01253	15.3
72.01586	0.3
72.99187	0.9
73.02818	1.5
75.00752	0.4
78.13826	0.2
83.01255	1.1
85.02817	4.0
87.00750	1.0
87.04382	1.3
89.02315	16.0
93.03333	0.6
95.01277	0.9
98.19736	0.4
99.00787	0.8
101.02318	10.8
102.02692	0.3
107.75908	0.2
113.01539	0.3
113.02325	6.7
113.03066	0.4
113.08540	0.2
114.02662	0.2
119.03386	7.7
120.93632	0.2
121.02798	0.2
125.02376	0.2
131.03415	0.9
133.02864	0.2
135.04445	0.5
143.03386	1.8
144.13774	0.2
149.02435	0.3
149.04465	0.7
159.02908	0.7
159.10123	1.5
161.02364	0.7
161.04462	4.7
173.04504	0.5
179.03409	0.3
179.03754	0.3
179.05528	3.5
191.05530	3.8
192.05966	0.4
201.14984	0.5
229.83241	0.3
235.04677	0.2
253.18143	0.2
271.02515	1.0
271.05139	0.4
271.19208	1.9
295.49283	0.2
300.02774	0.3
301.03403	0.3
321.15512	1.3
339.05191	0.8
345.19070	0.3
363.20358	0.7
433.07791	0.5
433.19299	0.3
433.24493	4.0
434.24799	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15953	0.5
59.01248	100.0
60.01571	1.4
61.98708	0.8
70.99179	1.0
71.01257	1.8
75.00764	0.6
81.09818	0.4
82.94930	0.5
85.02820	1.1
89.02342	0.8
97.02814	0.7
101.02325	1.3
101.29351	0.5
113.92855	0.5
121.02818	0.5
123.04424	0.7
161.02328	2.4
161.04436	1.0
176.04726	2.9
179.03392	5.5
191.07045	0.6
194.05734	6.0
209.08118	16.9
210.08528	1.0
269.10306	0.7
368.71115	0.6
431.15433	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2437
Annotation	Triflorestevione
Peak:m/z	Relative Intensity
50.66076	0.2
55.09145	0.2
57.76366	0.2
58.68369	0.2
59.01249	1.6
59.60951	0.2
61.23176	0.3
70.25826	0.9
78.95786	1.0
85.02937	0.2
93.03319	0.3
102.21666	0.2
112.38635	0.2
117.03347	17.5
118.03652	0.5
119.04912	26.3
120.05249	1.4
121.02853	2.1
123.04400	0.4
145.02850	100.0
146.03198	4.0
152.99457	1.3
159.12038	0.2
163.03914	19.8
164.04248	0.9
267.19574	1.4
268.03723	2.2
269.04388	0.8
285.20694	7.6
286.21002	0.7
307.05463	0.2
338.05353	0.3
369.29126	0.3
413.23230	0.5
431.09842	2.4
431.24347	27.6
432.24631	3.8
456.04816	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64248	0.3
55.89148	0.4
59.01247	0.8
61.94297	0.3
70.38137	1.1
78.95770	0.3
87.98854	0.3
93.03322	0.7
117.03346	16.8
118.03716	0.7
119.04916	26.8
120.05275	1.1
121.02844	1.5
133.02834	0.5
145.02853	100.0
146.03191	3.8
152.99451	0.5
163.03915	19.8
164.04272	0.7
200.62064	0.3
251.55331	0.4
267.19641	1.4
268.03781	1.2
285.20706	8.4
286.21194	0.5
376.81476	0.4
379.87064	0.4
413.23578	0.4
420.86801	0.5
431.09637	1.2
431.24362	29.8
432.24670	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	433.0926
Annotation	Isoknipholone
Peak:m/z	Relative Intensity
54.21678	0.3
59.01258	2.4
63.02268	2.1
65.00186	1.5
71.01262	0.4
78.95785	0.7
86.70893	0.3
87.06069	0.3
96.95917	0.3
98.19822	0.9
107.01270	1.3
121.02878	0.5
144.58536	0.3
145.02856	0.5
146.97006	0.3
151.00244	1.4
152.99490	1.7
165.01860	0.4
166.02657	0.5
171.04413	0.3
191.05511	0.3
195.04417	0.4
207.04431	0.3
211.03938	0.6
212.04599	0.3
227.03365	0.4
239.03506	1.4
240.04202	1.0
249.05719	0.4
252.04230	1.9
255.02971	13.9
256.03638	3.1
265.05118	0.6
266.05701	0.5
268.03760	13.1
269.04263	2.3
283.06165	2.1
284.03220	0.6
284.06427	0.3
293.04773	0.4
303.06589	1.2
307.06140	0.8
309.03989	1.1
317.08145	0.9
330.05069	0.4
331.06012	2.5
333.07581	0.4
347.05533	0.9
358.04739	2.9
359.05515	1.0
361.06702	0.3
373.06992	2.7
374.07767	0.6
392.05579	1.1
401.06586	4.3
402.07056	0.4
403.04520	0.5
417.06149	40.9
418.06781	10.7
419.07129	0.7
433.09256	100.0
434.09604	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	433.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	6.7
59.01250	100.0
68.99693	6.8
69.03317	3.6
69.63723	24.9
71.01250	63.9
73.02828	10.6
74.63542	3.1
79.35173	3.2
85.02842	15.9
87.00738	7.7
89.02316	76.3
95.01268	14.4
99.00732	4.9
101.02328	63.8
113.02329	29.9
115.36891	3.6
118.74460	3.9
119.03374	29.2
123.04443	17.6
143.03352	4.3
155.03391	24.0
161.04385	16.6
163.42836	3.1
173.04376	3.2
175.46469	3.6
179.05504	13.6
199.37473	4.4
211.06105	3.8
225.07635	7.4
271.19220	10.3
433.15509	4.2
433.24619	27.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76097	0.5
59.01250	24.9
61.98695	0.6
63.84598	0.5
67.01749	1.6
68.99673	0.7
69.03316	1.9
69.26835	1.2
69.27236	5.0
71.01248	6.8
73.02828	0.7
74.23576	0.5
81.03321	1.2
85.02827	3.9
87.00734	2.0
89.02315	14.3
93.03324	1.1
95.01232	1.9
95.04902	1.4
97.02812	0.7
99.00751	0.7
101.01736	0.7
101.02318	3.7
108.02052	38.6
109.02847	25.4
110.03192	1.1
113.02313	1.7
119.04923	0.6
121.02802	1.9
123.00766	2.0
123.04424	0.9
125.02293	0.9
125.32602	0.6
127.03902	3.9
128.61990	0.6
129.68993	0.7
133.04951	5.4
135.04497	0.7
136.03831	0.6
147.04462	0.5
151.03900	0.7
152.01059	43.4
153.01849	25.1
153.63116	0.5
154.02119	0.8
155.85962	0.5
161.02310	1.0
161.04529	1.0
165.01767	1.4
165.73865	0.6
167.03404	1.2
179.03421	1.7
181.04915	0.6
191.05447	0.7
194.05736	0.9
209.08086	4.6
262.37756	0.6
297.06128	5.1
315.07187	13.7
322.41861	0.6
387.09332	9.0
388.09381	0.8
431.11884	100.0
432.12134	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	431.0982
Annotation	Pelargonidin 3-O-glucoside
Peak:m/z	Relative Intensity
54.40425	0.2
56.46006	0.2
63.02254	0.9
64.30334	0.2
65.00200	0.8
83.01241	0.6
94.91574	0.2
107.01266	2.5
117.03326	1.9
118.87698	0.2
121.02863	0.2
127.74918	0.2
148.01578	0.6
149.02328	1.4
149.99458	0.7
151.00269	3.7
169.01413	0.2
171.04367	1.0
172.05203	0.8
183.04448	0.5
184.05167	0.6
185.02379	0.3
195.04425	0.5
196.05237	0.7
199.03838	0.4
200.04602	0.9
201.05402	0.4
211.03934	1.9
212.04709	1.1
223.04025	0.4
224.04617	0.3
225.05487	0.5
229.39209	0.3
239.03441	3.6
240.04224	5.0
241.04578	0.4
267.02942	2.2
268.03748	100.0
269.04425	26.4
270.04861	1.0
283.06091	0.4
311.05594	0.9
384.89719	0.2
431.09805	54.4
432.04294	0.3
432.10138	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	429.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73496	0.6
56.87428	0.6
57.01687	0.7
59.01250	100.0
60.01593	1.1
61.98726	1.2
63.87713	0.6
71.50425	1.0
78.95786	2.4
82.84609	0.6
83.38156	0.6
91.03846	0.8
102.66643	0.7
116.76223	0.8
151.34715	0.6
152.99472	3.5
195.13849	1.0
220.46698	0.6
295.22766	9.1
296.23251	0.8
445.18524	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63409	4.7
59.01252	85.0
65.39529	4.5
67.01772	6.7
68.99680	34.7
69.03314	11.3
69.36332	40.5
71.01254	77.1
72.00780	7.2
73.02831	6.6
78.06968	5.5
85.02828	19.8
87.00755	12.7
89.02308	67.0
91.42373	5.8
91.56402	5.4
93.03304	7.1
95.01228	25.4
99.00714	7.1
101.01700	8.4
101.02325	100.0
102.01842	22.8
109.02836	9.3
113.02358	23.9
116.00825	5.1
119.03372	23.4
121.02864	7.6
123.04414	53.2
127.03893	22.1
135.04448	5.0
155.03400	86.9
161.04457	8.8
165.05595	6.3
166.04993	20.5
169.38513	4.7
179.03310	5.4
179.05472	6.0
183.59221	4.6
191.05495	14.2
225.07568	8.0
250.07065	8.7
268.08255	21.3
430.13721	6.5
431.11771	6.7
431.22955	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	430.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21066	2.5
53.91661	2.6
55.47081	2.7
59.01255	42.4
59.12002	2.6
68.01278	2.9
69.03327	18.8
69.55605	18.3
71.01258	24.6
79.60287	2.6
82.02863	2.9
85.02813	10.0
89.02320	26.8
93.03363	2.8
97.02845	8.7
98.20627	3.2
101.02303	15.9
102.73269	2.9
104.99850	2.9
107.04905	11.0
109.02840	36.2
111.50549	3.0
113.02333	12.8
119.03390	11.6
121.02840	11.1
123.04391	9.7
135.04442	21.4
136.03940	62.9
151.07521	3.6
159.03355	3.1
160.07610	23.8
161.05954	7.5
162.05511	9.4
165.05478	4.8
178.08791	2.6
179.07021	7.5
188.05582	2.6
188.07095	21.1
206.08168	13.1
245.83383	2.9
250.07150	8.7
355.62674	3.3
430.13538	100.0
431.13956	6.0
452.54785	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	429.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	1.1
63.30060	0.3
70.87766	0.6
70.88112	0.8
91.65114	0.4
99.00759	0.7
99.92460	4.8
100.93254	3.4
107.06710	0.4
115.91961	100.0
116.91969	6.4
116.92757	5.1
117.92406	0.5
118.58479	0.4
132.92271	0.6
172.95392	5.3
255.23282	0.9
341.19919	0.4
355.15576	0.8
381.17535	0.4
415.76529	0.5
429.19434	4.3
430.19489	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59912	0.5
54.35854	0.6
57.03322	0.6
58.00457	0.8
59.01250	100.0
60.01596	1.2
61.98704	0.5
64.29742	0.5
69.03332	1.0
69.33226	4.9
70.96653	0.6
71.01253	22.9
72.99197	0.8
73.02819	1.5
75.00729	0.5
79.67725	0.5
83.01273	0.8
83.17667	0.5
85.02815	4.9
87.00756	1.8
89.01757	1.2
89.02317	26.0
90.02644	0.7
93.03339	0.7
95.01299	0.8
99.00764	3.1
101.02324	11.4
113.02331	8.8
119.03397	9.9
120.03758	0.7
122.02388	1.0
131.03406	1.6
143.03448	2.1
149.04454	0.9
152.99527	0.6
161.04495	3.1
178.06599	0.6
179.05499	5.3
191.05534	2.6
197.08118	0.6
198.02180	0.7
262.02872	0.5
297.13531	2.0
300.44702	0.5
429.17639	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	427.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98232	0.7
55.41008	0.7
59.01245	19.5
61.98702	12.2
69.86416	1.5
69.86822	4.1
71.01255	21.5
72.99176	6.9
78.95782	2.5
81.33054	0.7
89.92503	0.8
90.93201	1.0
97.80753	0.8
99.00735	1.1
115.00238	4.9
119.94610	1.7
127.11224	0.7
129.09140	1.1
133.01305	1.6
135.04390	2.5
151.11253	1.0
152.99460	2.4
153.12750	1.7
169.09778	0.7
169.12199	1.7
179.03438	1.4
181.12267	7.0
191.05527	3.8
191.14159	0.8
197.11794	0.8
199.13423	1.4
228.13641	1.0
247.24461	0.8
265.21692	1.0
275.20172	1.6
293.21210	6.3
309.20776	0.9
311.22275	100.0
312.22614	10.2
321.24359	1.3
409.22385	2.5
437.64307	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01595	1.3
61.98701	2.7
66.28034	0.6
69.61407	0.6
71.01253	1.3
71.30660	1.4
72.99194	0.8
78.95782	1.8
82.42324	0.7
89.02343	0.7
91.03910	1.8
99.92464	0.6
104.31930	0.6
110.11514	0.6
118.89962	0.6
122.62186	0.6
133.02875	0.6
134.32852	0.5
135.04436	1.3
144.34288	0.6
152.99524	3.3
161.02370	1.1
171.10211	1.2
179.03493	1.2
191.05624	1.6
257.19092	0.8
275.20200	2.0
293.21194	7.2
294.21478	0.7
311.22321	4.4
427.21857	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
58.63856	0.9
59.01254	6.3
65.10876	0.8
69.03312	1.6
69.73865	1.6
69.74267	2.9
71.01253	4.1
72.99136	0.9
78.95780	3.4
82.35213	0.8
85.02849	1.2
87.00754	100.0
88.00269	1.9
88.01102	1.8
89.02342	5.1
93.03378	0.9
96.95891	2.3
96.96841	1.7
97.02804	0.9
99.00744	1.3
101.02339	1.4
113.02338	1.4
119.03442	0.8
135.04398	1.9
143.03485	0.7
165.05469	1.7
169.15031	0.8
175.02415	1.9
179.57613	0.8
189.86307	0.8
191.05521	3.3
207.06538	1.2
210.60754	0.8
306.32626	0.9
341.10898	3.9
342.11520	0.9
429.11884	0.9
429.13858	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.182
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23507	3.2
59.01250	44.1
61.98693	3.5
67.14381	3.2
68.01302	4.9
69.03332	10.2
69.77737	18.0
71.01262	34.7
73.02833	11.3
83.01270	9.4
85.02816	18.6
87.00740	8.0
89.02332	7.3
93.03316	4.4
95.01222	3.3
96.95903	4.4
97.02866	6.6
99.00773	8.3
101.02316	31.5
102.39600	3.7
109.02817	6.0
113.02347	18.4
119.04898	5.2
121.02858	3.9
131.03461	3.6
133.02869	4.5
135.04468	24.9
148.13863	3.9
159.02983	5.2
161.02420	4.3
161.04469	11.2
163.03912	19.4
175.03928	8.3
182.71068	2.9
188.38063	3.2
191.01669	5.0
191.05557	15.0
209.02715	53.4
220.03737	6.8
235.00781	4.0
235.06122	4.3
235.11855	100.0
236.12111	5.9
253.01732	16.4
265.07190	11.1
275.24664	3.3
318.98282	3.5
361.26038	4.0
367.16080	55.1
368.16595	5.3
427.07162	24.8
427.12787	9.4
428.12067	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	425.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	5.2
67.05391	2.8
70.19253	6.0
70.19626	2.1
71.04890	12.7
78.87593	1.3
80.04934	1.3
114.09121	3.4
130.08627	15.6
131.55638	1.3
186.14922	7.9
230.13928	100.0
231.14244	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	427.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	2.7
59.01247	9.1
61.70974	0.5
67.01754	2.5
68.99685	4.6
69.03321	2.2
71.00860	1.1
71.01246	16.8
71.50687	0.9
71.73275	0.6
72.99159	0.9
73.02779	0.6
78.95699	0.6
83.01257	2.8
85.02822	20.9
85.99944	1.5
86.03147	0.9
87.00748	8.5
89.02319	3.3
91.03891	1.6
93.03325	2.3
95.01270	4.2
96.95891	2.0
97.02830	1.4
99.00690	0.6
99.04365	1.0
101.02323	1.5
103.00266	1.4
103.03844	0.7
103.93739	0.6
109.02780	0.6
111.00761	3.5
112.01538	1.2
113.02328	27.0
117.03336	6.1
119.04912	89.9
119.81380	0.6
120.05267	1.7
121.02843	0.7
123.04412	1.2
127.03899	0.8
129.01836	2.0
131.03386	0.8
133.02823	1.0
135.04420	2.6
137.02449	0.6
139.00282	2.0
145.02847	34.9
146.03183	1.7
153.05496	0.9
154.59683	0.7
157.01358	1.3
161.02325	0.8
163.03914	100.0
164.04224	3.7
173.04370	1.2
179.03516	0.8
189.03955	0.7
191.05531	7.5
192.05891	0.9
205.07094	1.8
209.18234	0.7
231.04956	1.4
237.07671	5.1
245.92114	0.7
249.06133	10.6
263.07706	21.5
263.10519	1.4
264.08203	1.5
281.08765	79.5
282.09033	4.3
351.10861	10.2
352.11154	1.3
383.13452	0.8
395.09866	4.4
396.10553	0.9
427.12451	44.6
428.12961	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	427.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12139	0.7
55.98988	0.7
57.03312	3.3
59.01005	1.0
59.01252	11.8
61.98684	2.0
67.01750	3.2
68.99665	3.6
69.03312	2.3
71.01250	21.2
71.50991	1.3
72.99158	1.9
73.02797	1.5
75.00714	1.3
79.62682	0.9
80.25549	0.9
83.01234	3.2
85.02823	24.0
87.00737	8.9
89.02309	3.5
91.03873	1.4
93.03336	1.8
95.01251	4.8
101.02293	3.5
103.00224	1.7
109.02784	2.0
111.00737	3.4
112.01543	0.8
113.02328	27.6
117.03309	7.4
119.04910	87.1
120.05273	3.9
121.02813	1.7
123.04380	1.1
129.01826	2.3
135.04448	6.3
139.00264	1.8
145.02853	37.3
146.03233	0.8
153.88760	0.8
157.01338	1.5
163.03912	100.0
164.04277	4.5
165.02269	0.8
167.35912	0.8
179.03400	7.2
187.82596	0.9
188.04607	1.1
191.05534	2.9
199.12666	0.9
205.07074	2.1
231.04967	1.2
232.03621	1.1
237.07619	4.6
247.05997	1.7
249.06119	6.0
263.07721	17.3
264.07910	1.1
281.08768	64.3
282.09113	2.5
351.10703	7.8
383.16058	1.3
395.09586	3.5
427.12357	41.4
428.12738	4.4
436.14713	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03704	0.5
57.03306	0.7
59.01234	1.1
59.70510	0.5
67.61417	0.5
69.79698	3.4
71.01251	26.1
72.99175	7.1
78.47559	0.5
82.63371	0.5
83.04924	1.1
87.00754	0.6
87.37988	0.6
98.19803	0.9
103.98511	0.6
111.08031	2.0
115.00249	5.6
123.08047	0.7
125.09586	0.6
127.11179	1.0
129.09131	0.7
133.01318	1.0
150.40887	0.5
151.11192	0.7
153.09158	0.8
153.12744	3.2
155.10661	1.0
165.12689	0.6
167.06044	1.3
167.10675	2.0
169.12163	1.1
177.12764	0.6
179.14319	2.0
181.12257	2.8
193.07578	1.1
197.11693	2.5
199.13361	1.1
207.13792	1.6
215.12778	1.1
221.10828	1.6
247.20613	3.1
259.69217	0.5
273.18445	1.6
281.21152	1.8
289.13513	1.4
291.19653	23.2
292.20026	2.3
307.19003	1.0
309.20700	100.0
310.21021	10.6
317.12915	2.0
319.22720	1.4
349.15613	3.7
381.18030	5.0
382.18518	0.9
393.00925	0.6
407.20621	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	425.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31508	0.6
59.01251	100.0
60.01583	0.7
60.25564	0.6
61.98720	1.4
67.01773	3.9
68.99677	5.6
69.03326	0.9
70.83916	0.8
70.84263	2.0
71.01254	5.9
71.11411	0.7
72.99171	0.8
73.02819	1.1
99.04405	1.3
101.02327	8.9
115.00230	0.8
115.91975	1.7
116.04955	0.7
116.92767	1.5
127.03922	4.6
133.01306	1.0
142.06500	1.4
166.06560	1.9
167.06070	6.3
168.12949	0.7
179.07382	1.4
180.06827	3.3
180.08211	1.3
181.07649	2.4
192.08107	1.3
193.07610	8.9
194.06120	2.9
194.09712	0.8
201.91533	0.8
208.07680	2.2
218.08133	0.8
219.09406	0.8
220.07738	2.0
221.10738	4.2
222.05649	1.5
222.09265	1.3
232.07660	1.0
233.10866	1.0
236.07314	0.9
245.10907	2.2
246.13007	0.8
247.12483	2.2
261.14014	2.0
262.12344	0.9
287.11914	1.7
289.13419	9.1
289.15854	0.7
290.14078	1.0
291.19659	5.6
292.20169	1.2
309.20694	15.0
310.21185	1.4
317.12964	6.6
321.16095	1.1
345.62173	0.6
349.15549	47.4
350.15869	5.3
381.18176	40.6
382.18387	5.8
393.14801	3.1
394.14697	0.8
397.71506	0.7
425.17056	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	425.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12383	1.3
52.87982	1.3
55.09893	1.3
56.39579	1.6
58.50801	1.4
59.01254	10.9
59.47892	1.3
61.98700	12.7
63.78399	1.7
69.41166	11.8
70.78133	1.5
71.01251	33.7
72.99180	8.0
73.02802	1.9
78.95790	2.8
83.04901	1.4
96.95885	4.3
97.06458	1.6
103.02806	1.4
114.03807	1.3
115.00256	12.3
125.09654	1.7
129.50200	1.4
135.81375	1.4
161.04524	1.6
162.83824	2.3
163.11215	3.9
165.12772	8.2
179.14410	2.1
181.12193	2.5
191.05449	1.6
191.14368	2.0
193.08376	1.7
193.15921	1.7
209.11758	1.6
219.17455	2.4
223.13237	1.5
227.12917	1.6
247.20560	6.3
263.16513	19.4
267.80966	1.4
273.18652	2.9
291.19647	51.4
292.20062	4.8
309.20694	100.0
310.21075	12.0
343.24692	2.2
407.20792	4.7
425.13348	3.1
425.22089	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	425.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	0.7
59.01242	2.6
61.98704	0.8
69.18147	0.3
69.84984	1.0
69.85378	0.9
71.01252	36.0
72.99178	9.5
78.95773	0.5
83.04852	0.6
85.02821	0.4
87.00736	0.6
89.02292	0.3
94.17249	0.4
95.04862	0.5
97.06469	1.1
99.08012	0.5
113.09634	1.0
115.00258	15.8
115.07565	0.8
125.05966	0.6
133.01306	6.5
139.98979	0.5
141.09126	0.6
165.12744	2.0
167.14346	1.1
177.12932	0.5
181.12257	3.2
189.01056	0.4
191.05556	0.7
193.12265	1.2
193.15881	0.5
195.13846	1.2
211.13400	2.4
221.15459	1.1
223.55080	0.4
229.14397	0.6
237.14856	0.7
240.13612	1.2
241.14386	0.5
247.20706	2.8
253.47888	0.4
263.20135	0.5
267.19650	0.4
267.52231	0.5
273.18600	1.9
281.21210	1.3
291.19656	22.9
292.20029	2.3
309.20697	100.0
310.21033	10.2
345.20648	0.5
357.13727	0.4
363.21777	1.1
407.20685	3.5
408.21146	1.0
425.21994	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.13
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06707	3.0
52.10512	3.2
53.49970	2.8
57.03305	18.2
59.01249	26.7
69.03335	5.1
69.56165	21.4
71.01262	22.7
72.99152	4.1
75.00747	6.0
75.44330	3.1
78.90039	2.6
81.63921	2.8
85.02834	8.3
89.02299	16.2
95.04900	35.7
97.06441	7.6
101.02324	10.3
107.04900	10.6
109.02805	3.7
109.06454	6.5
113.02316	8.0
114.08199	2.9
119.03371	5.1
125.05973	90.8
127.07533	25.7
155.07094	4.7
190.73108	3.3
191.05501	5.8
199.06050	100.0
200.06380	5.1
201.07607	27.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1854
Annotation	Win-55212-2
Peak:m/z	Relative Intensity
59.01252	33.7
69.03324	0.4
70.47684	0.8
71.01263	0.3
79.95608	14.8
80.96397	1.3
84.02053	0.4
85.02821	2.0
85.91124	0.3
87.00732	0.4
93.03327	0.8
95.95164	0.3
96.95890	100.0
97.25015	0.3
99.08018	1.5
101.02321	0.4
101.05958	0.9
109.06431	0.5
111.04398	0.4
120.99542	0.6
123.08050	1.1
125.09686	0.4
134.03586	0.7
135.04405	0.6
137.09651	0.8
139.11203	0.4
149.09627	0.7
157.12260	0.3
165.12749	3.1
167.10684	2.9
173.04451	0.7
179.03458	0.7
183.13884	0.7
185.11888	0.4
191.05553	3.0
257.63641	0.3
280.11435	0.3
327.21765	1.0
345.22781	12.8
346.23132	1.3
358.63974	0.3
363.18494	3.6
364.18524	0.4
365.16418	6.2
366.16751	0.4
425.18515	92.2
426.18863	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	425.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64759	12.2
57.71791	11.7
59.01222	31.1
68.99670	15.1
69.38153	100.0
71.01269	13.1
101.02321	27.0
113.19720	14.1
120.99532	16.0
155.03362	28.5
156.38510	12.5
162.05415	16.3
176.02141	11.9
176.03445	71.3
177.01817	23.9
191.05548	20.4
275.19531	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	425.1218
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49878	3.0
52.61645	2.4
59.01231	8.5
61.98680	5.6
69.54720	20.8
71.01240	2.9
79.95589	9.7
85.02870	2.9
93.03334	3.6
95.95114	4.9
96.95882	28.4
101.02322	6.1
119.04873	3.4
160.71989	2.8
165.02180	100.0
165.52428	13.3
166.02051	6.3
177.86171	3.1
191.05457	8.0
198.02614	2.7
233.08464	8.2
336.39743	2.8
386.30008	3.2
425.12561	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	423.1062
Annotation	Unknow
Peak:m/z	Relative Intensity
57.46833	10.0
58.44406	9.1
59.01241	45.8
69.26900	100.0
69.62027	10.5
71.01247	18.8
72.99177	11.1
75.00738	15.8
75.56675	10.2
85.02816	16.2
89.02322	16.0
96.95894	68.8
112.29284	10.8
123.04407	11.7
136.75900	10.7
150.03117	43.0
151.03865	10.0
164.01453	10.4
165.02147	46.8
165.05473	49.0
166.02510	13.0
176.01106	10.1
181.24693	10.3
191.05525	25.0
195.06593	26.2
200.59084	10.3
225.00690	41.6
268.83047	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	423.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80035	6.5
59.01249	73.2
69.03331	28.2
69.69728	5.0
71.01241	35.1
71.14217	6.8
71.62729	5.4
72.53301	6.5
83.04887	15.2
85.02822	15.5
89.02314	32.9
93.03364	6.8
93.08602	6.4
95.01236	7.6
95.04906	11.4
97.02769	5.7
97.06483	57.4
98.19781	13.1
101.02303	18.5
106.85201	5.8
107.04941	29.8
110.03629	7.3
111.04382	7.9
113.02333	17.5
119.03381	8.9
123.04456	7.2
125.05965	100.0
135.04359	15.3
143.39908	5.8
147.07863	5.7
153.05492	10.3
161.83521	5.2
179.03384	7.2
181.90361	6.7
290.68021	7.1
303.98520	5.8
346.90421	5.8
423.11420	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	423.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	6.1
57.03329	4.1
58.00468	1.4
59.01250	31.4
62.50246	0.4
68.99702	0.5
69.03323	1.4
71.01253	61.4
71.50740	0.6
72.01591	0.9
72.99172	2.7
73.02819	30.5
74.03143	0.5
75.00739	1.4
78.95757	0.6
81.03336	1.0
83.00757	0.5
83.01257	13.9
85.02822	32.0
85.99966	2.1
86.03177	0.7
87.00748	4.5
89.02320	10.8
93.03325	1.6
95.01263	4.7
97.02850	2.7
99.00760	13.1
99.04386	0.8
101.02321	59.3
102.02663	0.9
111.00748	2.5
113.02331	22.2
114.02708	0.7
115.03891	1.3
119.03397	0.6
119.04912	0.4
125.02321	3.1
127.11150	0.6
129.01808	1.8
129.12788	0.4
131.03375	3.3
133.02824	0.7
134.03636	1.0
135.04376	0.6
137.02382	0.6
143.03363	2.9
149.04457	1.7
152.99675	0.5
159.02904	5.2
161.04463	24.9
162.04921	0.9
171.13760	0.5
173.04453	2.0
191.05525	2.8
199.13304	0.9
205.03439	1.6
233.06604	2.3
261.11273	1.2
275.09265	1.6
291.18130	100.0
292.18527	6.3
293.08752	0.8
296.74747	0.5
335.17041	0.7
423.22360	72.1
424.22711	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	421.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45126	3.8
59.01249	100.0
67.01759	12.2
67.27517	4.5
68.99693	9.2
69.03318	39.5
71.01251	46.2
71.50409	4.8
72.99178	5.1
85.02828	11.2
86.29372	4.0
87.04386	8.8
89.02309	68.8
95.01271	8.1
95.04911	41.9
101.02326	46.4
103.17270	4.3
111.00819	5.7
113.02294	18.1
113.05935	8.1
119.03394	29.3
121.02831	11.4
123.04385	8.2
127.03925	31.4
131.03357	7.2
139.00247	24.1
139.03905	10.9
143.03329	4.7
155.03360	7.0
161.04462	6.4
165.01862	4.3
165.05544	6.9
167.03447	10.1
178.28470	4.5
179.05482	17.1
191.05545	8.7
197.04503	13.7
208.35286	5.3
209.04587	5.6
241.07182	22.3
262.98508	4.4
270.92300	5.5
389.10611	5.8
421.13614	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1632
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46469	5.7
57.30715	5.3
59.01253	40.9
61.98698	69.3
69.40958	39.7
70.61726	4.9
71.01228	14.6
73.02804	12.8
75.70829	5.9
83.75746	5.2
89.02317	17.5
98.19866	13.3
101.02309	13.8
153.20906	5.3
171.33888	5.0
176.74754	5.4
194.02324	6.2
247.80833	5.4
329.84671	5.8
404.87213	5.5
421.10669	7.4
421.16357	100.0
422.16830	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	421.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72771	2.4
59.01251	100.0
70.27140	7.4
71.01254	33.7
72.99172	3.4
85.02831	9.0
88.98734	3.2
89.02317	39.9
95.01253	2.6
97.02850	2.9
99.00777	2.8
101.02321	24.6
106.51115	2.5
113.02328	16.7
113.61534	2.5
119.03381	17.9
123.04393	5.2
150.13828	2.4
161.04419	3.9
163.07600	4.2
179.05563	10.1
181.04915	5.2
183.36099	2.4
253.26506	2.7
331.13931	9.0
343.13947	44.3
344.14285	3.3
361.15048	41.5
362.15274	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	421.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	2.0
55.40934	1.2
57.03315	5.3
59.00957	2.2
59.01250	37.9
59.89581	1.1
61.98709	1.3
62.64048	1.1
64.14575	1.1
67.69296	1.1
69.75027	2.9
69.75423	3.0
71.01252	24.9
73.02819	5.1
83.01247	1.9
85.02818	5.7
89.02314	10.6
93.03339	1.3
95.01231	1.7
101.02324	17.3
113.02319	8.6
119.03399	3.2
119.08505	1.3
137.09625	18.2
143.03418	2.5
143.07051	1.8
146.08119	3.8
150.03120	3.3
151.03897	1.3
161.04468	16.9
165.05482	3.4
169.08585	8.0
179.05492	3.0
181.08626	80.7
182.08969	4.3
191.05537	3.7
199.09666	15.1
277.12421	5.9
361.15021	100.0
362.15378	8.3
377.18161	14.5
388.11990	1.3
421.20908	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	0.5
70.83669	1.4
78.95773	28.8
91.94598	0.5
110.98412	46.8
120.37726	0.5
121.04092	0.4
122.18306	0.5
123.04248	0.6
127.11500	0.5
151.06689	0.4
152.99483	5.2
167.01018	1.6
181.85159	0.4
185.02126	100.0
186.02435	1.7
196.78917	0.5
253.21700	25.8
254.22002	3.2
399.91159	0.5
421.23605	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1064
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
59.61464	34.6
71.01275	61.2
71.38661	56.0
73.02805	53.4
89.02295	90.0
101.02317	75.7
113.02354	57.3
116.92570	39.1
124.19134	40.4
132.75517	39.9
143.40216	37.4
392.78995	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	420.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	5.0
61.01672	1.6
61.63451	1.8
61.98701	100.0
69.70368	7.9
71.01255	2.0
77.53741	1.6
81.03323	2.1
88.08275	2.0
103.55249	1.7
125.02319	2.9
127.38024	1.6
170.55827	1.7
247.55331	1.6
267.91669	1.8
287.50299	1.4
400.23325	1.7
421.31583	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	420.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36623	0.3
57.03239	0.5
58.02726	7.0
58.03058	2.9
59.01126	3.8
59.01465	1.4
60.51563	0.3
61.98580	1.2
67.01662	0.4
70.37865	0.8
70.38267	0.7
71.01115	6.1
71.01556	1.4
72.00643	3.3
72.01080	0.6
72.95942	0.4
73.02683	1.2
73.03808	5.2
73.04258	1.2
74.02237	0.6
78.95628	1.4
82.06362	1.0
83.01116	1.2
85.02682	2.6
85.03233	0.7
87.00651	0.7
89.02165	3.0
91.05249	2.3
93.03181	3.0
95.01138	0.4
96.03066	0.4
97.02681	0.6
97.03809	1.1
97.04338	0.4
98.02201	3.5
98.02887	0.8
99.00645	0.9
101.02158	4.1
104.75386	0.4
108.07905	1.0
109.02779	0.3
111.00632	0.6
111.04220	0.7
112.07461	0.9
113.02159	1.5
115.04855	4.5
116.03303	0.9
118.06381	0.8
125.02202	0.7
126.08981	1.0
129.10048	13.0
129.11101	1.1
131.03229	1.4
133.02679	0.5
134.03438	1.0
135.04233	3.0
137.02223	0.7
139.08510	1.0
141.10045	1.8
143.11711	0.7
147.04417	15.5
147.05446	0.8
147.32890	0.4
148.04623	0.7
149.04337	0.5
151.08650	1.7
152.07072	7.8
152.10559	0.6
152.99371	0.8
153.05247	0.7
153.07242	0.4
155.08003	1.0
159.04260	0.5
161.02167	0.8
161.04469	1.8
164.07080	39.0
164.09015	1.2
165.07198	1.6
168.11331	15.9
169.09531	1.5
169.11226	0.6
173.04485	1.9
176.03897	0.5
179.03198	1.2
186.12401	32.1
186.13963	1.0
187.12553	1.4
191.05566	5.6
196.09543	1.2
202.04758	0.3
210.12411	22.9
211.10632	3.1
211.12637	1.1
216.13634	0.4
228.13440	3.0
233.06413	0.4
233.14307	0.6
233.16547	10.8
234.16742	0.4
247.05754	0.4
259.14404	0.9
277.15573	6.3
278.15891	0.6
283.13101	0.6
289.16583	3.2
290.18747	8.4
291.18762	0.5
308.09158	0.6
332.19751	5.1
333.20038	0.4
334.17636	0.5
369.77402	0.4
376.18744	100.0
377.19101	11.3
389.34857	0.4
402.20370	1.7
420.13150	0.6
420.21472	14.3
421.11609	0.5
421.20828	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	420.2755
Annotation	6-Deacetylperegrine
Peak:m/z	Relative Intensity
59.01237	2.0
61.98717	1.3
71.51069	0.6
71.51497	1.2
88.98686	0.8
93.03362	1.9
121.02843	100.0
122.03168	2.9
122.22744	0.7
122.50909	0.6
143.91492	0.7
191.05562	2.1
192.04176	1.0
215.47133	0.6
321.35150	0.6
402.23709	2.5
420.27588	52.5
421.27905	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	419.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	3.7
58.00455	3.5
59.01249	100.0
65.09651	1.7
67.01759	11.3
68.99683	14.6
69.03328	5.7
69.53371	3.6
69.53774	8.2
71.01253	60.3
72.99181	8.2
73.02810	4.2
73.89091	1.5
75.00743	2.7
81.03307	3.0
83.01280	2.6
83.04886	1.7
83.68421	1.4
85.02820	44.9
87.00725	7.8
89.02314	57.4
93.03335	19.3
95.01256	5.5
95.04906	11.6
99.00753	4.8
99.04398	2.3
101.02319	49.3
107.04892	15.9
109.02847	5.3
111.00743	7.5
111.04393	11.5
113.02328	20.3
117.01811	3.5
119.03392	22.2
119.04906	12.1
121.02842	9.9
121.32795	1.4
123.04385	7.3
125.02293	2.9
127.03898	33.6
128.04208	2.1
131.03383	2.6
135.04408	26.1
137.02347	28.0
137.05972	7.9
139.00262	13.2
139.03932	1.6
143.03360	4.7
145.02859	1.9
148.73506	1.7
149.02354	2.1
149.04469	1.8
149.05984	3.9
150.03140	1.7
151.03857	6.6
151.07516	2.4
153.01855	3.4
153.05467	5.4
155.03365	2.0
161.02364	3.2
161.04445	3.9
162.03052	1.4
163.03915	19.4
165.01765	1.7
165.05417	4.3
169.05003	1.7
177.05505	9.5
179.03410	11.3
179.05464	6.2
179.06827	1.6
181.04932	3.3
182.02455	1.5
183.06558	1.8
195.06557	37.7
197.04387	1.8
207.02948	9.5
207.06725	1.7
209.04485	2.8
213.07507	3.1
221.04425	2.8
225.04140	2.6
239.05566	19.9
332.73959	1.6
345.11688	2.0
359.09738	2.8
375.12759	2.1
385.51431	2.0
387.09213	13.0
419.11655	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	419.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85717	4.2
57.03316	6.1
59.01255	100.0
67.01763	11.8
67.20489	3.8
68.99693	31.0
69.03321	8.2
69.78319	26.3
71.01254	51.8
72.99191	13.5
75.00752	5.3
75.54850	3.9
83.01283	5.9
85.02827	32.4
87.00773	13.1
89.02316	42.7
93.03344	19.9
95.01267	18.0
95.58974	4.9
97.02808	4.2
101.02326	68.7
107.04929	12.8
111.00764	13.9
111.04418	8.6
113.02332	17.5
119.03383	18.3
119.04919	4.5
121.02835	9.2
123.04404	20.3
127.03915	34.1
134.03687	4.7
135.04459	24.8
137.02370	27.7
137.05922	6.1
151.03905	12.3
155.03406	38.6
161.02325	9.8
161.04428	5.1
163.03935	26.1
165.01855	7.2
165.05568	7.2
169.04868	4.5
175.02391	4.2
177.05501	8.1
179.03452	11.4
179.05569	9.9
180.04164	5.0
190.06276	6.4
191.05547	45.1
193.04881	8.8
195.06522	24.2
207.02829	9.8
221.50854	4.8
225.07654	7.8
239.05574	17.3
387.09024	9.2
389.16113	11.6
419.11810	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	419.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	7.5
65.08613	1.1
65.90316	0.9
69.37711	6.2
69.38112	1.7
71.01256	10.9
72.99149	1.7
73.02810	5.3
74.97694	0.9
75.00743	64.8
76.01094	0.9
81.03312	1.1
83.01278	1.2
85.02804	3.9
87.00769	1.3
87.04364	3.7
89.02309	2.5
93.03328	1.3
99.00743	1.3
101.02332	5.3
111.00759	3.5
111.08057	1.0
113.02340	2.2
117.01871	1.1
129.01840	2.6
135.08044	2.5
137.02341	25.4
137.09608	12.2
145.24036	1.0
155.10681	73.2
156.10977	3.0
169.12254	3.1
173.00818	1.3
178.07913	0.9
179.10646	0.9
181.08592	2.0
191.05496	3.6
191.10754	1.0
199.09679	27.5
200.10025	1.6
213.11273	1.9
219.05115	5.2
237.06052	5.1
241.10735	8.0
283.11877	1.9
301.12878	1.8
307.17206	1.2
307.20572	1.0
401.14322	3.1
419.10437	3.8
419.15540	100.0
420.15912	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	417.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	8.5
60.99519	1.0
71.01242	2.2
71.04463	0.9
71.51460	1.4
72.99175	5.5
75.00732	1.2
81.03313	1.2
89.02312	2.2
97.06476	6.1
101.02376	1.1
108.92426	0.8
112.93057	0.9
124.60929	1.0
125.02336	4.5
125.05968	47.5
126.06335	2.1
143.07036	72.4
144.07405	2.7
148.08835	1.5
151.11221	1.5
162.30508	0.9
163.11174	1.4
165.12749	20.9
215.56772	0.9
247.20677	11.8
248.21027	1.8
273.18549	7.8
274.18900	1.0
291.19635	100.0
292.20035	8.2
312.14166	1.0
417.26523	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	419.077
Annotation	4'-Demethylknipholone
Peak:m/z	Relative Intensity
53.46264	0.2
59.01248	1.0
59.95385	0.2
61.98697	0.4
63.02250	0.3
63.42917	0.2
65.00188	0.6
69.32641	0.2
71.31007	0.2
71.31333	0.3
73.36893	0.2
75.54417	0.2
78.95808	0.2
83.01266	0.3
84.15203	0.2
85.02850	0.3
93.03356	0.3
98.54994	0.2
107.01258	1.0
109.02856	1.4
117.03326	3.9
117.04094	0.3
128.77676	0.2
131.10490	0.2
133.02859	0.4
135.04414	1.1
149.02350	3.9
150.99133	0.5
151.00275	4.8
152.00542	0.3
159.04396	0.6
161.02347	0.6
173.04593	0.2
176.03900	0.2
179.03458	0.6
181.06509	0.7
183.04439	0.5
185.02461	0.3
191.05516	1.6
197.05966	0.3
201.05507	1.0
225.05515	2.6
227.03441	0.7
255.03032	0.3
268.03632	0.6
269.04544	100.0
270.04880	8.4
303.06604	0.3
317.28278	0.2
359.05667	0.4
375.08804	1.6
402.25787	0.2
419.07721	26.7
420.08008	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	417.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94449	0.3
55.01757	4.8
57.03321	6.4
58.00464	2.2
59.01249	46.4
60.01575	0.6
61.43125	0.4
67.01749	0.5
67.49834	0.3
68.99696	0.6
69.03313	1.3
71.01251	100.0
72.01587	1.4
72.99176	2.8
73.02814	25.8
75.00729	2.1
83.01262	10.5
84.02042	1.2
85.02821	40.5
86.03164	0.9
87.00755	4.1
87.04382	2.7
89.02316	29.7
90.02643	0.7
93.03336	1.1
95.01257	7.0
97.02822	2.3
99.00101	0.6
99.00752	11.9
99.04388	0.4
101.02320	60.2
102.02673	1.1
111.00756	1.3
113.02328	41.1
114.02683	0.7
115.03949	0.4
119.03390	14.7
125.02333	2.8
125.55397	0.4
129.01825	2.2
131.03401	1.6
139.00337	0.4
143.03395	5.6
148.97595	0.5
149.04433	1.1
159.02895	9.7
161.04462	49.1
162.04832	1.2
173.04515	0.6
179.05522	2.9
191.05510	3.5
192.05925	0.8
205.03426	2.1
222.32190	0.4
229.20241	0.5
255.19632	2.3
266.07068	0.5
281.09186	0.6
297.20767	0.9
304.83469	0.4
306.48804	0.4
309.08884	1.6
341.11398	1.2
373.14505	0.6
385.10522	0.8
417.13098	3.4
417.25012	31.3
418.25522	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63609	0.3
55.01754	3.7
57.03326	4.2
58.00472	3.4
59.01249	63.3
60.01591	0.5
64.78346	0.4
67.01754	0.5
68.99680	0.5
69.03317	1.6
71.01250	100.0
71.51522	0.4
72.01591	1.0
72.99182	5.8
73.02816	21.6
75.00729	1.8
78.95779	0.5
81.03333	0.6
83.01256	10.6
84.02054	0.8
84.81988	0.3
85.02821	34.8
86.03165	0.7
87.00751	5.0
87.04401	2.3
89.02317	50.7
90.02689	0.8
91.59951	0.3
93.03354	1.0
95.01258	6.3
96.96886	0.4
97.02838	1.9
99.00758	9.1
99.04362	0.4
101.02321	69.1
102.02666	1.4
111.00764	1.1
112.01558	0.9
113.02332	40.0
114.02670	0.8
119.03391	23.7
120.03716	0.4
125.02355	3.3
129.01822	1.5
131.03387	2.5
133.01337	0.4
133.02829	0.4
135.16040	0.4
137.02341	0.6
139.00247	0.6
143.03413	6.4
149.04413	2.2
152.03439	2.6
159.02916	6.6
161.04463	36.7
162.04878	0.8
173.04443	1.1
179.05516	8.4
187.07666	0.4
191.05554	3.2
205.03423	1.4
224.06833	0.7
238.07234	0.5
241.34216	0.4
255.19556	2.9
285.04114	0.3
295.02539	0.4
301.80835	0.4
385.14224	0.4
417.24954	26.8
418.14984	0.6
418.25290	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	417.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	4.6
55.50829	0.4
57.03320	4.6
58.00473	2.7
59.01252	66.1
60.01577	1.0
66.01232	0.4
67.20433	0.4
67.81921	0.3
69.03333	1.7
69.20124	3.1
69.20538	0.9
71.01254	100.0
71.04916	0.4
72.01588	1.6
72.99184	3.7
73.02819	24.5
74.03189	0.5
75.00739	1.8
77.80200	0.4
81.03321	0.8
82.82467	0.4
83.01260	10.8
84.02048	0.7
85.02824	38.4
86.03189	0.6
87.00753	5.0
87.04391	2.0
89.02318	37.8
90.02654	0.6
93.03330	1.3
93.66938	0.4
95.01262	7.2
96.30410	0.4
96.95895	0.4
97.02839	2.2
99.00766	9.6
101.02325	70.1
102.02676	1.5
111.00789	0.4
112.01544	0.8
113.02332	40.9
114.02699	1.0
119.03385	15.2
125.02331	3.5
129.01837	1.3
131.03395	1.6
136.01671	0.4
143.03413	5.3
149.04453	1.0
150.85298	0.4
151.03929	0.9
159.02890	8.6
161.04466	47.3
162.04797	1.6
173.04501	0.9
179.05530	4.6
191.05566	3.4
192.05948	0.4
195.06561	0.5
205.03386	1.8
255.19682	2.8
297.41644	0.5
399.68945	0.5
417.25040	39.0
418.25388	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	417.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01603	0.8
62.41245	0.5
77.29961	0.4
83.14903	0.6
117.78339	0.6
288.77374	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
56.64626	0.5
59.01249	100.0
70.83651	1.0
70.83993	0.7
71.01252	1.5
76.02348	0.5
81.03297	0.6
85.02848	0.9
88.27898	0.5
89.02345	1.1
93.03330	0.7
96.34443	0.5
98.19993	0.7
111.00775	1.1
125.02318	1.1
135.04416	0.5
146.59605	0.4
147.58897	0.6
147.86128	0.5
173.00928	0.6
174.01689	0.8
176.08333	0.6
181.05089	0.7
191.05536	4.2
226.09085	0.5
247.66870	0.5
367.14105	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2491
Annotation	Dendronobiloside B
Peak:m/z	Relative Intensity
55.01756	4.4
57.03327	4.6
58.00461	2.1
59.01250	68.0
60.01604	0.6
67.01701	0.7
69.03343	1.1
69.26146	3.3
69.26575	2.3
71.01251	100.0
72.01582	1.7
72.41517	0.6
72.99177	5.7
73.02820	20.9
75.00745	3.3
79.95589	0.6
81.03336	1.3
83.01256	9.2
85.02822	35.4
86.03162	0.8
87.00745	5.6
87.04387	2.0
89.02316	48.2
90.02641	0.6
93.03336	1.3
95.01273	5.1
96.95882	1.0
97.02810	1.3
99.00748	8.6
101.02319	68.8
102.02637	1.2
104.34168	0.5
111.00776	0.9
112.01591	0.7
113.02328	40.2
114.02628	1.0
119.03387	23.9
119.04859	1.7
125.02335	4.3
125.47957	0.5
129.01810	1.9
131.03383	3.0
135.04393	0.8
143.03386	7.1
149.04416	2.3
159.02890	7.4
161.04459	39.7
162.04736	0.8
173.04431	1.2
179.05516	8.3
181.05019	0.6
191.05560	4.8
195.06543	1.0
205.03453	1.7
255.05600	0.6
255.19554	3.5
341.10818	1.0
372.91251	0.7
375.18387	1.2
417.19443	3.3
417.24817	28.9
418.25140	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	417.1403
Annotation	Itoside I
Peak:m/z	Relative Intensity
51.33280	0.8
53.41706	0.6
58.00450	0.9
59.01255	19.2
65.03826	2.5
67.01772	1.3
68.99702	5.3
69.03326	15.2
71.01254	11.4
72.99179	5.9
73.02821	1.4
75.00754	1.1
81.03342	9.2
85.02830	3.8
87.00760	1.2
89.02316	9.4
91.05417	4.1
93.03325	1.7
95.01274	2.2
95.04933	0.8
97.02862	0.7
98.19660	1.2
99.00757	1.1
101.02325	18.1
108.56701	0.7
109.02842	100.0
109.06485	14.1
110.03187	2.8
113.02324	4.4
117.01842	0.7
119.03402	4.8
121.02856	1.1
123.04417	5.9
125.02391	1.6
127.03989	1.6
135.04477	1.4
141.05479	1.6
143.03427	1.2
147.02911	2.0
149.04459	0.7
149.06023	0.8
149.26256	0.8
151.07550	1.5
153.01857	2.3
153.05493	3.4
155.03435	9.5
156.03786	0.8
161.04514	1.8
161.06007	3.3
166.02614	1.2
173.04494	0.9
179.05554	1.7
179.07082	8.7
181.04951	1.4
185.04526	5.7
191.01930	1.7
191.05540	5.6
205.05026	1.6
205.49165	0.8
211.05989	1.5
223.06088	0.9
224.10934	0.6
225.07655	1.4
237.04106	1.2
237.07755	4.2
243.12187	0.9
255.08682	4.1
261.06265	0.7
325.05838	0.8
335.68402	0.8
341.12436	14.8
342.12833	1.3
385.11948	0.8
396.16946	0.7
417.14252	11.2
418.14325	1.2
440.68381	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	2.3
61.86085	0.2
65.00192	0.2
67.01754	0.4
68.16099	0.2
68.99675	0.2
69.03316	0.5
71.01254	1.5
71.51561	0.3
73.02824	0.4
75.00737	0.5
81.03327	0.7
84.02058	0.2
85.02834	1.2
87.00755	0.3
89.02310	0.9
93.03339	1.2
95.01263	1.2
95.04896	0.7
97.02828	0.2
101.02319	0.9
107.04881	0.3
108.02056	0.3
109.02834	4.0
109.58955	0.3
111.00775	0.7
112.36582	0.2
113.02335	0.5
118.95696	0.2
119.03416	0.2
119.04931	0.2
121.02831	1.1
123.00770	4.2
123.04411	0.7
124.01577	0.5
125.02348	1.6
131.04898	0.3
133.02870	0.6
135.00768	0.3
135.04398	0.7
136.01527	0.3
137.02342	15.4
138.02763	0.4
139.00281	0.4
139.03906	0.9
145.02913	0.3
147.04420	0.4
149.02353	1.8
149.05948	0.4
150.03156	0.7
151.00267	25.8
151.03889	1.8
152.01086	2.6
152.04680	3.0
153.01759	0.5
153.05423	0.5
154.02570	0.4
159.04445	0.5
160.05161	0.3
161.02295	0.4
161.04413	0.5
163.03882	0.8
164.04767	0.3
165.01848	1.2
166.02623	66.9
167.03317	5.1
173.02304	0.3
173.04434	0.6
173.99283	0.2
174.03178	0.4
175.03902	1.7
176.01151	0.3
177.01857	4.2
177.05447	0.7
178.02548	0.6
179.03355	1.2
179.07021	0.2
181.04980	100.0
182.05321	4.8
184.03687	1.5
187.03838	0.3
189.05479	0.6
190.02693	0.3
190.06268	1.3
191.03424	1.2
191.05522	3.1
192.04243	1.4
192.05792	0.4
193.04906	1.3
195.02890	0.6
195.06711	0.3
203.03435	0.5
204.04079	0.3
205.04991	1.3
205.08604	2.3
206.05632	0.3
207.06572	1.6
209.04530	0.5
217.04939	0.5
218.05856	0.3
219.06609	0.8
220.07335	0.3
224.03258	0.4
233.08176	0.3
237.14926	0.4
243.06786	0.3
257.27097	0.2
299.05530	0.3
301.07309	0.5
309.08749	0.3
314.07944	0.4
329.10358	0.5
341.10770	0.2
356.12671	0.4
357.09659	0.4
357.13345	0.3
359.11426	2.3
371.14868	0.9
372.08554	0.4
386.79044	0.3
387.10828	15.1
388.11127	2.0
402.13174	13.8
402.18616	0.4
403.13535	1.7
417.15561	31.6
418.15842	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	415.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20095	0.6
54.78719	0.6
56.60735	0.7
56.90000	0.6
59.01235	2.2
65.66223	0.7
71.01249	1.1
74.98972	5.9
77.00535	74.8
79.21264	0.7
89.02303	1.5
94.73972	0.6
98.19815	2.4
99.04408	1.4
101.02320	1.0
113.02180	0.6
147.04367	1.3
147.08069	2.3
149.09618	1.2
158.73349	0.6
161.09637	0.8
163.11221	2.7
170.03746	0.6
187.11250	2.2
192.07909	0.8
257.00354	0.7
279.13965	1.4
280.14752	1.0
289.21725	2.2
307.17117	0.7
309.22278	2.3
322.19647	0.9
337.21732	100.0
338.22055	12.0
371.25839	1.3
415.23093	12.7
416.23260	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84673	4.3
59.01250	100.0
59.66027	4.4
67.08746	3.9
71.07137	8.8
106.24960	4.3
207.46835	4.1
341.32059	4.7
391.36258	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	416.0833
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16063	3.8
58.43728	3.9
59.01242	10.9
61.15594	4.2
61.98702	8.8
63.12664	4.1
71.17233	9.6
85.02851	6.8
88.19733	4.0
95.04861	4.2
123.63136	4.9
160.21916	4.0
191.05527	100.0
192.05876	5.6
209.41452	4.1
209.43454	3.9
211.41016	4.6
226.09691	4.5
261.00873	4.7
353.08902	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	2.8
59.01252	28.0
63.04319	2.3
67.01755	19.2
68.99692	16.9
69.03316	3.3
69.49254	14.7
71.01254	17.1
72.99178	15.7
73.02827	4.9
75.00744	6.3
81.20750	2.4
85.02818	9.8
87.00747	15.9
89.02308	9.1
95.04900	100.0
95.45289	2.2
96.05226	2.4
98.20525	4.9
99.00786	2.6
101.02329	37.7
103.00265	4.2
105.01817	7.7
111.00750	9.0
113.02332	16.7
115.59904	2.2
117.01803	3.0
121.02834	22.8
123.04403	6.7
125.02303	4.0
126.52807	2.2
127.03901	68.0
129.01773	3.4
131.03343	5.0
139.00256	37.2
139.03929	11.5
147.04443	3.2
149.02336	2.8
151.03828	3.2
165.05476	7.7
175.02374	9.8
177.05463	2.8
181.04985	2.6
193.03445	15.5
209.04480	4.9
223.06088	2.7
241.07188	8.0
251.05417	3.2
385.07327	2.4
392.58182	2.6
417.10342	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	415.1609
Annotation	2-Phenylethyl beta-primeveroside
Peak:m/z	Relative Intensity
55.01764	0.6
56.43941	0.3
57.03321	0.9
58.00472	2.9
59.01254	64.2
59.39624	0.3
60.01582	0.6
69.03331	0.9
69.29559	2.6
71.01257	56.5
72.01606	0.7
72.99187	2.7
73.02824	12.1
75.00733	0.6
81.03331	0.4
83.01260	1.8
85.02827	7.5
85.63300	0.3
87.00301	0.3
87.00741	1.6
89.02322	100.0
90.02647	1.3
93.03358	0.3
95.01270	1.4
97.02832	1.4
99.00764	18.2
100.01100	0.3
101.02328	34.5
102.02665	0.6
113.02335	12.3
114.02619	0.4
119.03394	9.4
121.02808	0.3
125.02337	3.9
131.03407	17.5
132.03751	0.4
143.03381	2.1
149.04468	50.3
150.04802	1.6
155.03427	0.4
161.04514	3.1
173.04442	0.5
179.05545	3.8
191.05557	14.6
192.05876	0.5
221.06551	1.2
237.28384	0.3
251.07782	2.7
273.93622	0.3
293.08475	0.3
311.10016	0.4
365.51093	0.3
415.16156	5.7
416.11761	0.9
416.16586	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1247
Annotation	Alpinoside
Peak:m/z	Relative Intensity
50.93151	2.1
51.79417	1.9
58.00467	3.6
59.00959	4.2
59.01249	75.0
69.03323	100.0
69.41929	16.6
70.03683	2.8
71.01254	58.7
72.99172	11.9
73.02817	12.9
73.21722	2.1
75.00753	3.8
82.72538	1.9
83.01264	4.8
85.02822	13.7
87.00753	8.0
89.02314	42.9
90.07202	2.3
93.03323	9.4
95.01273	7.5
95.04905	39.8
97.02814	17.2
99.00759	4.0
101.02321	32.7
108.02048	32.1
109.02856	18.6
111.00727	3.0
113.02338	20.1
119.03378	18.9
119.04868	2.2
121.02828	6.9
121.06477	14.0
123.04401	3.6
125.02296	2.8
126.43658	2.2
128.27124	2.0
130.60699	2.1
131.03360	3.0
137.02332	4.4
139.03903	12.6
141.01738	1.9
143.03381	4.9
147.08070	10.7
149.02348	2.8
149.04500	2.1
149.05969	7.7
151.03879	3.0
152.01056	39.1
153.01863	12.5
153.05487	4.2
161.04454	6.3
165.09111	29.4
167.03397	7.3
173.04390	3.0
179.05487	3.7
191.05455	7.7
191.07056	30.5
193.04922	12.8
235.13390	5.3
315.07364	4.3
355.10657	3.5
357.08304	8.2
371.13440	72.7
372.13516	5.6
380.18347	3.5
397.11212	3.3
415.12411	94.3
416.12747	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	413.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	3.6
69.44050	0.4
70.41064	0.3
71.01253	2.5
71.50330	0.6
73.02788	0.5
79.95598	5.5
85.02825	1.6
89.02313	1.6
93.03325	1.0
94.09599	0.3
95.01257	0.4
95.04900	0.8
95.95102	1.4
96.83243	0.3
96.95883	61.8
101.02308	1.3
105.71088	0.3
111.00739	0.4
113.02297	0.5
119.03431	0.4
121.02866	2.0
123.04382	0.7
137.02271	0.4
161.02243	0.4
163.03833	0.5
165.05423	0.6
173.04466	3.8
191.05478	0.8
233.08487	2.7
234.08643	0.3
235.10089	1.3
240.12308	2.2
251.09537	5.2
266.58884	0.3
278.95963	0.3
281.69376	0.3
293.10529	1.1
325.74597	0.3
413.14838	100.0
414.15161	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	413.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	100.0
59.60769	1.1
76.88492	1.0
83.85841	1.0
85.11938	1.1
98.20654	1.3
118.51981	1.0
140.17508	1.2
150.62988	1.2
229.41643	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
70.83377	5.7
70.83727	8.4
75.14417	3.7
84.36560	3.5
95.29816	4.1
128.72807	3.7
151.46768	3.6
157.75410	4.4
267.62851	4.3
351.60773	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	415.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
57.28448	1.0
58.00468	1.6
59.01250	61.3
62.18659	1.2
69.03325	100.0
71.01253	36.4
71.20943	2.2
72.99176	4.0
73.02833	1.7
83.01240	1.6
85.02824	7.6
87.00751	3.4
89.02316	42.9
91.05392	1.5
93.03371	2.2
95.01284	2.9
95.04900	46.0
96.05227	1.9
97.02845	2.0
101.02321	22.9
106.04103	1.8
113.02328	16.2
119.03395	19.7
121.06483	18.8
123.04420	1.4
129.06989	5.0
131.03453	1.5
132.05595	1.8
139.03922	10.5
143.03453	2.0
147.08049	16.2
149.04356	2.1
151.17233	1.2
161.04491	3.3
161.74709	1.2
165.09114	36.5
169.07478	1.3
179.05516	5.6
183.02950	1.5
191.05754	1.8
191.07071	36.4
192.07306	1.9
193.05038	2.6
209.08217	2.4
222.59157	1.5
235.06087	2.9
371.13428	30.6
372.13770	2.7
415.12491	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	413.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	2.7
59.01248	15.9
59.02292	0.6
66.81519	0.5
67.01711	0.6
68.23798	0.6
68.99673	1.7
69.03316	1.7
69.56503	0.5
71.01250	24.0
71.51129	0.6
71.51593	0.6
72.99178	5.3
73.02818	1.6
75.00745	13.2
83.01242	1.9
84.02032	0.6
85.02825	22.1
87.00738	8.7
89.02315	6.6
91.03874	1.4
93.03328	1.7
95.01254	5.0
99.00751	7.6
99.04379	0.6
101.02327	2.2
103.00246	7.8
109.02804	0.8
112.01553	0.7
113.02334	26.9
114.02637	1.2
115.00262	1.2
117.01845	3.2
117.03365	3.6
119.04917	35.0
120.05254	1.8
129.01830	2.1
134.03625	1.3
139.00217	0.8
145.02853	17.4
149.02380	0.6
149.04388	0.6
157.01349	1.6
162.01720	1.0
162.03130	27.9
163.03925	31.2
164.04146	0.9
173.04498	1.0
175.02402	1.8
177.05498	25.2
177.07060	1.2
178.05858	1.3
191.05603	1.1
207.05043	1.2
231.05080	1.0
237.07680	3.8
249.06123	23.1
250.06497	1.0
267.07199	100.0
268.07458	5.1
324.39633	0.6
347.46149	0.7
351.10974	1.3
395.09875	0.7
413.10895	53.1
413.15720	2.1
414.11172	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	413.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	1.0
55.76174	0.9
57.03321	2.8
59.01246	14.3
67.01740	1.1
68.63371	0.8
69.03340	2.0
71.01251	22.9
71.50323	1.2
72.99187	4.6
73.02810	2.3
75.00742	11.7
85.02819	19.8
87.00753	8.4
89.02319	7.8
93.03320	1.5
95.01255	4.5
98.51384	0.8
99.00748	8.6
101.02306	2.2
113.02329	30.4
114.02647	0.9
115.00238	1.7
117.01804	2.1
117.03342	3.1
119.04917	19.2
121.02852	0.9
129.01830	1.4
129.51431	0.9
130.01083	0.9
131.03465	1.2
134.26614	0.9
145.02846	18.6
146.03178	1.4
148.15498	0.8
163.03909	19.9
164.04179	1.4
164.85820	0.9
175.02409	1.9
183.10406	1.0
191.03564	0.9
191.05528	2.6
202.50061	0.8
203.07028	0.9
207.05066	1.6
221.08098	1.3
237.07597	1.8
249.06094	5.5
267.07199	100.0
268.07541	5.2
413.10889	22.3
414.10999	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	411.275
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63413	2.3
51.94588	2.5
59.01247	100.0
69.31259	14.5
69.31678	7.2
78.95775	9.5
98.19812	4.0
98.54121	2.5
152.99467	10.5
153.99792	4.2
154.99893	8.8
249.18759	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	412.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00205	3.6
58.00495	2.2
59.01247	47.4
60.01574	2.8
65.99709	19.5
66.03368	4.7
66.70441	2.1
67.01747	2.9
67.16445	2.0
68.01288	48.3
68.99671	3.3
69.03330	24.5
70.03664	3.1
71.01250	36.1
72.01591	3.2
72.99178	8.0
75.00735	2.2
82.02881	5.0
83.01311	2.6
85.02838	7.0
87.00741	12.0
89.02319	25.9
90.03349	5.7
92.01296	5.3
93.03359	4.9
94.02870	4.7
95.01265	4.8
95.04910	8.7
97.02829	71.6
97.64996	2.1
98.02361	7.6
98.03153	3.8
98.20577	5.4
99.00770	4.9
101.02319	16.3
107.04914	7.1
108.04461	5.0
109.02817	4.8
110.02370	8.3
113.02316	12.5
116.04930	3.6
117.01821	2.4
118.02869	27.7
118.06506	7.0
119.03361	11.7
119.04924	3.8
120.04492	3.7
121.02845	11.6
121.06453	4.3
123.04407	19.6
124.03934	2.5
130.06520	6.7
132.04472	3.5
133.06445	2.5
134.02370	2.8
135.04402	14.2
136.03859	2.7
141.01839	5.3
144.04471	11.6
144.08055	5.3
146.06018	3.3
147.04431	5.6
147.08044	2.3
149.02338	4.4
149.05986	8.4
150.01874	2.8
151.03879	3.5
151.43042	2.0
158.06070	2.5
159.03030	3.2
160.03960	7.1
160.07578	16.1
161.04529	3.7
161.05984	6.8
162.01871	11.5
162.05516	9.9
163.03929	2.8
167.07019	6.7
170.06049	5.3
172.03925	3.9
173.04515	2.8
175.07596	3.6
177.05321	2.6
178.05086	3.5
179.05518	3.4
186.05507	3.3
188.07095	100.0
189.05670	2.2
189.07442	7.6
190.05016	16.1
191.05595	6.3
193.05086	11.0
194.05353	7.3
203.07068	6.9
204.06606	4.8
206.08134	8.6
207.06563	2.8
229.11267	3.0
230.08174	24.4
232.06111	21.1
248.09224	5.6
267.06979	3.7
286.33105	2.9
334.08578	2.6
374.11786	19.8
375.11914	3.2
394.11270	3.3
412.12451	22.5
427.94821	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	413.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01739	0.6
57.03314	3.4
58.00465	1.0
59.00962	1.3
59.01249	19.4
61.98685	1.2
64.45908	0.7
64.85754	0.6
67.01745	1.0
68.99696	1.9
69.03321	1.3
70.37041	2.3
71.01257	25.7
72.99174	6.6
73.02808	1.8
75.00746	15.2
83.01264	1.4
85.02819	24.9
87.00748	11.7
89.02309	7.5
93.03333	2.2
95.01265	5.4
99.00755	11.9
101.02343	1.5
103.00260	2.6
109.02836	1.2
111.00765	2.1
113.02333	33.6
114.02658	0.7
115.00253	2.0
117.01814	2.7
117.03362	4.8
119.04916	49.0
120.05244	2.3
121.02815	1.1
129.01826	2.0
132.03938	0.8
145.02861	20.0
145.75807	0.7
146.03200	1.0
161.04335	0.7
163.03925	40.2
164.04253	1.1
175.02380	2.1
189.79312	0.7
191.05530	1.4
205.07004	0.9
207.05009	1.7
210.16049	0.7
223.21677	0.7
231.05037	2.2
237.07643	3.6
249.03529	1.3
249.06128	27.8
267.07196	100.0
268.07562	4.8
282.72745	0.8
390.41272	0.9
413.10867	41.2
414.11255	3.8
438.98398	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11512	0.7
55.01763	2.1
57.03313	2.2
58.00462	0.9
59.01250	100.0
60.01577	1.0
61.98701	1.6
62.64136	0.6
66.40181	0.7
69.03326	0.7
69.50798	4.6
69.51212	1.3
71.01253	34.7
72.99165	1.6
73.02814	13.8
75.00753	1.5
75.28294	0.7
77.05873	0.8
81.03360	1.1
83.01248	7.1
85.02824	18.5
87.00763	1.9
89.02305	6.6
93.03336	1.1
95.01272	2.4
97.02853	2.1
99.00747	6.5
101.02317	31.9
111.00769	1.6
113.02323	10.5
119.03384	1.3
125.02312	1.3
131.03400	1.1
137.02327	1.0
143.03416	2.0
146.92993	0.7
159.02921	3.9
161.04462	23.7
162.04851	0.8
173.04500	0.9
189.14935	1.3
191.05489	3.6
201.66513	0.8
205.03505	1.5
279.14481	31.3
280.14981	1.9
351.20215	34.3
352.20709	3.8
355.24722	0.8
367.05090	0.9
373.50702	0.8
411.18744	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	411.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11512	0.7
55.01763	2.1
57.03313	2.2
58.00462	0.9
59.01250	100.0
60.01577	1.0
61.98701	1.6
62.64136	0.6
66.40181	0.7
69.03326	0.7
69.50798	4.6
69.51212	1.3
71.01253	34.7
72.99165	1.6
73.02814	13.8
75.00753	1.5
75.28294	0.7
77.05873	0.8
81.03360	1.1
83.01248	7.1
85.02824	18.5
87.00763	1.9
89.02305	6.6
93.03336	1.1
95.01272	2.4
97.02853	2.1
99.00747	6.5
101.02317	31.9
111.00769	1.6
113.02323	10.5
119.03384	1.3
125.02312	1.3
131.03400	1.1
137.02327	1.0
143.03416	2.0
146.92993	0.7
159.02921	3.9
161.04462	23.7
162.04851	0.8
173.04500	0.9
189.14935	1.3
191.05489	3.6
201.66513	0.8
205.03505	1.5
279.14481	31.3
280.14981	1.9
351.20215	34.3
352.20709	3.8
355.24722	0.8
367.05090	0.9
373.50702	0.8
411.18744	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	409.0903
Annotation	Unknow
Peak:m/z	Relative Intensity
57.28728	2.6
58.00466	3.2
59.01252	97.4
64.14178	2.4
69.03324	53.3
71.01254	59.4
72.99168	4.1
73.49116	2.8
85.02822	9.9
87.00758	6.5
89.02315	57.5
90.02643	3.4
93.03353	15.6
95.01255	4.0
97.02828	94.1
98.03171	3.7
101.02328	34.0
105.03316	3.6
113.02336	20.3
115.95241	2.5
119.03391	22.5
121.02853	6.5
121.06430	3.5
123.04422	18.1
139.52417	2.7
141.01837	4.4
143.03314	4.1
147.04529	2.8
149.02290	2.7
149.05988	27.1
161.04517	3.9
167.06996	11.1
179.05518	4.5
193.05005	57.1
194.05377	3.5
343.93829	3.2
373.11356	100.0
374.11606	12.2
377.50839	3.0
409.12238	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	409.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00473	2.6
59.01251	66.0
60.99533	1.3
69.03319	2.3
69.74809	2.8
69.75206	7.7
71.01252	54.6
72.99181	4.6
73.02812	13.4
74.52224	1.3
84.88374	1.3
85.02816	5.0
89.02318	100.0
97.02837	2.7
98.20605	1.6
99.00756	24.3
101.02328	38.3
101.28805	1.4
102.48833	1.4
113.02323	9.2
119.03368	7.8
125.02361	4.7
131.03394	20.4
143.03514	1.6
145.40135	1.3
149.04459	74.5
150.03108	2.7
150.04916	1.7
161.04549	3.4
165.05505	5.6
179.05585	1.9
191.05550	16.4
193.04982	2.6
195.06587	2.4
215.75993	1.4
221.06621	2.4
251.07693	3.8
373.11414	7.8
374.11893	1.8
380.76367	1.8
384.51428	1.5
388.94650	1.7
409.16879	3.3
410.17404	1.8
414.03894	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	409.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10880	0.9
55.01738	1.8
56.66204	1.0
57.57800	1.0
59.01244	6.9
61.98691	2.8
67.85625	1.0
71.01237	2.5
73.02825	1.6
73.08355	1.0
78.95773	3.0
83.04886	1.0
84.69812	1.0
94.82619	1.0
99.00760	29.0
111.08066	1.3
117.01839	2.1
125.09584	2.3
127.11124	1.2
140.57367	1.0
151.11282	1.0
152.99492	4.6
153.12756	3.0
160.57625	1.1
167.10646	1.6
173.99120	1.0
179.14348	2.4
181.12181	2.5
197.11769	2.5
207.13914	2.2
215.12816	2.0
241.18579	1.1
247.20695	2.5
273.18707	2.1
281.21213	1.3
291.19656	22.8
291.22723	1.9
292.20059	1.5
300.73459	1.1
303.23071	1.3
309.20694	100.0
310.21075	11.8
347.22311	1.3
359.14059	1.2
409.23267	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.0903
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23940	1.9
55.61362	1.8
57.85497	1.8
58.00462	2.2
59.00961	3.2
59.01250	59.5
66.13841	1.7
67.01812	2.0
69.02976	2.0
69.03330	32.3
69.38190	5.5
69.38613	11.9
71.01250	31.5
72.99162	5.2
73.03312	1.8
76.86504	1.8
85.02814	7.4
87.00744	2.4
89.02320	32.9
93.03334	9.8
97.02826	46.0
101.02328	20.2
113.02343	12.2
119.03367	12.4
120.22189	1.8
121.02825	3.6
123.04395	8.6
123.05197	1.8
141.01924	2.8
149.05986	18.5
167.07030	6.8
179.05446	5.4
191.05458	5.5
193.05003	42.5
194.05283	2.1
373.11371	100.0
374.11685	8.8
406.84882	2.1
409.12415	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1744
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	1.6
71.01250	0.6
71.51833	0.7
78.95787	2.1
78.96193	0.4
79.95609	18.5
80.96395	2.2
85.02805	2.2
93.03323	0.7
95.95111	2.6
96.64548	0.4
96.95886	100.0
97.06445	0.9
109.02779	0.4
109.14954	0.4
120.99535	1.6
125.09621	0.4
127.11145	0.5
133.02855	0.5
134.03639	0.7
135.04420	1.3
153.15541	0.4
161.02322	0.6
164.98508	0.6
167.14343	0.4
171.10178	3.8
178.21393	0.4
179.03450	0.5
179.41182	0.4
183.13858	0.9
191.05542	1.8
193.42517	0.4
211.13393	3.7
221.11783	0.5
224.51016	0.4
229.14409	5.2
235.06497	0.9
239.12927	0.8
240.70363	0.4
271.02399	0.4
275.09274	0.6
291.19656	0.9
303.18695	0.4
309.10489	0.4
310.06931	0.6
327.21741	6.9
328.21967	0.7
407.17422	61.3
408.12466	0.3
408.17722	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	409.075
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	1.0
59.01246	10.8
69.63731	4.5
71.01254	11.1
72.99180	4.3
73.02810	2.6
75.00742	7.1
75.02454	1.0
78.95777	9.9
79.95613	2.0
80.96398	2.5
83.01260	1.5
85.00887	1.9
85.02821	4.6
87.00749	5.5
89.02332	6.6
93.03340	1.1
96.95888	100.0
96.96798	11.2
98.19902	1.5
99.00753	3.6
101.02308	5.5
103.00252	1.7
108.02074	1.4
110.98409	2.9
111.00786	2.5
112.98665	1.9
113.02313	3.5
115.00240	5.1
117.01855	1.6
119.03409	1.4
123.00794	0.9
127.01959	0.8
132.06195	0.9
138.96965	7.5
141.01811	1.0
142.99799	1.3
145.01361	1.7
147.31943	0.8
150.96901	1.1
152.01082	3.5
164.98485	0.8
167.03387	2.5
173.02530	1.7
179.05534	2.2
180.98010	1.2
190.04156	1.0
191.05508	6.4
203.07326	1.0
222.99228	1.5
233.04716	5.0
241.00201	40.3
242.00609	2.1
251.91664	0.8
262.06125	2.2
339.09457	1.5
371.11755	0.9
375.06644	0.8
391.12753	1.0
403.29861	0.8
409.03754	22.7
409.12289	1.5
409.16602	1.5
410.04831	2.1
410.09879	7.3
410.17914	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2131
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
55.01743	2.1
57.03323	13.9
58.00466	4.3
58.02858	1.3
59.01250	100.0
61.98669	1.2
69.03310	1.3
71.01254	73.7
71.50168	1.3
72.01613	1.3
72.99184	7.3
73.02823	4.4
74.02342	3.1
76.00700	1.0
78.00543	1.2
81.03320	1.3
83.01270	4.3
85.02815	14.9
86.02364	1.4
87.00721	5.1
89.02317	78.3
95.01268	5.1
97.02847	1.4
99.00748	1.5
99.05507	1.9
101.02320	46.2
109.02849	1.2
113.02329	30.8
119.03394	36.1
119.04890	1.3
122.03632	1.3
123.04417	1.2
123.08063	1.7
125.05996	5.2
128.03453	7.0
130.10049	1.2
131.03415	3.9
143.03394	4.9
143.04553	10.3
149.04495	3.9
149.06023	1.0
159.03008	1.7
161.04477	16.2
165.05409	1.3
165.09142	1.1
167.10669	6.6
169.38745	1.0
179.05620	9.9
187.03905	1.2
191.05589	3.2
210.08794	1.8
222.07440	1.0
224.65202	1.2
231.03001	1.8
243.15988	10.7
244.16229	1.3
254.07855	4.3
261.84775	1.2
272.08881	5.5
405.10422	3.2
405.21371	42.8
406.16431	4.5
406.21625	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	406.1637
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38095	3.8
59.01263	24.0
61.98706	100.0
65.89395	4.4
67.46162	3.8
70.77036	11.7
78.44103	4.1
78.95776	35.3
79.61315	3.7
88.49719	3.8
91.90522	3.9
93.46736	3.9
97.07482	4.4
99.92458	4.8
168.04228	5.6
289.84259	4.7
406.27246	20.3
407.11981	4.5
407.27643	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	407.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	12.7
59.01251	31.8
66.39350	1.7
67.01768	4.0
69.03335	3.6
69.22651	20.2
71.01259	14.4
71.04909	3.2
72.99194	2.5
73.02817	3.2
81.03343	8.2
83.04896	87.6
85.02812	12.6
87.00752	25.6
87.04408	3.7
89.02325	3.6
93.03329	30.6
94.03657	2.6
99.04397	27.3
101.02341	4.8
101.05980	4.0
108.19788	1.7
109.02853	2.6
109.06481	18.2
111.04398	7.3
121.02875	2.9
122.03629	3.9
125.05943	2.1
135.08072	2.9
137.02379	2.8
141.09134	3.0
149.02347	6.1
150.03114	20.9
151.07597	2.2
153.09102	16.8
155.03387	2.8
161.04474	6.6
165.05476	29.8
171.10181	42.2
172.10501	2.6
173.04474	100.0
174.04807	3.9
181.04965	2.0
191.03752	4.2
191.05534	84.4
192.05870	3.4
195.06587	14.7
197.08110	4.9
215.09196	5.6
233.10312	7.2
263.44647	2.0
271.02228	2.6
299.02130	2.1
347.17166	3.2
407.15302	3.7
408.09378	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	405.213
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
55.01748	1.6
57.03314	1.7
58.00463	1.3
59.01249	26.5
61.98697	2.1
70.27705	1.0
70.28100	0.8
71.01249	19.6
72.99181	1.8
73.02815	3.7
78.95786	1.2
79.95583	0.9
83.01249	2.7
85.02825	7.1
85.06468	2.5
87.00742	1.5
89.02316	10.2
93.03321	1.3
95.01266	1.7
96.95920	0.8
97.02807	0.5
97.06462	0.6
99.00758	3.3
99.65649	0.4
101.02320	12.3
113.02328	7.2
119.03394	4.3
131.03455	0.4
133.02885	0.9
135.04404	0.9
137.02315	0.4
143.03360	0.5
152.99478	0.9
155.14317	5.8
159.02771	0.7
161.02339	0.4
161.04434	0.9
162.03252	0.4
173.04398	0.5
177.02020	0.4
178.02597	0.9
179.05569	1.0
181.12206	0.7
181.15854	2.7
191.03906	0.4
191.05521	2.1
199.13319	13.0
200.13655	0.8
225.14862	3.3
244.05237	0.4
255.03058	0.6
263.05405	0.5
285.04340	0.4
307.07852	1.0
308.04993	0.6
308.08084	1.8
361.07132	0.5
387.20285	1.6
389.06696	0.9
390.07425	0.7
405.10583	2.9
405.21271	100.0
406.21579	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	405.1407
Annotation	Ipolamiide
Peak:m/z	Relative Intensity
55.01766	1.2
57.03324	1.9
58.00475	4.3
59.01253	100.0
60.01566	1.0
65.89407	0.8
67.01765	3.2
68.99696	4.6
69.03329	2.0
71.01257	57.1
71.04894	5.6
71.50820	1.3
72.01574	1.5
72.99179	4.8
73.02818	2.4
76.77686	0.9
80.68396	0.8
83.01261	2.8
85.02824	10.5
87.00742	4.0
89.02319	63.8
90.02650	1.4
93.03310	1.5
95.01286	4.8
97.06474	14.3
99.00786	1.0
99.04383	1.3
101.02329	39.6
102.02661	1.1
111.00771	6.2
112.06267	0.9
113.01633	1.6
113.02340	20.2
119.03394	27.6
119.04753	1.2
121.06480	2.6
123.04422	2.3
123.08021	2.9
125.05961	6.8
127.03894	5.8
131.03401	2.9
139.00270	12.5
143.03377	4.8
149.04413	1.9
149.05972	6.9
151.03929	12.7
153.05487	1.3
161.02376	1.0
161.04512	6.6
165.05432	2.2
167.07045	3.2
173.04391	1.6
179.03340	1.5
179.05568	8.9
181.08630	5.2
183.10234	1.5
191.05537	4.3
192.06032	1.0
193.05017	7.0
195.13708	1.1
211.06038	10.8
213.14854	1.7
225.07639	8.7
243.08626	1.4
243.12366	1.0
256.06137	1.0
258.06619	1.2
329.11456	7.1
345.15659	7.8
357.13361	1.5
373.11298	3.6
381.69724	0.9
405.13785	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52569	0.5
58.00460	0.8
59.01249	100.0
60.01576	1.0
61.98694	0.8
69.03340	1.3
70.95535	1.4
70.95863	0.9
71.01253	16.5
72.99181	1.4
73.02829	1.7
83.01274	0.7
85.02824	4.2
87.00769	1.6
89.02309	17.8
89.02834	1.1
93.03341	2.7
95.01271	1.2
99.00723	0.6
101.02322	12.7
113.02328	5.9
119.03387	8.0
123.04465	0.7
135.04446	0.7
141.05515	0.7
143.03360	1.1
149.04465	0.7
151.03915	1.3
161.04527	2.7
165.05490	0.9
170.41197	0.6
173.04489	1.0
179.03419	1.6
179.05582	1.8
183.10179	6.3
191.05486	3.4
229.09756	1.2
241.06172	0.9
255.07777	0.8
257.09348	1.3
269.09195	3.5
273.08774	1.0
283.10812	0.9
285.12436	2.4
311.10422	8.4
312.10651	1.3
329.11389	6.1
343.12790	0.9
345.15512	40.1
346.15903	3.7
405.17523	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	405.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	0.6
58.00459	1.6
59.01251	32.8
61.98716	2.5
62.45716	0.5
62.46082	0.5
67.01752	2.5
68.99686	39.6
69.03323	10.2
69.26826	0.5
70.00026	1.0
71.01250	23.5
72.01581	0.6
72.99174	1.9
79.01749	0.6
83.01252	0.9
85.02827	3.7
85.74412	0.5
87.00762	1.5
87.04402	1.9
89.02316	29.7
93.03329	1.6
93.52054	0.5
95.01263	27.9
95.04927	3.3
96.01646	0.8
97.02825	7.8
101.02322	100.0
102.02652	2.5
107.04893	1.3
108.02036	1.0
109.02842	1.1
111.00766	0.8
111.04417	0.8
113.02337	8.6
115.03996	0.5
119.03393	10.9
119.04865	0.9
121.02826	1.1
123.00771	0.9
123.04414	18.7
124.04778	0.7
125.02370	0.6
127.03928	3.1
131.03406	1.0
135.04333	0.7
137.02315	0.9
137.06001	0.9
139.03918	0.5
141.05478	51.2
142.05809	2.6
143.03381	1.4
147.04448	0.5
149.04475	1.3
155.03412	65.4
156.03792	2.6
156.04868	0.6
161.04503	1.1
163.03920	0.6
169.04897	0.7
179.03450	1.8
179.05585	2.9
181.04980	1.4
193.05002	1.0
197.04613	0.7
199.06056	1.7
225.04012	0.9
225.07649	1.7
243.08722	33.0
244.09099	1.8
361.11279	0.7
373.11328	0.7
405.10309	2.3
405.14160	2.3
425.76212	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12796	1.0
51.96718	0.8
52.81145	0.8
59.01239	3.3
61.98703	100.0
69.65667	5.8
71.01257	1.3
79.95649	0.9
88.40758	1.0
99.50971	0.9
101.02293	1.0
135.04366	1.6
188.34415	0.9
191.05495	3.1
243.93623	1.0
256.03528	1.1
285.03607	1.9
286.04343	1.3
307.53281	1.0
400.46628	0.9
404.08575	12.8
405.08630	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	405.1036
Annotation	Strictoloside
Peak:m/z	Relative Intensity
55.01750	2.5
57.03313	4.6
58.00443	4.0
59.01250	100.0
67.01716	2.6
69.03322	23.8
71.01251	60.3
71.05383	5.9
72.01585	2.6
72.99165	8.3
73.02802	4.0
75.00719	3.7
81.03314	6.2
83.01250	5.4
83.04913	3.4
83.35124	2.2
85.02820	31.2
87.00739	10.5
89.02317	55.2
91.05455	3.2
93.03336	28.8
94.80199	2.4
95.01281	8.8
95.04900	7.2
96.95900	3.0
97.02823	12.8
97.06460	4.7
99.00751	5.8
101.02314	36.4
103.00227	3.3
107.04896	26.8
108.02060	4.2
109.02838	12.1
109.06456	4.3
111.00769	26.7
111.04414	4.3
113.02328	31.6
117.01849	3.2
119.03403	23.8
119.04892	23.1
121.02862	17.7
121.06501	4.3
122.67993	2.6
123.04404	13.8
125.05981	12.9
126.16270	2.4
129.01799	4.5
135.04419	12.9
137.02350	20.5
137.05981	28.1
139.03885	6.4
143.03441	2.7
147.04443	4.4
149.05956	4.7
149.09550	4.0
151.03896	17.4
153.01862	2.9
155.03386	4.3
155.07137	2.5
161.04446	11.3
163.03937	13.9
165.05472	4.1
167.10674	8.7
177.05450	3.1
179.03444	28.9
179.05476	8.4
181.04973	31.3
183.06505	4.2
191.05414	3.3
193.04912	3.2
195.06563	2.4
197.04510	5.2
199.06035	8.8
225.03999	12.3
241.07159	3.1
243.05038	10.2
245.06685	5.0
343.10138	3.2
352.63544	2.6
359.10083	5.2
361.11337	20.7
362.11545	3.6
387.09424	6.1
405.10352	90.4
406.10709	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	405.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	1.0
57.03333	2.3
58.00473	3.8
59.01254	97.1
60.01593	0.9
61.98693	0.7
67.01768	0.9
68.99697	8.0
69.03330	1.6
69.54403	0.6
71.01257	51.9
71.51154	0.6
72.01600	0.7
72.99187	4.5
73.02827	2.6
83.01254	4.6
85.02830	11.0
87.00754	2.9
89.02322	49.0
90.02676	0.8
92.17345	0.7
93.03358	3.3
93.06970	0.8
95.01267	3.7
95.04917	1.0
97.06480	1.7
99.00790	0.9
101.02332	39.2
102.02679	1.0
102.49161	0.6
106.04134	6.0
107.04926	0.8
108.02052	1.2
113.02332	17.2
114.02678	0.8
116.12446	0.6
119.03396	22.2
121.02847	1.2
121.06493	27.4
122.06816	1.6
123.04411	3.8
123.08035	1.3
125.02317	1.2
125.05949	3.3
131.03426	1.4
135.04308	0.7
137.05867	0.7
139.07558	1.0
141.05487	0.7
143.03429	2.3
147.04440	2.6
149.02438	0.7
149.04906	0.6
149.05977	5.2
150.02959	0.6
151.03889	2.3
151.07523	0.7
153.09103	0.7
154.28354	0.7
155.03415	1.0
161.04456	2.9
165.05484	2.8
167.06990	0.9
179.03477	4.6
179.05492	3.3
181.08636	39.3
182.08972	2.5
183.06558	1.6
183.10196	1.7
187.24033	0.6
191.05556	2.2
193.05055	3.4
195.06509	0.7
220.05898	0.7
225.07689	2.8
311.10275	0.9
329.12347	0.9
331.94122	0.7
373.11401	100.0
374.11774	8.7
377.14398	1.9
405.14044	18.8
405.35889	0.6
406.14474	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	59.8
67.01755	9.2
68.99673	7.9
69.03321	27.3
70.51680	5.9
70.52032	4.1
71.01252	42.2
72.99201	3.0
83.01236	2.3
85.02868	3.7
89.02317	55.3
93.03304	2.9
95.01262	3.6
95.04907	31.3
101.02326	41.7
111.00764	18.6
113.02331	18.6
119.03401	24.7
121.01962	5.3
121.02841	100.0
121.06417	4.9
122.03171	5.1
123.04402	19.7
127.03898	11.0
130.64084	2.5
139.00267	14.4
139.03926	4.2
143.03357	6.6
147.04413	5.0
149.02290	4.3
149.04369	3.5
161.04449	5.2
165.05487	37.3
176.10576	2.1
179.05501	17.7
179.07024	6.9
181.04958	5.5
191.03444	3.7
213.48347	2.6
223.06026	14.6
235.62634	2.3
244.06277	2.7
371.09854	38.5
372.09796	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	8.3
65.56162	1.5
69.46071	3.3
69.46482	10.2
71.01248	2.9
72.44209	1.5
72.99185	1.6
80.04925	3.3
93.03324	3.0
101.02284	1.7
108.04443	3.2
111.60732	1.7
118.24055	1.8
121.02782	2.6
122.06010	10.6
130.02878	3.1
132.04427	18.6
136.04002	2.0
138.05498	2.0
147.03160	7.1
148.03983	7.5
150.05499	4.7
152.20116	1.6
158.02391	8.9
160.03943	10.7
161.04543	1.8
162.05496	4.3
164.03386	2.6
167.80946	1.6
174.05464	3.1
175.02655	10.3
176.03479	20.2
176.07062	3.1
183.09262	1.9
184.07605	3.0
190.05043	14.4
191.05658	3.7
192.02910	2.3
192.06584	2.0
196.11270	3.0
199.08698	4.0
199.65076	1.6
203.02257	2.2
204.02971	14.8
209.07101	3.9
211.12363	5.3
212.05766	4.2
212.10756	3.7
213.06631	3.1
215.11859	5.2
215.16602	1.6
223.08678	4.6
224.07350	3.1
224.09470	15.2
225.06583	5.4
226.07410	3.9
227.08215	15.3
230.81712	1.8
234.04025	7.1
235.04884	4.2
236.05585	2.7
237.10475	2.8
239.08195	5.6
239.11855	27.5
240.05408	2.7
240.10226	7.8
241.09721	8.1
243.07639	3.6
243.11348	8.2
250.07515	3.3
252.05356	3.1
253.06175	26.1
253.09853	5.2
254.06621	4.1
255.04115	4.0
255.07661	7.6
255.11374	7.3
265.06250	4.4
265.09726	5.9
266.06949	2.7
267.07697	10.7
268.08524	11.9
269.09457	7.6
271.07169	5.7
281.09290	16.5
283.10901	76.1
284.11145	6.1
293.05746	2.4
294.06482	10.8
297.05093	2.7
299.07019	1.8
299.10172	3.2
309.08810	43.3
310.08984	4.9
315.13568	3.1
327.09860	100.0
328.10269	10.4
341.11298	11.2
343.09332	1.9
353.07574	10.3
359.12500	6.8
371.08829	86.9
372.09128	8.1
385.10416	7.3
403.11450	83.4
404.11792	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	403.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	13.2
61.98705	4.7
67.01790	1.2
68.99732	2.0
69.03338	4.2
69.18661	2.5
69.19080	5.8
69.79139	0.8
71.01250	8.3
72.99217	1.0
80.04993	2.4
85.02866	1.7
87.00806	1.2
89.02329	10.5
90.65067	0.7
93.03422	2.4
95.01350	0.8
95.04902	5.7
101.02330	8.0
104.04988	1.6
106.80157	0.8
108.04494	1.5
109.02906	0.9
111.00767	3.7
113.02376	3.6
114.42297	0.8
116.04976	0.8
119.03387	3.8
119.04991	2.2
120.04473	0.8
121.02863	14.3
121.03682	1.0
122.06017	9.2
123.04397	4.7
124.07634	2.0
127.03917	1.6
130.02917	2.9
131.03752	0.8
132.04451	18.8
132.05400	1.1
133.04854	0.7
134.06102	1.3
135.04448	0.9
136.03967	1.0
137.02458	0.8
139.00331	3.4
143.03481	0.7
146.02428	2.4
146.03529	0.7
146.06064	1.8
146.40729	0.7
147.03204	3.7
148.03998	3.1
149.02370	1.1
150.05540	3.7
155.10808	1.0
158.02422	8.8
160.03964	11.0
160.05190	1.2
161.02477	1.1
161.04657	2.5
162.05565	5.2
164.07091	1.0
165.05524	3.9
172.11227	1.2
173.04538	1.4
174.02083	0.8
174.05551	1.8
175.02568	1.3
176.03448	14.2
176.04735	0.9
176.07054	3.7
177.04012	0.7
178.02686	1.5
179.03506	0.9
179.05591	1.8
179.07092	0.9
181.05074	1.3
183.09251	1.9
184.07710	2.3
185.07249	1.0
187.07559	1.8
190.05034	22.9
191.05562	7.9
192.06580	1.1
196.11302	2.6
197.07353	0.8
198.04370	1.8
198.09206	1.0
199.08597	1.1
202.04968	1.0
204.02977	1.0
204.06735	0.7
209.07208	3.1
211.06546	1.2
211.08685	1.3
211.12315	4.5
212.05910	3.4
212.10777	4.9
213.06622	1.3
215.11815	5.6
220.02405	1.5
223.06134	2.2
223.08755	4.9
224.07338	1.2
224.09457	13.6
224.11490	1.1
225.06708	2.7
225.10004	1.4
226.07210	3.8
227.08224	7.8
234.04025	4.6
235.04906	1.4
237.10246	1.1
238.08737	2.6
239.04628	1.3
239.08330	3.9
239.11874	34.2
240.05278	0.9
240.10526	8.9
240.12405	2.3
241.09795	12.9
242.10199	1.0
250.07538	2.1
252.05417	1.7
253.06169	28.5
254.03488	1.3
254.06819	3.5
255.07654	4.8
255.11398	8.2
256.08426	1.3
263.08325	0.9
265.09720	4.2
266.08112	1.3
267.07755	9.0
268.08521	16.1
269.08893	1.3
275.09229	1.4
281.09219	7.1
283.10886	80.8
284.11325	6.7
293.05759	1.4
299.10382	1.7
306.07349	1.7
309.08810	21.8
310.09103	1.5
311.06897	1.4
315.13556	3.8
327.09863	100.0
328.10196	9.1
341.11319	3.6
353.07977	4.0
359.12469	5.2
360.12866	0.9
371.08856	77.9
372.09088	9.9
403.11392	65.3
403.23218	1.3
404.11600	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	403.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	6.6
61.98705	4.1
67.01772	1.0
69.03326	2.3
69.15900	2.6
69.16315	5.8
71.01247	5.1
71.11394	0.7
72.99187	1.6
75.00747	100.0
78.95787	1.3
85.02824	1.2
87.00779	1.1
89.02313	4.1
93.03331	4.0
95.01241	1.1
95.04931	1.5
101.02325	2.1
108.02044	1.4
109.02869	1.1
111.00791	1.6
117.91543	0.7
119.03424	1.1
119.04931	3.0
121.02853	8.7
122.03656	1.6
123.00771	1.9
123.04405	2.9
127.03948	0.9
133.02899	3.7
134.03625	2.8
135.04428	2.8
137.02315	2.5
139.00276	3.0
141.49927	0.7
145.02788	0.7
147.04382	1.6
148.93599	0.7
149.02473	1.2
150.03142	0.8
151.03874	0.9
152.99490	1.4
153.01917	1.2
159.26343	0.8
161.02377	1.2
163.03888	1.2
164.01065	0.8
165.01836	2.1
165.05502	1.5
166.02649	0.8
167.03471	0.9
172.94290	0.9
173.04460	2.1
175.53633	1.5
177.01826	1.3
177.05496	1.8
178.01343	0.7
178.02637	3.8
179.03360	1.5
180.04184	0.7
181.05009	1.4
185.05980	1.0
187.03966	0.9
191.03822	1.0
191.05557	5.5
193.04973	1.2
194.02200	1.2
195.04417	0.8
197.06053	2.5
198.01572	1.7
199.00761	0.9
199.04057	0.9
209.04436	1.7
209.06198	1.3
211.04012	0.9
211.13422	1.6
212.03200	2.1
213.05511	4.5
223.04001	1.0
223.06097	0.9
224.04800	1.8
225.05545	6.3
236.04855	1.3
236.78203	0.7
237.05615	2.0
238.06351	1.5
239.07108	1.0
240.04233	1.3
241.05023	16.2
242.05603	1.8
245.04329	1.3
253.05028	9.2
255.06700	0.9
256.07385	9.3
257.04553	0.9
257.07965	0.8
267.06439	0.9
268.03790	1.9
268.07407	4.1
269.04660	5.6
271.06061	1.0
271.09772	3.1
280.03793	0.7
281.04608	1.9
281.10355	2.4
282.05338	2.9
282.17111	0.8
283.06094	2.7
283.09808	2.4
284.06992	2.8
285.03983	1.3
295.06137	1.7
296.06970	7.2
297.04074	20.5
297.07495	2.0
298.04443	2.3
300.06433	9.7
301.07083	0.7
306.07462	3.8
311.05588	5.9
312.06332	20.4
313.06940	2.3
315.08746	54.1
316.09100	5.5
327.08728	93.1
328.09125	11.0
343.11746	3.6
344.12369	0.9
345.09729	3.7
353.13928	1.7
371.09671	0.9
371.15240	1.1
373.09155	16.1
374.09741	1.6
385.09283	26.6
386.09698	2.4
388.11688	2.1
403.10233	4.0
403.14041	6.0
404.10703	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	401.1451
Annotation	Benzyl alcohol beta-D-xylopyranosyl (1->6)-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01750	5.3
57.03313	3.6
58.00481	0.7
59.01245	26.2
69.03305	0.8
71.01251	51.8
71.05341	1.3
72.99183	1.7
73.02816	19.1
75.00746	1.0
76.48112	0.5
83.01252	9.1
85.02821	21.3
87.00733	2.0
89.02314	7.2
95.01254	3.6
97.02816	1.6
99.00764	8.0
99.39240	0.6
101.02321	38.4
111.00700	0.8
113.02322	20.0
115.54851	0.6
125.02319	2.2
129.01823	1.0
131.03368	1.8
137.11823	0.8
143.03392	3.3
143.24110	0.6
149.04486	1.0
159.02888	5.6
160.54744	0.7
161.04462	48.0
162.04826	1.9
166.55128	0.5
173.43863	0.6
177.88780	0.5
182.02393	0.6
191.05522	1.1
203.09598	0.6
203.20708	0.6
205.03468	0.7
233.06566	0.9
269.10281	100.0
270.10693	6.9
374.22021	0.8
401.14502	10.3
402.14795	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	403.013
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	0.9
59.01252	4.0
61.98710	3.5
63.02262	2.9
65.00197	13.1
67.01767	0.4
68.99695	0.6
69.03325	0.9
70.53336	1.4
71.01257	2.6
72.97406	1.8
78.95780	0.6
81.03327	0.5
83.01253	6.4
83.29485	0.4
84.18352	0.4
85.02818	1.1
87.00771	0.6
89.02335	1.9
93.03329	1.6
95.04897	0.9
101.02316	1.4
105.03356	1.1
107.01270	17.3
109.02834	0.8
111.00760	1.0
113.02299	0.7
115.94678	0.4
121.02867	3.3
123.04373	0.7
124.01535	0.5
125.02358	7.2
125.57043	0.4
126.36713	0.4
133.02852	8.5
134.03654	4.0
135.04434	2.2
137.02341	3.8
139.03877	1.2
149.02377	1.1
150.03156	0.9
151.00276	38.5
152.00639	1.7
152.99551	0.6
161.02364	0.8
161.05954	0.5
162.03154	0.9
165.00070	21.2
165.05420	0.7
166.00458	1.1
169.01295	0.8
173.02432	0.5
173.04482	0.9
174.03166	0.6
175.03993	0.7
175.53572	0.9
177.00240	1.0
177.01862	2.4
178.02632	9.0
179.01653	2.7
179.03354	1.9
179.07034	0.4
179.98776	1.1
180.04149	0.9
185.05946	0.7
187.03902	1.4
188.72377	0.4
191.05634	2.2
195.06604	0.4
199.03981	2.4
200.04715	0.9
203.10707	0.5
204.99593	3.7
207.01091	0.6
209.08055	0.7
211.03957	0.7
211.13377	0.7
213.05527	1.4
227.03505	1.6
228.04222	0.9
231.01202	0.8
232.03702	0.6
232.99118	5.6
242.05559	0.5
247.09448	0.4
255.03053	7.0
256.03674	2.3
257.04529	5.4
271.00543	0.4
273.02386	1.3
275.09329	1.6
276.98126	3.3
281.10349	0.6
283.02499	5.9
283.13260	0.5
284.03268	4.9
285.04028	20.3
286.04370	1.7
287.00055	0.6
297.02264	1.3
299.12970	1.1
306.07471	15.3
307.07828	0.5
309.15198	0.6
311.12881	2.2
313.02109	0.6
314.99680	3.8
315.03308	2.0
315.06628	0.5
316.00372	2.5
317.01236	100.0
318.01572	9.0
329.13913	1.5
331.02853	9.6
341.01147	2.3
353.13965	3.5
359.02585	1.9
359.18683	1.5
361.18494	0.4
371.10135	0.6
371.14883	4.8
403.01294	0.7
403.13327	0.8
403.18140	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	401.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09480	1.7
56.10365	2.1
59.01250	100.0
71.01246	5.6
71.49738	2.4
88.76775	1.7
89.02313	3.3
93.68095	1.8
109.84755	1.8
133.02979	1.8
146.03624	17.9
161.05963	5.5
164.04678	15.3
173.04466	3.3
179.07047	58.1
191.05515	13.4
209.00723	2.6
217.59605	2.1
301.67538	2.2
315.02890	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81992	0.7
59.01249	100.0
60.01597	0.7
70.79621	1.7
71.01250	2.3
75.13983	0.7
89.02308	1.4
138.80901	0.8
146.03635	19.3
157.99811	0.7
161.04666	1.3
161.05968	8.8
164.03436	1.4
164.04709	15.2
165.05045	1.2
177.08087	0.8
179.07056	64.0
179.68547	0.7
180.07350	3.6
184.41115	0.7
191.05460	1.3
205.26685	0.8
226.99655	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1086
Annotation	10-Dehydrogardenoside
Peak:m/z	Relative Intensity
57.99037	1.0
58.00466	1.2
59.01248	41.0
67.01759	3.2
68.99677	6.8
69.03330	5.2
71.01253	23.3
71.38929	2.3
72.99181	3.2
75.00744	3.0
83.01260	1.8
85.02810	7.0
87.00741	6.3
88.85198	1.1
89.02316	25.5
93.03333	4.4
95.01258	17.0
95.04900	1.6
97.02831	1.8
99.00745	2.4
101.02317	35.0
105.01830	2.4
109.02819	2.2
111.00742	1.7
113.02325	13.9
115.00278	2.0
119.03392	10.7
121.02847	2.9
123.04401	32.2
125.02267	1.8
127.03910	4.9
131.03377	2.3
133.02815	2.0
135.04414	4.2
137.02344	9.2
143.03479	2.1
149.02318	5.4
151.03891	6.4
155.03406	54.4
156.03775	2.0
156.50256	1.1
161.02370	8.4
161.04410	1.6
173.04527	1.4
175.02379	3.6
179.03410	6.1
179.05533	4.5
189.01892	5.7
191.05556	5.9
193.05008	3.2
221.04497	100.0
222.04939	7.1
225.07591	6.2
239.05466	3.0
245.06647	3.3
341.08667	2.4
401.10886	43.5
402.11191	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	401.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25529	5.0
59.01250	72.9
71.01250	50.7
71.13434	10.6
73.02846	5.0
85.02827	12.1
87.00765	25.7
89.02299	54.8
101.02323	24.3
109.48701	5.5
113.02333	20.2
119.03387	17.5
137.00430	5.5
161.04379	7.8
179.05551	32.7
179.06931	9.0
191.05566	15.7
265.07077	9.0
295.08221	12.9
341.10825	100.0
392.24222	5.5
401.10449	31.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	1.4
59.01255	6.2
61.98681	1.1
70.47614	2.6
70.47960	0.9
71.01253	20.7
72.99184	5.8
73.02813	1.0
73.20461	0.8
78.95771	1.3
97.06476	1.3
105.01817	1.6
109.06418	1.3
110.07710	0.9
111.08059	1.3
115.00255	5.1
123.08050	3.9
123.33865	0.9
125.09617	4.3
127.11205	2.6
133.01315	1.4
141.09145	1.3
143.82443	1.0
152.99464	2.5
153.09073	1.9
155.10667	3.4
161.02328	1.1
162.76445	0.9
169.08592	1.8
183.13930	1.5
191.05394	1.5
199.09686	1.6
219.17500	16.8
223.13406	2.0
235.16869	1.2
237.18504	5.4
253.08891	1.0
263.16513	13.0
270.55225	1.0
281.17572	100.0
282.17938	8.6
379.17667	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	399.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	28.8
65.72745	0.9
69.03324	2.0
70.94384	1.0
71.01247	2.0
71.50436	1.2
71.50835	1.3
78.95757	2.2
84.88992	0.9
85.02835	3.0
87.00743	1.0
89.02339	1.0
93.03345	1.3
111.04410	1.3
123.04383	1.5
134.03661	1.1
149.02298	1.0
152.99486	3.9
155.03490	1.0
161.02374	1.0
162.03131	68.0
163.03516	2.2
173.04538	2.0
177.05482	100.0
178.05809	3.9
191.05528	14.7
195.06575	1.8
197.14995	1.1
209.19139	1.1
315.23447	1.0
399.13214	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	401.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
58.57507	5.7
59.01235	23.3
62.57155	6.4
69.74310	32.6
71.01244	11.7
73.02831	7.1
78.10885	5.5
80.71829	6.3
85.02840	8.0
87.00760	100.0
89.02328	8.2
101.02285	6.6
107.06714	5.8
135.04407	11.6
137.02245	6.4
138.03140	6.9
145.24153	6.1
149.02296	10.2
151.00269	11.4
161.02354	19.1
163.03915	58.2
164.04716	37.0
165.05377	10.4
166.02678	17.3
173.02347	8.1
175.03896	10.3
176.04681	24.3
177.01874	7.4
177.05455	7.7
178.06253	31.4
179.03423	24.5
179.07059	52.9
181.04999	8.4
183.55359	6.6
191.03398	50.5
191.05127	7.4
191.07047	12.3
193.01222	9.4
193.04993	25.2
194.05692	12.4
203.03410	16.9
205.05013	17.7
206.05753	12.3
209.08134	19.1
219.02893	14.1
221.08145	12.4
234.05333	13.2
242.96356	6.7
247.02504	16.4
247.06084	9.3
249.07614	7.1
262.04803	14.3
265.07193	65.9
277.07181	28.4
295.08191	79.3
322.54608	6.4
355.10339	18.9
391.60022	7.0
401.10822	91.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2001
Annotation	Unknow
Peak:m/z	Relative Intensity
57.81154	0.3
59.01246	1.6
61.98700	100.0
63.75097	0.3
69.32639	0.6
69.33031	2.6
70.46434	0.4
73.02776	0.4
85.78586	0.4
142.38966	0.3
146.64429	0.5
184.01657	0.4
193.11761	0.4
196.73155	0.5
282.08557	0.5
296.09937	0.5
388.64383	0.4
396.19852	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	397.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00458	4.6
59.00957	5.2
59.01249	100.0
61.98693	5.5
68.80554	2.8
68.80920	2.6
69.03307	7.0
71.01253	84.3
72.99191	6.5
73.02821	19.8
78.95753	3.2
81.03306	4.7
83.01245	10.2
85.02812	21.5
87.00753	16.8
89.02311	70.1
95.01260	4.8
97.02840	16.6
98.11932	2.7
99.00760	7.1
101.02326	74.4
111.04359	4.8
113.02338	31.3
116.98620	2.8
119.03391	25.3
122.49206	2.6
125.02322	21.0
131.03395	5.1
133.04929	6.3
139.03917	4.3
143.03407	12.8
161.04446	16.4
179.05525	5.5
217.07047	3.0
221.06618	4.0
235.08200	21.9
253.09348	3.5
312.98178	3.3
397.13480	72.9
398.13733	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	395.192
Annotation	Creoside IV
Peak:m/z	Relative Intensity
55.01763	5.1
57.03319	2.9
58.00455	1.8
59.01247	33.8
60.01577	0.6
69.03341	1.1
71.01250	47.6
72.01615	0.7
72.99165	2.3
73.02814	22.2
75.00718	1.0
83.01256	13.2
85.02820	26.9
85.99970	1.8
87.00744	3.7
89.02311	8.8
93.03320	0.7
95.01252	3.7
97.02824	1.4
98.20654	1.0
99.00751	9.7
101.02317	52.4
101.09576	0.8
102.02655	1.3
111.00724	1.5
113.02326	19.6
115.03889	1.0
119.03391	0.8
123.04393	0.9
125.02309	2.8
125.06019	0.5
129.01825	1.9
131.03357	2.0
143.03395	1.2
149.04562	0.6
155.03415	0.8
159.02904	4.0
161.04451	16.3
163.44832	0.5
187.92767	0.6
191.05548	1.6
205.03415	0.7
224.77818	0.6
233.06534	1.7
263.14966	100.0
264.15308	5.7
307.14029	0.8
335.17017	1.7
395.19171	43.2
396.19516	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	393.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
57.28444	64.4
64.43978	83.0
69.11012	69.1
81.49313	79.2
85.93329	73.8
87.84091	68.2
97.99438	85.6
114.19045	76.5
124.73773	74.4
133.07216	71.1
151.25882	68.8
154.46701	76.1
167.95728	84.2
214.91406	76.6
235.95964	79.7
262.22391	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1841
Annotation	Unknow
Peak:m/z	Relative Intensity
57.67175	0.2
59.01258	0.6
61.98700	100.0
62.22217	0.2
62.84415	0.2
64.86002	0.2
78.95775	16.9
79.31872	0.2
96.95897	0.4
96.96848	0.6
98.19765	0.5
99.62936	0.2
106.35935	0.2
111.08104	0.3
116.19705	0.2
124.47652	0.2
197.11734	0.4
201.18539	0.2
229.33983	0.2
296.09943	0.7
309.20935	0.4
346.24585	0.2
394.18286	3.0
394.23752	3.6
395.24124	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1842
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99541	0.2
57.82149	0.2
59.01245	0.7
61.98701	100.0
64.71765	0.2
71.46281	0.2
71.50677	0.2
71.51128	0.4
78.95772	1.2
86.47276	0.2
160.23254	0.3
197.11815	0.3
209.97043	0.3
228.02197	0.2
296.09860	0.5
309.20892	0.3
394.18613	1.7
394.23260	0.5
395.18781	0.4
402.30215	0.3
412.08124	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.4
57.03320	1.4
58.00463	4.5
59.01249	92.0
60.01581	1.0
64.32882	0.4
69.03323	0.8
69.34474	3.1
69.34882	1.0
71.01251	65.5
72.01598	1.1
72.47530	0.4
72.99168	4.3
73.02816	17.6
75.00761	0.5
83.01289	2.0
83.04901	0.4
85.02377	0.3
85.02821	8.8
87.00762	2.5
89.02313	100.0
90.02662	1.5
95.01268	2.8
97.02836	2.1
98.20646	0.5
99.00755	25.3
99.04370	0.6
101.02320	37.2
102.02671	0.5
113.02326	14.8
115.03854	0.9
119.03391	14.3
125.02326	3.9
126.12696	0.4
131.03392	15.0
143.03412	3.6
149.04457	40.5
150.04784	1.1
161.04445	4.3
176.50569	0.4
179.05525	6.6
191.05545	12.5
191.07359	0.6
192.05885	0.7
221.06538	1.3
233.06627	1.2
251.07770	2.3
261.13382	1.9
369.37268	0.5
393.17578	18.1
393.28326	0.6
394.12100	0.4
394.17926	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83590	1.6
52.53954	1.5
57.03311	3.4
59.01244	31.3
60.79747	1.6
61.98684	4.5
68.04705	1.4
68.92360	1.5
70.02229	7.0
71.01237	2.0
78.72597	1.3
87.15710	1.6
88.92278	1.5
89.02325	2.3
94.53661	1.6
97.23306	1.6
98.19855	1.6
99.08068	3.2
99.92482	2.8
113.09609	5.8
115.27118	1.4
125.53815	1.4
128.86137	1.4
129.09129	3.1
139.11180	7.6
147.11716	2.0
152.39771	1.4
159.35301	1.5
165.12698	3.2
169.12216	1.7
171.10194	15.6
181.12222	3.7
183.13799	3.1
185.11676	1.9
192.12335	1.5
193.08353	4.3
197.11737	7.0
199.13316	3.1
201.11224	1.9
207.09920	8.4
211.13361	12.4
219.09898	13.5
220.10524	1.9
233.11546	33.1
251.11380	3.1
253.09319	1.8
279.10751	1.8
293.12344	3.5
293.21118	10.1
293.33316	1.7
311.22250	100.0
312.22647	10.3
315.19336	14.8
316.19467	2.2
333.20453	26.1
334.20947	2.7
338.95721	1.7
377.19659	7.3
393.21884	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	393.2257
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	1.6
59.01250	24.5
61.98701	4.9
67.01752	2.6
69.03349	1.2
71.01261	1.5
97.06415	1.0
99.08025	1.9
99.92462	1.7
101.02313	1.6
107.64751	0.9
113.09610	4.2
119.08549	1.4
127.03909	5.0
127.04730	1.0
129.09084	4.3
139.11182	1.2
147.11665	5.0
165.12732	5.7
167.05998	2.5
167.10620	1.1
169.12212	3.3
171.10190	1.7
181.12312	4.6
183.13812	2.4
189.39017	1.1
193.08389	1.5
193.12198	1.7
193.87489	0.9
197.11748	11.3
199.13304	6.9
211.13316	16.4
215.10460	9.3
219.10013	2.0
233.11548	100.0
234.11792	6.4
237.09779	1.1
249.13374	2.0
251.11378	3.0
259.09326	1.3
275.20129	1.1
279.10947	1.1
293.12408	6.4
293.21185	14.3
294.12466	1.1
298.99023	1.0
311.22256	90.7
312.22601	9.4
315.19318	1.9
317.13165	0.9
333.20358	6.3
349.15521	2.8
393.22504	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	392.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	23.6
61.98702	100.0
71.01254	3.4
71.51813	3.5
101.02296	3.8
106.08218	2.9
106.82472	2.7
133.48959	3.1
191.05548	8.4
232.31757	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	393.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.1
57.03320	1.3
58.00460	2.6
59.01250	78.6
60.01588	0.9
68.76662	0.4
69.03325	1.0
69.43591	3.2
71.01254	60.9
72.01582	0.8
72.99178	3.1
73.02818	15.2
75.00747	0.6
80.80222	0.4
83.01273	1.9
85.02818	7.2
87.00757	2.4
89.02316	100.0
90.02649	1.6
95.01257	2.0
97.02829	1.7
98.20524	0.6
99.00757	25.3
99.04430	0.5
101.02324	37.6
102.02678	0.6
106.99904	0.4
113.02333	15.7
115.03889	1.1
119.03393	15.8
125.02341	5.0
131.03397	16.9
143.03413	3.9
149.04459	50.5
150.04813	1.2
161.04486	5.0
179.05522	9.1
180.05856	0.4
191.05533	13.7
192.05930	0.5
221.06516	2.3
233.06657	1.1
240.04701	0.4
251.07756	3.5
261.13358	2.3
293.08740	0.6
379.99313	0.4
393.17630	25.7
394.17950	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51669	0.9
57.03328	1.9
57.72271	1.0
59.01249	34.2
69.03297	1.2
71.01244	1.4
76.21174	1.0
79.18927	0.9
83.04910	1.9
89.02290	1.0
98.20518	2.1
109.06474	1.3
111.08038	20.3
116.92746	1.2
147.11707	5.7
151.11150	1.6
151.66402	1.1
165.12717	4.5
169.12222	5.4
181.08633	1.0
193.12199	1.0
197.11758	70.4
198.12088	4.5
199.13284	1.7
211.13315	4.3
215.10503	7.8
219.10023	5.5
227.12877	1.3
233.11557	100.0
234.11845	5.8
249.13393	1.8
251.11375	4.9
252.08472	1.0
263.20099	2.5
279.10907	1.6
288.52841	1.1
291.19611	13.1
292.20032	2.2
293.12491	7.5
294.12717	1.5
309.20718	43.5
310.21057	4.4
313.17798	1.7
331.18979	6.6
391.21078	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	391.2099
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	35.0
66.91592	1.5
70.83962	1.4
71.01254	3.0
90.43421	1.4
97.02847	1.7
108.37698	1.7
111.08042	3.2
113.05955	1.5
121.02921	1.5
126.62731	1.4
132.18985	1.5
137.09521	1.5
139.07578	7.0
153.12738	3.6
167.10747	2.5
169.12265	2.7
181.12222	1.9
185.32404	1.4
197.11917	2.8
205.03482	3.3
209.11523	6.2
219.09966	8.0
221.11552	2.1
223.09358	2.2
229.07449	1.5
248.10272	4.0
249.11002	5.3
253.10547	8.3
291.19678	13.7
292.20020	1.6
294.09506	4.3
295.09784	1.7
301.17911	1.8
303.19418	2.7
309.20709	45.8
310.20996	4.3
331.18881	100.0
332.19220	11.4
363.16721	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	391.21
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03782	1.5
57.03328	1.8
59.00959	2.9
59.01251	52.9
61.98677	1.7
69.03345	1.4
71.01234	2.6
72.60181	1.5
73.02839	1.8
83.04888	1.5
89.02332	1.9
97.02859	1.3
97.06451	2.2
99.92452	3.2
101.02351	2.0
103.21728	1.6
109.06426	1.8
111.08050	38.3
112.08336	2.0
127.07577	2.3
132.26488	1.5
151.11160	4.7
153.12781	1.8
163.11134	1.9
165.12724	5.6
169.12299	10.4
183.13786	1.8
197.11761	100.0
198.12122	4.0
199.13342	4.3
202.22903	1.9
211.13274	10.2
215.10411	4.3
217.08383	1.8
219.09978	86.3
220.10304	4.9
233.11563	43.0
249.13348	3.0
251.11313	5.1
263.20145	5.1
265.17853	1.5
291.19629	17.9
293.12424	11.1
294.12952	1.4
305.04611	2.4
309.20700	82.6
310.21252	10.7
330.43710	1.6
331.18912	29.5
332.19107	2.6
375.17776	4.2
391.20078	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	391.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	29.9
61.98700	4.4
69.57623	9.0
71.01250	8.1
71.04900	1.5
72.99203	1.4
78.95763	1.8
79.95620	3.2
80.96404	2.7
81.95181	4.0
82.95975	4.1
89.02313	7.4
96.95901	11.3
98.95456	4.0
101.02327	4.6
104.07308	1.3
105.87390	1.5
113.02327	2.4
119.03404	2.0
135.04404	3.6
171.10184	3.0
179.05557	4.0
180.91592	1.5
183.13821	6.6
184.14130	1.5
193.12234	1.6
211.13335	100.0
212.13686	7.6
291.19632	5.0
293.20023	2.1
309.20633	2.7
311.21539	1.7
373.19843	2.2
391.16626	12.7
391.21997	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	391.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	2.0
59.01250	100.0
63.53522	1.0
69.42207	4.6
69.42631	5.2
70.53406	1.0
71.01256	12.2
71.95820	1.3
72.99241	1.0
73.02820	44.2
73.84602	1.1
83.01268	3.1
83.04884	2.1
85.02838	5.2
87.00746	3.1
89.02321	8.1
93.03320	5.4
96.34541	1.2
101.02319	9.1
113.02325	3.1
119.03378	1.8
154.01746	1.3
161.04475	4.7
165.67827	1.1
171.64218	1.2
173.04477	29.3
174.04790	1.9
187.66412	1.1
191.05550	10.3
217.10765	31.9
218.11185	2.2
251.65657	1.3
317.15955	1.6
324.56561	1.1
329.11411	2.0
331.17654	5.0
386.57587	1.3
391.14951	1.9
391.19778	32.3
392.19922	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	391.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.7
57.03321	2.0
59.01250	100.0
60.01584	1.3
66.65192	0.7
67.01776	1.1
69.03321	1.0
71.01251	9.4
73.02820	31.8
75.92677	0.6
78.71863	0.7
81.03344	1.0
83.01266	1.0
83.04896	3.1
85.02827	3.5
87.00781	1.0
89.02316	8.4
93.03338	5.8
95.01295	1.3
95.38498	0.6
99.00782	2.0
101.02329	6.9
113.02345	2.9
119.03390	1.3
137.75510	0.8
153.06778	0.9
155.03488	1.2
159.02963	0.8
161.04459	3.9
169.04791	0.8
171.10201	1.7
173.04465	26.6
173.11711	0.7
174.04834	1.3
191.05530	8.6
199.57831	0.7
217.10760	36.0
218.11191	1.8
303.16342	0.8
317.15976	1.5
331.17542	8.2
353.39716	0.8
391.19775	33.6
392.20065	4.9
401.96741	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51320	1.4
59.01248	33.7
67.31034	1.4
69.03317	1.8
71.01247	1.4
71.50516	1.2
75.36952	1.2
83.91341	1.3
88.28049	1.2
89.02294	1.2
93.03308	3.6
95.60524	1.1
97.02815	2.8
97.06468	1.4
107.04905	1.6
111.08025	2.8
123.04429	1.9
123.08058	1.5
125.09616	1.9
137.09575	1.9
151.07596	2.4
163.11182	3.7
164.71082	1.5
165.12755	4.7
166.01187	1.4
171.10210	1.8
171.71703	1.2
174.31194	1.3
179.14413	1.7
181.12221	2.1
193.08450	1.9
193.15884	1.4
197.11752	4.8
205.03409	1.6
207.09947	4.4
209.11723	1.9
209.15454	1.5
209.24242	1.2
211.13318	1.6
219.09984	8.7
223.13443	1.8
231.10008	2.1
237.43269	1.3
244.10706	2.1
245.11511	2.4
245.19115	1.9
247.20615	5.6
248.10265	4.4
249.93452	1.2
257.34586	1.3
263.19791	1.2
273.18570	2.0
287.16345	1.8
291.19644	49.1
292.20056	4.7
309.20685	57.2
310.21155	6.5
313.14386	2.7
313.17783	20.8
314.18359	2.6
331.18878	100.0
332.19211	10.1
391.20685	1.7
391.28622	9.6
392.28717	1.4
408.84793	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
57.30947	0.5
59.01250	100.0
60.01585	1.1
71.01257	7.4
73.02827	1.6
83.01261	0.6
85.02805	1.1
89.02312	10.9
89.02837	0.7
98.20605	0.8
101.02328	4.5
106.64670	0.5
113.02339	3.5
119.03378	4.2
124.33598	0.5
143.03413	0.7
149.04530	0.6
155.10735	0.6
161.04477	1.5
179.05559	2.7
184.67567	0.6
191.05591	1.4
221.28220	0.7
282.78726	0.5
331.17664	1.8
348.42136	0.6
349.18497	0.6
391.19635	2.5
392.20227	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
62.67241	3.1
79.95601	9.2
80.96396	11.7
94.97940	4.0
152.05637	3.8
295.85349	3.4
305.43216	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	390.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	20.6
61.98702	100.0
71.01283	1.5
71.38388	2.1
73.76389	1.5
77.01292	1.6
79.95598	3.9
84.47825	1.6
89.02274	1.6
96.95906	7.9
101.02345	2.0
133.02797	2.9
134.03600	2.7
135.03940	2.0
177.01901	2.4
178.02548	4.6
179.02992	3.4
211.13396	2.2
212.13701	2.4
217.00276	1.8
225.24843	1.5
267.96890	1.8
390.06863	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	390.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93996	2.3
58.09391	1.9
58.49954	2.1
59.00991	3.2
59.01253	34.6
61.98702	100.0
71.01247	3.3
78.95822	2.0
84.76229	2.1
85.02811	3.0
91.43153	2.1
98.20572	6.1
161.02449	2.6
173.04399	2.3
178.02809	2.5
191.05469	4.4
221.12509	2.4
229.17413	2.5
240.53424	2.3
259.04202	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	391.1246
Annotation	Shermilamine E
Peak:m/z	Relative Intensity
52.19588	1.1
55.01750	1.2
56.54868	1.2
57.03333	1.6
58.00459	4.1
59.01250	84.5
60.01587	1.9
64.88371	1.3
67.01764	2.7
68.99681	1.4
69.03323	51.5
71.01252	57.6
71.50421	1.8
72.01582	1.5
72.99191	5.9
73.02807	1.3
81.03325	2.9
83.01244	4.9
83.04883	4.0
85.02825	13.8
85.82135	1.1
87.00753	6.4
89.02314	54.7
90.02635	1.2
93.03329	6.5
94.56355	1.0
95.01250	6.6
95.04922	5.7
97.02819	17.1
97.06440	2.0
99.00767	1.4
101.02324	33.8
105.03362	1.8
107.04897	2.3
108.02045	3.6
109.02840	3.7
111.00729	1.8
111.04398	5.8
113.02336	23.7
119.03387	27.3
119.04824	2.1
121.02826	14.3
121.06510	4.1
123.00757	1.6
123.04408	23.7
123.08032	5.2
125.05974	3.3
127.00357	1.1
131.03453	1.3
135.04434	2.1
137.02324	6.5
137.05962	5.0
139.03906	7.9
139.07518	1.7
141.05469	2.2
143.03416	2.5
147.04413	2.5
149.02347	3.5
149.04433	1.5
149.06001	5.2
151.03914	4.1
161.04469	3.6
165.05508	6.5
167.03391	10.8
167.07153	7.2
169.05023	1.4
173.02382	1.4
173.04462	1.2
179.03381	1.4
179.05551	5.2
181.04980	1.6
185.04465	3.7
191.05539	9.8
193.01361	1.5
200.03520	2.3
211.02829	2.1
211.06065	37.1
217.10837	1.4
218.04472	1.5
229.07184	5.0
305.75540	1.5
308.04926	1.2
309.66855	1.2
324.09015	1.0
347.13409	8.2
388.38785	1.2
389.05356	1.4
391.12402	100.0
392.12769	9.8
410.41370	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44995	0.7
57.03320	1.5
58.00468	1.4
59.01247	18.1
67.01757	14.4
68.99684	23.6
69.03329	4.4
69.38049	1.2
69.38451	5.8
71.01254	17.0
72.99171	2.7
73.02815	12.7
75.00728	0.8
77.07701	0.7
81.03339	1.0
83.01257	1.8
83.04899	1.0
85.02825	3.8
87.00748	2.6
89.02305	11.3
92.20190	0.8
93.03331	28.2
97.06461	8.4
98.20538	1.5
101.02319	71.5
102.02666	2.0
106.67925	0.8
109.02814	1.6
111.00757	3.1
111.04396	4.8
113.02346	5.6
119.03381	4.2
121.02807	1.3
121.06443	1.7
127.03896	19.7
128.04292	1.3
129.01833	1.1
133.06477	0.8
133.17165	0.9
137.02336	6.6
141.05455	5.5
153.09106	5.3
155.03423	4.6
165.05536	1.5
171.10175	2.8
173.04466	100.0
174.04849	3.1
181.05009	1.1
191.05508	5.3
193.05066	1.1
197.08104	0.9
209.08141	2.9
213.54388	0.8
215.09187	19.1
216.09564	1.4
227.09184	26.5
227.16473	1.2
228.09547	2.2
257.54684	1.0
357.11911	2.0
389.10294	0.7
389.14377	14.6
390.15015	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	389.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16949	0.7
59.01233	3.4
59.85231	0.6
69.03310	1.5
72.99188	0.6
74.59557	0.6
88.10989	0.6
89.02295	0.7
93.03333	1.7
105.01896	0.6
106.27750	0.6
107.04931	1.8
108.02010	0.8
121.06485	4.2
123.04424	3.8
134.03651	1.5
135.04414	31.6
136.04715	0.9
137.02327	5.8
137.43613	0.6
138.03076	1.6
149.05988	11.6
150.06232	0.8
151.03889	2.4
152.04678	2.6
153.05492	1.1
163.03900	2.1
165.01846	7.8
166.06271	0.9
173.04517	0.8
179.03464	1.7
179.07059	30.9
180.04355	5.3
180.07831	62.6
181.04778	0.7
181.08191	2.5
182.05721	1.1
191.05515	1.1
192.07867	1.2
194.05771	3.4
194.09438	3.7
195.06506	3.5
195.10237	7.7
207.06474	1.2
208.07356	17.0
209.07521	1.1
211.13304	0.7
212.04895	0.8
212.06837	3.2
221.08154	1.1
222.08887	2.2
223.09697	100.0
224.10017	7.4
226.08418	9.0
227.08763	0.7
235.09792	1.5
269.07990	0.7
299.08975	0.9
313.51663	0.7
326.07788	0.8
329.10327	0.7
330.10934	0.9
341.10233	3.1
345.13431	2.0
346.14090	1.2
356.12704	1.2
359.15237	1.0
361.16531	5.3
362.17233	1.0
371.15170	0.9
373.24994	0.6
389.16190	7.1
389.25409	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	389.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65229	1.9
52.80739	1.9
53.24160	1.8
57.03316	3.4
59.01258	33.6
61.98686	5.0
67.28898	1.7
69.03326	2.5
69.85816	9.9
71.01260	4.5
79.95610	4.6
80.96382	3.7
81.03329	4.9
95.04934	3.5
96.95898	7.4
97.02824	5.5
97.06476	2.8
97.23011	2.0
101.02373	3.1
107.04915	2.7
107.46835	2.4
109.27784	2.1
111.04383	1.9
121.02868	2.5
121.06491	4.8
123.04406	9.2
125.09608	7.2
127.07583	2.4
135.04457	2.6
135.08051	5.5
137.09612	6.6
139.11209	2.5
141.12733	2.2
149.05989	4.8
154.35255	2.1
161.02382	7.5
163.07579	2.2
163.11221	12.1
179.03502	3.1
179.10678	8.9
181.12216	3.2
185.11760	12.0
191.05566	2.7
191.14342	12.3
207.09993	42.9
219.10080	4.0
223.09656	3.6
225.11270	7.4
245.07874	3.8
245.19093	21.6
246.19351	3.0
247.09540	14.8
248.10208	2.7
257.11487	2.2
261.18466	2.5
271.16953	2.8
272.31265	2.1
289.14795	4.2
289.18082	85.0
290.18539	5.9
303.17981	2.7
307.19153	60.6
308.19559	6.3
311.16193	3.4
329.17340	100.0
330.17230	8.4
389.15720	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	389.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69129	1.9
55.01744	2.8
55.02148	2.1
57.03306	5.9
59.00965	4.6
59.01252	89.1
60.01605	1.9
60.83013	1.9
67.01774	4.0
68.99669	3.6
69.03326	46.4
70.78837	2.7
70.79194	5.0
71.01257	51.4
72.99178	8.2
73.02823	4.3
75.00732	1.9
78.58902	1.8
83.01243	6.2
85.02829	17.8
87.00755	19.4
89.02319	41.4
91.05374	2.1
92.39768	1.7
92.69918	1.9
93.03351	11.1
95.01270	42.7
95.04910	16.6
97.02836	14.9
99.00764	5.4
101.02322	23.8
105.06299	2.1
107.04881	4.1
108.02047	5.5
109.02843	5.7
111.00750	5.2
113.02329	25.1
116.33115	1.8
119.03403	17.8
119.04920	9.9
121.02851	42.4
121.06473	14.8
123.04405	23.2
127.00246	8.1
129.01866	3.7
129.25891	1.8
135.04425	9.8
137.02348	7.1
137.05986	31.8
139.03853	3.9
139.07468	2.1
141.01810	5.4
146.95126	2.5
147.04428	10.7
151.03961	3.7
161.04451	3.6
163.03888	3.5
165.01776	2.6
165.05482	65.6
166.05795	3.8
176.00468	2.0
179.05643	4.6
181.04938	2.0
183.06555	4.4
191.03355	7.1
207.06564	3.2
209.04536	15.3
225.07678	2.0
227.05681	2.4
343.10330	2.4
371.09357	2.5
389.10901	100.0
390.11276	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	389.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79752	1.7
55.01751	2.1
57.03343	2.0
59.01247	91.3
65.03828	2.9
67.01746	3.2
69.03324	23.7
69.28049	15.0
71.01252	58.6
72.99173	4.4
73.02809	2.2
74.04092	1.8
75.33276	1.8
77.03827	2.5
85.02817	12.0
87.00765	6.4
89.02316	47.8
91.05486	2.0
93.03333	2.5
95.01264	4.9
95.04888	17.0
98.20556	4.5
101.02322	28.7
105.03345	7.9
107.04913	24.2
108.02031	7.7
109.02821	5.2
113.02325	21.7
119.03393	22.4
121.02821	9.7
121.06470	13.0
121.74084	2.0
123.04400	40.4
124.48199	2.0
133.02841	31.4
135.04332	3.5
136.01537	18.4
137.05966	3.3
139.00287	3.8
143.03351	3.1
149.02380	6.9
149.05960	4.3
150.03101	5.6
151.03906	100.0
152.04228	5.7
155.03395	2.2
165.05450	20.4
172.33582	1.8
173.04466	3.0
177.01823	23.2
179.05544	4.6
181.05038	2.7
183.06534	13.5
193.04970	7.8
209.04488	8.3
288.41562	2.0
345.11612	3.0
389.10837	10.5
389.18115	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	388.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37833	1.6
58.71088	1.9
59.01237	3.3
61.98707	100.0
70.61237	5.2
72.99193	3.6
85.02181	1.7
88.21861	2.1
106.74657	1.6
125.92173	1.7
134.03682	1.9
163.21182	1.9
167.81125	1.8
169.18687	1.7
177.23862	2.0
178.02570	2.7
191.05505	2.7
303.52795	1.7
319.76733	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	388.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99981	0.8
59.01244	5.4
61.98702	100.0
68.99678	1.5
70.98465	1.0
70.98809	1.3
71.01236	0.9
71.44797	0.9
79.07632	0.8
89.02322	1.1
95.01321	0.8
101.02296	1.5
122.63657	0.8
171.53363	0.9
222.15286	0.9
238.22559	0.8
307.19156	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	388.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12554	2.5
59.01245	16.1
60.57665	2.7
61.98701	100.0
68.99705	3.6
69.03315	4.9
71.01250	7.6
79.95603	6.4
84.84842	2.4
89.02302	2.8
93.03357	5.4
96.95885	56.0
98.19767	5.3
101.02322	10.5
121.02830	2.6
121.06507	3.4
123.04393	3.9
133.02831	8.8
134.03642	5.2
135.04405	5.7
137.02335	3.1
176.03886	2.8
177.01913	5.1
178.02603	14.8
191.05510	10.7
230.09460	3.6
235.44786	2.8
248.54683	2.5
327.15955	3.7
345.17078	4.0
389.16238	26.5
412.31915	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	389.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17694	0.5
55.01758	1.3
57.03308	0.9
58.00470	2.0
59.01252	84.7
60.01588	0.7
65.03845	1.9
67.01747	1.7
69.03329	100.0
69.86140	2.3
70.03671	2.6
71.01256	28.8
71.27344	0.7
72.64428	0.7
72.99189	1.5
73.02847	0.9
83.01270	1.9
85.02831	6.6
87.00743	0.9
89.02323	28.9
93.07013	0.6
95.01261	2.2
95.04906	24.0
96.05238	0.8
97.02879	0.7
98.19830	0.7
101.02332	16.3
102.02678	0.8
103.05437	1.1
106.04121	4.8
111.00772	1.8
113.02335	12.9
119.03389	13.7
119.04827	1.2
121.02863	7.0
121.06482	41.6
122.06833	2.0
123.04409	5.8
131.03465	0.9
137.05995	0.8
139.00278	5.5
139.03932	1.6
139.07538	4.1
143.03362	1.9
149.02367	0.9
149.04445	0.9
161.04512	1.2
165.05496	15.1
166.05925	1.2
179.05515	3.4
183.06589	12.1
209.04514	9.5
345.11908	17.0
346.12158	1.5
352.39789	0.7
389.10910	31.4
390.11234	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	387.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	0.6
56.09853	0.3
57.03311	0.9
58.00470	0.9
59.01254	21.3
67.01762	4.0
67.29183	0.4
68.99690	39.3
69.03313	1.1
70.00016	0.5
70.83813	0.6
70.84134	0.5
71.01256	12.2
72.99175	1.8
73.02820	1.4
75.00738	0.6
75.62893	0.3
81.03326	1.4
83.01243	0.6
83.04916	0.7
85.02823	2.8
87.00755	1.1
89.02323	10.0
92.99710	0.6
93.03336	5.7
94.90871	0.4
95.01262	1.7
95.04903	1.2
97.02851	0.5
98.19923	0.4
99.00782	0.7
99.04404	4.2
101.02327	100.0
102.02670	2.2
103.73358	0.3
105.01826	0.4
106.04121	0.6
107.04911	0.5
108.02041	1.3
109.02834	0.7
111.00783	2.2
111.04417	1.1
113.02335	4.8
119.03393	4.2
119.04916	0.8
121.02865	1.0
121.06491	1.8
122.03600	0.4
123.04414	22.9
123.08070	1.2
124.04765	0.6
125.02326	2.6
126.15198	0.4
127.03912	3.6
131.80688	0.4
137.02361	0.5
137.05977	1.2
143.03394	1.1
147.04460	1.0
149.02356	0.5
149.04541	0.4
149.06020	0.8
151.03958	0.9
152.03435	0.8
153.03824	0.4
155.03427	2.5
161.04480	0.9
163.04008	0.4
163.11203	1.1
165.05490	1.6
173.04480	23.2
174.04802	1.1
175.03954	0.8
177.05557	0.3
179.05502	0.6
179.07082	0.4
181.05035	0.9
189.12794	1.0
191.05470	1.9
193.04991	1.0
207.06584	1.3
207.10182	1.7
207.13823	1.3
208.10446	0.3
213.11247	1.0
217.05185	0.3
219.39389	0.3
225.07645	77.5
226.07986	6.1
266.29242	0.4
290.14169	0.3
355.10370	0.9
357.13397	1.3
370.10950	0.4
387.12646	1.5
387.16663	16.5
388.16943	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	387.1295
Annotation	10-Acetylaucubin
Peak:m/z	Relative Intensity
55.01751	0.3
56.38129	0.1
57.03319	0.5
58.00462	0.6
59.01250	10.3
60.01586	0.2
61.96042	0.2
67.01759	2.5
68.99686	31.6
69.03334	0.3
70.00009	0.6
70.99137	0.3
70.99444	0.2
71.01253	9.3
71.04888	0.2
72.99178	1.2
73.02830	0.9
74.02369	0.2
75.00733	0.4
81.03310	0.8
83.01258	1.0
83.04893	0.2
85.02818	2.4
87.00746	0.6
89.02316	7.9
90.02666	0.2
93.03319	1.2
95.01254	1.2
95.04889	0.8
97.02827	0.4
98.19653	0.1
98.57667	0.2
99.00776	0.4
99.04408	1.5
101.02322	100.0
102.02656	2.2
106.04101	0.6
107.04887	0.4
108.02036	0.7
109.02874	0.1
109.07447	0.1
111.00765	2.2
111.04395	0.6
113.02338	3.4
113.03080	0.3
115.03882	0.2
119.03393	2.9
119.04855	0.3
121.02820	0.3
121.06483	1.9
122.03651	0.4
123.04408	22.6
123.08044	0.6
124.04745	0.8
125.02340	2.7
127.03894	3.1
129.01811	0.2
129.10223	0.2
131.03319	0.4
134.03603	0.2
134.87512	0.2
135.04401	0.4
136.01564	0.2
137.02322	0.4
137.05960	0.8
143.03377	1.0
147.04419	0.9
149.02356	0.4
149.04584	0.1
149.05971	0.7
150.03119	0.2
151.03914	0.5
152.08313	0.4
153.05515	0.2
153.78615	0.2
155.03413	0.8
161.00862	0.2
161.04526	1.4
161.05772	0.3
163.03905	0.5
163.11221	0.5
165.05481	1.2
166.06012	0.2
173.04485	4.7
173.05954	0.2
174.04880	0.2
175.03918	0.5
177.05542	0.2
179.05510	0.6
179.07091	0.5
181.04965	0.5
181.08522	0.2
189.05446	0.3
189.12776	0.6
191.07051	0.3
192.04323	0.4
193.05000	0.7
197.08049	0.2
207.06541	0.9
207.13838	0.9
213.11238	0.4
221.08134	0.4
225.07634	74.9
226.07953	4.9
235.06107	0.6
249.07668	0.4
267.08725	0.4
355.10251	0.7
357.13446	0.6
387.12610	1.6
387.20428	2.4
388.12866	0.2
388.20663	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	0.3
58.00468	0.9
59.01250	24.3
63.71986	0.3
65.03832	0.4
67.01765	0.9
68.99686	48.0
69.03326	2.9
70.00019	0.8
71.01252	16.5
72.99184	2.3
73.02821	0.9
75.00733	0.5
80.27171	0.3
80.66566	0.3
81.03332	0.4
83.01260	0.6
85.02831	2.3
85.08018	0.3
87.00745	1.1
89.02318	15.5
89.05007	0.3
91.05430	0.5
93.03323	4.6
95.01258	6.8
95.01832	0.4
95.04898	1.3
97.02808	0.5
99.04399	1.0
101.02322	100.0
102.02660	2.2
107.04918	1.3
108.02062	0.7
109.02830	0.5
111.00777	0.5
113.02335	6.3
119.03382	5.9
119.04868	1.5
121.02844	10.4
121.06466	0.7
123.04408	27.8
124.04741	1.0
125.02359	0.5
127.03904	1.8
131.03375	0.4
133.06493	0.4
134.03654	0.4
135.04433	1.8
137.05971	2.5
143.03380	0.6
145.02835	0.4
147.04384	1.6
149.01237	0.6
149.02356	10.0
149.04437	0.5
149.05971	2.5
150.02693	0.4
151.03888	0.7
153.05487	1.1
155.03412	13.4
155.04691	0.7
156.03745	0.4
161.00844	0.3
161.04532	0.7
161.05989	0.8
163.03917	2.6
163.07555	0.6
165.05479	4.8
175.03955	0.9
177.05478	2.0
179.05521	1.0
179.07054	0.6
181.04982	17.5
182.05298	1.2
184.94669	0.3
189.05501	1.0
191.03371	0.5
193.04988	6.8
193.08621	0.6
194.05324	0.5
195.06570	0.8
197.08134	3.0
198.87375	0.3
199.44786	0.3
205.04977	0.7
207.06549	1.3
213.22357	0.3
219.06506	0.4
221.08070	0.7
223.06021	0.9
225.07626	9.0
226.07881	0.5
249.79218	0.3
267.08771	0.5
295.01227	0.4
355.10275	1.7
387.12988	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	387.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	1.6
68.99680	1.2
71.01247	1.8
80.04959	0.7
82.02870	0.7
85.02839	1.0
89.02311	1.0
93.03332	0.6
101.02312	2.4
106.02833	0.9
108.04403	3.5
119.04901	0.8
122.05972	4.7
123.04401	1.1
132.04451	2.4
133.02798	0.6
134.06021	0.7
147.03157	1.6
148.03932	0.7
150.05565	1.0
151.03922	1.0
152.07030	0.7
158.02354	1.5
159.03160	0.8
160.03941	21.8
161.04384	0.9
162.05466	2.3
173.27046	0.6
174.05566	0.9
175.02643	1.2
176.03510	0.8
176.07079	0.9
181.12212	0.8
186.01901	1.9
188.03453	12.4
188.04932	0.7
189.04103	1.2
190.05011	2.2
195.09215	0.7
202.05046	0.7
204.02946	4.7
210.05574	1.3
210.07664	0.8
211.08746	1.7
211.12151	1.2
212.07269	1.2
218.04521	17.7
219.04965	1.6
220.06151	1.0
223.08627	1.3
224.09317	1.0
227.08171	1.0
229.21794	0.6
233.69582	0.7
239.08192	0.7
239.11859	5.2
240.05222	0.8
240.10220	2.5
241.06075	1.0
243.11337	1.3
251.08220	2.3
252.06709	0.7
252.08981	4.3
253.06145	2.0
254.06985	2.0
255.07707	2.5
265.09909	0.8
266.08099	0.9
267.04239	0.7
267.07819	2.5
267.11356	16.0
268.09845	4.1
269.09241	4.8
278.07092	0.7
280.04907	0.8
281.05649	13.1
282.06128	1.7
283.07758	1.2
283.10889	5.0
293.09277	2.7
294.07181	0.9
295.07306	6.0
296.07959	6.2
297.08383	0.8
309.08612	3.1
310.09314	0.7
311.10358	100.0
312.10648	10.0
315.09894	0.9
337.08304	13.1
338.08725	1.5
343.12939	2.8
355.09314	38.3
356.09683	5.6
357.09698	1.4
369.10693	1.0
372.12115	1.0
387.11694	9.0
388.12323	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
65.46263	0.8
69.20316	4.3
69.20737	6.2
71.06336	1.0
90.26669	1.0
102.25202	1.0
108.04410	2.4
122.05965	1.6
132.04468	2.8
147.03142	1.8
160.03944	14.6
175.02673	1.4
185.14006	0.8
186.01863	1.7
188.03470	7.9
204.02946	3.8
210.07796	1.2
211.08479	1.2
212.07149	1.1
213.37219	0.9
218.04576	11.0
220.06114	1.2
227.08176	1.6
239.11771	4.1
240.10306	1.3
241.05959	1.1
243.11208	1.0
251.08252	2.9
252.09007	2.5
253.06126	2.1
255.07683	2.9
262.45877	1.1
267.07971	2.2
267.11340	11.4
268.09680	2.1
269.09354	2.8
281.05722	9.5
282.06110	1.4
283.07483	1.2
283.10825	3.5
293.09280	2.6
295.07187	3.9
296.07935	4.9
301.76590	0.9
309.08798	3.1
311.10361	100.0
312.10638	8.1
323.32156	1.0
337.08295	9.6
338.08347	1.2
343.12857	3.5
355.09351	41.5
356.09644	5.0
370.53500	1.1
387.11960	20.3
388.11957	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	387.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	2.4
70.49307	0.8
70.49662	2.1
82.02846	1.0
88.18146	0.6
89.02341	1.1
92.47935	0.7
93.03376	1.2
101.02309	1.5
106.02854	0.7
108.04432	6.1
120.87202	0.6
122.06022	4.6
131.03618	0.8
132.04460	2.3
134.06020	2.1
135.45479	0.7
136.01581	6.5
136.03990	0.8
137.02333	1.8
144.16444	0.7
145.05292	0.8
146.02368	0.7
147.03192	1.0
148.03996	1.0
150.05479	1.3
151.00276	1.6
151.03932	9.7
158.02313	0.8
160.03961	22.3
161.04460	1.3
162.05531	4.2
166.02626	4.2
174.05510	1.0
175.02679	1.8
176.07097	1.0
177.05499	0.8
180.06580	1.0
181.04950	5.2
186.01901	1.8
188.03459	11.3
189.04083	1.3
190.05034	2.0
191.05562	1.3
202.04996	0.9
204.02972	5.1
210.05534	1.0
211.08661	1.2
211.12144	0.9
212.07205	1.1
218.04547	15.7
219.05209	1.3
220.06020	0.9
223.08665	1.4
223.99536	0.9
226.03857	0.8
227.08136	1.1
237.06816	0.8
239.06027	0.8
239.08330	1.1
239.09523	0.8
239.11740	5.8
240.05376	1.9
240.10298	2.6
241.06026	0.9
243.11391	2.4
250.08658	1.1
251.08308	2.2
252.09062	4.0
253.06146	2.0
254.06973	2.5
255.07724	3.0
255.11435	1.0
265.09900	1.4
266.08270	1.5
267.07791	2.7
267.11407	18.9
268.09644	4.0
268.12180	0.7
269.09415	5.6
280.04965	0.9
281.05682	12.6
281.08899	1.3
282.06183	1.9
283.07413	1.4
283.10889	5.8
293.09338	2.4
294.07355	0.7
295.07184	4.9
296.07950	5.7
297.08270	0.8
299.14755	0.7
309.08838	4.9
310.09055	1.1
311.10388	100.0
312.10703	7.9
313.10794	0.7
315.09903	1.0
337.08322	15.0
338.08698	1.3
343.12857	2.1
348.10355	0.9
355.09366	52.2
356.09714	5.8
357.09848	2.1
372.12054	1.1
375.01578	0.8
387.11734	20.3
388.12198	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	386.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	47.5
61.98695	100.0
64.93432	8.2
68.99679	32.5
71.01247	25.7
84.18584	8.4
89.02326	11.3
92.12870	8.3
101.02320	69.0
121.02808	13.8
123.04421	23.6
149.02306	12.6
155.03419	21.2
225.14709	8.8
229.09061	9.0
312.22568	23.9
357.86310	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	386.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65923	0.7
59.01241	2.1
61.98702	100.0
68.99643	1.9
70.99828	1.9
71.01247	1.2
78.95792	0.9
85.02831	2.5
87.00758	1.2
89.02325	1.1
93.03330	3.0
96.67700	0.7
101.02306	3.8
123.04380	1.2
155.03439	1.0
173.04485	1.6
191.05540	21.3
192.05859	1.0
225.11237	1.0
252.18213	1.2
361.49805	0.9
386.16556	2.1
386.66254	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	386.182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01261	1.6
61.98702	100.0
69.03347	1.7
69.62539	1.5
69.86256	7.6
93.03331	2.0
104.16490	1.2
110.76397	1.3
118.51018	1.1
130.13416	1.5
149.02373	1.4
191.05553	6.7
211.13304	2.5
386.16342	1.3
397.44144	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.093
Annotation	Unknow
Peak:m/z	Relative Intensity
58.34892	2.9
59.01253	47.4
69.03336	16.1
69.67587	6.6
69.68005	12.0
71.01252	28.3
72.99179	15.4
79.88852	2.8
85.02818	10.7
86.13147	2.5
87.00758	7.8
89.02306	16.0
91.05431	6.0
93.03335	11.4
95.04867	3.5
97.02824	100.0
98.19842	5.5
99.00760	4.7
101.02315	6.8
103.00253	3.6
103.58363	2.6
107.04919	17.4
112.71475	2.6
113.02341	15.4
119.03400	4.2
119.04933	8.6
121.02844	12.3
123.04388	14.0
125.06875	2.9
133.02838	2.6
135.04407	32.9
137.02350	8.1
141.01813	5.1
145.02864	8.5
149.06018	2.9
151.03943	4.1
161.02341	3.9
163.03925	61.1
163.77682	3.0
164.04224	2.9
167.06984	2.8
179.03363	4.6
181.05014	4.3
189.01884	4.5
193.03485	16.8
207.02922	13.5
309.80573	3.0
387.09238	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	385.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91041	1.0
59.01246	10.2
61.50609	1.0
61.98700	100.0
69.03337	1.6
71.01237	2.7
71.50240	1.3
77.58707	0.9
84.02028	1.1
85.02805	3.7
87.00716	2.7
89.02310	2.1
93.03339	6.5
111.04382	1.6
112.53555	1.1
127.03917	1.3
129.01802	1.5
130.08589	4.4
135.04407	1.6
150.80322	1.0
153.05556	1.3
153.09061	1.9
162.70006	1.2
173.04446	2.4
173.05916	1.5
185.11584	1.0
191.05528	21.5
197.11734	1.1
205.05049	1.2
209.04341	1.9
211.04080	1.4
211.13344	10.1
250.12329	1.8
259.08948	5.0
259.56354	1.1
272.47000	1.2
280.59940	8.7
283.13321	3.5
301.14560	2.1
322.19965	2.4
325.14294	1.2
327.21664	1.3
329.13950	1.2
331.18829	4.3
335.96423	1.1
369.13358	4.0
385.17361	2.6
386.16479	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	385.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	0.5
55.35057	0.5
57.03336	0.6
58.96474	0.5
59.01249	100.0
60.01587	0.9
62.25166	0.5
64.24815	0.6
70.38023	1.2
70.38401	1.6
71.01250	8.0
71.11735	0.6
73.02820	1.9
78.95834	0.5
83.01245	0.6
85.02824	4.3
87.00734	0.9
89.02305	1.3
93.03340	1.9
99.00771	1.4
101.02328	4.1
108.02079	0.8
109.02883	0.8
113.02337	4.2
129.01961	0.5
135.11681	1.1
148.05199	11.9
159.02821	1.0
161.02374	1.4
161.04465	7.3
161.09642	1.1
163.07555	9.7
173.04536	1.3
174.01491	0.6
179.03491	1.3
179.10695	9.5
191.05569	5.3
205.12212	0.5
223.09726	6.9
223.13333	0.6
237.06772	1.0
265.06238	1.4
265.10550	0.6
266.06982	2.3
267.07587	0.7
281.09299	3.1
294.06369	4.2
295.07126	0.7
309.08737	7.8
310.09399	1.8
341.11227	4.1
342.12054	0.7
353.08057	1.8
385.10178	1.1
386.10825	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.9
57.03321	3.5
58.00461	3.1
59.01247	58.0
60.01609	0.4
67.01778	0.2
68.99687	0.5
69.03316	0.8
71.01250	73.7
71.30712	0.4
72.01588	1.1
72.99178	4.1
73.02818	11.6
74.72292	0.2
75.00742	0.8
75.19702	0.2
80.02540	0.3
81.03331	0.5
83.01255	5.6
83.04883	1.1
84.02033	0.4
85.02819	21.7
86.03150	0.4
87.00746	2.4
88.69572	0.2
89.02314	34.3
90.02655	0.6
93.03324	0.8
95.01259	5.1
95.01836	0.4
95.04897	2.4
95.47504	0.2
97.02824	5.7
97.06464	0.3
99.00108	0.3
99.00753	5.3
99.04440	0.2
101.02319	36.1
102.02645	1.0
105.06970	1.1
106.43542	0.2
107.04906	1.0
108.05689	2.6
109.02843	0.8
109.06463	2.1
111.00777	0.3
111.04420	1.4
111.08049	0.5
113.02325	26.8
113.05962	3.8
114.02681	0.5
119.03382	11.3
119.04803	0.5
121.02867	0.4
121.06466	0.8
122.03607	2.2
123.04445	0.3
123.08044	4.4
124.05162	0.3
125.02303	1.0
125.05975	2.7
129.01831	0.4
131.03372	1.3
135.08063	1.2
136.05197	4.0
137.05989	2.2
137.09578	0.4
138.06760	25.3
139.00267	0.4
139.04033	0.2
139.07564	10.9
140.07841	0.5
143.03413	2.5
147.08043	0.9
149.04460	0.8
149.06036	1.2
151.03967	0.3
151.07549	23.5
152.04773	2.7
152.08331	49.0
153.09111	100.0
154.09441	4.7
159.02898	3.8
161.04456	16.8
161.09636	1.1
162.04831	0.5
163.11185	4.0
165.09105	1.6
167.07043	1.9
175.07478	0.3
179.05554	2.7
187.11234	0.9
189.09131	1.5
190.09892	1.7
191.05545	0.6
205.03558	0.5
205.12265	33.0
206.12622	2.1
223.13327	15.1
224.13638	1.4
229.12373	0.6
233.10249	0.4
234.25227	0.2
385.18686	8.0
386.18848	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	1.3
59.01250	100.0
67.01788	1.1
69.50812	2.7
69.51230	5.4
69.80048	0.9
71.00959	0.9
71.01262	8.9
72.99174	4.3
73.02815	2.4
83.01229	1.5
83.04890	1.7
85.02815	4.3
87.00733	2.3
93.03350	1.9
95.63333	1.2
97.02741	1.2
99.00761	2.9
101.02335	3.8
108.02037	1.0
111.00723	1.5
112.98690	8.6
113.02285	2.8
115.00214	1.7
117.01814	1.1
135.02856	1.3
137.02324	1.2
142.99777	8.1
148.05212	12.0
161.04456	8.4
163.07585	7.9
164.04666	2.6
165.05029	1.5
173.00829	4.0
173.04472	3.4
174.01622	26.6
175.02057	1.0
175.03893	1.3
179.07004	2.6
184.32173	0.9
191.05518	4.6
195.13872	1.1
205.12289	2.1
211.13327	7.6
223.13361	8.3
237.11296	1.8
252.19022	1.0
267.12515	5.4
294.06604	1.1
307.11774	3.4
309.08774	2.1
325.12979	1.5
341.11145	1.8
349.12479	1.2
367.13925	5.1
385.13028	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	383.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	3.6
66.41499	0.3
66.60764	0.4
71.01251	1.4
71.51933	0.6
87.00735	0.7
89.02323	0.5
93.03342	0.7
96.95871	0.7
101.02335	0.7
113.02332	1.0
115.71631	0.3
135.04424	0.6
137.02376	1.4
138.03204	0.5
143.03441	0.3
153.05466	0.4
163.03935	2.5
163.88922	0.3
164.04700	100.0
165.05026	4.8
167.93930	0.3
173.04469	0.9
179.07056	92.8
180.07394	4.9
184.88928	0.3
191.05585	1.5
197.22301	0.3
216.15279	0.4
314.98145	0.4
322.99509	0.4
323.10211	0.5
341.10724	0.4
353.06662	0.5
368.08981	0.7
383.11108	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	3.0
59.01254	17.2
69.03332	2.8
70.62514	3.6
70.62880	3.5
71.01257	12.1
72.99179	13.8
73.02816	3.2
73.91230	1.7
81.03355	2.5
83.01252	3.1
83.04893	4.0
85.02840	3.2
87.00752	4.4
89.02280	1.7
93.03336	5.0
99.00751	14.8
111.00764	7.0
111.04425	2.2
112.98695	24.3
115.00244	3.5
117.01793	2.3
121.69627	1.8
123.00645	2.1
124.98792	1.9
135.04408	4.0
137.02304	2.4
142.99767	33.4
145.07430	1.6
156.00594	3.1
159.02919	2.2
161.02361	6.1
169.69789	1.8
173.00816	17.0
173.04506	3.5
174.01614	100.0
175.02287	6.3
175.03760	2.9
179.14334	2.3
179.34067	1.8
191.05518	15.2
195.13855	1.8
205.12273	5.7
207.64314	1.8
210.14915	1.8
211.13332	25.5
212.13625	1.8
215.58847	1.8
219.13847	2.8
223.13347	26.4
237.14931	2.1
243.22433	1.9
245.11909	2.0
251.12733	1.9
263.12918	8.4
264.13342	2.1
267.12393	24.1
275.12958	2.7
279.12329	3.5
281.14081	2.2
287.12686	2.5
297.07706	3.3
307.11835	10.8
309.08856	3.1
325.12952	4.7
349.13077	3.7
367.13983	30.9
370.10519	4.8
385.12686	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	383.0771
Annotation	Decaketide tricyclic intermediate
Peak:m/z	Relative Intensity
59.01255	13.2
61.98698	0.7
67.26447	0.8
68.99697	2.5
71.01260	7.2
73.02818	1.8
83.01257	1.3
85.02833	2.2
87.00737	1.9
89.02327	5.2
98.20548	2.1
101.02316	4.1
113.02319	3.9
119.03386	1.9
121.02847	100.0
122.03189	3.2
147.04449	2.4
148.45461	0.8
149.02322	1.8
161.04541	2.0
163.10970	0.8
173.02380	0.8
179.05585	1.9
181.06528	4.4
191.03462	9.5
225.05534	8.0
229.10130	1.0
251.06989	4.3
265.66956	0.8
295.06134	10.5
296.06583	0.9
309.20746	1.6
311.09235	13.9
312.09460	1.6
313.07144	20.1
314.07520	2.2
323.09775	3.2
339.08707	12.5
340.09079	1.3
341.10977	6.2
357.06393	1.1
383.07703	25.6
383.11395	1.2
384.08142	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	383.083
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52362	0.9
59.01250	5.1
71.01243	3.2
71.49986	1.5
77.40587	0.8
83.01227	1.0
85.02827	9.0
87.00741	2.6
89.02311	1.9
93.03352	2.8
100.69994	0.9
101.02346	1.7
109.02798	0.9
111.04456	1.7
113.02286	1.2
127.03895	2.4
173.04443	1.1
178.81108	0.9
191.05531	100.0
192.05905	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	383.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87249	3.4
53.12315	3.7
59.01245	13.2
64.30437	3.3
65.04990	3.6
70.66302	10.2
71.01250	11.6
72.99178	5.4
73.85107	3.1
78.95805	4.1
85.02829	15.6
87.00748	15.0
89.02327	4.5
94.01521	3.9
96.95880	4.1
96.96827	4.6
99.00771	4.5
101.02348	3.5
103.64063	3.2
105.74748	3.8
113.02335	8.4
179.05556	4.4
191.05536	100.0
192.05960	4.2
245.95410	3.4
297.92706	3.7
313.50461	3.5
364.94534	3.6
383.07584	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80108	0.6
55.01756	4.5
56.50135	0.7
57.03319	3.7
58.00470	1.5
59.01249	25.0
67.01740	0.8
69.03305	1.3
69.58268	0.6
71.01253	45.0
71.50599	1.0
72.01572	0.8
72.99171	3.5
73.02818	21.0
74.03172	0.6
75.00749	1.5
81.03323	0.7
83.00809	1.0
83.01258	10.9
85.02822	26.4
85.06479	0.7
85.99971	1.5
87.00762	5.0
87.08017	1.1
87.55762	0.6
89.02312	7.8
93.03326	2.8
95.01257	2.9
96.95892	0.8
97.02824	3.1
99.00759	10.6
101.02320	49.0
102.02660	1.3
111.00723	2.2
113.02324	19.1
114.02637	0.9
115.03902	1.6
118.06513	0.9
124.83660	0.6
125.02325	3.0
129.01865	1.3
131.03383	2.5
143.03386	1.8
148.01608	0.7
149.04468	1.0
158.05917	0.9
159.02937	3.0
161.04462	16.8
173.04416	1.7
176.07120	2.0
177.01868	1.0
178.05048	0.9
191.05528	6.3
203.94934	0.7
208.72343	0.7
220.06111	5.9
233.06642	1.8
249.13400	100.0
250.13774	6.2
293.12283	0.9
381.17639	57.0
382.17993	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	381.1917
Annotation	Cinncassiol C3
Peak:m/z	Relative Intensity
57.03317	0.3
59.01244	1.9
69.03327	0.3
71.01240	1.0
71.21941	0.3
73.02814	1.1
78.95773	10.0
82.84258	0.2
85.02816	1.4
90.21281	0.2
93.03341	0.2
95.04909	0.2
96.96832	1.2
97.06447	0.3
99.04393	0.5
99.40079	0.2
111.04396	0.4
113.05962	2.5
114.98477	0.3
119.04865	0.4
123.08038	0.5
125.05942	0.8
135.08028	0.9
149.09595	0.8
150.97879	0.4
152.99486	19.9
153.09100	1.4
163.07628	0.2
165.09123	0.5
167.10715	0.3
171.00548	0.7
177.09219	0.4
179.10603	0.3
191.05504	0.3
193.12103	0.3
205.12268	0.5
209.11804	0.4
223.13351	0.5
234.12523	1.6
235.12999	0.3
237.21149	0.2
243.13892	0.4
245.15401	0.7
246.12550	0.8
249.14919	0.7
261.14969	0.3
261.18524	0.6
262.12030	0.8
271.17105	0.4
273.18863	0.4
289.18100	0.8
291.16141	0.4
291.19513	0.4
299.16528	0.5
305.17419	0.4
307.19421	0.4
317.17551	1.5
319.19000	0.8
335.18610	3.8
336.18997	0.3
381.19156	100.0
382.19498	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	381.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27911	0.7
57.03337	1.7
57.12537	0.8
58.52364	0.7
59.01252	4.6
61.63359	0.8
69.03309	1.1
71.01239	1.7
71.51067	1.3
78.95782	1.0
83.04907	1.0
85.02843	1.3
93.03342	2.1
95.04908	1.3
97.02814	2.6
97.06486	1.1
108.59574	0.9
109.06520	1.0
109.13465	0.8
110.03590	0.9
123.04415	1.7
123.08024	1.1
125.09624	2.1
131.07068	2.0
135.04369	1.2
141.12711	1.3
141.79720	0.9
151.00307	0.9
152.99486	1.2
163.11229	5.3
165.09160	1.7
165.12698	6.4
166.09918	0.9
173.04492	2.8
179.14346	3.6
181.12279	3.6
191.05565	2.9
193.15952	2.3
209.11766	2.3
223.13327	3.0
226.09177	0.8
247.20628	8.7
255.03024	8.1
256.03384	1.2
273.18622	3.1
283.02423	2.0
284.03244	4.0
291.19675	100.0
292.20041	7.8
299.05576	2.0
309.20718	95.3
310.20963	8.0
312.30368	0.9
362.04419	1.0
381.09772	9.2
382.10040	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	17.6
61.98726	1.1
70.18425	1.4
70.18826	2.0
71.01246	1.0
95.04889	5.9
98.20573	0.9
113.09612	2.2
132.13387	0.9
150.03036	1.1
169.12091	1.0
195.13821	17.0
196.14081	1.1
246.12442	1.0
249.10982	1.1
270.49731	1.1
277.21701	14.9
278.11359	5.4
279.11893	1.2
295.22772	100.0
296.23035	9.0
299.19666	1.3
315.19357	1.5
317.20969	46.7
318.21255	4.0
341.11029	2.3
361.20023	6.6
377.08371	1.7
377.22379	9.9
378.22711	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	378.1895
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	0.6
61.98700	100.0
67.26174	0.2
70.15640	0.5
70.16042	0.6
72.36721	0.3
99.02765	0.3
118.10754	0.3
176.64763	0.3
180.01442	0.3
190.83376	0.4
195.73396	0.3
245.68463	0.3
293.21353	0.8
341.09912	1.0
378.18918	3.1
379.19363	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1607
Annotation	3-Methyl-2-butenyl 6-O-alpha-L-arabinopyranosyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01755	1.8
57.03313	2.9
58.00457	3.4
59.01248	88.2
60.01580	1.0
69.03326	0.7
69.45518	3.4
69.45937	2.2
71.01251	73.4
72.99189	4.0
73.02821	7.2
75.99525	0.7
83.01239	4.4
85.02817	13.9
87.00751	3.9
89.02314	100.0
90.02653	1.2
95.01264	2.5
97.02834	1.8
98.20561	0.8
99.00761	4.3
101.02321	41.3
102.02666	1.2
113.02328	22.9
119.03386	30.8
125.02332	2.9
131.03391	16.5
133.32147	0.7
134.54138	0.7
143.03387	5.4
149.04451	33.5
155.10692	2.0
161.04466	8.7
179.05524	22.7
179.91415	0.7
191.05544	6.4
199.09695	5.1
233.06488	0.8
247.09367	0.9
247.11833	15.9
290.92731	0.9
379.16080	24.2
380.16254	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.215
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13181	0.9
53.53534	0.9
59.00964	1.7
59.01249	27.8
63.21926	1.0
66.41504	0.8
69.03300	1.6
69.34339	3.2
69.34756	5.1
70.51997	0.9
77.32338	1.0
81.46802	1.1
85.02787	1.0
95.04899	36.3
99.92452	1.1
107.99338	0.9
121.29790	1.2
150.02992	1.5
195.13821	12.1
196.94707	1.0
222.93062	1.0
223.13339	8.7
228.13667	1.4
246.12288	11.2
249.06313	1.2
256.13104	2.3
275.20215	6.2
276.20233	1.0
278.11343	84.5
279.11752	6.1
293.21231	100.0
294.21521	9.1
315.19403	19.4
316.19830	1.8
338.12195	6.5
375.21335	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	377.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	5.5
61.28732	0.7
69.38915	4.7
69.39330	1.1
71.01251	2.7
72.89732	0.7
72.99173	0.7
73.02812	1.6
75.00787	0.6
77.12528	0.5
85.02827	1.7
87.96000	0.8
89.02316	1.6
93.03323	3.1
95.01265	1.0
95.04890	1.2
98.19839	1.4
101.02313	2.4
108.02052	0.9
109.02834	1.0
113.02331	1.3
121.02836	9.9
122.03648	3.8
123.04394	1.5
129.40370	0.6
133.02872	1.0
137.02341	2.6
147.04393	0.9
149.02342	100.0
150.03142	32.5
151.03654	1.2
164.04695	21.8
165.01852	4.8
165.05481	33.7
166.06250	3.5
167.07059	5.6
173.04428	2.2
179.03433	0.7
180.04193	2.5
181.08603	2.0
191.05496	2.0
195.06557	14.9
215.12848	2.0
267.10010	0.7
271.09741	0.7
283.09811	4.4
285.11325	1.3
314.11584	36.9
315.11969	2.7
329.13928	86.2
330.14301	9.8
377.18027	8.4
377.21951	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	0.8
57.10244	0.9
58.00462	1.0
59.01247	11.7
60.11844	0.8
67.01771	4.5
69.03320	5.3
70.37388	2.3
71.01251	6.4
81.03335	1.7
82.14796	1.0
83.04899	1.0
84.28828	0.9
85.02829	1.5
87.04388	3.3
89.02317	2.5
89.09161	0.8
93.03329	25.0
95.04874	1.1
96.95927	1.4
97.02828	2.3
101.02305	2.6
105.85040	0.8
106.26270	0.7
109.02804	1.7
111.00753	2.3
111.04398	4.9
113.02300	1.9
119.03387	1.1
119.04958	1.6
121.02884	1.9
122.03600	0.9
123.04351	1.4
135.04396	3.2
137.02321	4.9
146.03558	1.5
149.02348	12.8
149.05937	1.1
150.03133	8.1
155.03374	4.0
155.10664	3.0
164.04688	3.2
165.02049	1.5
165.05484	9.3
169.08565	1.1
173.04466	100.0
174.04784	3.3
179.03409	1.9
179.06979	1.6
191.05563	3.9
195.06560	4.0
195.40063	1.0
201.11278	12.6
213.07617	2.4
215.08949	1.2
255.08733	1.6
312.09985	2.9
327.12289	10.3
328.12872	1.4
375.12344	2.0
375.16605	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	375.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34043	0.6
59.01235	0.8
60.95193	0.7
60.96896	0.7
70.87975	1.6
74.98954	1.5
93.00007	1.2
125.71053	0.6
145.09915	0.8
145.16708	0.6
149.00792	0.8
149.05894	0.6
150.90707	0.7
159.08379	13.4
161.06265	3.6
192.98061	1.1
209.01190	2.5
217.07190	1.2
221.32359	0.7
236.60765	0.9
275.06204	0.7
277.07468	3.1
289.07578	1.7
291.09097	96.4
292.09259	13.3
299.04480	0.9
309.10086	2.1
357.13644	2.1
359.15347	100.0
360.15546	16.5
375.18552	8.3
376.19034	1.1
377.16779	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1847
Annotation	Unknow
Peak:m/z	Relative Intensity
59.32897	1.7
64.77436	1.4
65.80894	1.6
71.49837	2.4
74.98949	1.8
82.44616	1.9
92.99999	2.5
102.41985	1.5
102.92902	1.6
104.33836	1.8
105.11184	1.4
159.08377	9.1
187.57726	1.7
209.01141	2.1
217.07234	2.0
291.09079	87.2
292.09271	8.6
359.15326	100.0
360.15469	15.7
375.18332	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	375.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75806	2.3
58.00456	4.1
59.00954	4.6
59.01249	81.3
64.96168	2.4
67.01769	2.1
69.03326	100.0
69.69196	15.1
70.03651	2.8
71.00893	4.0
71.01254	41.3
72.99174	2.1
81.03327	4.4
82.77195	2.4
83.01228	2.8
85.02826	8.0
87.00747	2.0
89.02309	34.1
95.01245	2.2
95.04890	11.2
99.04385	7.1
101.02331	19.3
107.04918	2.5
111.07965	2.2
113.02335	15.4
119.03384	12.9
121.02801	4.1
121.06475	16.0
123.04379	3.2
125.06033	3.4
143.03365	4.2
151.07552	30.4
165.51660	2.3
169.08662	10.4
179.05482	3.2
195.06567	15.5
235.85745	2.5
375.12970	36.4
376.13037	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	375.1295
Annotation	Junipetrioloside B
Peak:m/z	Relative Intensity
56.44513	3.4
56.68531	3.2
58.00463	8.0
59.00956	6.1
59.01250	100.0
68.15465	3.0
69.03318	35.0
69.06424	3.1
70.65274	11.6
71.01248	64.1
72.99184	6.4
75.37461	3.6
85.02808	12.1
87.00737	6.5
89.02312	49.6
95.01272	7.6
95.04871	8.5
101.02325	25.0
108.02053	4.9
113.02328	23.7
117.03327	15.2
119.03361	20.9
119.04932	5.1
121.02787	5.3
121.06470	4.7
123.04463	4.3
125.02336	6.1
133.02867	3.9
145.02853	29.7
146.03638	17.7
146.41075	3.9
147.04404	8.3
150.03101	7.4
151.07510	10.1
153.01788	12.2
153.03056	4.0
161.02353	46.1
161.04443	5.0
162.03166	52.7
165.05496	4.6
177.05470	21.1
179.05539	5.9
180.04201	13.0
195.06529	20.1
213.07626	19.4
220.07898	3.6
305.02359	3.6
347.20547	4.0
357.11707	5.1
375.12958	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	1.2
65.01324	0.2
69.03315	0.3
71.01248	0.4
71.30740	0.3
89.02316	0.4
91.08848	0.2
97.02831	0.4
100.07512	0.2
101.05964	1.1
113.02267	0.2
124.07565	0.7
148.05090	0.2
149.07094	0.2
152.99571	0.1
154.94414	0.2
165.10217	0.3
171.74661	0.2
181.09331	0.2
189.10286	0.6
193.21555	0.2
216.11261	0.2
232.10864	10.4
233.11194	0.6
235.05093	0.2
239.92862	0.2
271.47568	0.1
272.17566	0.4
273.81671	0.2
289.17944	1.7
290.18723	3.0
316.16592	1.8
318.18192	0.4
358.21329	1.0
374.24448	100.0
375.06927	0.2
375.24777	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	375.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	2.5
57.03310	4.8
58.00448	2.1
58.78450	0.9
59.01249	64.4
69.03323	100.0
70.03660	2.1
70.37143	3.9
71.01250	34.2
72.99169	2.8
73.02829	2.4
81.03327	2.3
83.01252	1.2
85.02804	8.9
87.00738	5.8
89.02316	32.0
93.03323	2.8
95.01277	2.5
95.04900	40.6
96.05222	1.9
98.20488	1.5
99.04387	14.5
101.02309	16.1
107.04903	17.3
109.06455	3.0
113.02328	46.2
119.03383	9.7
119.86391	1.1
125.05977	8.3
131.03397	1.5
133.06468	3.0
148.89972	1.0
151.07555	15.9
161.04456	2.1
169.08609	28.3
179.05536	2.4
195.06592	1.5
213.07620	86.5
214.07933	5.4
260.45554	1.3
293.49957	1.2
348.91898	1.2
375.12949	46.7
376.13208	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	373.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40725	0.3
59.01250	21.5
60.99181	0.5
69.03329	8.7
71.01254	7.4
71.50399	0.8
72.99174	0.9
83.04945	0.4
85.02812	1.5
89.02318	8.9
93.03334	4.0
97.02828	10.9
98.03149	0.7
101.02325	3.9
105.03368	0.5
105.57998	0.5
113.02333	3.4
119.03378	4.5
119.04874	0.5
121.02800	0.7
121.06500	0.8
123.04410	2.4
125.05972	0.6
131.03387	0.5
141.01834	0.9
148.08801	1.2
149.05968	5.0
150.10384	1.7
151.11217	0.5
161.04532	0.4
163.11198	1.2
165.12761	21.8
166.13068	1.9
167.07076	1.5
175.11206	0.4
179.05392	0.8
191.14276	0.6
193.05002	7.2
244.10751	3.4
245.11343	0.4
247.20648	12.1
248.20950	0.8
273.18588	6.3
291.19647	100.0
292.19977	10.1
313.17847	13.8
314.18167	1.4
373.11600	3.2
373.19949	12.6
374.20203	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00393	8.6
59.01251	90.5
60.99186	10.8
61.98687	24.6
66.66925	9.8
67.71388	8.4
69.03316	64.5
69.56410	68.1
71.01257	57.5
85.02794	8.3
87.38448	7.3
89.02322	77.0
93.03342	19.3
96.95895	30.9
97.02839	100.0
101.02314	30.8
113.02320	21.5
118.19637	10.1
119.03369	43.0
123.04392	18.8
141.01886	8.7
149.05962	46.1
151.03914	14.3
170.90492	9.1
172.88429	8.9
178.00043	9.2
179.05502	10.7
193.05008	79.3
245.29153	10.2
373.11313	42.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	0.6
58.00446	0.5
59.01249	11.7
60.54019	0.3
60.99161	0.4
64.83717	0.3
65.51811	0.3
67.01743	0.9
69.02959	0.5
69.03321	6.8
69.11258	0.3
69.34925	0.5
69.35330	2.0
71.01250	7.3
71.71884	0.3
72.99158	0.6
73.02817	2.4
78.95761	0.4
81.03335	0.7
83.01259	0.4
83.04906	1.5
85.02827	1.9
87.00742	0.9
89.02312	6.9
93.03330	6.0
95.01241	0.7
97.02824	9.8
98.10924	0.3
101.02310	3.9
105.03345	0.6
109.02818	0.4
110.54689	0.3
111.00758	0.7
111.04418	3.8
113.02343	2.5
116.48457	0.3
119.03386	2.5
119.04910	0.9
120.99587	0.4
121.02855	0.7
121.06450	0.5
123.04436	2.8
127.03902	0.5
129.01822	0.6
134.67935	0.3
135.08057	1.1
137.02339	1.3
137.09619	5.8
138.09891	0.3
141.01840	0.5
143.03383	0.9
149.02338	0.6
149.05984	3.6
152.03445	0.9
155.03429	4.4
155.10681	100.0
156.11005	4.9
161.04482	0.6
167.07042	1.1
173.04468	16.4
174.04750	0.8
179.05536	0.8
191.05595	0.8
193.04984	6.3
194.05266	0.4
199.09686	66.6
200.10008	3.3
331.41122	0.3
373.11249	1.9
373.15131	19.5
374.15518	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	373.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	1.3
58.00471	0.3
59.00953	0.3
59.01249	3.6
60.99172	0.6
65.03818	0.3
65.97792	0.2
67.01758	5.1
69.03317	2.4
69.20705	0.4
69.21055	2.4
71.00899	0.4
71.01250	4.7
73.02811	0.9
77.12396	0.2
80.20832	0.2
81.03340	1.1
83.04882	1.0
85.02831	0.8
86.17855	0.2
87.00718	0.4
89.02313	1.4
93.03329	30.1
94.03667	0.7
94.45842	0.3
95.01267	0.3
97.02825	1.7
98.19794	0.5
98.64922	0.2
101.02299	0.5
109.02821	1.0
111.00772	1.4
111.04402	5.7
112.71943	0.2
113.02293	0.7
115.03841	0.4
119.03384	0.5
127.03870	0.4
135.08058	0.2
137.02335	6.1
137.09607	1.7
149.05963	0.7
153.73006	0.2
155.02213	0.2
155.03389	5.4
155.10675	26.0
156.11034	1.0
165.04092	0.2
173.04460	100.0
174.04814	3.8
193.04974	0.8
199.09688	15.5
200.10049	0.8
248.02390	0.2
326.33017	0.2
361.52615	0.2
373.11359	0.3
373.14990	8.5
374.15411	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23992	1.3
58.00465	4.1
59.01250	100.0
60.99166	2.8
61.66932	1.6
61.98692	6.0
67.01759	4.0
69.03325	65.4
69.03704	3.6
71.01253	62.7
71.50187	1.8
72.99178	3.9
73.02795	1.7
79.01783	1.9
80.72136	1.4
83.01278	2.6
85.02824	11.2
86.00796	1.5
86.44244	1.6
87.00777	3.7
89.02319	60.9
90.02615	1.8
93.03349	17.6
95.01253	4.8
95.04888	1.8
97.02827	81.8
98.03173	1.8
101.02330	26.9
105.03342	6.0
108.02079	1.9
113.02321	22.4
119.03392	20.4
119.04820	2.4
121.02858	4.6
121.06429	2.2
123.04404	18.8
131.03389	3.4
136.01578	1.6
141.01921	2.0
143.03432	3.2
147.04407	1.9
149.05981	30.6
150.06256	2.5
151.03915	3.4
161.04440	2.1
167.03334	1.6
167.07124	9.2
179.05502	6.7
193.04999	50.9
373.11380	20.4
374.11841	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	373.1137
Annotation	Gentioflavoside
Peak:m/z	Relative Intensity
51.16542	1.3
57.03335	1.5
58.00471	3.9
59.01250	100.0
69.03321	43.0
69.74209	3.1
69.74606	5.3
71.01253	47.2
72.99181	3.9
73.02824	1.9
83.01264	2.6
85.02827	8.8
87.00775	2.0
89.02322	34.7
89.57605	1.3
93.03327	11.5
95.01289	3.3
97.02827	57.6
101.02332	11.9
105.03349	3.6
113.02339	11.9
119.03381	7.3
121.02818	2.7
121.06514	1.5
123.04417	9.1
141.01863	2.3
149.06000	7.7
161.30339	1.4
164.37747	1.3
173.36031	1.7
189.20746	1.3
193.04967	4.8
299.69974	1.6
396.87103	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	373.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76995	1.0
55.01766	1.5
57.03310	1.2
57.83524	0.9
58.00470	3.8
59.01252	100.0
60.99179	2.5
67.01753	1.5
69.03329	61.8
70.03651	1.9
70.52088	1.1
70.52436	3.1
71.01255	53.8
72.99194	5.4
73.02828	1.2
83.01254	2.1
85.02827	8.2
87.00747	3.5
89.02321	70.2
90.02665	1.4
93.03337	14.3
95.01252	2.8
95.04887	1.4
97.02832	85.2
98.03134	1.6
101.02322	26.8
105.03315	5.4
108.02076	1.3
113.02332	22.9
119.03386	28.1
119.04867	1.9
121.02834	3.1
121.06460	4.4
123.04421	19.2
131.03384	3.3
141.01836	4.3
143.03397	3.4
147.04379	1.3
149.05988	42.1
150.06320	2.0
155.48618	1.2
161.04407	2.4
167.07048	11.3
179.05544	7.1
184.63220	1.0
193.04994	63.4
193.87706	1.0
194.05341	3.8
295.53027	1.1
324.94501	1.1
373.11411	27.9
374.11636	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	372.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
61.98711	24.2
68.38889	4.7
69.03329	59.6
71.01246	54.5
71.51222	6.8
72.99173	4.6
85.02811	9.9
89.02316	50.3
93.03326	9.7
96.54562	4.3
97.02837	87.3
101.02313	27.0
113.02337	16.9
119.03390	20.5
121.02870	10.1
123.04388	16.3
141.01892	4.2
149.05988	34.9
154.76984	5.5
167.07051	5.4
193.05008	43.8
243.08647	5.2
258.55643	4.2
373.11475	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	372.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60718	6.2
59.01256	100.0
59.23744	7.3
61.98702	27.1
69.03330	60.0
69.50352	12.4
69.50768	42.1
71.01250	67.7
72.99210	8.4
79.31156	7.0
85.02836	9.4
89.02342	52.2
93.03338	10.4
97.02834	82.9
101.02341	20.5
108.51979	7.2
113.02337	15.8
118.67752	8.5
119.03418	35.7
123.04401	18.5
149.04796	7.0
149.05917	38.7
159.07550	6.3
193.05043	46.7
373.11432	32.3
373.70554	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	373.1141
Annotation	Gentioflavoside
Peak:m/z	Relative Intensity
58.00475	5.5
59.01251	94.0
60.01578	1.3
60.99175	2.9
67.01756	1.7
69.03327	74.0
70.03663	1.4
71.01257	66.1
71.13758	2.6
72.01591	2.1
72.99186	7.2
73.02819	1.8
83.01272	3.1
85.02821	13.3
87.00759	5.3
89.02319	75.7
93.03345	16.6
95.01267	4.8
95.04900	2.1
97.02832	100.0
98.03129	2.1
101.02319	28.7
105.03350	5.9
107.04939	1.1
113.02325	24.8
119.02652	1.2
119.03396	29.2
119.04832	8.2
121.02831	4.3
121.06479	5.0
123.04410	24.4
124.04735	1.6
131.03394	3.6
131.04903	1.5
135.04430	2.6
141.01825	4.2
143.03401	4.5
149.02432	1.0
149.04707	2.1
149.05984	44.9
161.04529	2.8
167.07054	15.0
168.07364	1.1
173.04442	3.0
179.05531	7.6
179.06911	1.6
191.05504	2.6
192.05879	1.2
193.04980	51.1
194.05302	2.6
199.00641	3.6
211.06059	6.3
212.87416	1.2
215.00203	2.1
221.08308	1.5
373.06412	2.1
373.11362	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	371.1501
Annotation	Armenin B
Peak:m/z	Relative Intensity
55.37189	0.7
59.01276	0.7
69.20921	6.3
71.01312	1.1
73.98153	0.6
132.02077	4.8
160.01555	12.7
161.02028	0.8
165.70665	0.6
166.06268	2.1
175.03986	0.8
181.08676	1.8
196.05397	0.6
197.06030	2.8
210.14592	0.6
211.03963	4.4
211.07623	0.9
212.08295	1.1
218.09369	0.9
223.07555	1.1
225.05554	0.8
225.09241	0.7
226.06299	1.5
226.09854	1.1
227.55565	0.6
229.08588	0.9
237.05525	1.5
238.06351	0.7
240.07776	0.8
241.08737	1.1
242.09447	21.8
243.09842	1.3
244.63605	0.6
245.08141	4.9
246.08911	7.5
251.07057	0.8
253.05173	1.2
253.08609	1.9
254.05656	0.8
254.09540	2.3
257.11798	11.9
258.12250	1.1
264.07748	0.9
269.08185	2.3
269.11819	1.6
270.08942	19.6
271.09329	1.7
274.08545	0.7
281.04575	7.2
281.08127	2.8
282.05603	1.0
282.08932	9.2
283.09711	2.7
285.08167	0.7
285.11298	19.7
286.11630	2.1
295.09650	3.9
296.06979	0.8
296.10391	1.6
297.07681	2.8
297.10992	0.8
298.08450	18.0
299.08829	2.3
308.07248	1.2
309.07697	2.2
310.08490	9.8
311.09204	10.9
312.09866	1.5
313.10751	9.5
314.11270	1.5
323.09256	4.9
324.09818	4.6
325.10760	13.7
326.07935	17.8
326.11536	7.6
327.08301	2.4
327.11948	1.0
339.12314	3.8
340.13101	6.4
341.10269	100.0
341.13614	3.6
342.10629	10.7
355.11984	1.4
356.08078	1.4
356.12628	57.6
357.12979	7.9
371.14957	66.9
372.15308	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	371.1498
Annotation	Haplomitrenolide C
Peak:m/z	Relative Intensity
52.74812	0.4
57.30285	0.4
59.01250	2.7
60.19890	0.4
60.89954	0.4
69.03317	0.7
70.62372	1.3
71.01241	0.9
72.87963	0.4
73.02802	0.4
78.95776	6.0
85.02814	1.1
87.00758	0.8
89.02351	0.4
93.03336	1.8
95.04893	0.5
96.95893	1.0
96.96842	1.4
108.02116	0.4
109.02834	0.7
111.04399	0.4
119.04890	0.5
121.02821	0.4
121.06497	0.4
123.04417	0.5
132.02071	17.1
133.02809	1.3
134.03596	0.7
135.04396	1.5
137.02359	0.7
138.05527	0.4
145.02875	1.3
146.03647	5.7
147.04401	0.8
148.05139	0.7
158.03670	3.5
159.04417	0.9
160.01578	45.7
160.05151	1.1
161.02232	3.8
162.03178	4.1
171.04417	4.8
172.05215	6.4
172.08076	0.7
173.02362	1.9
173.04482	1.4
173.05803	0.6
174.03149	13.8
174.04677	0.7
175.03941	2.8
176.04733	4.2
177.01826	0.5
177.05405	0.9
178.08632	0.6
179.03403	1.4
179.08978	0.7
182.03673	1.2
183.04488	2.3
184.05240	1.7
185.02386	7.2
185.05984	1.2
186.03131	4.4
187.03928	3.1
188.04668	1.5
189.05345	0.5
191.05545	9.0
192.05872	0.6
195.04428	1.1
196.05235	0.8
197.06056	1.0
199.03955	7.5
200.01079	1.5
200.04730	18.7
201.05153	1.9
202.02652	1.9
202.06282	1.2
206.02142	3.1
208.03694	0.7
209.05913	0.6
211.04039	0.6
211.07520	0.8
212.04701	0.5
213.05521	5.8
213.07370	0.8
214.02727	1.0
214.06241	2.1
223.13242	0.5
224.04747	0.8
225.05406	0.5
227.03409	1.0
227.07039	0.7
228.04243	1.7
228.07841	0.6
228.09940	1.2
229.10580	0.5
237.05473	0.6
241.08708	0.5
242.05789	0.7
251.12627	1.4
252.13991	0.7
257.15463	1.5
269.15549	0.5
281.15427	3.9
282.15146	0.6
283.15506	3.5
296.12924	0.5
297.14972	0.7
299.16519	10.6
300.16855	1.3
307.13522	1.0
309.14972	1.7
325.14453	21.6
326.14813	2.8
327.16055	14.3
328.16360	2.2
335.12854	0.6
343.15497	49.8
344.15820	5.5
353.13934	13.4
354.14343	1.5
371.14996	100.0
372.15302	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	371.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43919	0.3
55.05784	0.3
55.31087	0.3
59.01251	1.3
61.98700	0.8
67.01765	0.3
69.03324	1.2
71.01249	0.6
71.51011	0.5
78.95790	2.1
79.95621	0.6
85.02828	0.5
87.00757	0.5
93.03363	1.1
94.67316	0.3
95.01270	0.4
95.04897	0.6
96.96853	0.5
97.06468	0.6
109.02853	1.9
111.04378	0.3
112.75435	0.3
118.06539	0.6
121.02864	0.9
123.04392	0.5
132.02078	7.1
133.02808	0.4
134.03618	0.6
135.04436	2.4
135.08076	0.4
136.04774	0.4
139.11208	0.4
143.04973	0.5
145.02843	0.8
146.03616	2.1
147.04366	0.4
158.03586	1.6
159.04469	1.5
160.01581	17.5
160.05223	0.5
161.02299	1.8
162.03087	1.2
167.38524	0.3
171.04442	3.3
171.10182	0.7
172.05229	6.7
172.07513	0.5
173.02350	1.0
173.05905	0.9
174.03154	6.7
175.03847	1.4
176.04703	1.4
177.05521	0.6
179.03421	1.6
182.03659	0.8
183.04477	2.6
183.10309	0.7
184.05180	2.4
185.02365	5.0
185.05972	1.3
186.03113	1.2
186.06798	0.5
187.03983	2.3
187.07481	0.4
188.04723	1.1
191.05557	3.7
195.04442	0.7
196.05258	1.0
197.06026	2.4
198.03120	0.5
198.06735	1.2
199.03943	10.6
199.07626	0.4
200.04715	14.4
201.05299	1.8
202.02646	1.9
202.06255	0.9
204.04300	0.5
206.02208	1.2
210.03162	0.7
211.03986	2.7
211.07597	1.2
211.13315	0.8
212.04669	0.7
213.05539	5.1
214.02733	0.4
214.06238	1.2
214.08469	0.6
215.06923	0.4
223.07600	0.5
224.04755	0.7
225.05554	0.5
226.03049	0.3
227.03487	8.0
227.07111	1.1
228.04243	12.5
228.07700	0.5
229.04639	0.9
230.05775	0.6
232.03795	0.4
237.05602	0.5
241.05034	0.9
241.08556	0.4
249.11220	0.5
253.15869	0.3
255.13887	0.7
255.17493	0.3
257.15515	0.8
258.11353	0.4
267.13986	0.4
271.13388	0.4
280.59766	0.4
281.15350	2.3
283.13428	9.4
283.16684	0.6
284.13712	1.3
289.17929	0.4
291.13754	0.4
297.11218	1.2
297.14740	0.7
299.16559	3.6
301.14490	2.7
307.13449	0.7
309.11688	0.6
309.14963	13.0
310.15292	1.3
311.12894	1.4
315.12418	1.8
325.14481	10.3
326.14673	1.5
327.12344	2.6
327.15945	13.7
328.16364	1.5
329.13934	2.7
330.14209	0.4
335.12930	0.8
339.21677	0.5
341.10144	0.5
341.14005	0.3
343.15503	15.1
344.15854	1.8
353.13950	14.9
354.14343	1.9
371.14996	100.0
372.15317	15.2
377.77783	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1347
Annotation	Multifidol glucoside
Peak:m/z	Relative Intensity
59.01249	100.0
60.01590	1.1
67.01750	0.7
68.99693	1.3
69.03313	0.9
71.01271	3.7
71.01604	0.7
71.30865	1.1
85.02866	1.3
89.02309	2.6
93.03355	1.3
95.01283	1.2
95.04914	2.4
99.00745	0.5
101.02316	3.3
102.98470	0.8
107.04935	0.5
109.62047	0.6
111.00811	1.5
111.04389	0.7
113.02364	1.1
119.03448	1.0
121.02852	7.2
123.04395	4.9
130.08611	0.8
135.04468	1.3
139.00288	1.1
149.02374	2.4
153.09126	3.3
155.03406	4.1
163.03960	0.9
165.05498	2.2
173.04448	0.9
179.03297	0.6
189.05537	0.6
191.05562	2.3
197.08238	1.5
217.98627	0.5
232.06178	0.5
258.13022	0.6
362.87729	0.6
371.09875	1.8
371.13568	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	370.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38319	9.8
50.47879	10.4
56.41661	11.0
59.01257	58.4
61.97144	12.9
61.98700	83.3
69.28970	100.0
121.02802	17.2
123.04418	11.2
130.32463	11.6
141.56963	12.0
150.98570	11.8
191.05537	26.5
247.64342	12.4
256.83365	11.4
370.16913	13.0
371.14935	23.2
388.80759	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	371.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	0.9
59.01252	1.5
60.99180	0.5
67.01757	4.3
69.03329	1.2
69.28423	3.5
71.01259	3.0
81.03339	0.7
83.04879	0.7
85.02807	0.6
88.03923	0.4
93.03334	20.6
94.02853	0.4
94.03667	0.5
95.01263	0.4
98.06020	0.3
98.19866	0.8
101.02306	0.8
109.02833	0.7
111.00767	1.2
111.04409	4.5
126.56400	0.4
127.03945	0.4
135.04472	0.4
137.02342	3.7
153.07858	0.6
153.09120	11.0
155.03421	4.7
172.60818	0.3
173.04466	100.0
174.04781	3.8
191.05537	2.7
197.08104	4.4
208.00023	0.6
235.69817	0.4
308.06760	0.4
310.08621	0.4
326.07803	0.5
341.10321	2.0
351.63062	0.4
353.04587	0.3
356.12595	0.6
371.06366	0.9
371.13489	5.8
372.13275	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63567	1.2
55.75670	1.4
57.51958	1.2
59.00958	2.1
59.01250	36.5
62.19626	1.3
66.03342	1.4
67.01736	2.0
69.03318	5.2
70.25524	1.1
70.31668	1.2
70.79489	3.9
71.01258	10.2
72.99160	1.7
73.02822	1.9
75.66217	1.2
84.04422	3.5
85.02827	5.8
87.00750	4.4
89.02319	7.9
91.05381	1.7
93.03325	4.0
95.04880	2.0
97.02837	16.0
99.00761	4.9
100.03932	1.8
101.02345	7.2
102.05499	12.1
107.04871	2.0
109.02855	1.7
111.00723	1.6
113.02325	3.3
116.04945	2.2
117.03339	2.8
118.06470	2.0
119.03391	4.6
119.04916	7.5
120.08064	2.1
121.02863	13.1
122.02376	8.3
123.04423	3.7
128.03398	3.7
131.03659	4.2
135.04408	3.9
144.08078	5.2
146.04485	7.9
146.06020	17.3
146.09596	1.8
147.04414	29.4
148.03928	3.0
149.05975	4.7
150.05457	1.5
151.07600	2.8
152.03381	2.1
152.07042	2.9
157.05225	12.3
159.02847	2.0
162.09186	1.8
163.06340	4.0
164.07085	13.8
165.05479	7.1
167.07079	1.5
170.78481	1.4
172.07593	24.2
174.05548	6.8
175.06152	2.8
178.08649	50.1
179.08951	2.4
180.06606	1.7
182.08098	10.6
188.07135	4.3
188.10750	1.9
189.07852	4.8
190.08650	12.1
191.03458	8.1
191.05063	1.7
191.46600	1.4
192.06169	2.0
196.09685	5.9
202.08702	2.1
204.10233	100.0
205.10579	5.6
207.06570	4.4
220.13332	3.7
222.07829	7.2
222.11264	27.6
248.09245	2.6
250.10756	2.4
260.27817	1.6
264.12335	2.3
266.10269	15.3
282.13474	3.4
308.11441	5.3
326.12457	5.7
352.10434	2.2
353.08881	1.4
370.11395	23.4
371.09485	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	369.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13504	0.6
57.03324	1.0
59.01249	5.9
70.55802	1.1
70.56167	1.3
71.01239	1.3
78.95777	0.6
89.02342	3.2
91.03886	11.7
95.74811	0.5
104.08910	0.5
107.02004	0.6
113.09607	2.5
179.14311	1.2
193.62488	0.5
195.13846	16.1
251.23778	0.7
277.18576	0.9
277.21707	15.3
278.22116	2.1
295.22781	100.0
296.23145	11.1
297.24338	2.7
298.24557	0.6
369.17355	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76693	0.6
53.76864	0.5
59.01229	1.5
63.26933	0.5
66.90555	0.6
69.03284	1.1
71.02848	1.1
71.03172	0.7
79.27597	0.6
83.63825	0.6
88.38672	0.7
89.02271	0.6
93.03349	0.8
100.52349	0.6
112.47243	0.6
117.70210	0.6
123.04433	1.1
132.02063	4.5
145.02818	1.2
146.03545	1.9
155.03445	0.8
160.01581	11.8
161.02357	1.3
161.05960	1.0
163.03908	0.9
164.04675	1.9
173.04440	1.7
175.03835	0.9
179.07065	8.6
191.05550	1.3
206.08208	0.9
207.08325	2.0
216.07756	0.7
220.05180	0.8
221.06097	1.4
222.06775	4.1
223.07574	2.3
224.08324	2.3
225.05515	2.4
226.06448	0.8
228.07753	0.8
233.06029	1.3
235.07578	1.4
236.08159	0.6
237.09164	0.8
238.06274	2.2
239.07036	2.1
239.10898	0.9
240.07875	10.7
241.08185	0.7
243.06555	5.3
244.07439	4.9
249.05499	1.1
250.06357	1.7
251.07086	3.8
252.07826	2.6
253.04924	0.9
255.10262	5.4
261.05365	0.6
262.06302	1.7
263.07162	2.3
267.06564	2.2
267.10205	2.3
268.07382	17.9
269.07816	0.9
272.06906	0.8
278.05798	1.5
279.06589	5.9
280.07367	15.6
281.08008	2.8
283.06503	1.1
283.09708	15.8
284.10065	1.8
291.06534	1.7
293.08209	3.9
294.08911	2.5
295.06052	2.7
295.09427	1.1
296.06924	11.7
297.07220	1.6
306.05508	1.1
307.06161	3.2
308.06888	18.4
308.10153	0.8
309.07626	15.7
310.08093	1.9
311.09189	8.5
321.07681	5.8
322.08408	9.7
323.09213	37.3
324.06314	17.5
324.09976	16.2
325.06589	2.5
325.10449	1.9
337.10782	9.7
338.08371	0.7
338.11542	20.8
339.08701	100.0
339.12238	8.8
340.09091	10.8
353.10245	6.4
354.11066	64.1
355.11356	6.4
369.13431	57.9
369.18307	1.1
370.13852	8.9
376.03827	0.7
377.02945	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1188
Annotation	sinapaldehyde glucoside
Peak:m/z	Relative Intensity
59.01255	1.2
70.41213	0.5
71.01252	0.5
71.15430	0.5
71.50745	0.6
77.37337	0.5
85.02802	2.5
93.03358	0.5
101.02332	1.0
108.02044	0.7
109.02829	3.9
111.00751	0.5
121.02851	0.8
122.03623	27.2
124.01530	2.0
135.04358	0.5
136.01585	0.5
137.02341	5.0
145.15123	0.5
148.05220	1.2
149.02409	0.5
154.02617	5.9
155.02991	0.4
161.05989	3.5
162.06740	0.7
163.07550	100.0
164.07901	5.2
189.05426	1.1
191.05547	0.8
193.08633	1.6
207.06557	70.2
208.06932	4.7
225.07600	1.6
249.07544	0.6
279.08798	1.2
369.11978	8.8
370.12149	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	3.7
58.92257	0.3
59.01244	3.9
71.01241	0.8
71.30248	0.7
73.01608	0.3
89.02306	0.5
91.03876	0.4
95.04900	0.4
97.06483	0.8
106.85191	0.3
109.06474	0.7
110.93546	0.4
113.09608	17.0
114.09942	0.6
116.54791	0.4
117.02689	0.3
135.11626	0.4
139.11195	2.1
149.09572	0.5
161.04445	0.6
165.12749	0.3
167.10681	2.2
177.12770	1.2
179.10732	1.7
191.48541	0.4
195.13808	2.9
198.58751	0.3
235.11751	0.4
249.22208	2.1
268.86398	0.3
273.85010	0.4
275.20221	0.5
293.21216	100.0
294.21545	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	367.2639
Annotation	Chemanox 22
Peak:m/z	Relative Intensity
59.01254	2.5
71.49786	1.4
71.50164	1.2
78.95794	1.3
79.42437	1.2
83.69834	1.4
87.19196	1.2
133.06485	8.0
149.09621	75.1
150.09941	4.7
151.60849	1.2
205.15913	42.0
206.16251	2.9
221.24451	1.3
234.06982	2.0
282.78534	1.3
295.16943	2.4
328.16522	1.5
367.26410	100.0
368.26685	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	369.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02888	1.2
57.48037	1.1
59.01240	3.4
60.99167	2.4
67.01749	5.1
69.03313	1.4
71.01257	3.5
71.49223	1.0
73.02803	1.3
75.76381	1.1
81.03330	2.6
85.02818	11.4
87.00746	8.8
93.03328	33.3
93.03926	1.9
94.03701	1.5
105.03410	1.3
107.04896	1.8
109.02807	3.3
111.04372	5.1
121.14807	1.1
122.03606	4.4
123.04427	32.9
124.04714	1.2
125.02316	2.2
127.03891	2.3
127.88197	1.2
129.01889	1.2
133.02847	16.1
135.04422	1.2
137.02240	1.9
149.02341	2.4
151.03865	4.1
154.02571	1.2
168.51520	1.1
173.04478	22.7
177.01801	8.5
191.05534	100.0
192.05869	8.3
195.02892	12.9
205.03476	3.2
223.04562	2.7
369.08173	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	367.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	4.6
55.45157	0.7
57.03326	4.3
58.00469	1.4
59.01252	37.3
60.99153	1.4
67.01748	2.3
69.03323	2.2
69.80686	4.3
71.01257	53.8
72.99184	3.1
73.02824	29.9
75.00744	2.4
81.03313	1.4
83.01262	13.9
83.04922	1.2
85.02826	34.4
85.99979	1.0
87.00760	8.9
89.02312	8.6
93.03339	17.5
95.01266	3.4
97.02839	3.6
99.00763	12.1
99.04401	1.4
99.46591	0.8
101.02327	61.9
102.02685	1.3
104.04910	1.3
109.02856	1.7
111.00797	1.6
111.04417	2.9
113.02330	21.8
115.03928	1.8
117.03353	0.9
121.02846	3.4
122.03604	0.8
125.02330	3.1
127.00275	1.5
127.03949	1.8
129.01820	1.5
131.03362	3.7
132.04472	1.9
134.03638	18.9
137.02368	1.0
139.03920	2.7
143.03409	3.4
143.07062	1.6
149.02344	8.1
149.04402	1.8
149.06032	1.1
151.03929	2.0
154.02579	1.0
155.03481	1.2
159.02998	5.4
159.04185	1.0
160.03932	1.4
161.04463	19.6
165.01770	0.9
173.04486	7.5
176.03442	1.6
189.04251	1.0
190.04695	0.8
191.05559	58.3
192.05896	1.6
193.01328	2.8
193.04996	16.7
204.06604	1.4
205.03586	1.5
205.06953	2.4
206.04559	0.9
216.58844	0.8
229.01402	1.2
233.06609	2.3
235.11833	100.0
236.12146	4.9
279.10751	1.2
293.08701	0.9
324.10654	0.8
339.05093	1.5
367.16077	75.0
368.16373	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	367.161
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	3.5
57.03317	2.7
58.00451	1.1
59.00955	2.0
59.01252	28.0
67.01778	1.7
68.90968	1.1
69.03320	1.8
69.25008	7.9
69.25416	2.6
71.01254	49.6
72.99176	3.0
73.02821	23.9
75.00760	1.7
83.01258	8.9
85.02827	29.7
85.99973	1.1
86.79152	1.1
87.00751	7.4
89.02328	10.0
93.03337	24.4
95.01265	4.1
97.02830	2.1
98.20577	2.5
99.00761	10.1
101.02332	49.5
102.02658	1.0
109.02834	3.1
111.00677	1.3
111.04375	4.5
113.02337	23.3
115.03876	1.1
121.02847	21.3
122.03647	8.5
123.04395	2.5
124.01577	2.6
125.02337	3.5
127.00261	1.2
127.03896	1.4
129.01839	1.7
131.03401	3.3
134.03621	4.4
137.02376	5.7
139.03917	10.6
141.86938	1.1
143.03404	3.0
149.02354	45.1
149.04308	1.8
150.02655	2.4
151.03915	5.6
154.02632	4.3
155.03365	1.8
159.02905	3.2
161.04478	19.4
165.01828	1.3
171.03003	1.3
173.04480	17.7
174.97169	1.1
175.00252	1.2
176.01060	2.3
177.01875	3.0
177.34483	1.0
177.93475	1.1
191.05559	78.8
192.05879	1.4
193.01407	12.8
193.05008	4.5
194.02185	7.0
195.02933	2.1
196.83612	1.2
205.03499	1.9
215.05527	2.4
229.01520	2.3
233.06682	2.1
235.11845	100.0
236.12151	4.7
245.02968	2.7
257.47937	1.0
279.10837	1.3
291.97385	1.1
330.46872	1.2
339.05298	2.3
367.06717	6.2
367.16068	88.8
368.07394	1.4
368.16287	9.8
374.13083	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1185
Annotation	10-Demethoxystegane
Peak:m/z	Relative Intensity
55.40100	1.0
57.31573	1.0
59.01245	16.3
62.54140	1.2
67.01765	1.4
69.03313	1.5
69.24426	11.0
69.70054	0.9
71.01257	2.6
81.77100	1.1
87.00748	1.1
90.58936	1.0
93.03333	4.7
97.17598	1.3
99.00779	4.9
108.01437	1.2
109.02808	1.5
111.00794	1.4
111.04411	1.1
111.95559	1.4
119.04903	2.0
121.02821	1.3
135.04376	1.4
137.02345	1.5
137.81877	0.9
148.05186	17.5
149.02356	1.8
151.92424	1.1
157.02847	2.1
162.03087	6.9
163.07568	9.5
173.04482	8.5
177.05492	10.7
179.03491	1.5
191.05621	5.8
201.00273	1.2
207.08118	1.5
221.06020	4.7
222.06845	10.5
223.04106	1.4
223.07526	2.1
225.05597	1.8
233.05969	1.6
234.06754	1.5
235.07556	3.0
237.05540	3.2
238.06253	12.8
239.06702	1.9
241.05008	9.5
242.05817	7.4
249.05518	6.0
250.06303	8.5
251.07088	4.7
253.08714	1.6
263.07196	1.3
265.05002	2.4
266.05804	12.9
270.05334	2.0
277.05063	6.0
278.05841	62.5
279.06454	11.6
279.12390	2.9
281.05402	1.1
281.08112	6.6
291.06607	4.8
292.07318	5.5
293.04749	1.6
293.08072	3.5
294.05402	9.7
295.05426	1.4
305.04474	2.7
306.05325	41.6
307.06085	31.6
307.09351	1.8
307.11832	4.9
308.06442	2.7
308.12509	1.2
309.04446	1.4
309.07571	5.4
319.06241	1.9
320.06912	9.3
321.07654	100.0
322.04767	11.1
322.08325	26.5
323.08795	2.5
335.09238	9.9
336.05939	2.5
336.10010	55.9
337.07144	60.9
337.10760	17.6
338.07523	8.7
338.11108	1.9
351.08722	6.6
352.05447	2.2
352.09500	31.7
353.09802	4.1
367.12042	28.2
368.11765	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	367.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19549	0.4
57.01940	0.6
59.01250	5.5
59.61158	0.4
63.93583	0.5
67.08937	0.4
69.39101	0.9
69.39503	3.1
71.01276	0.5
90.28629	0.5
91.94329	0.5
93.03342	0.8
94.94827	0.4
96.95914	1.4
99.00777	0.5
102.33770	0.6
117.47363	0.5
119.04897	0.7
121.02853	1.4
135.04459	0.6
147.04433	2.0
148.05214	100.0
149.05550	4.9
163.03946	4.5
163.07567	63.9
164.07893	3.3
173.04491	0.9
191.05554	1.5
220.77019	0.5
288.65161	0.5
305.66403	0.5
354.81967	0.5
367.14249	2.6
378.47400	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87543	0.4
56.89671	0.4
57.03331	2.2
59.01253	14.0
60.99176	5.8
65.03844	0.7
65.38783	0.4
67.01759	16.0
69.03332	3.8
69.18714	4.6
71.01254	6.3
71.04884	0.7
73.02825	0.9
81.03330	3.5
83.01283	0.5
83.04897	1.8
85.02824	1.6
87.00753	20.9
89.02342	0.6
91.70670	0.4
93.03336	100.0
94.03674	2.9
99.00770	2.4
99.04401	1.2
101.02338	1.5
109.02851	1.6
111.04404	15.4
112.04747	0.7
113.01542	0.4
113.02312	2.5
115.03893	1.2
121.02856	0.5
125.02422	0.6
126.02948	0.4
127.03850	0.5
129.01802	3.4
134.03639	28.1
135.03954	0.5
137.02347	1.9
143.03389	1.3
149.02403	0.5
149.06004	1.8
153.26357	0.4
155.03406	3.2
173.04483	55.2
174.04854	1.4
178.02658	1.6
178.88933	0.4
191.05559	3.0
193.01424	0.6
193.04993	9.6
307.17703	0.7
317.54416	0.5
330.28625	0.5
367.10342	31.3
367.18478	1.4
368.10663	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
57.70061	2.4
59.01248	13.3
60.01428	2.0
67.01756	3.9
70.96640	2.0
71.01239	3.3
79.95612	6.4
81.40858	2.1
85.02802	3.8
87.00749	3.2
93.03349	24.2
96.95889	19.6
98.20595	5.0
101.02361	2.4
103.69865	2.1
109.02865	2.4
111.04407	4.8
121.02847	4.5
135.04401	10.4
137.02364	4.3
139.03889	2.3
148.05191	24.5
149.02330	6.4
155.03419	2.4
162.03156	6.2
163.07538	20.7
167.91962	2.5
173.04449	34.2
174.04906	2.7
176.03983	11.7
177.05463	12.6
179.03494	6.6
191.05525	36.3
193.01360	4.1
215.05467	2.3
221.05960	6.1
222.06786	10.9
223.04005	3.7
234.06833	3.9
237.05595	3.3
238.06300	11.4
241.05052	14.2
242.05759	7.8
249.05573	9.1
250.06294	9.5
251.07053	5.2
263.06995	3.0
265.08817	2.5
266.03235	2.9
266.05841	15.3
277.05048	8.2
278.05820	72.4
279.06546	13.2
281.08148	6.8
292.07407	5.4
293.04462	3.2
293.07928	4.3
294.05359	9.6
305.04596	5.2
306.05325	38.1
306.08609	3.1
307.06104	29.5
307.09509	4.2
308.06485	3.5
309.07666	5.7
314.15509	2.5
319.05960	2.8
320.06866	12.7
321.07663	100.0
321.58826	2.8
322.04730	13.2
322.08313	34.3
335.09280	12.4
336.10022	82.2
337.07120	68.7
337.10733	26.8
338.07391	7.9
351.08719	15.2
352.09528	39.4
353.09821	6.3
367.11450	49.9
368.12158	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	367.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11449	0.4
59.01253	1.4
59.49738	0.4
60.99177	1.6
67.01754	4.3
69.03329	1.2
69.88521	0.3
71.01247	1.4
71.02230	0.6
71.02582	0.5
81.03327	1.1
83.04908	0.9
85.02825	4.4
85.03297	0.5
87.00751	6.4
93.03337	26.5
94.03670	0.8
99.00753	0.6
99.04411	0.4
109.02839	0.5
111.04398	3.2
113.02367	0.6
117.03358	1.3
127.03901	1.6
129.01863	0.6
134.03633	10.9
134.04660	0.6
137.02322	0.5
149.05968	0.7
155.03391	1.0
158.83788	0.3
173.04474	11.1
175.03955	0.5
178.02756	0.3
191.05544	100.0
192.05890	4.1
193.05006	5.7
193.06706	0.2
194.05385	0.3
207.32407	0.3
225.26125	0.3
225.30333	0.3
235.11790	0.3
243.30650	0.3
367.10278	4.2
368.10669	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2697
Annotation	(+)-Plumosol
Peak:m/z	Relative Intensity
53.18292	0.5
59.01244	0.9
66.84412	0.3
66.84819	0.4
69.20831	3.3
69.21249	0.8
84.83186	0.4
85.06443	2.4
98.19837	0.8
101.02290	0.4
145.78665	0.4
165.12703	0.4
182.59419	0.4
199.13351	1.7
214.28159	0.4
219.17369	0.7
224.87599	0.4
226.77977	0.4
261.18640	1.0
279.19647	17.6
280.20038	1.4
332.13721	0.3
336.34323	0.4
347.25916	5.7
348.26321	0.5
363.25204	1.0
365.26956	100.0
366.27301	12.0
381.59912	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03215	0.6
57.03322	1.1
59.01249	7.3
60.02403	0.6
62.41536	0.5
71.01243	1.6
71.50716	1.2
80.56705	0.6
83.04902	1.2
84.13366	0.6
84.54816	0.5
84.83175	0.6
89.02285	0.6
95.04895	0.9
99.86089	0.6
111.08045	8.2
113.02267	0.7
137.09645	0.6
167.10655	2.0
177.12737	2.0
179.10657	1.6
195.13800	6.6
203.14357	0.6
238.62112	0.6
247.20596	2.1
249.18794	0.8
267.19525	1.2
273.18542	2.1
291.19656	100.0
292.19989	9.4
336.57806	0.6
365.16360	1.4
365.23267	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	365.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	100.0
70.78569	32.0
71.50204	29.4
71.50620	31.5
104.56437	29.1
134.79890	32.4
145.38647	31.3
193.39732	26.4
266.87692	36.6
299.23056	32.1
355.87445	34.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	1.6
57.03316	0.9
58.00471	0.8
58.67651	0.5
59.00961	1.4
59.01252	26.8
69.03319	1.0
69.61958	4.5
71.01254	15.3
71.04877	0.7
73.02823	5.0
75.00716	0.7
83.01273	3.7
85.02822	17.6
85.06454	2.0
85.99964	0.8
87.00733	1.6
89.02319	7.6
95.01237	1.5
99.00744	1.7
99.04385	7.1
101.02329	10.0
111.00786	0.9
111.07959	0.6
113.02337	4.5
119.03374	2.7
127.11143	0.8
161.04445	0.8
164.04890	0.7
183.10190	2.6
201.11264	5.1
215.36069	0.7
274.62546	0.6
305.80136	0.7
345.15137	3.3
363.16589	100.0
364.16977	7.2
379.02097	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88329	0.4
55.01762	4.0
57.03318	2.5
58.00463	2.0
59.01253	36.1
68.90239	0.5
69.03315	0.9
70.13769	1.9
71.01255	24.6
71.04900	0.6
72.01584	0.7
72.99181	1.9
73.02821	7.4
75.00745	0.5
83.01261	7.7
85.02825	12.6
85.99970	2.1
87.00749	1.6
89.02319	7.8
95.01287	2.7
95.14852	0.4
97.02839	0.7
99.00777	2.3
101.02326	21.2
111.00758	1.7
113.02341	7.6
119.03410	3.9
138.05528	0.6
153.09073	0.5
159.02936	0.4
161.04488	1.4
179.05521	0.8
183.10173	2.1
188.07605	0.5
192.62148	0.4
201.11212	2.3
257.13016	0.6
333.15646	3.4
345.15536	47.1
346.15915	5.1
363.16608	100.0
364.12671	0.8
364.16943	9.3
377.44870	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1811
Annotation	Xerophilusin C
Peak:m/z	Relative Intensity
59.01248	5.6
60.80666	0.9
71.01256	3.5
80.02545	1.3
95.01263	1.0
97.06436	1.3
98.19853	2.2
104.78758	0.8
109.06491	6.9
111.08044	1.6
119.42694	0.8
121.02843	1.1
121.06465	0.9
121.10152	1.2
123.00769	16.4
123.08029	1.4
123.48812	0.8
125.09574	1.4
135.04468	1.0
137.02344	3.4
149.02362	7.5
149.06036	1.7
165.12723	1.7
167.07065	6.1
179.06786	0.8
181.12285	0.9
207.09973	1.7
257.78079	1.0
263.16599	1.6
280.64563	1.0
285.14819	2.5
289.18283	0.9
301.14276	1.6
301.17981	2.0
317.17545	3.4
319.18924	1.0
327.15781	1.5
335.18588	15.3
363.18106	100.0
364.18497	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	365.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	2.0
57.03324	0.9
58.00446	0.3
59.01256	11.7
61.66006	0.3
66.94509	0.3
68.73774	0.3
69.03320	0.4
69.60688	2.4
71.01256	11.6
72.99189	0.7
73.02822	77.0
74.03154	1.2
83.01266	1.9
85.02827	6.1
87.00752	0.6
89.02319	2.9
95.01269	0.6
97.02821	0.6
99.00764	1.8
101.02325	12.1
108.36716	0.3
111.00768	0.4
111.56526	0.3
111.57303	0.4
113.02338	4.6
116.04952	4.3
119.03393	1.0
123.07407	0.3
127.11187	0.5
129.01880	0.6
129.09151	0.4
141.72203	0.3
142.06519	0.9
143.03363	0.4
144.39598	0.3
158.06010	1.2
159.02919	0.9
161.04471	2.7
167.06970	0.6
168.07310	0.5
173.01385	0.3
173.11755	6.1
185.11850	0.5
186.05527	7.3
191.05493	1.2
203.12822	0.5
215.64624	0.4
240.33287	0.4
271.61890	0.3
291.14456	3.3
315.93573	0.4
317.16006	0.5
335.17157	5.1
336.17615	0.4
347.17117	3.2
365.18149	100.0
366.11884	3.2
366.18484	9.0
366.22894	0.7
375.16339	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94198	1.0
55.01741	3.0
57.03310	3.2
58.00451	2.4
59.01251	52.9
60.01617	1.1
67.01767	1.1
69.03322	1.2
69.25701	2.3
69.26119	7.0
71.01252	47.5
72.99165	4.3
73.02448	1.3
73.02821	12.1
82.00544	0.9
83.01258	5.8
85.02824	19.0
87.00750	3.8
87.04374	1.5
89.01768	1.3
89.02312	22.6
93.03345	1.1
95.01241	3.5
96.95877	1.1
97.02832	1.3
98.19753	1.7
99.00740	3.7
101.02322	37.2
110.60814	1.0
112.21145	0.9
113.02341	16.5
119.03393	12.3
141.09052	1.0
143.03470	1.7
155.10703	1.7
159.02890	2.2
161.04483	8.4
165.09200	1.2
167.06967	1.2
179.05579	2.1
183.10185	20.8
201.11203	2.2
203.12840	1.6
207.45035	1.0
216.09676	1.1
319.17590	2.5
348.15359	1.0
363.16605	100.0
364.16998	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	361.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	3.0
61.42019	0.6
69.50462	3.0
69.50884	1.7
71.01251	2.6
73.02835	2.3
85.02826	1.9
87.04396	2.2
101.02332	1.9
113.02346	3.0
135.08076	1.7
137.09634	8.9
137.89700	0.7
155.10696	91.1
156.11021	4.9
161.02386	0.7
169.12289	1.3
181.08653	1.7
181.12834	0.7
191.05542	2.2
197.67270	0.7
199.09708	100.0
200.10068	7.8
203.59819	0.7
213.11203	1.2
240.04172	3.3
241.10765	6.0
255.06596	1.2
283.06140	1.4
298.08484	2.5
313.10791	7.0
314.11017	1.2
361.14886	2.0
376.73267	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	2.3
57.03319	2.3
58.00462	0.5
59.01247	10.6
69.03323	0.4
71.01251	17.7
71.37351	0.7
72.99176	1.3
73.02816	4.0
75.00752	0.6
80.51127	0.3
83.01275	2.0
83.04900	0.7
84.02058	0.3
85.02820	6.2
87.00744	1.2
89.02317	6.3
92.87362	0.3
93.03316	1.1
95.01252	1.3
99.00763	2.6
99.04386	3.3
101.02322	10.6
102.02702	0.3
113.02323	7.9
119.03398	2.5
119.08562	3.7
121.06465	0.8
123.04419	0.6
125.02273	0.7
125.09604	0.6
135.08110	1.9
137.03365	0.4
137.09616	20.8
138.09927	0.9
143.03383	1.2
151.03841	0.3
151.07538	0.5
153.09059	0.3
159.02907	1.3
161.04463	10.0
169.07257	0.7
169.08614	9.2
170.08943	0.3
173.04529	0.3
176.03868	0.4
179.05542	0.9
179.06985	0.3
181.08615	100.0
182.08952	5.9
191.05542	3.0
192.05905	0.4
193.05913	0.4
199.09668	11.3
199.51169	0.3
200.09990	0.7
205.03496	0.6
222.07751	0.3
361.15015	70.7
362.15341	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	363.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	4.3
66.28139	0.4
69.03316	0.4
69.81095	1.8
69.81499	0.8
71.01248	3.5
73.02811	1.0
85.02833	0.9
85.65907	0.4
87.00778	0.4
89.02320	2.5
93.03336	1.5
95.68102	0.4
96.95925	0.4
98.19898	0.8
101.02327	2.3
107.04891	1.0
108.02037	1.5
109.02807	0.8
111.04463	0.5
113.02354	0.9
119.03396	0.7
121.02840	13.6
122.03630	12.0
123.04462	0.8
124.01565	1.6
134.03627	15.8
135.04440	7.7
136.01555	0.5
137.02316	2.0
137.05994	1.6
146.03627	18.6
147.04366	0.9
149.05984	29.0
150.03125	3.1
150.06328	1.5
154.02669	2.0
161.02325	0.5
161.04601	0.6
161.05986	9.5
162.03130	0.5
163.03902	0.6
164.04700	9.3
165.05473	17.3
166.06268	18.3
167.07045	100.0
168.07379	4.7
177.05444	0.7
179.07051	49.5
180.07391	2.9
183.10178	0.6
191.05550	1.1
193.08629	1.4
195.06638	0.5
205.73892	0.5
221.08136	8.7
222.08492	0.9
225.34492	0.4
277.13974	0.5
312.10101	0.5
315.12424	5.8
327.08707	0.8
327.12347	7.4
328.12573	0.5
345.15421	0.8
363.16632	9.0
363.23685	0.5
364.16797	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1504
Annotation	Suspensoside A
Peak:m/z	Relative Intensity
50.98899	2.2
55.01766	2.5
57.03335	2.8
58.00473	3.5
59.00954	4.8
59.01250	100.0
67.09895	2.0
69.03317	3.7
71.01256	74.1
71.21064	3.6
71.21400	3.6
72.99194	7.2
73.02823	3.3
75.00719	2.4
75.81288	2.3
83.01238	2.5
85.02818	18.9
85.34411	2.0
87.00757	6.0
89.02318	51.3
93.03358	5.4
95.01284	6.4
96.95901	10.4
99.04408	2.8
101.02324	46.8
113.02327	35.8
119.03384	25.3
119.08530	3.0
123.14376	2.2
137.09598	8.6
145.93152	2.3
155.03398	2.8
161.04445	5.0
163.03935	3.6
163.07544	3.9
175.56519	2.8
179.05518	4.3
181.08635	6.0
191.05557	9.8
331.13943	4.9
343.13928	4.8
361.10855	2.9
361.15018	67.0
362.15250	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01741	2.7
55.65625	1.0
57.03321	2.1
57.84457	1.0
58.00464	3.8
59.01251	100.0
60.01611	0.9
69.03323	4.7
70.25813	3.8
71.01253	61.3
72.01604	1.2
72.24012	0.9
72.99175	5.6
73.02824	3.8
73.63583	0.9
83.01254	4.2
85.02814	15.6
87.00766	2.1
89.02316	54.9
95.01268	5.7
95.04955	1.2
96.95881	4.4
99.00768	1.7
101.02321	37.8
113.02333	45.2
119.03390	28.8
119.04804	1.5
131.03377	2.1
135.33817	1.1
137.09618	14.6
138.10068	1.1
139.37958	1.1
140.07034	3.2
143.03404	2.9
149.04424	1.5
153.09120	2.7
154.32819	0.9
155.03415	1.4
161.04388	2.2
179.05531	4.7
181.08620	7.3
199.05907	1.0
242.29054	1.0
263.81897	1.0
297.65155	1.0
322.76901	1.1
361.10883	2.9
361.15024	75.2
362.15463	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	361.1503
Annotation	Gibboside
Peak:m/z	Relative Intensity
51.05825	0.5
57.03314	0.9
58.00480	0.6
58.02177	0.5
59.01245	5.6
59.38354	0.4
68.79156	0.6
69.67191	3.0
71.01252	5.2
71.04880	0.5
73.02813	2.4
83.01230	0.6
85.02824	3.0
87.00764	0.5
87.04394	3.0
89.02314	2.3
93.03336	1.5
95.01269	0.9
97.02795	0.8
101.02318	3.5
109.02807	1.0
113.02327	3.2
115.00233	3.9
121.02875	0.8
125.02351	0.8
133.01326	6.3
135.04434	2.2
135.08104	1.5
136.01541	0.7
137.02312	0.7
137.09622	9.8
138.09848	0.6
151.03938	0.6
155.10681	100.0
156.11009	4.9
159.65721	0.5
166.06255	2.3
169.12248	1.2
173.04446	0.6
176.03926	5.5
176.54175	0.6
179.03467	2.7
179.04756	0.5
181.08618	2.3
191.05569	1.2
199.09686	96.6
200.10054	5.2
201.11409	0.5
213.11230	0.9
220.76524	0.6
241.10760	7.3
256.06616	0.5
258.94217	0.5
269.04523	7.8
270.04932	1.3
271.06091	0.6
272.06894	0.6
287.09048	0.6
288.07538	0.9
301.20276	0.9
319.21234	3.6
331.08194	1.2
361.12485	0.9
361.15314	0.8
361.22327	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	361.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05825	0.5
57.03314	0.9
58.00480	0.6
58.02177	0.5
59.01245	5.6
59.38354	0.4
68.79156	0.6
69.67191	3.0
71.01252	5.2
71.04880	0.5
73.02813	2.4
83.01230	0.6
85.02824	3.0
87.00764	0.5
87.04394	3.0
89.02314	2.3
93.03336	1.5
95.01269	0.9
97.02795	0.8
101.02318	3.5
109.02807	1.0
113.02327	3.2
115.00233	3.9
121.02875	0.8
125.02351	0.8
133.01326	6.3
135.04434	2.2
135.08104	1.5
136.01541	0.7
137.02312	0.7
137.09622	9.8
138.09848	0.6
151.03938	0.6
155.10681	100.0
156.11009	4.9
159.65721	0.5
166.06255	2.3
169.12248	1.2
173.04446	0.6
176.03926	5.5
176.54175	0.6
179.03467	2.7
179.04756	0.5
181.08618	2.3
191.05569	1.2
199.09686	96.6
200.10054	5.2
201.11409	0.5
213.11230	0.9
220.76524	0.6
241.10760	7.3
256.06616	0.5
258.94217	0.5
269.04523	7.8
270.04932	1.3
271.06091	0.6
272.06894	0.6
287.09048	0.6
288.07538	0.9
301.20276	0.9
319.21234	3.6
331.08194	1.2
361.12485	0.9
361.15314	0.8
361.22327	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	359.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	0.6
59.01246	1.4
60.99165	0.3
67.01758	4.0
69.03321	1.1
69.30045	0.9
69.30468	1.0
71.01256	3.0
81.03337	0.8
83.04883	0.9
85.02818	0.5
87.00735	0.3
91.43256	0.2
93.03332	25.2
94.03699	0.7
99.04400	0.3
107.88787	0.2
109.02837	0.9
111.00760	0.6
111.04395	5.0
113.02277	0.4
135.04417	0.2
137.02341	5.2
139.11220	0.4
155.03401	4.7
162.03125	0.5
163.03914	0.5
173.04462	100.0
174.04814	4.4
185.11749	17.4
186.12123	1.0
191.05586	0.5
219.01163	0.2
318.71982	0.2
359.17102	10.2
360.17389	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	359.1345
Annotation	Semperoside
Peak:m/z	Relative Intensity
50.39787	0.4
55.01742	0.9
58.00456	1.4
59.01250	32.8
66.85133	0.5
69.03323	3.2
71.01253	18.8
71.27470	1.0
72.99191	1.5
73.02827	0.7
83.01240	1.1
83.04913	1.9
85.02823	4.6
87.00745	5.6
89.02319	13.3
91.05415	1.0
92.99362	0.4
93.03344	3.7
95.01272	1.8
95.04943	0.5
101.02327	8.7
107.04927	1.6
108.02084	0.7
109.06470	19.0
110.06808	0.7
113.02315	5.4
117.07014	1.0
119.03390	4.4
119.04883	0.5
123.04434	1.4
125.05991	0.9
131.03397	0.7
135.04474	1.1
135.08055	70.0
136.08394	3.3
137.12602	0.4
143.03468	0.5
151.03923	1.4
153.09120	44.5
154.09448	1.9
161.04387	0.7
173.04416	1.0
179.03418	6.8
179.05574	1.0
179.06883	2.1
181.08618	0.7
185.11752	9.0
191.05487	0.4
197.08121	100.0
198.08493	4.9
223.38783	0.5
255.81834	0.4
316.20786	0.4
359.13449	30.6
360.13757	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	359.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	0.3
57.03323	0.7
58.00466	1.7
59.01249	33.5
60.01551	0.3
68.86594	0.4
69.03324	6.4
70.17578	0.3
71.01254	19.7
71.52036	0.6
72.01622	0.5
72.99174	1.9
73.02834	0.6
81.03323	0.5
82.58224	0.3
83.01283	1.1
83.04904	1.3
85.02831	4.6
87.00750	6.8
89.02317	15.1
90.94374	0.3
91.05409	0.8
93.03329	3.5
95.01269	1.6
95.04919	1.2
97.02820	0.5
97.06494	0.4
99.00832	0.5
101.02317	9.6
106.04184	0.4
107.04915	2.1
107.54257	0.4
108.02088	1.4
109.02866	0.5
109.06474	20.2
110.06774	0.7
113.02325	6.7
117.06995	0.7
119.03382	5.9
121.02888	0.6
123.04401	4.2
125.02323	0.4
125.05983	1.4
131.03380	0.5
133.06494	0.9
135.04440	2.1
135.08051	63.1
136.08397	3.7
143.03403	1.0
145.45453	0.4
149.02396	0.5
151.03944	3.6
153.09116	49.8
154.09465	2.4
155.80444	0.4
161.04462	1.1
161.05956	0.6
166.06209	0.8
173.04431	1.4
173.18774	0.4
179.03419	10.5
179.05582	0.7
179.06929	2.7
180.03775	0.7
181.08635	1.0
185.11746	4.5
191.05557	0.6
197.08125	100.0
198.08466	5.5
281.09827	0.4
317.19809	0.5
359.13461	26.8
359.20758	1.0
360.13742	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	359.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46821	0.6
55.01751	1.1
57.03324	1.0
58.00469	1.4
59.01249	42.2
68.99699	0.8
69.03323	38.7
69.45181	3.5
69.45601	1.5
71.01251	35.7
71.16813	0.5
72.99177	3.8
73.02829	1.2
75.00745	2.2
79.05421	0.9
81.03317	2.1
83.01246	1.5
83.04908	0.7
85.02823	6.8
87.00742	4.4
89.02315	31.5
91.05398	2.2
93.03345	2.5
95.01257	2.1
95.04913	6.6
97.02831	2.3
97.06477	2.0
98.19802	1.3
99.00796	1.4
100.57154	0.6
101.02318	19.4
105.01840	3.6
107.04902	10.9
108.02058	8.5
109.02839	2.5
109.06478	3.0
111.04421	1.2
113.02327	13.2
119.03387	13.5
121.02828	1.9
123.04403	20.0
125.05982	13.1
131.03406	1.0
133.01340	1.4
133.02838	1.0
135.04408	11.4
136.01552	1.9
137.02354	2.0
137.05991	1.3
139.03886	1.0
143.03433	1.4
147.02794	0.6
147.04366	0.8
149.02458	0.8
149.04498	1.6
149.05859	0.9
151.03912	23.8
151.57860	0.6
152.04211	0.8
153.05473	8.0
161.02324	1.8
163.00244	0.9
163.04001	0.7
165.05515	1.7
173.04419	0.7
175.02414	1.4
177.05437	1.2
179.03413	100.0
180.03734	5.7
181.04984	1.4
183.06580	0.7
191.05559	1.2
196.03679	0.7
197.04507	3.4
239.05641	0.9
245.69212	0.7
269.06903	0.8
291.26569	0.6
341.08911	0.7
359.09915	13.2
359.14340	1.3
360.10187	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0807
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35571	0.2
56.02815	0.2
59.01251	1.1
70.62109	0.3
70.62467	0.8
79.35971	0.2
79.95605	6.1
79.96083	0.3
80.96400	0.5
93.03340	0.7
96.95894	0.5
107.04892	0.7
119.04919	100.0
120.05259	3.4
120.31097	0.3
135.04417	13.9
136.04735	0.7
146.52472	0.3
163.03938	6.9
164.04294	0.4
166.06203	0.6
173.04439	0.5
179.03442	0.3
180.07814	0.3
181.04921	0.3
181.08676	0.4
199.00642	38.3
200.01013	1.6
215.00145	20.5
216.00484	1.1
242.99629	4.1
258.85886	0.3
261.26120	0.3
287.22281	0.6
358.23306	0.9
359.08063	25.1
359.23611	1.5
359.28198	0.7
360.08347	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	357.2282
Annotation	oscr#21
Peak:m/z	Relative Intensity
55.01761	0.9
56.51511	0.7
57.03318	1.7
59.01247	2.7
64.23833	0.5
67.01759	0.7
68.99694	0.6
69.03337	4.2
71.01245	0.7
71.04890	1.4
71.06371	1.1
71.06740	1.4
78.95786	0.7
79.05398	0.7
79.95590	0.6
80.02540	0.7
81.03307	1.3
83.04897	4.0
84.02044	7.9
85.02840	1.4
85.06451	2.4
87.04373	2.9
90.47116	0.6
93.03351	1.2
95.04893	8.0
96.72678	0.6
97.06480	2.3
97.16312	0.5
99.04395	0.7
101.02343	0.6
109.02837	0.8
109.06461	0.9
111.04415	1.2
113.05997	3.0
119.04916	3.4
121.02798	0.8
121.06509	0.8
123.04405	0.9
123.08017	1.0
125.09607	3.9
127.11149	1.0
132.05630	0.6
135.04321	1.4
135.08044	1.0
137.09601	1.2
149.13406	0.6
151.11278	0.9
152.99475	1.6
153.09088	1.4
163.11198	1.1
165.12752	1.3
171.10184	15.8
172.10535	1.6
173.04424	0.8
175.11208	1.5
185.11765	1.4
191.05525	1.5
193.12277	18.6
194.12605	1.2
197.15436	1.3
199.00677	1.4
199.13312	1.0
201.11200	0.7
209.11804	2.0
211.13336	4.7
215.00119	1.1
219.13873	1.6
221.11784	0.8
225.14914	23.7
226.15234	1.5
237.15002	1.5
239.12762	0.6
243.15977	18.7
244.16302	1.5
249.14809	1.4
251.16541	4.1
253.14424	0.9
269.17517	4.6
281.17520	0.7
289.18021	1.3
312.09921	0.7
321.20737	1.3
339.21722	3.0
342.11087	1.8
357.13782	3.9
357.22812	100.0
358.23074	11.5
358.27252	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.228
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01216	5.8
59.01237	19.1
59.71589	5.6
61.98700	5.4
62.58173	5.3
63.73920	6.5
70.09222	21.4
71.01254	11.3
81.03340	19.8
83.01257	41.4
83.04906	9.2
84.02032	11.7
97.06457	7.5
104.16512	5.9
119.04886	9.3
121.02805	37.0
121.06473	5.4
125.02351	5.9
125.09621	70.1
133.02896	6.4
135.04398	11.7
139.11165	10.2
147.11697	7.9
163.11203	24.3
165.12685	10.2
173.04532	7.4
181.12207	7.9
185.11795	7.0
191.10661	49.5
199.13324	20.0
209.11746	76.0
223.13345	18.5
226.12061	57.4
239.12952	9.5
239.16470	17.3
241.14438	82.3
257.17490	8.6
289.17984	8.3
296.07101	5.4
357.06046	15.7
357.13480	11.2
357.22641	9.4
357.26523	100.0
358.26837	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	357.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30621	6.0
59.01257	100.0
68.45121	6.5
71.50831	10.8
75.97577	6.8
81.03316	17.9
83.01274	47.2
83.04896	10.5
84.02039	13.8
93.03336	8.6
96.95893	7.5
97.06497	9.0
119.04923	15.1
121.02865	39.5
121.58498	7.8
125.02403	8.7
125.09625	64.4
127.64100	7.1
135.04411	29.2
163.11218	9.6
165.12843	9.2
171.10152	10.5
179.10349	9.1
191.10750	47.2
209.11794	74.5
223.13289	16.3
226.12135	34.9
239.12904	11.2
241.14391	86.0
313.06870	8.1
342.07355	14.4
357.06137	11.2
357.09949	10.3
357.26431	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	357.2281
Annotation	oscr#21
Peak:m/z	Relative Intensity
57.03313	2.6
59.01239	3.8
61.89813	0.7
63.34159	0.9
64.15045	0.8
66.27465	1.0
69.03312	2.4
69.63509	0.7
71.01253	1.6
71.04893	2.2
71.51075	1.0
73.13110	0.8
78.95771	2.2
79.05399	1.6
79.26198	0.8
79.95612	1.0
81.03311	1.1
83.01244	2.5
83.04886	5.3
84.02042	6.9
85.02802	1.6
85.06452	1.6
87.04389	2.8
93.03326	2.3
95.04899	5.8
97.06470	1.8
99.04369	1.6
101.02302	1.0
106.04121	1.9
109.02801	1.0
111.04379	2.2
114.80910	0.9
115.00230	1.1
119.04930	5.5
121.02814	0.9
123.04404	4.5
125.02348	1.3
125.09604	2.7
127.11153	2.2
135.04445	3.0
135.08032	3.6
136.01566	0.8
137.02327	1.2
137.09599	0.8
151.11090	0.8
152.99495	2.4
153.09125	1.6
155.10754	0.8
161.02448	0.9
163.03867	1.1
163.11159	1.4
170.09288	1.1
171.10181	45.4
172.10455	1.8
173.04475	2.5
177.12752	1.1
179.03452	1.0
181.12334	0.9
185.11757	1.7
186.48979	0.8
191.05603	1.7
193.12270	9.4
195.13855	1.2
199.00627	2.4
199.13376	2.5
200.04712	2.0
203.28685	0.9
204.21767	0.9
209.11780	3.5
211.13330	3.5
219.13960	1.0
225.14882	12.4
237.14915	1.6
243.15927	6.6
245.19124	0.9
249.14900	1.3
251.12596	1.3
251.16577	1.7
269.17557	5.5
288.84689	1.1
289.18158	4.5
325.20193	1.5
339.15970	2.3
339.21661	2.4
357.06323	2.2
357.13290	2.9
357.17502	3.5
357.22797	100.0
358.23129	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	357.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04153	0.4
57.03326	2.2
57.89281	0.5
59.01244	1.9
60.99163	0.8
62.13253	0.4
67.01760	8.5
69.03321	3.7
69.54475	2.7
71.01250	4.7
71.04889	0.6
80.35459	0.4
81.03347	1.1
83.04899	2.2
85.02800	0.5
93.03333	44.0
94.03640	1.1
96.02047	0.4
98.19885	0.6
106.14648	0.4
109.02827	1.6
111.00758	1.4
111.04406	7.4
111.08001	0.7
112.62526	0.4
113.02304	0.5
117.85426	0.4
127.03864	0.8
137.02341	5.5
139.11154	2.2
155.03415	4.9
173.04469	100.0
174.04822	3.2
183.10185	7.9
203.81526	0.5
357.15552	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23839	0.4
57.03323	3.7
59.01241	4.1
60.01485	0.5
69.03325	11.6
69.38430	4.3
71.01241	4.2
71.04881	2.0
73.02815	1.0
81.03330	9.2
83.04899	1.1
85.02807	1.3
87.00753	0.7
88.45282	0.5
89.02322	2.7
93.03331	3.3
95.04911	0.5
101.02316	2.0
111.04401	2.9
111.08035	1.9
113.02331	1.8
113.05965	1.1
119.03390	1.4
123.08072	1.4
124.60666	0.5
125.02332	22.1
126.50686	0.5
139.11177	12.7
140.11472	0.6
151.07494	1.0
155.03394	3.4
161.04500	0.8
167.06984	0.6
171.83055	0.5
173.04471	7.3
176.03966	0.8
177.05418	0.9
177.09119	0.8
183.10178	100.0
184.10518	5.9
191.05498	1.0
195.06551	1.9
357.11826	1.9
357.15616	12.2
358.15915	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	0.6
59.01250	100.0
60.01589	1.0
61.34626	0.5
69.03315	0.9
71.01253	6.9
71.50712	0.5
73.02813	2.6
83.01276	1.2
83.04884	1.4
85.02825	3.5
91.23787	0.5
93.03342	0.8
95.01290	0.6
95.04927	0.5
97.02856	0.7
99.00780	0.8
101.02324	3.5
113.02357	1.7
119.04914	3.5
135.04462	1.3
147.56282	0.6
161.04509	2.6
171.10197	2.0
173.04523	0.8
199.00629	1.5
201.11354	0.6
209.11830	1.0
215.00220	0.9
221.11900	0.6
239.12810	0.7
273.61237	0.5
285.20865	1.2
315.18173	1.3
357.06451	0.8
357.13727	0.8
357.19022	1.7
357.22934	4.0
358.22745	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	357.1343
Annotation	Saururin A
Peak:m/z	Relative Intensity
54.25230	0.7
55.01754	4.5
57.03324	0.8
59.01234	2.6
70.27835	3.4
71.01237	2.0
81.03337	1.2
83.01257	100.0
83.04893	1.2
84.01572	1.2
84.02037	1.6
85.02826	0.9
87.04401	0.9
87.61788	0.7
88.03876	1.1
93.03322	1.8
95.04912	1.8
97.06448	2.1
97.71664	0.7
98.20480	1.0
109.02818	1.2
114.59888	0.8
115.00272	1.6
119.04921	4.9
121.02839	12.6
122.03629	21.5
123.04459	6.3
124.01530	1.0
125.02317	1.1
125.09625	0.9
135.04411	2.6
136.05159	5.0
137.02348	1.6
137.05988	14.0
146.03679	0.8
147.04416	7.5
151.03886	1.2
154.02638	1.2
161.05975	3.7
162.06738	2.1
168.04181	1.6
171.10184	2.4
174.27881	0.9
181.06146	0.9
193.12212	2.0
199.00613	2.0
205.04927	0.9
206.05693	1.0
209.08160	4.5
209.11823	1.2
211.13394	1.0
215.00180	0.9
221.08162	9.0
225.14900	3.2
241.15553	2.1
243.16068	2.0
251.16164	1.0
269.17578	2.0
275.95493	0.8
281.17389	0.9
298.12198	1.6
313.14432	1.9
321.20578	1.2
342.10992	7.4
343.11496	1.1
357.13412	90.8
357.22748	23.5
358.13739	11.4
358.23117	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	357.065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91019	0.3
62.16913	0.3
66.36800	0.3
70.46500	0.3
75.09420	0.3
76.94901	0.3
79.95606	7.0
79.96037	0.6
80.96356	0.5
92.60882	0.3
93.03356	0.5
96.95905	0.5
107.04910	1.0
111.12828	0.3
119.04921	100.0
120.05267	4.0
135.04420	13.9
136.04742	0.5
145.36505	0.3
163.03935	7.0
181.05014	1.3
189.61945	0.3
199.00656	40.3
200.01003	1.7
215.00159	22.9
216.00475	1.1
229.13573	0.4
242.99721	3.4
299.64508	0.3
313.37692	0.4
318.28143	0.3
339.85065	0.3
357.06494	21.2
357.22855	0.3
358.06818	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	357.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03825	0.4
58.00465	0.2
59.01249	6.8
66.69733	0.2
67.01750	0.3
68.99683	0.6
69.03328	9.3
69.36709	0.2
69.57442	0.8
69.57850	0.4
71.01255	4.9
72.99174	0.8
75.00729	0.4
81.03332	51.4
82.03661	1.2
85.02843	1.3
87.00750	2.6
89.02316	4.0
93.03339	0.7
95.01263	0.5
95.04900	1.6
97.02835	0.3
98.20480	0.4
101.02334	2.2
105.03340	0.3
105.06975	0.3
108.02060	0.2
109.06435	0.2
112.97991	0.2
113.02344	2.9
119.03378	1.6
119.04861	0.2
121.02842	1.2
123.04402	0.8
123.08041	1.4
125.02339	100.0
126.02663	2.7
133.06514	0.4
135.04428	0.5
139.11185	0.2
143.03383	0.5
147.08031	0.6
149.01253	0.2
149.02359	3.6
151.07553	5.5
161.04518	0.2
163.07523	0.3
165.02237	0.2
165.09132	0.7
167.03403	1.4
167.07045	2.3
169.31444	0.2
173.04504	0.4
175.07483	0.4
176.03896	0.3
177.05496	2.9
183.10248	1.4
185.25668	0.2
191.05537	0.3
191.07091	0.7
193.08606	0.5
195.06563	7.4
196.07050	0.3
205.08557	0.2
217.14854	0.2
221.08441	0.3
237.07637	0.8
241.12968	0.2
249.69986	0.2
357.11929	10.0
358.12283	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2276
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
50.47801	1.6
56.39092	1.7
57.95717	1.4
59.01242	3.9
61.06450	1.3
63.07040	1.7
71.41877	1.4
85.02831	2.5
109.02817	4.0
122.03616	13.3
127.07504	2.6
135.04420	29.7
136.01569	2.3
136.04767	2.0
147.08020	3.0
149.09615	6.1
151.07526	3.9
152.52090	1.5
154.02579	2.7
155.75868	1.3
161.09618	9.8
163.07544	5.2
163.09822	2.8
163.11195	57.5
164.08325	15.3
164.11485	5.0
165.09138	11.8
177.07864	1.8
177.09123	80.7
178.09885	25.1
179.10696	81.4
180.11052	4.0
183.10152	3.3
184.51761	1.5
191.10716	12.3
193.08638	9.4
227.40602	1.4
265.12402	1.7
280.14642	2.9
298.15735	59.8
299.16058	6.9
309.22147	1.6
337.21735	56.6
338.22018	5.2
340.20410	92.1
341.20810	11.0
355.22784	100.0
356.23071	18.9
363.95389	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	356.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
58.93300	5.9
59.01236	13.1
61.98707	100.0
64.17264	7.4
70.41877	7.9
70.42229	20.4
79.65765	6.1
94.53294	5.6
110.45121	6.2
121.02814	23.5
161.02631	6.7
184.83473	7.0
315.46329	6.1
357.06491	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	357.0614
Annotation	3,8-Dimethoxy-5,7-dihydroxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
59.01255	0.7
59.99423	0.2
63.68800	0.2
67.20994	0.2
69.07259	0.2
69.92338	1.1
77.63534	0.2
87.43961	0.2
90.63756	0.2
92.33334	0.2
93.03330	0.5
98.20582	0.2
119.04929	0.4
121.02843	100.0
122.03168	4.0
123.62569	0.2
125.02367	0.3
132.66518	0.2
135.04416	0.4
136.07513	0.2
165.01791	1.0
180.05722	1.9
181.06505	6.7
182.06870	0.6
182.74117	0.2
197.05971	0.2
223.82184	0.2
225.05505	6.5
226.05815	0.5
269.08246	0.3
313.07162	8.7
314.07532	1.0
357.06146	28.6
357.22833	0.4
358.06454	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	355.1948
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	2.2
59.01255	8.2
69.03339	2.5
71.01260	1.5
71.50388	2.2
80.02538	2.3
81.03329	4.5
83.04894	2.4
89.02302	1.2
95.04895	2.4
97.02829	1.9
97.06506	1.9
101.02264	1.3
109.06490	2.8
120.24061	1.2
121.06454	1.3
122.08945	1.2
123.04420	4.1
125.09614	5.6
135.08066	1.8
137.09619	3.9
141.12732	3.3
149.05988	1.6
149.09586	1.8
161.09564	1.4
163.11200	9.2
174.27518	1.5
177.12923	1.4
183.01135	6.7
185.11812	10.3
191.14304	11.5
192.00549	2.6
193.01176	1.8
197.11812	1.4
207.10208	4.9
217.15996	2.2
225.11336	6.8
245.19064	31.6
246.19421	1.6
271.16885	2.4
289.18091	100.0
290.18414	9.3
291.19635	1.5
295.10193	1.4
307.19135	63.1
308.19318	6.9
309.20691	2.1
355.06787	3.5
355.19537	20.1
355.29083	1.7
355.67499	1.6
356.19745	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	353.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75039	0.2
51.74304	0.3
57.03321	0.4
59.01250	4.2
67.04674	0.3
69.03333	0.4
69.18390	1.4
69.18822	1.5
71.01253	3.6
71.04888	1.1
78.03961	0.3
79.95604	20.0
80.96413	1.9
81.03321	0.4
83.04884	1.0
85.02816	3.0
87.00728	0.6
93.03337	1.5
95.95124	0.4
96.95886	100.0
97.02821	0.4
97.95818	0.3
98.20573	0.6
99.08028	2.0
101.05947	0.3
107.04898	0.3
109.06457	0.9
110.67434	0.3
111.04406	0.8
111.08044	3.1
113.02319	0.3
115.00256	0.3
124.16397	0.3
127.03868	0.4
129.09096	1.6
133.02818	0.5
134.03638	0.8
135.04410	9.9
135.33926	0.3
136.07579	0.6
137.05937	0.4
139.11160	0.9
141.09108	0.4
155.03391	0.4
155.07042	6.1
156.40950	0.3
161.02333	1.0
165.12758	0.3
173.04482	1.7
173.08098	0.8
176.03949	0.5
178.08665	0.4
179.03419	8.4
180.03734	0.3
191.05534	29.4
192.05861	1.4
201.14900	0.7
237.14923	1.7
255.15965	1.5
255.18352	0.3
273.17059	10.2
274.17346	0.7
309.08789	0.5
353.12729	79.6
354.13068	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	353.212
Annotation	Guayulin B
Peak:m/z	Relative Intensity
52.59617	0.2
56.46534	0.2
79.95623	0.3
96.95876	2.2
147.08023	0.5
163.11188	94.5
164.11534	5.6
170.39067	0.3
176.84073	0.2
177.09117	72.6
178.09464	4.1
182.47218	0.2
191.05510	0.4
222.08908	0.7
227.77852	0.3
229.33090	0.3
295.13223	0.3
335.40341	0.2
338.18866	0.3
353.21176	100.0
354.21545	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	353.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	10.7
59.01245	17.0
62.02275	2.3
65.35616	2.1
69.38525	19.7
77.87120	2.8
79.95600	2.9
81.65627	2.4
83.04896	2.5
85.02811	5.4
85.40392	2.3
93.03351	5.5
96.95887	26.3
97.06423	6.1
107.08554	3.7
109.06486	6.8
121.06473	3.9
123.07960	3.2
125.09599	16.6
135.04411	3.7
137.02345	4.2
137.05914	3.3
151.11229	20.6
162.05643	2.2
163.07593	4.9
163.11165	16.1
175.11229	2.4
177.12663	4.1
179.10689	8.0
191.05554	54.2
191.14352	26.5
192.05864	4.1
205.12201	5.7
217.15944	2.8
234.89993	2.4
245.19063	38.8
261.18716	3.4
271.17072	6.6
289.18091	78.0
290.18381	9.3
293.21280	3.0
306.18262	3.1
321.20685	100.0
322.21292	11.9
353.19812	22.1
353.23337	73.0
354.23764	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	347.1711
Annotation	Kankanoside E
Peak:m/z	Relative Intensity
54.11577	0.6
55.01757	4.5
57.03316	2.3
58.00454	1.7
59.01256	24.2
63.61325	0.6
69.03318	0.9
69.18084	6.5
71.01256	25.3
72.99180	1.7
73.02822	10.7
75.00758	1.0
79.36578	0.5
83.01261	6.8
85.02825	15.0
85.99955	1.8
87.00737	1.6
89.02329	4.0
89.32320	0.5
93.03322	0.8
95.01258	2.3
99.00762	3.9
101.02329	24.1
111.00726	1.2
113.02338	8.3
129.01813	0.9
139.58162	0.5
143.03462	0.7
159.02895	1.1
161.04478	3.2
174.05649	0.5
179.03532	0.6
185.11746	3.9
191.05653	0.6
197.49641	0.5
225.68286	0.5
237.54514	0.6
303.18137	1.1
324.50555	0.6
347.17114	100.0
348.17453	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	348.036
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24932	17.0
59.01239	67.6
60.65765	19.3
61.08962	18.4
61.98695	18.2
69.89529	88.3
71.01237	29.2
92.59632	20.6
93.03324	43.6
101.02341	20.5
118.47057	20.4
133.02872	60.0
135.04376	64.3
137.09760	17.4
139.00304	23.8
149.42046	17.9
154.99751	34.3
161.02354	66.0
173.04491	45.3
177.01732	19.9
179.03452	49.2
191.05551	100.0
217.59288	18.1
285.03964	79.8
338.41049	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	353.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22633	0.4
54.45256	0.3
55.01756	1.6
57.03303	0.8
59.01254	3.5
63.69390	0.4
65.03818	0.4
65.23071	0.4
67.01767	0.8
68.99696	0.4
69.03333	1.8
69.16991	4.3
71.01257	2.2
73.02843	0.6
80.02550	0.5
81.03329	2.0
83.01263	1.4
83.04899	1.2
85.02828	8.3
87.00752	6.4
93.03340	5.6
93.69724	0.4
95.01275	1.4
95.04910	1.3
97.02840	3.6
97.06487	0.5
98.19858	0.9
99.00771	3.1
99.04410	0.5
107.01295	0.4
107.04922	0.7
108.02060	1.7
109.02859	3.4
111.00782	7.8
111.04409	2.2
113.02373	0.7
115.00246	0.7
121.02824	0.9
121.06478	0.9
122.03612	0.6
123.00765	0.8
123.04416	0.6
123.08048	1.2
125.02357	2.2
125.09634	1.7
127.00243	1.6
127.03937	2.0
129.01849	1.0
133.02832	1.7
134.03664	1.8
135.04424	22.6
136.01569	0.9
136.04791	1.2
137.02357	2.3
139.00249	0.5
139.03954	0.5
148.01465	0.4
149.02342	1.0
150.03133	1.7
151.03899	0.7
152.99495	0.9
153.01865	0.9
155.03386	0.8
157.36292	0.4
161.02333	3.9
161.09607	0.6
163.00258	1.6
163.11191	0.4
164.01064	0.4
165.12772	0.5
173.04485	5.5
175.11133	0.8
176.03918	0.7
177.12799	0.4
178.02618	1.6
178.49933	0.4
179.03433	18.1
179.10689	1.2
180.03778	0.9
181.12320	0.6
185.11661	0.6
191.05550	100.0
192.05904	4.0
203.10770	0.6
207.10126	0.7
209.11774	0.7
219.10150	1.6
221.11787	0.9
223.09741	5.3
223.13316	0.9
231.10278	0.9
236.10475	1.8
237.11273	3.2
245.11858	0.4
261.11139	0.6
264.10056	1.4
265.10764	1.4
266.12039	0.7
279.12360	1.4
292.09570	1.1
295.11877	0.5
307.11871	0.8
309.15027	0.9
323.11380	8.1
324.11697	1.1
335.11368	20.3
336.08151	0.4
336.11652	2.4
353.04272	0.6
353.08731	3.8
353.13263	5.9
353.23273	0.6
354.08908	0.5
354.13217	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.0113
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	12.3
61.98703	100.0
66.91908	2.0
69.96607	7.4
72.60654	1.9
73.44143	1.9
83.18182	1.6
90.53160	1.7
90.55213	1.7
97.20491	1.7
100.66372	1.8
162.92743	1.8
202.02678	5.0
203.02280	6.8
203.99939	69.3
205.00105	5.2
218.71410	1.7
218.91040	1.7
311.45837	1.8
312.83698	1.9
347.49301	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	347.1711
Annotation	Kankanoside E
Peak:m/z	Relative Intensity
54.00410	0.5
55.01765	3.5
56.60765	0.5
57.03314	1.8
58.00462	1.3
59.01255	22.6
59.18777	0.5
71.01259	22.0
72.01591	0.5
72.99176	1.8
73.02824	10.6
75.00747	0.8
83.01265	7.8
85.02824	14.0
85.99980	2.1
87.00756	2.1
89.02308	2.9
95.01263	2.2
97.02860	0.9
98.20543	1.4
99.00772	3.4
101.02328	29.3
111.00807	0.7
113.02337	7.6
125.02375	0.7
129.01871	0.7
135.04442	1.0
143.03413	0.9
148.81836	0.7
151.39702	0.6
159.02936	1.4
161.04469	2.6
167.10664	0.7
176.03931	1.6
179.03459	1.0
185.11819	3.5
191.05545	1.3
303.18179	1.1
315.69226	0.6
347.17114	100.0
348.17480	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	347.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	1.7
57.03321	1.7
58.00464	1.2
59.01255	41.8
69.24812	1.5
69.25203	7.5
71.01258	32.7
72.99192	2.9
73.02827	7.7
75.00753	1.1
80.88258	0.8
83.01266	4.7
85.02827	11.9
85.99993	0.9
87.00752	1.4
89.02315	16.8
93.03337	1.4
95.01286	2.2
98.19834	1.6
99.00766	3.1
101.02328	22.5
108.43423	0.8
111.00776	1.8
111.75323	0.8
113.02326	11.3
119.03397	6.6
125.02320	0.9
129.01837	0.8
133.02864	1.1
135.04436	3.6
139.00232	1.0
155.10661	1.8
159.64792	0.7
159.73528	0.7
161.02359	1.7
161.04480	2.6
167.10719	10.6
169.12279	1.0
173.04486	1.0
176.03972	3.9
179.03403	2.3
185.11818	4.2
186.12190	0.9
191.05487	3.5
242.16946	0.8
253.99248	0.8
303.18152	1.6
347.17114	100.0
348.17514	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	345.1678
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	28.4
60.46657	0.6
66.82564	0.7
67.44836	0.6
70.99364	1.0
70.99689	0.8
71.01262	1.2
76.78226	0.6
78.95774	0.7
93.03327	1.7
95.04909	0.7
106.04108	0.8
107.04933	1.1
123.04401	1.3
135.08107	0.7
147.08067	0.7
148.08839	2.5
149.09608	1.0
151.11166	1.4
163.11206	4.9
165.12762	26.2
166.13058	0.8
168.27023	0.6
189.12756	2.2
191.14362	11.6
212.86800	0.7
216.07614	3.0
217.15967	0.9
219.17480	7.4
245.15421	3.5
263.16501	100.0
264.16821	8.3
267.13916	0.7
285.14798	6.8
327.15826	1.9
345.12979	1.1
345.16870	13.4
345.25507	2.0
346.17197	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	0.9
57.03314	1.1
58.00469	1.9
59.01248	52.2
60.01571	0.8
60.99178	0.9
69.03310	2.5
69.23315	4.9
69.23739	2.3
71.01252	30.1
72.99178	2.0
73.02827	1.4
75.75526	0.6
79.95605	0.8
83.01248	1.9
85.02821	6.3
87.00771	1.0
89.01762	1.3
89.02311	22.3
94.83519	0.6
95.01260	2.6
99.00741	0.7
101.02316	18.7
102.98424	0.7
113.02327	10.0
119.03387	10.8
119.04881	7.1
121.10215	0.8
135.04408	1.0
139.11197	4.3
143.03375	0.9
165.09128	2.5
183.10181	48.8
184.10539	2.0
184.24292	0.6
184.60071	0.7
191.05557	0.9
199.00650	2.2
228.04237	0.9
243.27704	0.7
256.03680	1.1
315.08661	0.8
330.11136	1.8
345.06555	2.1
345.15546	100.0
346.15952	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	345.1553
Annotation	(2E,6Z)-8-beta-D-glucopyranosyloxy-2,6-dimethyl-2,6-octadienoic acid
Peak:m/z	Relative Intensity
55.01746	3.5
56.64351	0.7
57.03317	4.1
58.00459	3.1
59.01248	56.8
69.03322	2.2
70.79996	2.2
71.01249	60.3
72.01557	1.0
72.99166	5.1
73.02821	13.0
83.01254	8.1
85.02820	23.6
85.99982	0.9
87.00741	3.2
89.02316	30.0
95.01264	4.3
97.02840	1.6
99.00757	5.4
101.02317	40.6
113.02325	19.9
119.03388	17.7
121.02847	2.1
121.10096	3.5
122.03600	1.0
131.03423	1.0
134.03627	2.6
135.04378	1.9
137.06126	0.8
139.11130	1.1
143.03389	2.3
146.03601	2.4
149.04437	1.4
149.05978	3.0
159.02866	1.7
161.04482	9.4
161.05849	1.6
162.03156	1.1
164.04677	1.8
165.05461	2.5
165.09079	2.7
166.06256	2.3
167.07050	8.3
177.05467	1.4
179.05612	1.4
179.07031	4.6
183.06563	2.1
183.10168	5.6
256.18762	0.8
257.12781	3.9
278.42764	0.8
301.16492	1.9
315.12207	1.0
345.15521	100.0
346.15869	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	345.1554
Annotation	(-)-Nepetaside
Peak:m/z	Relative Intensity
54.64589	0.5
55.01756	0.7
57.03297	0.6
58.00468	1.5
59.01249	43.3
60.99192	0.8
62.73097	0.5
68.99695	0.6
69.03340	1.7
69.05286	0.5
69.28697	4.9
71.01251	24.9
72.99184	1.4
73.02815	1.6
83.01246	1.8
85.02822	6.2
87.00772	1.0
89.01761	1.0
89.02316	21.0
93.38841	0.5
95.01265	2.7
95.08965	0.5
99.00770	0.7
101.02323	16.8
102.02681	0.7
109.34452	0.5
113.02318	9.0
119.03385	9.4
119.04900	1.5
121.10058	0.6
131.03421	0.6
135.04404	1.3
139.11180	3.6
161.02327	1.4
161.04434	0.7
165.09143	2.4
173.04433	1.0
183.10182	43.3
184.10574	2.0
191.05609	1.0
256.03793	0.8
258.27930	0.6
260.97891	0.8
315.08548	0.6
330.11118	1.2
345.15567	100.0
346.15921	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	345.1552
Annotation	(2E,6Z)-8-beta-D-glucopyranosyloxy-2,6-dimethyl-2,6-octadienoic acid
Peak:m/z	Relative Intensity
55.01757	5.7
57.03316	2.7
58.00462	4.1
59.01250	99.6
69.03320	1.0
71.01253	100.0
72.01606	1.5
72.99173	5.5
73.02817	14.0
75.00781	1.1
83.01247	7.3
85.02820	31.7
87.00733	4.4
89.02316	52.1
95.01247	7.1
97.02836	2.5
99.00765	9.6
101.02325	62.4
113.02328	35.4
114.02625	1.1
119.03389	22.3
121.10111	23.7
125.02335	1.2
131.03419	1.6
137.04292	1.1
142.32997	1.0
143.03426	2.9
149.04454	1.8
159.02905	4.7
161.04471	20.5
165.09117	7.9
167.10750	1.9
179.05510	2.7
183.08548	1.1
183.10179	2.6
211.00345	1.0
229.12013	0.9
301.16690	2.0
345.15546	76.2
346.15982	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	345.1553
Annotation	(2E,6Z)-8-beta-D-glucopyranosyloxy-2,6-dimethyl-2,6-octadienoic acid
Peak:m/z	Relative Intensity
54.71769	1.2
57.03310	1.9
58.00468	2.2
59.01249	62.2
67.51672	1.0
71.01254	39.2
71.01847	1.6
72.99179	2.4
73.02822	3.4
74.74844	1.2
83.01273	3.4
85.02817	8.8
87.00740	1.6
89.02317	28.8
92.28923	1.3
92.40472	1.3
95.01258	2.8
98.19804	3.5
99.00743	1.9
101.02319	25.5
113.02321	15.3
119.03391	13.3
121.10163	3.2
132.54454	1.4
148.22215	1.3
161.04465	1.8
165.09087	10.5
178.26421	1.3
180.59053	1.2
183.10231	2.0
243.12392	1.8
260.02438	1.2
267.06555	1.6
290.22293	1.2
297.11340	2.1
309.18994	1.3
345.15561	100.0
346.15881	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	345.1554
Annotation	(2E,6Z)-8-beta-D-glucopyranosyloxy-2,6-dimethyl-2,6-octadienoic acid
Peak:m/z	Relative Intensity
55.01745	1.6
57.03304	1.2
58.00455	2.5
59.01251	59.3
69.29129	1.0
69.29449	8.5
71.01254	35.4
72.99187	3.9
73.02795	2.7
81.32780	0.7
83.01250	2.9
85.02827	8.1
87.00734	1.3
88.69115	0.8
89.02322	26.2
95.01254	3.5
98.19804	1.6
101.02323	22.7
113.02329	10.8
119.03387	11.2
121.10146	2.7
133.29445	0.9
161.04504	0.8
165.09108	10.8
166.09387	1.0
175.16536	0.9
179.05498	1.1
182.67375	1.0
183.10236	1.8
183.89224	0.8
191.05597	1.1
199.09293	1.0
229.65282	0.8
297.11224	0.9
314.07501	0.8
345.15540	100.0
346.15854	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	345.1553
Annotation	(2E,6Z)-8-beta-D-glucopyranosyloxy-2,6-dimethyl-2,6-octadienoic acid
Peak:m/z	Relative Intensity
55.01752	5.2
57.03327	3.6
58.00465	2.4
59.01250	58.7
60.01575	0.7
69.03284	0.6
71.01250	63.4
71.37413	0.9
72.01585	0.9
72.99178	4.7
73.02816	15.6
75.00748	1.3
76.43838	0.6
78.79279	0.5
81.01768	0.6
83.01256	10.8
83.04837	0.6
85.02820	24.7
85.99966	1.3
86.26593	0.6
87.00756	2.5
89.02316	27.5
95.01269	5.2
97.02826	1.3
99.00749	7.0
101.02320	51.1
102.02649	1.3
108.04425	0.8
111.00779	0.9
113.01531	1.4
113.02326	24.6
114.02684	0.8
119.03385	15.2
121.10116	7.6
125.02296	0.8
129.01810	1.0
131.03371	1.2
139.11169	0.9
143.03403	2.2
148.42607	0.6
159.02895	3.5
161.04442	8.7
165.09119	4.0
176.03751	1.0
179.05647	1.4
183.10265	1.9
191.05481	1.0
205.03474	0.7
301.16708	1.8
345.15518	100.0
346.15829	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	345.0649
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52920	0.2
59.01257	1.8
71.01241	1.0
72.99152	0.3
79.95132	0.4
79.95599	6.7
80.96372	0.3
85.02795	0.4
89.02301	0.9
93.02142	0.2
93.03332	0.5
94.01033	0.2
98.20546	0.7
101.02339	0.8
103.07565	0.2
107.04906	0.8
113.02308	0.6
115.46169	0.4
119.04912	100.0
120.05231	3.9
121.10112	0.8
135.04407	12.3
136.04759	0.4
139.30040	0.3
154.31314	0.3
163.03900	6.4
165.09126	2.1
166.86365	0.3
183.10124	1.4
188.80548	0.3
199.00629	36.5
200.00983	1.9
215.00133	18.8
215.03180	0.4
216.00459	0.8
242.99625	3.3
261.16736	0.3
345.06470	22.6
345.15457	2.7
345.22372	0.3
346.06870	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0651
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	0.3
64.46320	0.2
71.39086	0.6
72.86662	0.2
79.95605	6.3
80.96410	0.6
88.42834	0.3
93.03339	0.6
101.05948	0.4
107.04919	0.7
117.80524	0.2
119.04919	100.0
120.05255	3.5
135.04419	12.6
136.04787	0.5
163.03918	6.2
164.04274	0.4
176.03973	0.4
199.00647	34.9
200.00987	1.2
208.18413	0.2
215.00153	17.3
216.00476	0.8
242.99673	3.2
273.63452	0.3
339.08099	0.2
345.06473	20.9
346.06860	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	343.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01963	0.3
52.82056	0.4
53.46373	0.3
57.03315	0.5
57.89120	0.3
59.01249	2.5
63.87627	0.4
67.33087	0.4
68.42908	0.4
69.28062	1.4
69.28477	2.2
69.92616	0.3
71.01253	0.6
75.33841	0.4
98.20545	0.9
99.07983	0.4
113.09602	0.5
121.02824	0.6
121.10116	10.3
122.10386	0.4
125.09596	0.8
127.11170	1.6
137.09627	2.2
139.11209	1.8
140.82062	0.3
148.97079	0.4
165.09114	1.0
171.10181	64.4
172.10558	2.3
211.13383	0.8
277.35065	0.4
293.21246	1.3
294.21634	0.4
313.03406	0.7
343.24872	100.0
344.25195	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	343.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	0.7
58.58279	0.3
59.01249	3.4
62.25958	0.4
69.03329	2.4
70.46755	0.7
70.47085	0.7
71.01266	0.9
71.04881	0.5
72.62503	0.4
83.04898	1.8
85.02776	0.6
89.02304	0.4
97.06440	1.6
98.78692	0.4
99.08027	10.4
101.02296	0.9
114.67820	0.4
115.07523	1.1
121.02824	1.2
125.09586	2.2
127.07625	0.4
127.11132	0.4
129.09131	2.1
137.09612	1.5
139.11177	0.5
141.09091	1.8
149.13298	1.0
151.11139	2.2
155.10640	0.4
163.11089	0.5
165.12746	1.7
167.10733	0.7
169.12303	0.4
171.10182	10.8
172.10542	0.5
173.56929	0.4
175.11157	0.8
181.08563	0.6
185.11711	1.0
193.12270	18.7
194.12607	1.0
197.15370	1.1
199.13322	0.7
211.13329	3.5
221.15364	0.6
225.14900	22.5
226.15213	1.7
227.12848	1.2
232.06343	0.5
243.15994	7.5
244.16377	0.5
293.21207	1.8
307.19116	0.6
311.22235	1.9
313.03616	0.9
325.20218	0.8
325.23831	1.5
343.08133	1.0
343.24866	100.0
344.15109	0.4
344.25201	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	343.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01024	1.0
56.71002	0.9
57.03318	1.4
57.92375	1.0
58.61927	0.9
59.01254	8.9
59.39903	1.0
60.79913	0.8
66.03174	0.8
69.61430	0.7
69.61748	6.4
71.01242	3.5
71.04885	1.0
80.02534	2.7
81.03336	2.9
83.04897	11.3
83.37275	1.0
84.02032	3.7
85.02858	1.0
87.12776	0.9
89.02298	2.0
93.03312	1.3
95.04894	2.9
97.02805	1.4
109.06418	1.2
120.82655	0.9
121.02828	3.8
123.08029	0.9
125.05984	1.3
125.09621	1.9
127.07551	1.6
135.07991	2.5
147.11668	1.5
163.11159	9.2
165.12755	5.7
171.10143	3.3
181.12299	1.1
185.11726	2.5
191.10715	1.9
197.11693	2.8
199.51176	0.9
209.11766	100.0
210.12117	6.0
211.13319	2.2
225.11169	1.5
278.18408	0.9
281.20926	1.2
285.03754	1.1
313.03506	2.8
325.20041	2.6
343.08197	3.2
343.15167	2.7
343.21225	15.3
344.21399	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	343.2488
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
51.14768	0.4
57.03310	0.7
59.01245	1.6
69.03318	1.2
71.00235	1.1
79.73738	0.4
83.04880	1.1
97.06477	1.0
99.08031	6.9
113.10865	0.4
121.10102	2.4
125.09622	1.5
127.11241	0.5
137.09621	1.3
139.11169	0.6
149.13275	0.6
153.09027	0.5
165.12814	0.8
171.10170	20.3
172.10558	0.9
175.11148	1.0
193.12265	10.6
194.12573	0.9
197.15236	0.5
199.13538	0.5
211.13342	2.0
225.14899	17.6
226.15273	1.3
243.15997	5.5
289.94949	0.4
293.21243	2.8
311.22253	0.7
318.36789	0.4
325.23813	0.7
343.24872	100.0
344.25211	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	343.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	0.5
59.01249	2.4
69.03324	1.4
69.19437	2.9
69.19845	0.6
71.01244	0.6
75.05011	0.4
75.36095	0.3
80.02566	0.4
83.04901	1.3
90.99686	0.3
97.06457	1.0
99.08037	7.9
106.04179	0.3
112.23655	0.3
113.09616	0.3
114.55123	0.3
121.02845	0.5
121.10123	2.6
125.09571	1.7
127.11162	0.7
131.17380	0.3
135.08206	0.4
137.09607	1.1
139.11195	0.8
149.13248	0.7
151.11176	0.5
153.37285	0.3
165.12715	0.9
171.10179	16.9
172.10449	0.8
175.11131	0.9
183.13811	0.4
185.11617	0.3
193.12263	14.8
194.12599	0.8
197.15312	0.6
211.13362	3.1
212.13664	0.3
225.14902	20.4
226.15291	1.3
243.15970	6.6
244.16466	0.3
249.79576	0.3
262.49576	0.3
275.19974	0.4
289.17999	0.6
293.21301	2.5
311.22467	0.6
313.03439	0.4
325.23828	0.7
330.26804	0.3
343.08246	0.9
343.24872	100.0
344.25214	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	343.2123
Annotation	Gallicynoic acid F
Peak:m/z	Relative Intensity
57.03314	2.3
58.89182	0.7
59.01249	9.1
69.03316	2.0
71.01254	2.8
71.04882	1.4
72.29589	0.8
73.02817	2.5
73.24097	0.7
81.03316	1.3
83.04887	4.2
84.02025	1.6
85.02811	2.9
85.06466	1.7
87.04395	1.1
89.02309	1.2
90.16331	0.7
95.04897	5.0
97.02846	0.8
97.06457	2.9
99.04410	0.9
101.02299	1.4
105.23960	0.7
107.04893	1.2
109.06467	0.9
111.04395	1.2
111.08028	1.1
113.02327	1.0
113.05933	1.8
121.02831	2.5
123.08025	2.3
125.09608	2.9
127.11169	2.3
129.09116	1.6
135.08058	1.9
137.09599	0.7
141.09137	1.3
143.07042	0.9
153.09100	1.8
155.10634	1.6
156.06267	0.7
160.01601	1.3
163.11232	1.0
165.12776	1.0
165.19090	0.8
166.06259	0.8
167.10745	0.8
167.14375	1.0
171.10182	16.3
172.10526	1.1
174.03162	1.8
177.12787	1.1
183.13826	2.1
185.11766	5.6
187.09740	1.4
197.11765	1.2
201.11259	11.9
203.55162	0.7
209.11783	7.9
211.13327	11.3
212.13663	1.3
213.11264	0.8
215.12830	1.8
221.11803	2.6
227.12811	2.1
229.14397	12.7
230.14720	0.8
237.14864	4.1
239.12874	6.0
249.14879	3.3
267.16000	1.5
289.18112	1.6
299.16437	1.2
301.20135	4.2
307.19119	5.0
313.03519	2.0
325.14328	1.5
325.20139	7.6
328.05682	1.0
343.08249	1.5
343.15585	5.6
343.21219	100.0
344.15308	1.3
344.21564	9.0
358.48618	0.7
368.76816	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2124
Annotation	Gallicynoic acid F
Peak:m/z	Relative Intensity
50.87695	0.6
52.31525	0.7
54.03560	0.7
56.89171	0.8
57.03317	2.6
58.52193	0.6
59.01245	6.1
69.03313	1.7
70.80729	2.1
71.01251	2.6
71.04914	1.6
73.02812	0.8
73.60275	0.7
81.03327	0.8
83.04894	3.6
84.02044	2.3
85.02813	3.9
85.06443	1.2
87.04391	3.4
89.02328	1.0
93.03318	1.6
95.04893	5.6
97.06460	2.9
98.60656	0.7
100.65392	0.6
101.02309	0.9
109.06460	0.9
112.59908	0.6
113.05959	1.9
120.95903	0.6
121.02847	2.0
123.04444	0.8
123.08050	1.3
125.09609	1.9
127.11177	2.0
135.08087	1.1
135.55334	0.6
137.09642	0.9
141.09146	0.8
155.14304	0.7
163.11182	1.3
167.14297	0.9
171.10176	15.5
173.02344	0.9
174.03133	11.7
175.03535	0.9
177.12740	0.8
181.08768	0.8
181.12238	2.0
183.13812	2.2
185.11859	1.6
193.12296	1.3
197.11749	1.2
199.03949	2.1
199.09695	1.0
199.13260	3.3
200.04858	1.2
201.11249	3.6
209.11775	6.8
211.13348	12.6
221.11816	1.1
223.13280	0.7
229.12328	0.5
229.14388	12.5
230.14865	1.2
237.14941	11.5
239.12775	0.9
245.19093	0.7
249.14931	2.0
255.15977	0.8
267.16037	1.6
284.03329	1.7
285.16772	1.3
289.18027	1.5
307.19177	1.0
313.03537	1.3
325.14462	2.2
325.20197	7.3
328.05887	1.0
343.11942	2.1
343.15518	9.5
343.21225	100.0
344.15698	1.9
344.21545	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	343.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	20.0
59.01235	17.7
67.01743	4.0
68.99677	5.4
69.03309	15.3
69.24342	41.1
71.01245	31.1
72.99162	16.2
75.00740	9.3
81.03308	7.2
83.01270	7.6
85.02818	17.5
87.00739	13.1
89.02282	5.1
89.27511	3.7
91.05421	5.4
93.03326	16.7
95.01292	5.4
95.04900	15.4
97.02814	20.4
99.00765	22.0
101.02274	3.5
107.04895	12.3
108.02018	7.9
109.02836	7.6
109.06474	8.4
111.00734	5.6
113.02296	7.6
119.04894	33.2
121.02836	43.8
121.06497	9.5
122.03588	14.0
123.04408	25.2
127.89012	3.9
129.01828	100.0
130.02203	4.0
135.04405	15.2
137.05981	36.5
147.04417	28.8
149.02301	4.9
149.05919	9.8
151.03851	8.3
153.01845	7.2
159.02905	7.9
163.03923	6.3
165.05463	64.2
177.03925	16.8
177.05409	8.0
205.04944	8.4
223.05983	20.6
280.90744	3.9
325.09204	5.0
343.10440	24.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1035
Annotation	Teuhircoside
Peak:m/z	Relative Intensity
52.63524	0.2
54.55912	0.2
59.01250	11.5
70.35423	0.7
70.35787	0.3
71.01242	0.4
79.90282	0.2
81.03342	0.4
85.02790	0.2
88.36162	0.2
93.03333	0.6
93.07014	0.3
95.04905	0.5
107.04902	0.4
108.02087	0.2
109.02843	4.9
109.06485	2.5
119.04916	3.6
121.02848	5.1
122.03707	0.5
127.63412	0.2
135.04424	3.9
136.04694	0.2
137.05989	24.5
138.06308	1.2
151.03804	0.3
156.53784	0.2
161.46292	0.2
163.03845	0.2
179.03473	0.2
181.04993	100.0
182.03838	0.4
182.05339	4.6
191.05504	0.2
300.15689	0.2
313.69507	0.2
343.10382	10.8
344.10846	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27400	0.6
54.17846	0.6
59.01250	14.1
61.82383	0.7
71.01249	1.0
71.38368	0.9
77.78652	0.6
85.02803	0.8
93.03315	1.2
101.02308	0.9
101.95080	0.7
106.96331	0.6
109.02847	5.4
109.06475	2.9
112.31980	0.7
113.02326	0.8
115.40800	0.8
119.04944	3.6
121.02855	6.5
122.03518	0.9
129.01860	1.3
135.04396	5.4
137.05983	25.4
138.06328	0.9
165.05450	0.8
179.03407	1.2
181.04984	100.0
182.05328	3.8
182.07431	0.7
194.38089	0.8
343.10498	10.0
343.14243	1.4
353.58536	0.8
364.08282	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	3.8
69.03318	1.7
70.08919	3.3
71.01250	2.5
77.77480	0.7
78.21042	0.7
83.03165	0.7
83.04903	1.2
84.02041	7.3
89.02305	2.2
91.47914	0.7
91.64480	0.8
97.02850	3.0
97.06479	9.8
97.90449	0.7
98.20463	1.1
99.04398	1.8
113.02343	1.0
125.09602	1.9
134.37706	0.7
137.09587	1.3
165.12796	0.8
171.10188	22.3
172.10478	0.8
179.05533	1.3
180.67838	0.7
193.12279	12.9
194.12605	0.7
211.13330	2.6
225.14925	20.4
226.15263	1.6
226.53098	0.7
243.15990	8.2
253.14355	1.0
295.23639	0.7
341.23318	100.0
342.23651	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	341.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	0.9
59.00958	0.9
59.01246	14.1
63.66317	0.4
69.03313	2.4
69.22356	2.8
69.22776	1.9
71.00855	0.6
71.01247	9.9
72.99160	0.7
73.02811	0.9
81.03314	1.4
83.04877	2.8
84.02028	2.8
85.02822	1.6
87.00767	0.7
89.02310	11.4
95.01247	1.1
95.04887	1.5
97.02820	1.5
97.06458	13.1
98.19687	0.6
99.04379	1.6
101.02306	4.1
109.06526	0.6
113.02327	4.3
119.03377	3.9
125.09595	1.9
127.11171	0.6
131.03383	0.5
137.09613	2.1
139.07681	0.6
143.03410	1.4
149.13208	0.8
151.07455	0.6
151.11250	1.0
161.04422	1.7
162.38362	0.6
165.12711	1.1
169.08524	0.6
171.10168	13.5
175.11165	1.3
177.12753	0.7
179.05527	4.1
185.11789	1.3
193.12274	19.3
194.12666	1.1
211.13281	3.1
221.11653	1.2
225.14891	24.2
226.15179	1.5
243.15981	9.8
244.16434	0.5
253.14383	2.5
254.14838	0.8
271.60272	0.5
272.16263	0.9
287.16483	0.6
291.19534	1.7
323.18661	0.9
323.22205	1.2
341.10913	4.2
341.23291	100.0
342.10977	0.6
342.23669	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16762	0.3
55.83060	0.3
57.03314	0.7
59.01248	4.3
63.80809	0.3
65.85139	0.4
67.01728	0.3
69.03321	2.6
69.35130	2.5
71.01246	2.5
81.03333	0.5
83.04881	1.2
84.02044	2.9
85.02833	0.7
89.02295	2.1
95.04887	0.7
97.02808	0.9
97.06461	10.8
99.04391	0.7
101.02310	0.9
101.36935	0.3
111.08022	0.5
113.02313	0.8
115.03943	0.3
119.03361	1.2
119.08621	0.3
122.66952	0.3
123.48941	0.4
125.09588	1.0
133.07910	0.3
136.74684	0.3
137.09619	1.3
149.13170	0.5
151.11183	0.6
153.07437	0.3
161.04440	0.3
165.12708	0.7
171.08771	0.6
171.10181	9.5
172.65523	0.4
175.11150	0.9
177.12660	0.6
179.05510	1.0
183.13795	0.4
185.11809	0.6
193.12268	15.8
194.12552	1.0
197.15298	0.6
211.13364	3.2
221.11708	1.0
221.15341	0.4
225.14905	20.0
226.15154	1.7
230.53131	0.3
243.15961	9.9
244.16403	0.5
253.14386	1.0
291.19629	1.4
305.21097	0.5
323.22192	0.8
341.23288	100.0
342.23654	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	341.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	5.7
58.00468	8.0
59.01252	100.0
60.01586	2.4
69.03333	3.0
69.60740	6.1
71.01254	83.8
71.04902	2.0
72.02041	1.6
72.99200	7.6
73.02815	11.1
75.00748	2.8
81.03336	3.5
83.01254	2.9
83.04895	4.1
84.02034	5.4
85.02817	14.1
87.00731	6.0
89.02316	90.8
95.01257	5.8
95.04910	25.9
97.02803	1.4
97.06480	7.1
99.00774	3.1
99.08029	3.9
100.01526	6.5
101.01714	2.4
101.02328	35.3
107.04909	4.7
109.06469	6.0
111.08018	6.3
113.02328	26.0
113.05972	3.4
113.09592	17.7
114.55417	1.5
115.07535	13.1
119.03387	31.2
121.02867	9.6
123.07970	2.2
125.02290	2.2
125.05943	4.4
125.09618	5.1
127.07538	25.7
127.11135	2.5
128.07838	1.2
130.12767	1.4
131.03384	6.0
139.07552	10.4
139.11241	1.6
140.07767	1.6
141.09111	5.5
143.03415	8.7
143.07033	6.1
149.02357	3.2
149.04440	5.0
149.09616	1.8
151.07555	4.2
151.11191	15.5
154.06204	1.6
155.10672	3.0
161.04488	10.3
163.11195	5.1
167.10652	5.1
169.08626	30.9
169.12254	5.4
171.10181	87.7
172.10550	3.9
177.12784	3.4
179.05550	33.9
179.06972	1.1
179.10742	1.8
181.12181	4.3
185.11775	16.9
189.09099	2.4
195.13930	2.9
197.11780	4.3
197.74358	1.5
199.13300	5.4
201.11269	2.6
207.10178	14.7
209.11821	6.2
211.13322	3.8
213.11298	12.5
215.12799	6.3
221.11792	18.1
225.11270	17.9
227.12875	20.5
235.20609	2.7
239.12862	5.3
243.12292	2.6
244.12901	1.2
261.18561	2.1
277.18018	1.3
279.19638	10.8
287.16400	1.7
291.19867	1.4
297.20755	3.7
305.17545	7.2
311.09225	2.3
323.18668	6.3
326.11694	2.2
341.06778	3.4
341.10760	40.7
341.14236	3.3
341.19604	8.6
341.23276	51.7
342.11072	3.0
342.23596	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01740	1.9
57.03329	6.5
58.00459	7.5
59.01252	96.9
67.64616	2.6
69.03322	3.7
71.01255	74.2
71.04881	3.6
71.06174	5.1
72.02026	2.6
72.99189	5.0
73.02830	11.9
83.01273	2.6
83.04906	5.2
84.02048	7.3
85.02827	14.9
87.00764	3.9
89.02322	78.7
95.01257	4.5
95.04906	32.4
97.06479	8.5
99.00759	3.9
99.08015	4.6
100.01546	6.0
101.02330	32.7
107.04910	6.0
109.06481	7.2
111.08035	2.9
113.02335	31.2
113.05978	4.9
113.09613	25.9
115.07540	18.8
119.03408	31.1
121.02856	9.0
121.06467	2.4
121.55228	2.2
123.04381	3.1
123.08083	4.8
125.06007	5.9
125.09625	5.8
127.07555	32.1
127.11185	2.8
135.04370	2.6
135.08025	2.6
138.81955	2.7
139.07559	14.8
141.09099	8.0
143.03331	5.3
143.07028	6.1
149.04530	3.1
151.07578	3.6
151.11177	15.3
153.12831	2.0
155.10625	2.6
161.04463	8.8
163.11205	9.9
165.09094	2.3
167.10699	3.6
169.08620	35.0
169.12251	6.7
171.10187	100.0
171.11662	4.9
172.10468	4.9
177.12819	2.6
179.05544	35.5
181.12234	3.5
185.11742	14.9
189.09077	2.4
197.11772	8.3
199.13383	5.2
201.11295	5.9
207.10201	20.6
209.11784	7.3
213.11310	13.0
215.12859	5.9
221.11790	8.2
225.11287	18.2
227.12825	26.2
235.20587	3.1
239.12924	2.4
243.12267	5.6
261.18564	2.9
279.19739	11.2
297.20724	3.8
305.17606	9.8
323.18530	6.2
341.06699	4.8
341.10764	42.0
341.14368	4.3
341.19617	9.8
341.23331	28.2
342.10880	2.8
342.23749	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98610	0.7
55.01751	0.8
57.03334	0.8
58.00457	0.9
59.01249	21.7
65.00199	3.1
67.01772	1.1
71.01250	20.5
71.50924	0.9
72.99175	1.4
79.05444	0.8
83.01260	1.0
85.02821	3.9
87.00777	2.1
89.02322	21.8
91.05438	1.5
93.03364	3.0
95.01264	1.4
101.02333	9.2
101.46587	0.8
107.01267	5.1
109.02846	1.1
111.00716	1.0
113.02316	6.6
117.47971	0.8
119.03382	7.5
131.01263	1.2
131.03375	1.6
135.04404	7.2
143.03395	2.7
145.02840	4.8
151.00269	18.1
161.02426	1.9
161.04462	2.4
173.04500	1.9
173.15569	0.8
175.00304	6.4
176.03944	17.5
176.54082	6.6
177.04308	0.9
178.99837	1.7
179.03442	6.6
179.05510	8.0
180.03899	0.9
182.14001	0.9
185.11765	3.1
194.07245	0.9
196.05194	1.7
209.06090	1.0
210.06895	1.2
211.07607	0.9
222.06895	1.4
223.07503	1.0
224.04759	5.7
224.08195	1.1
225.09050	1.4
227.10727	2.6
237.05685	1.0
238.06357	8.0
239.06914	1.0
239.10742	2.9
241.08597	3.9
251.07059	1.4
252.04367	1.1
252.07832	1.1
253.08701	1.7
254.09508	2.5
255.10237	11.5
260.09744	2.4
263.07248	1.0
265.08560	1.0
266.05698	5.3
267.10199	2.5
269.11749	4.5
270.05365	2.5
270.12598	3.4
282.08636	1.5
283.09747	54.3
284.10172	3.3
294.09070	2.6
295.09689	5.7
296.10608	3.1
297.03793	1.4
297.11227	1.9
298.04849	1.1
298.12152	3.2
309.11328	2.3
310.08688	1.9
310.12134	2.5
311.09238	100.0
312.09546	9.1
313.05966	1.2
325.10785	15.7
326.11563	76.2
327.08560	1.3
327.11990	5.4
334.24637	0.9
335.07950	1.5
341.10645	7.0
341.14001	80.9
342.10773	1.6
342.14334	9.3
349.52634	0.9
364.79092	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	1.9
59.78614	0.6
69.38828	3.6
69.39247	1.6
71.01240	1.1
77.70457	0.7
91.05386	1.2
97.09869	0.6
98.19836	1.1
116.94661	0.7
122.84637	0.8
126.90415	0.6
134.13910	0.7
145.02832	2.3
173.04468	0.8
196.05209	1.5
197.09601	0.7
207.08081	0.9
208.05214	1.0
209.06010	1.2
211.07497	0.9
222.06824	1.4
223.07518	0.9
224.04755	6.2
224.08417	1.2
225.05151	0.8
225.09071	1.6
227.10672	2.0
235.07675	0.7
237.05634	1.3
238.06302	10.5
239.06804	1.8
239.10768	3.4
241.08638	3.6
251.07158	1.4
252.04326	1.7
253.08740	1.0
254.09464	3.0
255.10242	9.7
264.08057	0.7
265.05215	1.0
265.08527	0.9
266.05801	7.3
267.10269	1.9
269.11923	3.5
270.05362	1.6
270.12625	2.3
280.07321	1.0
281.08237	0.9
282.08914	2.2
283.09750	54.7
284.10107	3.6
294.08890	2.0
295.09732	4.6
296.10431	2.8
297.11264	1.6
298.12000	2.9
309.08069	0.8
309.11380	2.7
310.08527	1.9
310.12238	2.7
311.09247	78.3
311.12378	2.6
312.09607	5.6
325.10791	13.2
326.11569	72.8
327.11942	5.9
341.13925	100.0
342.14246	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	0.5
57.03309	1.3
57.04222	0.3
57.26794	0.3
58.00462	1.4
59.01247	30.3
60.01567	0.5
65.36668	0.3
69.03316	3.5
71.01251	21.5
71.04877	1.2
72.01578	0.5
72.99193	1.8
73.02809	1.1
75.00738	0.6
80.02518	0.6
81.03330	1.3
83.01253	1.1
83.04897	2.5
84.02041	1.6
85.02818	3.6
87.00748	1.5
89.02314	24.6
90.02653	0.6
93.03354	0.5
94.57494	0.3
95.01273	1.3
95.04897	3.9
97.02829	1.4
97.06464	14.0
98.19816	0.6
99.00756	0.6
99.04395	1.5
99.08003	0.5
100.01556	0.5
101.02322	9.3
102.20678	0.3
107.04900	0.7
109.06490	1.1
110.03580	0.4
111.04350	0.5
111.08024	1.0
113.02326	7.7
113.05961	0.5
113.09615	1.8
115.07527	1.5
119.03389	8.5
119.08519	0.5
121.02856	0.4
121.10073	0.5
122.03715	0.4
123.04433	0.6
123.08021	0.8
125.02263	0.7
125.05883	0.6
125.09599	3.6
127.07539	2.0
127.11178	1.0
131.03384	1.5
135.08038	0.9
137.09616	1.7
139.07553	1.5
139.11108	0.4
141.09134	0.7
143.03418	2.5
143.07018	0.8
147.64807	0.3
149.04469	1.3
149.09624	0.6
149.13220	0.5
151.07526	1.2
151.11197	1.5
153.09119	0.6
155.10652	0.5
161.04475	3.2
163.11179	1.1
165.12744	1.6
167.10666	1.1
169.08607	2.9
169.12302	1.0
171.10173	20.1
172.10526	0.7
173.88429	0.4
175.11179	1.2
177.12793	1.0
179.05531	10.1
181.12299	0.6
185.11731	2.1
191.10670	0.4
193.12260	17.1
194.12698	0.6
197.11777	0.9
197.15376	0.9
199.13295	0.9
201.11279	0.7
207.10182	1.6
209.11812	1.9
211.13287	3.7
213.11209	1.0
215.40843	0.4
221.11760	1.3
225.11292	2.0
225.14908	25.4
226.15262	1.5
227.12770	2.2
243.15967	9.9
244.16347	0.6
253.14384	2.0
279.19666	0.9
287.16489	0.5
291.19601	1.8
305.17590	1.4
305.21231	0.9
311.09167	0.6
323.18582	3.0
323.22253	1.0
326.11731	0.5
341.10843	10.7
341.23288	100.0
342.11246	0.9
342.23645	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	341.0876
Annotation	Caffeic acid 3-glucoside
Peak:m/z	Relative Intensity
58.00452	1.7
59.01248	25.6
64.68810	0.8
69.17019	10.0
71.01252	24.1
71.58905	0.8
72.99154	2.1
85.02817	3.9
87.00739	1.3
89.02314	23.7
91.05413	1.2
93.03320	0.9
95.01260	1.2
99.00732	0.8
99.12153	0.9
101.02316	12.0
107.04906	2.0
113.02319	8.4
116.23207	0.8
118.92339	0.8
119.03381	10.6
131.03328	1.9
134.03618	2.4
135.04410	100.0
136.04735	3.5
143.03375	2.1
149.04459	1.4
150.06746	3.5
161.04404	3.3
164.73376	0.8
178.06255	4.5
179.03416	75.2
179.05476	8.8
179.06926	2.5
180.03740	3.4
207.00157	0.8
321.03409	0.9
329.17334	0.8
341.11319	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	341.1089
Annotation	D-(+)-Trehalose
Peak:m/z	Relative Intensity
51.03823	0.9
57.03317	1.6
58.00468	3.5
59.01253	87.9
69.46492	2.2
69.46899	4.5
71.01255	65.7
72.99174	2.4
73.02813	1.1
75.00789	1.0
80.84088	1.0
83.01291	1.1
85.02827	6.9
87.00764	5.0
89.02319	100.0
90.02647	1.8
93.86257	1.0
95.01260	3.1
100.44543	0.9
101.02328	33.6
111.82275	1.0
113.02335	29.8
118.78210	0.9
119.03389	39.9
125.02314	1.5
131.03381	6.4
143.03418	10.6
149.04489	2.8
161.04448	13.5
174.08000	0.9
179.05537	47.3
211.39944	1.1
231.48550	1.1
341.10886	50.0
342.11295	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	341.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
57.43966	0.6
58.00365	0.9
59.01129	12.5
59.01469	4.9
62.91790	0.5
69.20935	6.0
71.01122	9.2
71.01556	2.1
73.02681	0.7
77.32359	0.5
79.75730	0.6
80.68557	0.5
80.97345	0.5
85.02690	1.9
85.03162	0.6
85.66868	0.5
87.00668	0.6
89.02177	11.7
89.02774	1.4
91.05312	0.9
93.03226	0.6
95.01160	0.6
98.20512	1.2
101.02165	5.2
113.02165	3.7
113.03894	0.5
119.03215	4.3
121.02725	0.8
131.03299	0.6
135.04263	2.5
136.01442	0.6
136.04720	0.7
137.02159	1.7
143.03351	0.7
145.02841	2.6
151.03751	0.8
161.02225	1.0
161.04378	1.3
162.03018	1.1
163.03802	1.1
173.04404	0.8
175.03723	0.7
176.53973	0.7
179.03404	1.3
179.05385	5.0
179.06944	1.2
193.06471	0.6
196.05115	0.8
209.09863	0.5
210.06691	1.1
213.08910	0.6
222.06731	1.3
224.04691	4.8
225.05400	0.7
225.09172	1.2
227.10634	1.9
238.06328	6.8
239.06873	0.6
239.10767	2.7
241.08688	3.7
250.06363	0.6
251.07149	1.1
252.04173	1.0
252.07887	1.1
253.08600	1.3
254.09396	2.2
255.10228	8.6
259.59113	1.4
266.05811	5.3
267.10239	1.9
269.11841	4.3
270.05157	1.5
270.12601	3.7
281.08133	1.1
282.09003	2.0
283.09744	47.1
284.10077	4.9
293.08450	0.7
294.09024	1.6
295.09781	6.0
296.10629	3.4
297.11270	2.7
298.04883	0.7
298.12119	4.6
309.11356	2.8
310.08514	1.9
310.12122	1.9
311.09238	100.0
312.09598	11.6
325.04938	0.6
325.10806	15.5
326.11572	66.0
327.11902	7.0
335.07712	0.7
341.11096	4.2
341.13980	78.8
342.11017	0.9
342.14383	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2327
Annotation	Dimethisterone
Peak:m/z	Relative Intensity
53.79382	0.4
64.09131	0.4
98.20607	0.6
125.71161	0.3
129.98387	0.4
143.48479	0.4
163.11194	100.0
164.11525	5.4
178.48094	0.4
195.92445	0.4
198.76610	0.4
296.84482	0.3
322.67706	0.4
327.46811	0.4
339.23264	46.3
340.23572	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	337.2383
Annotation	11-deoxy-PGE1
Peak:m/z	Relative Intensity
59.01250	7.1
71.01253	1.3
78.95779	1.5
85.06474	1.3
87.01297	0.9
101.02309	1.0
102.03931	0.9
113.76420	0.9
153.41502	0.9
165.12814	1.2
171.10178	13.8
179.75200	0.9
193.42290	0.8
224.88992	0.9
230.01433	0.9
249.18790	1.0
251.16492	10.9
268.73907	1.1
302.77670	0.8
319.22812	5.9
337.23834	100.0
338.24139	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	339.0719
Annotation	AESCULIN
Peak:m/z	Relative Intensity
52.98107	0.2
59.01253	0.7
69.14775	0.1
69.52104	0.1
71.01234	0.2
71.37841	0.3
71.49152	0.2
81.03339	0.5
81.31860	0.2
82.90857	0.2
86.27016	0.2
89.03835	1.5
93.03333	0.3
104.02560	0.6
105.03349	3.2
111.04394	0.2
121.02815	0.2
126.79042	0.2
133.02853	7.4
134.03180	0.2
139.04019	0.2
148.01582	0.5
149.02333	0.7
173.04558	0.2
176.01079	1.4
177.01846	100.0
178.02185	4.4
191.05682	0.2
206.09004	0.2
238.02335	0.2
339.07175	8.9
340.07523	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19277	0.5
59.01248	2.4
70.57913	0.6
72.99167	2.8
97.06467	4.0
98.19654	1.0
100.86612	0.6
125.05975	18.2
126.06311	0.6
143.07042	70.7
144.07378	2.8
151.11189	16.1
163.11105	0.7
169.12257	100.0
170.12581	5.6
171.10182	0.9
183.01123	0.8
194.95322	0.6
195.10155	0.8
213.11270	95.0
214.11606	5.4
231.21216	0.5
245.19157	0.8
318.11899	0.6
339.18161	11.0
340.18372	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2175
Annotation	Plakorstatin 1
Peak:m/z	Relative Intensity
57.03317	3.2
57.88306	1.1
59.01257	11.2
68.80317	1.0
69.18062	3.0
69.18488	7.1
71.01264	1.9
71.04903	1.1
73.02822	1.8
78.42472	1.0
78.95710	1.1
79.06294	0.9
80.02521	1.1
81.03310	4.1
83.04904	1.9
85.02832	1.9
93.03279	1.0
94.44682	0.9
95.04882	2.9
97.02825	5.6
97.06454	2.3
101.02325	1.2
101.55929	0.9
106.55091	1.0
109.06463	1.6
111.08019	1.9
121.06480	2.0
123.04442	5.9
123.08012	3.2
125.09618	8.4
127.07542	1.6
133.41019	1.1
135.08060	1.6
137.05980	1.2
137.09618	5.5
139.07529	3.9
140.01595	0.9
141.12776	1.7
149.05963	2.8
151.11208	1.3
153.12701	1.0
155.10643	2.1
160.08792	1.3
162.10449	1.3
163.07553	1.4
163.11186	9.7
165.09151	1.1
165.12880	1.1
171.10188	2.3
177.12701	2.1
179.10634	1.6
181.12294	2.1
183.01118	1.8
185.11765	14.6
187.11237	1.1
191.10658	3.4
191.14319	13.1
199.13028	0.9
207.10184	8.2
209.11806	1.5
217.15894	1.8
225.11279	7.5
237.14978	1.0
243.17587	1.0
245.19081	31.5
246.19330	2.2
247.16985	1.0
263.20078	1.2
266.37787	0.9
271.16992	2.6
289.18079	100.0
290.18411	9.4
303.16016	1.2
307.19104	35.8
308.19562	2.4
321.17371	2.0
321.20667	7.7
324.19290	6.3
338.81366	1.0
339.16968	2.4
339.21735	67.0
340.22031	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2382
Annotation	Sclerophytin A
Peak:m/z	Relative Intensity
59.01258	20.6
69.56982	5.5
69.57390	10.9
78.95776	43.3
81.85185	2.5
93.57578	3.4
96.96839	13.3
98.98296	2.6
111.08048	34.7
147.45932	3.0
152.99506	8.2
154.18727	3.0
171.00584	4.5
197.15402	5.7
207.13892	4.3
225.14923	100.0
226.15114	4.9
239.16550	19.4
240.56203	2.8
241.01021	4.9
277.21649	7.5
278.21960	8.1
279.23044	4.4
291.23245	6.1
293.21402	3.8
301.21677	4.4
316.64209	3.8
319.22839	19.9
337.20135	4.4
337.23840	37.0
338.24313	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	337.2381
Annotation	Sclerophytin A
Peak:m/z	Relative Intensity
50.34938	1.4
50.99610	1.3
52.33205	1.4
57.03333	1.5
58.67819	1.2
59.01254	11.4
60.44901	1.3
60.63306	1.1
62.34013	1.2
69.97726	1.3
71.50135	2.0
78.95776	5.9
85.02817	1.8
85.62372	1.3
111.08030	30.8
120.14907	1.4
127.07564	3.9
134.09622	5.0
143.02374	1.4
161.04439	1.9
179.14340	1.5
190.12251	8.1
190.77098	1.4
195.14014	1.7
197.15396	6.0
207.13837	2.3
225.14906	100.0
226.15213	5.5
227.16345	3.3
239.16519	10.6
291.23221	6.5
293.21259	2.3
300.48615	1.5
301.21848	2.0
319.22751	18.8
320.23022	2.2
337.23825	43.4
338.24323	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	337.2018
Annotation	Monacolin J acid
Peak:m/z	Relative Intensity
57.03312	7.7
58.07587	3.6
59.01252	39.8
69.48545	23.5
71.01248	6.5
71.66491	2.8
81.03351	5.1
83.04897	7.3
93.03355	3.6
95.04904	7.5
97.02837	4.8
97.06475	5.7
99.04401	9.9
101.02356	3.4
107.04900	53.0
107.58364	3.3
109.06499	3.9
111.07935	3.5
115.25628	3.3
116.06972	2.9
119.04920	6.0
123.04385	18.1
123.08086	3.8
125.02367	5.5
125.05973	19.6
125.09599	26.1
135.08060	25.1
137.05962	11.4
147.04411	8.3
153.09088	36.4
154.43192	3.2
154.44475	3.0
163.11240	8.0
175.11125	5.0
176.08382	5.8
185.11758	21.2
189.09082	4.2
189.12770	5.6
191.10725	23.4
197.11723	7.4
207.10202	10.7
209.11783	4.1
211.25070	3.9
215.14240	3.0
217.12227	10.8
223.13358	5.1
230.37485	3.3
239.12823	5.7
243.17487	29.3
254.27417	3.1
261.18695	3.8
267.12268	13.3
269.15533	6.0
287.16547	44.7
293.21112	7.1
305.17572	36.4
306.17740	4.2
319.19159	100.0
319.22543	6.7
320.19504	6.8
322.17746	19.2
323.17914	3.1
337.20190	44.9
338.20422	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	337.0928
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
50.00412	0.2
56.04313	0.2
57.03318	0.4
58.00436	0.3
59.01249	0.7
60.99169	1.1
63.07112	0.3
67.01768	2.1
69.03321	0.6
69.52285	1.5
70.24844	0.2
71.01244	0.8
75.43221	0.3
81.03324	0.6
83.04874	0.4
85.02822	2.7
87.00748	3.7
93.03332	12.9
94.03668	0.5
98.20660	0.3
99.00741	0.3
99.04389	0.5
111.04411	2.3
119.04914	4.8
120.05209	0.3
127.03885	0.7
127.82863	0.2
129.01794	0.5
145.02876	1.2
155.03416	0.4
163.03915	6.9
173.04465	8.4
174.04913	0.3
191.05533	100.0
192.05875	3.4
220.38876	0.3
337.09262	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	337.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	2.8
72.56676	0.8
90.11042	0.8
98.19815	2.8
106.79334	0.9
125.56992	0.8
126.39793	0.8
127.47884	0.8
161.02405	0.7
162.03154	1.6
169.06459	0.9
170.03773	1.1
177.05589	4.2
191.05566	1.3
193.06494	1.2
195.08070	1.8
202.40771	0.8
205.06586	0.8
206.07321	1.2
207.08090	6.7
208.05273	1.1
209.06036	1.7
217.06551	1.1
219.08116	1.2
221.06075	1.8
222.06770	1.4
223.07605	5.3
233.05969	2.6
234.06784	4.5
235.03920	2.2
235.07625	13.6
236.04683	1.0
237.05493	2.4
250.06310	2.2
251.07063	11.3
261.05545	1.8
262.06256	2.5
263.07114	7.2
264.07645	2.0
266.09497	5.9
278.05817	3.3
279.06610	95.6
280.06915	8.4
290.05872	2.4
291.06604	34.8
292.07248	10.7
293.08200	3.8
294.08951	9.0
305.08264	5.4
306.05493	1.1
306.08926	27.7
307.06143	100.0
307.09531	7.2
308.06531	8.5
321.07657	16.1
322.08441	54.1
323.08899	4.1
337.10815	58.3
338.11121	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	337.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	30.2
61.67069	3.3
63.36221	3.1
71.01248	3.9
74.04772	3.3
77.00706	3.4
77.34552	4.4
78.40910	3.5
78.95785	6.9
80.21268	3.2
83.04905	3.8
92.00068	3.3
95.00224	3.7
95.01237	3.9
99.04411	5.6
109.06445	4.1
110.50294	3.4
111.07962	4.6
111.53156	3.1
133.72125	4.1
153.09079	4.4
155.10782	3.5
161.09563	4.7
163.82275	3.3
179.10677	6.8
222.08902	4.1
225.14902	8.6
239.09166	8.6
243.17500	27.9
261.18604	11.0
269.86322	3.7
287.16562	27.5
305.14139	5.7
305.17578	100.0
306.17786	11.7
319.22601	4.1
337.09235	4.1
337.20145	6.7
337.23853	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	333.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	6.3
57.03299	5.0
59.01248	47.1
69.73268	9.0
71.01250	55.2
72.68638	2.3
72.99176	3.1
73.02821	16.6
73.45705	2.7
79.23108	2.0
83.01247	11.8
84.63745	2.2
85.02827	28.3
86.00005	2.7
87.00768	5.0
89.02321	11.7
90.02713	2.0
93.03369	2.6
95.01263	5.7
95.16013	2.0
96.95893	5.2
99.00783	5.6
101.02322	50.5
102.02660	2.8
113.02322	20.7
119.03434	7.5
127.03944	4.4
127.07668	2.2
135.04425	5.5
137.09598	2.1
155.10677	11.0
159.02887	2.7
161.04517	10.3
168.26071	2.3
171.10245	6.7
176.03955	7.9
179.03535	2.8
191.05545	6.9
217.10811	4.2
261.64679	2.7
289.12061	5.5
289.16623	3.5
291.14536	6.9
333.15637	100.0
334.15973	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	337.0929
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
55.30576	0.3
56.26664	0.3
57.03323	0.4
58.09838	0.3
59.01251	1.8
61.43121	0.3
67.01752	1.3
69.03324	0.4
70.37484	1.0
71.01247	1.5
72.69709	0.3
73.61330	0.3
81.03323	0.7
83.04915	0.5
85.02818	11.8
87.00755	3.6
93.03328	8.3
98.19912	0.4
101.02283	0.3
106.89827	0.3
109.02839	1.0
111.04384	2.1
119.04921	3.3
123.08596	0.3
127.03902	2.6
137.02299	0.4
141.56671	0.3
145.02844	1.2
147.48859	0.3
163.03932	2.3
171.02917	0.7
173.04457	2.7
176.44661	0.4
181.18623	0.3
191.05531	100.0
192.05878	4.1
206.58708	0.3
256.82159	0.3
337.09299	2.1
338.09360	0.4
341.02924	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	46.8
59.12315	0.7
64.53489	0.6
71.01241	3.7
71.51355	1.2
73.02806	1.4
83.01295	0.6
83.04894	1.0
85.02795	0.8
89.02308	1.3
91.03912	1.4
93.03366	0.6
94.10928	0.6
96.95894	1.4
101.02312	1.8
111.08041	1.2
113.02333	0.9
119.04906	0.9
119.27373	0.5
125.09629	0.7
127.11194	1.1
135.08028	0.7
137.09618	11.7
138.09955	0.8
153.09135	0.9
155.10686	100.0
156.11014	3.5
161.04562	1.0
171.10173	31.8
172.10599	1.3
176.03987	0.9
179.03406	1.1
181.08636	4.5
185.99866	0.6
199.09688	18.7
200.10101	1.3
217.10754	42.2
218.11070	1.7
241.10616	0.9
259.11981	0.8
273.13425	19.7
273.16245	1.3
274.13849	1.3
291.14496	76.3
292.14847	5.2
333.15588	26.1
334.15851	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	333.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04391	0.3
69.35220	2.0
69.35636	0.5
78.03358	1.0
80.04916	0.7
87.24905	0.2
90.44806	0.3
92.04932	2.6
94.02850	0.6
94.06503	4.7
98.19833	0.6
103.04147	0.5
104.04936	2.9
105.03345	3.1
106.06503	13.7
107.03635	0.7
107.06844	0.5
108.04437	2.4
120.04439	6.0
121.05237	1.9
122.02356	0.9
122.06004	16.2
122.94215	0.3
123.03146	2.5
123.06329	0.9
124.07549	1.1
128.52563	0.4
128.60287	0.3
131.03658	0.9
132.04445	9.1
135.03133	0.4
138.05498	26.2
139.05812	1.1
140.07027	0.6
148.03926	1.2
150.05501	2.5
159.06810	0.4
166.04993	0.8
174.12802	0.9
184.11211	0.3
188.06944	0.5
189.07816	1.5
200.05736	0.3
202.08784	0.4
202.12376	0.6
203.09363	0.3
212.05699	0.3
212.09474	0.3
213.06627	0.7
214.07393	0.5
215.11790	1.8
217.07433	1.8
218.11887	0.5
226.07452	0.6
228.08992	1.2
229.09682	0.8
231.08913	0.8
231.11372	1.3
241.06035	0.4
241.09784	3.3
243.11403	2.2
253.09726	0.4
259.10965	0.3
271.10880	1.0
281.01404	0.3
289.11926	100.0
290.12225	7.7
333.10889	6.4
334.11377	0.6
352.54178	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1889
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89517	0.7
59.01249	1.8
59.28130	0.7
59.53964	0.7
68.61248	0.7
69.03331	11.3
69.60467	5.1
71.01260	2.4
93.03358	1.3
97.02831	50.3
97.06453	0.9
98.03157	0.8
101.02296	1.1
111.04364	1.8
125.06002	4.1
127.07531	1.2
152.00824	2.5
177.01688	1.2
178.02397	6.1
180.00389	0.9
181.12289	0.9
182.64735	0.7
191.03175	5.0
210.01408	6.8
219.06371	7.7
233.07959	1.4
233.11504	2.8
234.08768	1.4
261.11075	62.6
262.11850	100.0
263.12198	5.7
267.12106	2.1
281.93277	0.8
294.10870	14.1
295.11078	1.0
307.05295	0.8
313.17853	2.4
331.18918	21.3
331.22964	1.0
332.19061	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	333.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72305	0.6
55.01754	0.8
59.01252	8.1
70.84251	1.1
70.84599	1.2
71.01248	8.1
72.66999	0.6
72.99192	0.6
73.02806	1.1
77.37439	0.6
78.03379	1.1
80.04943	1.1
85.02819	1.6
88.05834	0.7
89.02313	5.1
92.04919	1.9
93.25256	0.6
94.06488	4.1
95.01268	1.9
96.95888	1.2
101.02316	5.8
103.04212	0.8
104.04930	2.5
105.03317	2.2
106.06503	11.1
108.04421	1.6
112.69210	0.6
113.02319	2.7
119.03374	2.4
120.04433	4.0
121.05190	0.8
121.59087	0.6
122.02334	0.7
122.06012	13.6
123.03157	2.0
124.07557	0.6
127.03897	2.6
131.03653	1.1
132.04456	6.5
133.96170	0.6
135.03131	0.8
136.03966	0.7
138.05501	19.5
143.03329	0.7
148.03828	0.9
150.05516	2.6
155.10660	1.2
189.07872	1.4
213.06677	1.4
217.07401	2.0
241.09807	3.3
243.11389	1.6
271.10977	1.1
273.05847	0.9
289.11935	100.0
290.12238	8.1
291.14426	1.2
333.10870	8.4
333.15558	7.2
334.11398	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2333
Annotation	9,12,13-Todea
Peak:m/z	Relative Intensity
57.03315	1.4
59.01262	0.5
69.03316	0.6
71.04888	0.5
83.04900	1.0
85.02813	1.1
87.00762	0.3
93.03326	0.5
97.06464	0.6
98.19828	0.7
99.07381	0.4
99.08031	7.6
99.08656	0.5
101.05976	0.4
102.60883	0.3
111.08040	0.6
125.09607	1.4
127.11192	3.8
129.09116	0.7
137.09613	0.3
139.11192	3.8
155.10680	0.8
155.14319	0.8
165.12735	0.6
167.10710	0.3
167.14349	2.1
171.10185	10.9
172.10469	0.3
183.13824	7.5
184.14059	0.5
185.11716	0.5
191.05507	2.7
193.12248	2.6
199.13370	1.0
201.11395	0.3
209.11736	1.3
211.13333	38.4
212.13651	2.1
229.14418	19.9
230.14760	1.0
243.40018	0.3
257.17645	0.4
293.21277	1.0
299.01752	0.3
311.22208	1.0
314.04434	0.3
329.23312	100.0
330.23688	9.0
330.27707	0.3
344.27844	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99819	0.3
59.01234	0.5
60.39262	0.3
65.94588	0.2
71.01250	1.1
73.02797	0.3
79.74140	0.3
79.95602	7.2
80.96392	0.4
93.03291	0.4
96.95861	0.4
98.20590	0.5
107.04902	1.0
119.04913	100.0
120.05244	4.2
135.04416	14.0
137.19856	0.3
163.03923	7.4
164.04329	0.3
165.01740	0.3
179.03456	0.4
199.00638	36.2
199.03825	1.9
200.00934	1.4
213.05356	0.3
215.00143	20.1
216.00438	0.7
225.05576	0.3
227.03461	1.5
240.04269	0.9
242.99675	3.4
255.02930	0.8
255.06657	0.4
258.97824	0.3
268.03726	0.7
270.05331	2.3
270.09018	0.7
271.06046	1.1
275.17429	0.3
283.06146	0.7
285.07639	6.0
286.04837	0.6
286.08261	0.9
298.08490	0.7
300.10010	5.0
301.07269	0.5
301.10541	1.4
313.10782	0.5
316.09436	1.3
331.04904	20.3
331.11826	2.1
332.05212	1.6
332.12189	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1392
Annotation	Fragransol-B
Peak:m/z	Relative Intensity
50.26270	0.4
53.13520	0.6
54.82833	0.5
54.84264	0.5
59.01242	1.0
63.13956	0.5
65.46468	0.5
65.87845	0.5
69.56882	0.5
71.17513	0.6
74.55216	0.4
85.02846	0.5
93.03332	1.8
109.02842	1.7
119.04820	0.5
121.02843	24.7
122.03171	1.0
123.04442	0.8
135.04451	3.5
143.39801	0.6
147.04417	9.0
149.02336	1.3
159.04456	4.3
160.05240	3.2
161.05939	1.7
163.03900	0.8
166.67548	0.6
167.03429	0.6
167.07021	0.7
174.03154	0.6
175.07585	2.8
177.05472	0.7
184.05115	0.6
192.07887	1.5
196.05174	1.3
199.07652	0.5
207.08192	0.7
211.04031	1.5
212.04678	5.3
222.06923	0.9
223.07494	1.2
224.06915	1.0
225.05524	1.7
225.09035	0.7
226.06248	1.8
227.06906	0.8
227.10727	0.8
229.08743	0.7
237.05460	0.8
238.06160	0.7
239.03528	0.9
240.04239	5.0
241.04901	0.9
241.08711	3.3
243.10295	1.7
250.06198	1.0
251.07051	2.5
253.04984	1.6
253.08615	2.7
254.05811	7.7
255.10262	1.9
263.07144	0.8
267.06741	1.1
268.07379	1.8
269.08176	63.8
270.08566	5.3
271.02533	0.9
271.09781	7.7
272.10019	0.9
274.65796	0.6
279.41769	0.6
281.08176	8.9
282.08643	1.4
283.09760	4.6
284.10428	0.8
285.04068	0.7
286.04803	1.8
298.08661	0.9
299.02106	1.5
299.09232	47.5
300.09607	4.6
303.43677	0.5
313.10776	1.9
314.08411	2.2
314.11584	64.6
315.11942	6.3
329.10629	4.1
329.13937	100.0
330.10553	1.0
330.14227	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	329.0666
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01224	0.7
65.00178	0.5
68.14929	0.4
69.75170	1.6
69.75587	1.2
71.01230	0.6
85.02796	0.8
87.58929	0.5
93.03270	1.6
98.19876	0.7
118.40247	0.5
151.00224	2.4
155.03291	0.5
161.02351	14.5
162.02657	0.5
167.23027	0.5
172.05118	0.9
183.04407	1.8
185.02328	3.8
187.00308	1.0
191.05542	6.3
199.03949	2.7
203.03455	7.5
211.13361	1.6
215.03410	2.2
227.03444	16.2
228.03889	0.6
229.01306	1.8
243.02957	4.6
247.58069	1.2
271.02478	46.1
272.02771	2.8
283.13330	1.4
285.03937	2.0
286.04214	0.6
297.03873	0.6
299.01959	87.8
300.02313	7.3
313.03470	5.2
314.04318	55.9
315.04568	4.3
329.06659	100.0
329.23273	4.6
329.63562	0.7
330.07022	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0665
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	0.9
63.02272	0.6
63.59428	0.3
69.24792	3.2
83.01251	0.4
107.01250	0.6
113.49037	0.3
119.04897	0.5
133.02863	0.6
148.07484	0.7
149.02322	0.7
151.00241	1.2
154.63277	0.3
161.02374	1.3
163.03912	0.5
164.04601	0.3
171.04326	0.3
174.05434	0.4
177.03589	0.3
188.59401	0.3
191.05547	0.4
199.03906	1.4
200.04785	0.3
201.01862	0.7
203.03355	0.5
206.08105	0.6
215.03500	0.5
227.03458	1.0
240.04234	0.4
243.02892	1.8
268.03738	2.5
269.04477	0.7
271.02460	89.8
272.02780	6.4
284.03253	1.1
285.04019	4.9
286.04401	0.4
296.03284	0.9
297.04013	1.7
299.01950	96.5
300.02289	7.4
311.12936	0.4
313.03503	9.0
314.04300	97.3
315.04611	6.9
329.06647	100.0
330.06973	8.8
331.31812	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0665
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01231	3.0
65.00203	0.7
67.01746	1.1
69.87268	3.8
71.01232	2.8
81.03291	0.6
85.02808	4.7
87.00723	1.8
87.94801	0.6
93.03338	4.6
111.04357	0.9
127.03889	0.9
134.28113	0.6
134.82449	0.6
151.00229	1.8
161.02321	1.0
173.04466	1.0
187.03941	1.3
191.05545	26.7
192.05780	1.2
197.02301	0.7
199.03906	2.4
211.03957	1.3
211.13318	0.9
225.05513	1.1
227.03523	1.3
237.05536	0.9
243.02985	2.2
256.07007	0.7
259.33893	0.7
268.03775	2.9
268.45340	0.9
269.04379	0.8
271.02469	92.8
272.02777	5.8
285.04044	4.3
296.03314	0.9
297.04059	1.9
299.01956	100.0
300.02353	6.7
313.03516	9.9
314.04303	88.2
315.04681	6.4
315.13431	0.9
329.06662	84.0
329.13333	4.0
329.22815	2.4
329.63452	1.4
330.07120	6.9
330.13919	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	327.2175
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
50.69827	0.4
52.83210	0.3
57.03309	1.5
69.03317	0.7
69.03723	0.4
69.23199	0.4
69.23312	0.6
69.23686	4.0
69.24039	0.7
71.01249	0.5
81.03340	0.5
82.16178	0.4
83.04906	0.5
85.02818	4.5
90.62371	0.4
95.04918	1.1
97.02856	0.4
97.06465	3.9
98.19794	0.8
122.84818	0.4
125.09613	1.3
127.11103	1.9
137.09615	1.0
143.56335	0.4
155.10672	0.5
156.73071	0.4
165.12701	0.8
167.14258	0.7
171.10178	8.2
172.33464	0.4
177.12787	1.4
183.13808	4.1
185.11798	0.8
192.46378	0.4
193.12267	1.7
197.11763	0.5
203.10706	0.6
209.11803	1.8
211.13326	21.2
212.13629	1.3
220.55115	0.4
221.11749	2.7
229.14412	12.8
230.14627	0.9
239.12767	2.3
291.19568	3.2
309.17120	0.4
309.20728	1.4
327.21741	100.0
328.22083	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	327.2175
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
57.03339	0.9
59.13711	0.7
65.55112	0.7
66.89283	0.6
71.01257	0.9
71.04893	1.6
73.02802	3.7
83.04909	0.9
84.02936	0.7
97.06466	1.5
99.08036	1.7
111.08061	0.9
112.05174	2.3
113.09587	1.1
115.07526	2.0
119.85118	0.7
125.09603	1.3
127.07556	4.1
127.11172	1.7
129.09105	28.5
130.09427	0.9
141.09117	12.1
141.12759	0.9
142.73839	0.6
153.12685	1.1
155.10686	23.0
163.11206	0.7
165.12772	0.8
171.10187	19.8
181.12238	1.0
185.11751	44.2
186.12100	2.6
197.11754	38.7
198.12048	2.3
209.11763	7.4
247.20644	1.9
291.19653	14.0
291.22690	1.2
292.19894	1.6
309.20709	29.1
310.21051	2.7
327.21756	100.0
328.22104	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	325.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59921	1.9
57.03306	2.4
59.01252	14.5
63.30447	2.2
71.01241	4.5
71.51126	2.7
73.02802	2.0
78.90388	2.4
84.05244	2.2
85.02853	2.5
85.03748	2.0
87.00770	2.6
99.08078	2.5
101.02316	4.7
112.95814	2.0
121.10123	5.1
123.07986	2.7
125.09615	2.2
137.09590	2.2
139.11179	33.7
151.11182	4.8
153.09082	4.4
163.03920	3.3
163.06007	3.0
171.10179	31.7
172.10522	3.1
176.18774	1.9
177.12758	8.7
183.01164	13.2
183.10146	4.4
193.07095	11.5
197.02701	27.0
197.11723	4.7
198.03314	2.3
209.11720	6.7
211.04265	3.3
235.05994	2.3
266.72751	2.7
275.20206	11.1
293.21149	16.2
295.09695	2.2
307.19250	4.3
307.22763	21.7
308.23083	2.1
310.11945	2.7
325.11340	5.6
325.18369	90.3
325.23801	100.0
326.18878	6.2
326.24243	11.1
326.27896	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2175
Annotation	2,3-Dinor-8-iso prostaglandin F1alpha
Peak:m/z	Relative Intensity
57.03307	13.3
59.01243	57.6
71.01265	19.2
71.22532	17.8
73.02818	9.7
83.01246	24.4
83.04894	26.1
85.02829	11.3
89.02303	21.0
95.04878	13.8
95.70618	11.6
97.02853	10.1
97.06454	11.3
101.02297	14.7
107.91582	7.8
113.02366	9.9
117.57729	8.2
119.03362	10.8
121.02812	13.1
123.04382	16.6
123.08041	11.0
125.09584	35.4
139.11133	23.6
155.10658	18.0
163.11205	14.1
165.07558	15.9
165.12740	28.7
167.10652	33.6
171.10146	25.5
173.11664	9.3
181.12273	12.5
185.11713	17.4
197.11792	12.0
209.11766	66.2
247.20551	23.5
247.76984	10.4
271.82440	9.5
291.19604	41.7
309.20450	16.3
327.08844	10.6
327.12668	19.2
327.21756	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.202
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89880	14.0
53.48090	17.1
57.03317	17.5
59.01240	40.9
70.52500	29.9
70.52872	26.6
72.06046	17.3
81.03317	17.5
82.54730	15.6
83.01265	24.8
83.04903	30.5
97.06472	43.4
109.81116	14.0
109.81923	14.1
123.04391	26.3
123.08060	24.2
125.09621	66.4
137.09642	17.7
163.11154	34.3
165.12781	36.8
167.10695	34.1
171.10263	24.0
181.12413	17.2
185.11765	45.8
188.04544	13.6
192.10826	13.7
197.11786	18.0
199.13290	19.0
207.10156	42.1
209.11691	100.0
243.12164	26.1
261.90463	15.0
302.88083	16.3
307.19003	39.7
325.20126	32.6
325.27167	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	325.2171
Annotation	12alpha-Methylpregna-4,9(11)-diene-3,20-dione
Peak:m/z	Relative Intensity
59.01242	3.2
71.01279	1.1
71.05515	3.1
87.87244	1.4
125.83775	0.9
149.09619	94.2
150.09979	4.3
163.11198	100.0
164.11548	5.5
166.17038	1.0
166.53671	1.1
183.01149	27.5
184.01772	2.2
193.07045	2.2
197.02740	2.5
209.11876	1.8
216.00977	1.5
225.96855	1.1
255.23317	1.2
307.19116	1.5
325.11264	2.2
325.18353	50.9
325.21744	93.6
326.18655	5.2
326.22070	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2019
Annotation	2,3-Dinor-8-iso prostaglandin F2alpha
Peak:m/z	Relative Intensity
59.01247	1.9
66.33567	1.0
71.00223	2.3
71.01230	1.3
73.02813	1.7
75.70179	1.1
77.84332	0.9
80.02572	1.1
81.03322	1.6
83.04889	5.7
84.02038	1.4
97.06459	1.7
98.19946	1.3
115.07538	7.6
125.09606	3.0
127.07507	1.2
135.08080	1.4
137.09575	2.8
144.07234	1.0
155.10681	9.0
163.11244	7.3
165.12787	3.1
171.10147	1.2
178.09868	3.6
187.15611	1.3
191.10730	1.8
207.10210	2.2
209.11765	93.1
210.12093	3.3
236.10635	1.3
245.19110	1.6
279.19611	1.9
289.18033	3.7
290.18475	1.0
307.19131	100.0
308.19562	7.5
325.20197	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51180	1.4
57.03331	10.3
57.39205	1.6
58.00460	1.6
59.01247	4.9
67.84898	1.5
69.03323	4.5
69.26123	15.6
69.26509	1.9
71.01259	5.8
71.04902	9.2
80.02554	2.5
81.03323	2.1
83.04898	5.1
84.02047	2.8
85.02814	2.2
85.06476	3.8
87.04369	3.7
91.05403	2.9
95.04905	3.0
97.02828	5.9
97.06470	5.6
98.20630	2.6
107.04921	2.8
109.06477	30.6
111.08047	3.4
123.08052	1.9
125.05965	4.7
125.09628	2.8
127.07520	3.2
127.11163	2.8
137.09598	3.0
148.53522	1.7
151.11160	3.5
153.12746	2.5
167.10681	2.6
169.12291	6.3
171.10162	1.9
173.78668	1.7
181.12279	4.2
183.13829	5.0
193.12267	3.8
197.11758	52.8
198.12180	2.6
199.13351	5.6
201.11249	11.9
209.11769	2.1
211.13361	37.6
212.13683	1.8
213.11206	4.0
219.13869	2.8
227.12851	3.7
235.13399	4.6
237.14993	12.8
249.14928	2.6
289.18164	10.4
307.19186	8.2
316.10458	1.8
325.20215	100.0
326.20615	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	325.2018
Annotation	2,3-Dinor-8-iso prostaglandin F2alpha
Peak:m/z	Relative Intensity
57.03318	5.6
59.01240	12.8
68.38632	1.8
69.03317	2.1
71.01247	8.0
73.02815	2.4
77.68184	1.9
80.02551	4.0
81.03333	3.0
82.09496	2.0
83.04888	8.4
85.02819	2.9
91.38034	1.7
95.04897	4.2
97.06441	8.9
98.20605	4.0
101.02305	5.2
103.19968	1.7
109.06472	4.6
111.08035	4.3
115.07516	8.0
125.09589	4.7
127.07558	2.2
137.09547	3.0
141.43886	1.8
151.11166	10.2
153.09023	2.9
155.10670	6.7
163.06042	2.2
163.11157	7.3
165.12752	7.9
171.10138	7.3
178.09903	6.2
179.10548	2.7
181.12282	4.4
186.84041	2.6
191.10677	3.5
193.07080	5.6
195.60423	1.7
197.11734	6.3
209.11769	96.8
210.12300	2.3
227.12721	3.6
229.39014	3.3
279.19711	2.9
289.18115	5.7
307.19125	100.0
308.19501	10.0
318.34088	1.9
325.11237	5.2
325.20267	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	325.2019
Annotation	2,3-Dinor-8-iso prostaglandin F2alpha
Peak:m/z	Relative Intensity
52.92507	0.8
56.59927	0.9
57.03320	2.9
59.01253	8.1
62.66599	0.9
70.81985	2.7
71.01239	2.4
71.04897	1.0
73.02814	2.2
80.02574	1.5
81.03328	2.7
83.04894	6.9
84.02019	1.3
85.02817	1.4
92.35809	0.9
95.04939	1.6
97.06448	2.0
99.04440	0.9
99.08018	1.0
101.02317	2.8
109.06485	1.3
113.02332	1.1
115.07549	6.9
115.08278	1.4
123.08063	1.1
125.09659	6.2
127.11182	1.2
130.26346	1.2
131.42447	1.1
135.08066	1.6
137.09624	2.5
141.43884	1.1
149.05861	0.9
153.09116	2.0
153.26680	0.9
155.10690	8.9
163.06113	1.3
163.11160	7.8
165.12733	3.9
171.10164	1.6
178.09862	4.3
179.10684	1.1
181.12250	1.2
185.11755	1.5
191.10649	2.8
193.07085	3.6
197.11766	2.1
207.10245	1.2
209.11774	94.1
210.12062	4.8
215.12814	3.3
217.15871	6.6
236.10535	1.6
263.20114	1.4
265.18250	0.9
275.20340	1.4
279.19623	2.6
281.21262	1.4
281.66760	1.1
289.18069	3.3
293.17639	2.6
307.19186	100.0
307.22665	9.2
308.19525	6.8
310.12262	1.2
325.11176	2.2
325.20090	12.3
325.23819	16.0
326.24008	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
57.83982	1.0
59.01231	1.4
69.34510	3.0
69.34924	7.6
71.01246	2.8
71.04889	2.8
72.02049	1.1
73.02796	1.6
75.05781	1.3
81.03314	1.5
83.04887	4.5
84.02052	2.4
85.02798	1.7
95.04913	1.2
97.06496	1.9
99.04378	1.2
99.08007	4.9
105.70934	1.2
115.07507	2.1
125.09608	7.4
127.07539	15.2
127.11195	1.3
135.08043	1.8
139.07536	5.3
151.96017	1.3
153.09109	18.0
155.10672	4.6
163.11201	4.0
165.12720	3.3
169.49991	1.3
171.10187	17.2
178.09914	4.4
181.12395	1.2
185.11790	18.1
191.10658	1.7
191.14249	1.3
197.11775	17.4
209.11771	83.5
210.12082	4.2
210.14151	1.2
227.12910	1.2
236.10617	1.5
238.12111	5.8
245.19066	3.7
250.40733	1.3
256.13123	2.9
265.18015	1.7
279.19666	1.3
281.21091	1.6
289.18146	10.5
297.78345	1.2
307.19119	100.0
308.19501	5.0
325.20184	36.2
326.20398	2.5
330.66837	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	325.2018
Annotation	2,3-Dinor-8-iso prostaglandin F2alpha
Peak:m/z	Relative Intensity
53.19490	1.4
57.03325	14.9
59.01250	22.9
63.53675	1.4
69.16589	11.9
69.17020	5.1
71.01247	8.5
71.04881	3.5
73.02827	2.6
83.04898	3.9
85.02829	5.0
97.06467	3.2
101.02324	6.9
106.04150	1.6
109.06461	8.3
111.04366	2.3
113.02367	1.7
119.04912	1.6
125.09628	4.5
127.07533	3.7
128.07004	2.0
135.07977	1.5
135.21272	1.3
137.09628	2.0
139.11186	1.7
149.09625	2.5
150.72943	1.6
153.09137	5.7
160.85767	1.5
163.11124	2.4
165.12720	1.7
167.10663	6.6
171.10153	9.3
179.10753	2.3
179.14145	1.8
185.11829	3.7
193.07104	10.3
193.15810	2.0
195.13837	6.9
197.11754	2.4
209.11732	12.7
227.12715	1.7
237.14937	100.0
238.15268	5.1
245.19087	3.3
282.20721	2.8
289.18085	74.0
290.18512	4.4
307.19211	23.6
308.19376	2.1
325.07526	2.8
325.11246	7.2
325.14679	2.7
325.20465	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	323.2228
Annotation	Annosquamosin G
Peak:m/z	Relative Intensity
57.03320	2.8
59.01254	17.8
66.63202	1.5
69.03347	2.1
70.10060	4.8
71.01267	5.9
71.04893	7.7
73.02811	2.1
75.55300	1.1
81.03340	3.2
83.04892	3.4
85.02815	4.8
87.00736	1.4
89.02296	3.2
91.47226	1.2
93.03335	2.1
93.06995	1.9
95.04911	4.8
97.06460	4.0
98.20518	1.3
101.02314	2.6
107.04885	3.2
109.06474	2.7
111.04409	2.6
111.08044	4.1
113.02325	3.6
113.09584	1.8
115.07561	6.5
119.08537	4.3
121.10131	12.0
123.08070	3.0
125.09627	8.7
127.07494	2.9
135.07996	2.2
137.09624	16.1
149.09616	5.7
151.03885	2.0
151.11165	7.0
153.09187	1.6
161.04462	2.5
163.11230	3.8
171.10155	15.5
172.10608	1.4
177.12778	5.9
179.14307	1.6
185.11740	16.0
189.09059	1.5
193.12270	1.8
195.13835	2.6
197.11707	5.1
199.13388	2.5
207.10202	6.9
209.11815	8.2
211.13335	3.0
215.12769	1.5
217.15939	2.1
221.11707	3.2
223.13409	2.0
225.11267	8.8
225.14914	3.1
227.12823	5.3
229.19580	1.9
233.15437	1.6
238.12146	2.0
247.20558	1.8
253.14473	3.8
254.11539	1.7
261.18524	1.8
265.18088	3.2
273.18625	5.2
279.19681	8.0
287.16443	2.3
291.19684	99.1
292.20001	8.8
305.17648	7.8
305.21222	35.4
306.21484	2.9
308.10574	1.7
323.09753	2.1
323.18811	6.0
323.22263	100.0
324.22537	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2591
Annotation	(plusmn)15-HEDE
Peak:m/z	Relative Intensity
51.19670	0.6
57.03333	0.8
59.01252	11.5
71.01256	4.3
85.02795	1.9
85.18731	0.7
87.00780	1.1
89.02316	1.4
93.73419	0.7
94.98173	0.7
101.02306	1.8
108.60045	0.7
113.02313	2.7
113.09591	2.3
137.09612	1.7
155.21577	0.9
161.04456	2.1
199.13330	1.4
207.17485	1.8
209.11761	1.8
223.16998	16.2
224.17328	0.8
265.08667	1.3
305.17569	0.9
305.24863	21.1
306.25195	2.0
308.10614	1.1
323.09671	1.7
323.25888	100.0
324.26279	8.9
332.63449	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.093
Annotation	4'-O-beta-D-Glucosyl-cis-p-coumarate
Peak:m/z	Relative Intensity
69.67179	3.6
79.34552	0.6
93.03337	1.0
98.20497	1.1
119.04920	92.9
120.05256	3.4
120.66073	0.6
161.50940	0.6
163.03925	100.0
164.04265	4.4
193.88968	0.6
318.20740	0.6
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	Unknow
Peak:m/z	Relative Intensity
50.37067	0.4
51.64865	0.4
55.05580	0.5
59.01247	2.0
69.63347	0.4
71.01266	1.1
71.36990	0.5
71.37334	0.4
77.03151	0.4
85.78918	0.4
101.02332	0.7
102.80807	0.4
107.67170	0.5
112.72748	0.5
119.04920	100.0
120.05244	4.3
135.58342	0.5
145.02892	1.1
163.03926	71.7
164.04268	4.0
189.96239	0.4
193.07166	1.0
212.86453	0.5
218.86659	0.5
244.33237	0.5
263.12189	0.5
272.30539	0.5
325.14340	0.5
349.62170	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2022
Annotation	2,3-Dinor-8-iso prostaglandin F2alpha
Peak:m/z	Relative Intensity
55.18513	2.8
57.03327	6.8
57.40382	3.2
58.00465	3.9
59.01247	26.2
59.77686	2.6
69.03321	3.9
69.94871	14.5
71.01257	18.4
71.08508	2.5
71.28781	2.4
72.76913	3.1
73.02831	5.8
73.72034	2.8
75.34538	2.8
83.04930	9.6
84.02040	4.5
85.02841	7.8
85.72066	2.5
89.02357	3.3
90.91685	2.9
97.06461	7.1
101.02326	9.0
111.08036	24.4
115.07507	4.2
119.04969	3.5
123.08024	7.9
125.09616	12.9
127.07541	12.0
127.11207	3.3
135.08066	5.5
137.09590	4.0
139.11218	3.3
143.73106	3.1
151.11162	6.3
153.09129	10.6
155.10638	6.4
157.08601	3.3
163.03923	3.1
163.11232	4.4
165.12843	3.9
167.10696	7.3
171.10187	43.2
176.28999	2.9
183.01198	7.7
183.10234	3.8
183.13579	3.0
185.11774	42.8
192.78886	2.8
193.07130	13.0
195.10127	4.8
197.11758	30.1
199.13417	5.2
201.11288	43.3
209.11774	48.9
211.13554	3.2
213.11282	11.9
227.12886	10.6
229.92159	2.9
237.14931	3.6
245.19133	9.1
249.15051	2.9
289.18069	17.7
307.19138	85.8
308.19565	9.1
325.11469	4.9
325.14780	12.4
325.20248	100.0
325.24121	7.1
326.20557	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	323.1864
Annotation	Albocycline M-7
Peak:m/z	Relative Intensity
50.19437	2.3
50.35635	2.7
50.52804	2.4
55.01752	3.4
57.03324	15.7
59.01253	12.0
69.03326	3.7
70.82663	5.9
71.01269	6.9
71.04897	16.9
80.02550	3.3
81.03329	5.8
83.01269	19.5
83.04893	15.1
84.44425	2.2
85.02829	4.0
85.06499	2.6
89.74837	2.5
93.03360	3.4
95.04899	28.6
97.02819	3.0
97.06480	17.7
99.04432	2.9
101.05972	4.4
106.04110	3.6
107.04888	2.7
109.02879	2.8
109.06465	10.4
111.04425	4.7
111.08082	3.5
113.05964	6.5
121.06448	4.4
123.04451	4.7
123.08018	5.4
125.09624	16.6
135.08054	15.6
137.05963	2.4
139.30034	2.4
141.12796	2.8
149.09613	4.6
151.11180	6.9
153.09131	3.8
161.09613	2.6
163.11230	11.4
165.09120	3.1
165.12750	15.1
177.12813	3.3
179.10732	6.0
181.12279	19.9
185.11745	18.1
187.14824	2.4
189.12778	5.9
191.10751	9.5
195.13860	3.6
203.10779	4.5
203.14409	11.6
207.10161	6.1
209.11778	100.0
210.12071	4.7
211.13371	5.1
217.48769	3.0
221.11775	3.2
223.13310	2.8
225.11246	4.2
233.11717	3.4
237.14948	42.6
243.17572	11.4
247.13333	6.8
249.14934	3.8
265.14401	20.0
277.17969	3.6
279.19409	2.9
287.16562	24.4
305.17618	41.1
306.17862	3.8
323.18640	36.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42151	1.2
52.91536	1.2
57.03300	1.5
59.01256	20.5
67.91097	1.2
69.03324	16.5
70.99421	2.9
71.01259	11.3
71.04899	4.5
72.99193	1.4
81.03322	1.7
83.01295	1.3
83.04877	2.0
85.02853	3.5
89.02322	4.3
95.01283	1.9
95.04905	3.6
97.02836	13.0
97.06477	2.6
99.00738	1.4
101.02321	4.5
107.04891	2.0
109.06505	2.0
109.34070	1.3
110.03625	3.0
111.04420	1.3
111.08049	1.5
113.02328	5.5
119.03326	1.8
121.84701	1.3
123.04418	3.1
123.08042	5.4
125.02332	1.4
125.09605	5.4
135.11691	1.8
136.05197	6.6
137.05916	1.2
137.09618	10.4
141.74324	1.3
142.02637	3.9
149.05969	4.2
149.09637	2.1
151.11198	5.9
153.12794	3.3
161.04553	2.2
161.09679	7.4
169.12257	1.9
171.10191	6.9
177.09138	1.7
177.12790	1.4
179.10686	50.4
180.11055	3.2
181.12288	1.6
197.11765	100.0
198.12112	5.7
205.08682	6.9
208.97188	1.4
209.11765	4.3
213.14915	2.5
223.09705	54.5
224.10132	1.9
225.11432	1.5
235.13283	1.4
241.10780	58.7
242.11168	3.7
251.43161	1.4
265.08701	3.5
273.18576	3.8
276.72958	1.3
291.19687	8.9
293.08322	2.5
295.22791	1.4
299.64526	1.4
305.17667	4.3
305.21194	34.6
306.21414	2.5
308.10565	4.4
323.09802	3.5
323.13107	3.2
323.18530	18.8
323.22287	30.8
324.19101	2.3
324.22601	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	323.1863
Annotation	Hynapene A
Peak:m/z	Relative Intensity
57.03322	3.5
59.01249	24.2
69.39099	1.8
71.01242	5.9
71.04886	2.0
71.30916	3.5
80.02536	4.2
81.03323	2.3
83.04899	4.5
85.02831	3.6
87.00768	2.4
88.89964	1.7
89.02312	3.3
95.04913	4.3
97.02830	4.4
97.06467	56.0
97.67092	1.7
98.06837	2.9
101.02327	2.9
109.06475	39.1
113.02330	6.8
120.05675	4.3
123.08027	8.2
125.09612	48.5
135.08025	21.6
149.09596	2.3
153.09094	2.6
161.04613	3.5
161.05978	32.7
163.11186	7.8
169.08719	2.1
171.10155	5.2
181.12250	4.6
185.11743	6.2
207.10150	22.6
209.11662	11.2
217.15898	2.4
223.13229	1.9
225.11278	18.5
235.13293	2.0
243.17442	4.8
247.13396	2.5
261.14862	2.6
261.18564	5.7
277.18146	4.6
279.15994	66.4
280.16293	4.2
281.28168	2.0
287.16556	19.6
305.17575	100.0
306.17877	8.4
323.09113	2.3
323.18573	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	323.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
58.95253	1.2
59.01251	100.0
60.01587	1.5
70.35948	1.8
71.01255	8.4
73.02806	2.2
75.70899	1.1
85.02837	4.4
86.01774	1.3
89.02338	3.1
98.20247	2.3
101.02327	4.1
106.24586	1.2
113.02332	4.3
120.40456	1.0
150.05630	1.2
161.04465	5.6
217.73888	1.1
263.11310	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05333	1.2
58.00463	2.5
59.01250	77.7
69.51845	2.3
69.52257	5.4
71.01254	48.3
72.99178	4.4
73.02811	1.5
83.01257	1.9
85.02815	8.5
87.00734	1.9
89.02316	47.5
90.90013	1.1
94.10028	1.0
95.01257	4.1
101.02316	30.0
112.98657	1.6
113.02326	16.5
119.03384	27.0
120.03689	1.0
131.03413	1.8
143.03369	2.6
143.07031	1.2
151.03934	1.9
161.04466	2.2
161.08105	2.2
177.01830	1.6
179.05540	3.0
195.02953	1.0
200.48032	1.1
202.39349	1.1
209.08061	2.8
286.64548	1.0
323.13455	100.0
324.13855	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	323.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44639	0.8
57.03307	1.9
57.56420	0.9
59.01245	1.8
68.27709	0.9
70.99747	2.2
71.04897	1.4
80.02548	2.0
81.03354	2.7
83.04906	7.5
84.02045	1.0
85.05464	0.9
95.04897	1.7
97.02865	1.2
97.06464	2.5
99.04391	1.4
106.04137	1.1
107.04913	14.9
109.06473	2.8
110.03633	0.9
116.90662	0.8
121.02755	1.3
123.04433	1.9
123.08030	2.1
125.02325	2.6
125.05972	2.9
125.09611	7.2
135.08069	7.1
147.04401	1.2
153.09125	13.0
163.11188	8.5
165.12764	3.2
176.08347	3.5
178.09897	3.8
181.12306	1.9
185.11742	4.1
191.10696	1.0
197.11772	12.7
207.10197	7.6
209.11777	100.0
210.12138	5.8
225.11215	5.3
236.10513	3.4
243.17505	2.5
245.15511	1.6
261.18604	6.7
275.03189	0.8
277.18048	1.1
279.19583	3.0
287.16553	11.5
305.17587	97.7
306.17935	10.4
323.18661	15.9
324.19089	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1706
Annotation	alpha-Zearalanol
Peak:m/z	Relative Intensity
57.03331	1.5
59.01248	5.8
70.48904	0.6
71.01234	0.8
71.49522	1.0
73.02828	0.7
79.95572	1.6
81.03329	1.0
83.04893	0.8
83.67841	0.7
85.02827	0.8
93.03372	1.6
95.04896	1.5
96.95895	0.9
97.02845	1.0
97.06447	2.1
99.00718	0.6
107.04919	1.0
107.08525	0.9
109.06467	1.9
121.02826	3.1
121.06515	1.1
122.03627	8.0
123.04397	1.8
123.08028	2.6
125.09610	7.4
133.06485	3.3
135.04411	5.7
136.01563	0.6
136.05208	8.1
137.02341	0.8
137.06010	1.3
141.12743	1.0
149.05969	4.6
149.09567	0.8
150.06779	3.1
151.03909	1.0
151.07553	26.0
152.07881	1.1
159.04398	1.3
162.03087	1.3
163.11201	1.1
164.04675	0.7
168.04158	0.9
174.06792	1.2
177.05482	67.9
178.05795	2.7
185.11751	10.8
192.05711	0.6
197.11746	2.3
207.10172	3.0
209.11765	3.5
225.11250	2.6
253.10516	0.6
259.17020	3.7
261.14996	0.6
275.16510	1.7
277.18100	6.5
285.14969	7.1
303.16022	28.8
304.16327	2.3
321.17010	100.0
322.17416	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	321.2069
Annotation	4alpha-Hydroxy-18-norgrindelic acid
Peak:m/z	Relative Intensity
50.45147	0.6
57.03329	0.8
59.01252	12.9
60.18177	0.6
64.37126	0.6
71.01267	1.5
71.04892	1.7
71.21544	1.4
77.53869	0.6
80.02541	0.8
81.03374	0.6
83.04913	1.4
85.02838	1.4
89.12720	0.6
93.03372	0.9
95.01292	2.0
95.04929	2.6
97.06477	2.3
100.51411	0.6
106.04120	0.9
107.04916	0.6
108.02030	0.7
109.06483	2.3
111.04408	2.1
111.08031	0.7
115.07510	1.0
119.04916	0.9
121.02837	0.9
121.06472	2.1
125.09657	0.8
127.07562	0.9
137.05959	0.7
141.09070	0.7
145.06522	0.8
148.08882	1.4
149.09634	2.6
150.10414	2.5
151.07645	0.8
151.11206	1.7
161.09610	1.0
163.07637	0.9
163.11198	27.4
164.11542	1.7
165.12793	4.3
165.13924	0.6
173.09605	1.2
174.10382	1.0
175.11165	1.2
177.09073	1.5
177.12805	2.3
179.10728	1.2
187.11171	0.6
189.12802	1.9
191.14346	49.5
192.14706	3.5
193.12314	1.5
193.63283	0.7
205.12282	4.5
215.14491	1.3
217.15903	5.8
221.11830	0.9
227.01656	0.6
227.17973	0.8
237.11269	1.3
243.17412	0.9
245.19072	34.9
246.19456	3.4
271.16992	6.5
273.15140	0.7
289.18091	100.0
290.18475	10.0
307.19064	1.1
321.17303	2.1
321.20691	56.7
322.20990	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	322.2023
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
51.87973	0.3
54.76810	0.2
58.02851	2.2
59.01249	0.5
69.85964	1.0
70.15968	0.2
71.01260	0.3
71.35979	0.2
77.41896	0.2
80.02544	0.3
81.03326	0.7
83.04901	0.5
95.04887	0.7
97.06476	0.8
107.04955	0.3
107.05822	0.2
109.06467	0.7
125.05955	0.2
128.10701	7.1
129.11053	0.2
130.08630	100.0
131.08965	3.0
131.09857	0.3
153.09113	0.3
165.12735	1.3
172.09633	0.3
181.12373	0.3
181.78639	0.2
191.05524	0.6
191.10736	0.3
196.87839	0.3
197.11803	0.4
197.68921	0.3
207.10292	0.2
209.11774	2.3
225.61893	0.2
287.16467	0.3
305.17545	1.5
322.20218	30.5
323.20969	2.5
326.94220	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1398
Annotation	Rengyoside B
Peak:m/z	Relative Intensity
55.01752	4.9
57.03313	4.3
59.00962	2.6
59.01250	47.7
62.65866	2.1
71.01254	66.4
71.04878	2.3
71.50082	2.6
71.50784	2.2
72.99162	3.6
73.02820	23.8
83.01265	10.9
85.02827	28.0
87.00739	2.7
89.02317	21.2
95.01279	5.4
96.95899	30.6
99.00761	7.5
101.02322	64.2
111.00791	2.8
113.02322	22.7
119.03392	8.7
120.99493	2.2
127.56516	2.3
129.01794	2.3
139.07518	2.3
143.03455	3.0
157.08649	9.9
159.02910	2.8
161.04474	13.3
179.05515	2.1
275.15067	7.6
319.08401	4.4
319.13977	100.0
320.14212	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	319.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06193	0.4
55.46832	0.4
57.23277	0.4
58.02850	6.5
59.01261	1.0
70.37409	1.9
72.00774	5.1
82.06480	2.6
88.79965	0.4
91.05409	9.5
96.03141	0.5
112.07551	3.4
116.04970	0.6
118.06500	3.6
126.09129	2.0
129.10228	73.9
130.10587	1.4
135.04350	0.8
136.01651	0.5
141.10233	0.7
147.04416	26.3
148.04768	1.3
153.10231	3.6
154.08627	10.3
155.08958	0.7
155.11803	0.7
164.07080	61.0
165.07401	2.2
171.11299	52.4
172.11664	1.9
183.11314	0.6
186.23677	0.5
216.13869	1.4
233.16542	36.7
234.16922	1.9
256.93893	0.5
258.14902	0.6
275.17609	6.3
277.15616	3.0
311.59900	0.4
319.16599	100.0
320.16904	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21998	0.6
54.86422	0.7
56.12373	0.6
58.19056	0.6
59.01254	100.0
60.01592	1.0
61.97217	0.6
64.91644	0.6
65.39921	0.7
67.09142	0.7
68.99687	0.6
69.35808	5.9
70.02863	1.0
71.01254	5.5
72.80486	0.7
73.02804	0.7
80.45384	0.7
83.01245	0.7
85.02845	1.2
85.67223	0.7
89.02319	6.2
98.20584	1.3
101.02319	5.3
113.02357	2.1
119.03421	2.4
121.70125	0.7
131.40657	0.7
173.04492	0.8
191.05600	1.1
231.07622	0.6
277.11905	1.0
282.65622	0.7
321.15656	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	313.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	3.9
60.55704	0.6
69.03318	3.3
70.47495	1.3
70.47868	1.2
71.01253	3.3
75.00735	1.3
83.04899	0.8
84.02030	2.0
89.02317	1.6
93.03327	0.7
95.04929	3.3
95.05433	0.6
97.02764	0.9
97.06462	17.1
99.04388	1.5
99.08038	0.7
101.02314	1.1
109.06477	2.0
113.02318	1.0
113.14979	0.8
117.28492	0.6
119.59907	0.6
121.02843	28.7
121.06425	0.9
121.10123	1.7
122.03165	1.1
123.08047	0.8
125.05938	1.5
133.02820	1.4
135.04462	0.7
137.09610	1.8
139.11177	1.8
143.07031	13.7
144.07367	0.6
145.02847	1.0
147.08052	1.0
149.09610	2.0
157.08603	1.1
161.02322	3.6
161.04454	0.9
165.09135	9.8
176.70302	0.6
181.06575	1.4
183.10168	5.7
185.74071	0.6
191.05579	0.9
193.08609	0.6
195.10280	0.7
197.11768	27.6
198.12166	1.1
210.08777	1.0
215.12820	10.9
225.05576	2.3
225.11212	1.1
227.03439	0.7
241.09833	1.0
253.09258	1.0
254.07013	1.4
263.16489	3.6
269.09317	9.1
295.19135	1.7
299.01828	1.5
300.80963	0.6
313.03558	2.1
313.07272	4.8
313.20197	100.0
314.04178	0.8
314.07462	1.0
314.20566	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	313.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	4.4
60.66170	0.6
69.03336	3.2
70.91276	1.2
70.91600	0.7
71.01254	3.6
75.00742	4.8
81.03290	0.8
83.04865	1.5
84.02037	7.9
85.02805	0.8
89.02312	1.9
93.03364	0.8
95.04891	2.9
97.02852	2.1
97.06464	12.8
98.64003	0.6
99.04400	2.1
99.08037	0.9
101.02294	1.8
109.06471	2.2
113.02313	1.0
119.08546	0.8
121.02872	0.7
121.10056	1.2
123.08038	1.3
125.05955	2.9
135.04454	0.6
135.08025	1.0
137.09628	1.4
139.11186	0.9
143.07030	31.0
144.07317	1.5
149.09608	2.5
155.10712	1.3
157.08612	1.0
165.09123	7.0
166.09372	0.6
169.81494	0.5
176.05061	0.7
179.03349	0.7
180.00562	0.6
180.92087	0.6
183.10179	7.4
193.08722	1.2
197.11760	20.4
198.12154	0.8
215.12813	9.0
225.11124	2.0
227.07034	0.7
250.16386	0.6
253.09319	1.3
255.23282	2.0
263.16489	2.5
277.17993	1.4
283.06000	0.9
285.04095	0.7
285.12207	0.7
295.19095	1.2
313.03796	1.4
313.11240	2.9
313.20197	100.0
314.20584	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	313.2383
Annotation	(plusmn)12,13-DiHOME
Peak:m/z	Relative Intensity
51.55490	0.3
57.03317	0.6
59.01258	1.7
70.20094	0.7
70.20488	0.7
71.01268	0.5
72.89910	0.3
83.04968	0.3
89.02329	1.1
93.03324	0.3
109.06568	0.3
111.07990	0.3
113.02348	0.6
115.42505	0.3
119.03379	0.4
121.02840	0.8
125.09611	0.9
127.11191	0.9
137.02342	0.3
139.11188	1.3
139.12265	0.3
141.12810	0.6
145.02850	0.5
151.06078	0.4
155.10684	3.0
157.12247	0.3
171.10187	5.0
199.13387	0.6
200.38571	0.3
207.09955	0.5
224.88698	0.3
245.18784	0.4
249.94144	0.3
259.09277	0.3
267.23288	0.7
277.21716	0.6
283.06091	0.5
295.22800	7.0
296.23108	0.8
298.08701	0.3
311.22400	0.7
313.23846	100.0
314.24191	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	315.0723
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
57.48230	0.7
59.01249	1.3
64.91038	0.9
70.88368	0.8
71.01247	3.0
81.03339	1.3
85.02826	2.1
93.03327	1.9
95.01277	1.4
108.02056	100.0
109.02851	37.0
110.03114	0.9
113.02293	1.5
113.97927	0.9
119.04937	0.9
123.04426	2.3
135.04402	1.0
151.03964	2.5
152.01065	64.5
153.01854	38.0
153.03108	2.1
153.05499	1.4
154.02180	1.6
163.03883	1.1
165.01781	1.7
191.05664	1.1
195.02989	1.0
268.26804	0.9
272.94101	0.9
308.41562	0.9
315.07236	78.0
316.07596	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	313.0719
Annotation	Sylpin
Peak:m/z	Relative Intensity
54.45375	0.1
59.01258	0.4
63.13372	0.1
69.74702	0.8
76.61105	0.2
77.03843	0.4
80.63311	0.1
89.02318	0.3
93.03357	0.1
94.13316	0.2
96.35846	0.2
103.72583	0.2
121.02850	100.0
122.03188	3.3
180.05685	0.9
181.06523	4.2
182.06842	0.2
225.05527	6.5
225.74698	0.1
226.05965	0.3
237.52351	0.2
269.08136	0.4
313.07184	12.9
313.23593	0.3
314.07483	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2227
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
51.46544	0.7
59.01237	0.9
68.80064	0.5
69.18790	6.5
69.19180	1.4
78.45599	0.6
84.35807	0.7
94.94707	0.6
97.53305	0.5
100.19279	0.6
125.09640	1.1
127.11148	1.3
129.09059	1.3
141.09032	0.6
153.12743	3.9
169.12180	1.4
181.12263	9.4
197.11830	1.2
199.13225	1.1
206.87788	0.6
220.85141	0.8
228.13652	0.6
249.22028	0.6
262.32016	0.7
265.21735	1.0
293.21219	8.1
303.40921	0.6
311.22263	100.0
312.22629	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	311.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12888	0.5
57.03305	0.8
59.01238	1.1
69.41239	2.5
69.41660	1.2
71.04890	1.0
87.50452	0.4
95.36922	0.5
97.06465	0.9
105.09229	0.4
111.08023	0.9
113.09566	1.5
113.50953	0.5
113.67338	0.5
120.96118	0.4
123.08066	0.6
125.09614	2.7
127.11188	1.1
128.92381	0.4
129.09108	0.5
139.11180	6.3
141.12758	0.7
153.12732	0.5
163.11203	5.9
164.11882	0.6
165.12709	1.2
167.10774	1.1
167.14275	1.1
168.11446	1.9
169.12030	0.5
170.26065	0.4
171.10172	10.1
181.12251	0.9
182.13031	1.3
185.11728	1.0
201.11230	1.1
201.30280	0.5
211.13353	1.3
228.85156	0.5
246.89671	0.5
249.22154	5.5
275.19992	0.9
278.01953	0.5
293.21219	85.8
294.21539	7.1
311.22256	100.0
312.22562	8.3
324.63126	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80160	0.6
57.03309	1.9
58.00454	0.8
59.01239	1.1
68.02467	0.5
70.24735	0.5
70.25072	2.2
83.04873	1.3
99.08035	2.0
111.08035	0.6
113.09571	3.4
119.73331	0.5
127.07573	0.5
129.09114	7.8
139.11163	1.2
149.09529	0.5
151.11179	0.7
151.49409	0.5
152.81802	0.5
155.10548	0.6
167.14375	0.6
169.12271	2.8
170.02272	0.5
171.10144	3.6
175.25621	0.6
181.12231	5.4
183.13820	2.4
185.11713	1.1
193.12234	3.0
197.11769	14.4
199.13321	8.2
211.13318	23.6
212.13730	1.0
249.22267	0.7
265.21729	0.7
275.20148	2.2
293.21225	19.3
294.21500	2.2
311.22256	100.0
312.22574	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	311.2226
Annotation	12,13-Epoxy-9-hydroxy-10-octadecenoate
Peak:m/z	Relative Intensity
54.60226	1.2
57.03313	5.1
59.01250	5.9
65.11797	1.2
67.07016	1.2
69.79467	4.0
69.79877	3.0
70.07954	1.1
83.02664	1.1
97.06449	4.8
109.06466	1.2
113.09601	13.6
119.08575	2.5
127.11250	1.9
137.09584	1.7
138.09962	2.7
138.12701	1.3
139.11182	47.8
140.11473	1.8
167.10664	2.8
170.38898	1.2
171.10179	60.7
172.10509	10.6
173.10698	8.8
179.10565	1.5
181.12288	1.8
183.13774	1.3
186.12050	1.3
187.12289	2.2
195.13855	2.1
197.11726	2.0
199.12268	1.8
202.11642	1.3
211.13322	10.9
223.13438	1.5
254.03113	1.3
275.19858	3.8
280.35254	1.3
293.21219	100.0
294.21521	8.5
311.17981	2.0
311.22180	39.7
312.16327	1.6
312.22675	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	311.1684
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	0.9
69.38284	0.6
69.38682	1.5
70.59944	0.2
71.44521	0.3
79.82972	0.2
79.95585	1.3
82.34122	0.2
84.92313	0.2
88.42441	0.2
96.95877	0.6
98.20613	0.5
98.95471	2.3
98.96096	0.3
98.96275	0.3
119.04913	0.9
146.35329	0.2
158.85403	0.2
170.00336	1.7
183.01131	50.9
184.01643	2.2
197.02725	2.9
198.03462	0.8
216.00914	1.4
225.05833	0.6
230.02605	0.6
233.74252	0.3
239.07310	0.9
253.08997	0.3
256.64249	0.2
311.16849	100.0
312.17172	6.6
319.84460	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	1.7
59.01231	2.4
71.42830	1.2
71.95901	0.8
74.42535	0.7
83.04854	0.9
96.46568	0.7
99.08037	3.4
113.09587	2.7
127.11121	1.6
127.16512	0.7
128.72293	0.7
129.09117	6.4
139.11208	2.5
145.72917	0.8
155.10669	1.5
167.10675	1.4
169.12273	1.5
171.10164	2.3
181.12263	6.1
183.10233	0.8
183.13782	3.3
193.12256	1.9
195.13847	0.8
197.11769	7.0
199.13290	2.7
211.13327	18.9
212.13611	1.3
226.97704	0.9
227.12816	0.9
227.99858	0.8
236.16432	0.8
249.22130	0.9
263.59085	0.8
275.20108	1.0
293.21188	27.1
294.21637	2.4
311.22256	100.0
312.22592	7.6
320.57489	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31734	0.7
57.03315	2.9
57.62611	0.7
59.01258	1.7
69.03331	0.7
70.17551	2.8
71.04285	0.7
83.04891	0.8
94.16072	0.7
99.08051	4.2
111.08057	1.2
113.09634	5.7
115.95341	0.6
121.37373	0.6
125.09621	0.7
129.09114	8.9
149.09634	0.7
153.12773	1.6
156.31636	0.6
163.11139	0.9
167.10693	1.1
169.12259	4.0
171.10201	1.1
179.10709	0.8
181.12283	7.8
183.13852	3.8
193.12274	2.8
197.11760	13.5
199.13358	7.0
211.13341	23.9
212.13727	1.3
265.21707	1.3
275.20078	1.6
282.10638	0.6
293.21262	18.3
294.21597	1.6
301.52252	0.7
311.22269	100.0
312.22629	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61687	0.9
58.00457	2.2
59.01249	1.4
66.04366	0.9
70.52809	3.0
72.57687	0.9
73.43147	0.9
77.15097	0.9
83.04922	1.2
93.98278	0.9
97.06472	1.1
109.06483	1.3
111.08037	30.1
111.08807	1.6
112.08379	1.1
116.06068	1.1
127.07566	1.6
153.12714	1.8
169.12253	5.9
181.12244	2.7
183.13770	2.3
197.11754	100.0
197.97289	1.0
198.12061	5.0
199.13342	4.9
211.13309	11.8
211.15219	1.4
227.12805	2.4
263.20145	8.3
265.18036	1.4
271.37833	0.9
273.18530	2.2
291.19626	20.2
300.76138	1.2
309.20688	29.0
310.20947	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	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	0.8
58.82175	0.5
59.01250	0.9
60.50438	0.5
65.90108	0.5
71.08495	1.1
83.04878	0.6
83.67640	0.7
109.06495	1.2
111.08032	2.4
111.39345	0.6
116.42761	0.6
125.09566	0.7
127.11153	2.1
136.33185	0.5
151.11201	1.1
153.09036	1.3
153.12750	5.5
155.10681	1.6
166.60817	0.5
167.10701	1.5
169.12212	0.7
179.10628	0.8
179.14362	1.7
181.12286	4.2
197.11812	4.5
199.13321	2.3
207.13792	2.8
215.12891	1.2
226.11993	0.8
227.12772	1.6
228.13623	1.1
247.20609	6.0
257.40591	0.6
263.20007	0.9
265.21799	0.7
273.18616	2.5
281.21191	1.8
291.19644	37.1
292.19992	2.8
309.20700	100.0
310.21039	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51028	0.9
57.03308	3.7
59.01243	6.7
65.23170	0.7
67.01712	0.7
69.03320	0.9
71.01269	0.9
71.04891	17.9
80.57087	0.8
81.03323	1.3
83.04903	1.5
87.38928	0.9
95.04903	2.7
96.07432	0.7
97.06459	6.3
101.40781	0.8
107.04887	2.1
111.08028	1.9
119.08559	1.6
121.06425	1.0
121.10114	11.5
123.04423	1.2
123.08022	2.1
125.09612	10.0
135.08101	1.4
137.09621	23.3
137.60567	0.8
138.09932	1.1
139.11201	1.1
141.12750	2.0
147.08116	0.9
163.14774	1.1
171.10176	41.9
172.10480	2.3
181.12227	1.3
181.75870	0.8
185.11766	15.1
185.13342	0.5
195.13838	1.0
197.11807	6.1
203.25681	0.9
209.11726	3.1
209.15408	1.0
211.13333	1.6
217.15988	0.9
219.13831	2.3
235.17065	1.9
236.01642	0.9
237.14938	3.2
247.20654	1.7
251.16501	40.2
252.16803	2.1
265.07449	1.1
266.02258	1.4
273.18417	1.3
291.19647	100.0
292.19968	8.2
309.04047	2.4
309.10214	2.2
309.17569	2.9
309.20682	84.7
310.21078	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	311.0985
Annotation	Vicianose
Peak:m/z	Relative Intensity
51.76447	5.6
59.01251	100.0
63.55481	5.9
69.03307	6.2
70.49198	14.4
70.49590	13.3
71.01253	74.7
85.02806	6.3
87.00755	8.4
89.02314	72.6
98.19907	6.6
99.00801	9.0
101.02319	46.5
103.01694	5.5
131.03418	21.9
135.04419	11.8
138.05481	16.4
149.04451	23.9
162.02840	6.3
164.07140	7.4
166.57504	6.7
191.05548	18.4
208.06105	14.5
240.18431	5.9
311.05823	7.5
312.11761	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	311.0984
Annotation	Vicianose
Peak:m/z	Relative Intensity
59.01252	80.0
69.40456	10.2
69.40863	26.8
71.01253	50.1
72.59569	4.9
73.02831	21.0
89.02319	100.0
99.00761	44.6
101.02325	38.6
113.02331	5.5
119.69859	4.5
125.83654	5.2
131.03413	14.6
148.24564	4.4
149.04433	23.4
150.66469	5.1
170.56703	5.2
191.05492	11.9
206.16325	5.2
219.75685	4.8
224.04494	4.7
249.41463	5.4
285.84512	4.8
311.09741	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	309.2072
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
57.03321	2.4
59.01236	5.0
63.00597	1.6
63.52946	1.8
69.03332	1.7
70.37598	7.2
71.04878	6.0
82.95625	1.9
85.02864	1.9
87.04369	3.6
97.06470	4.2
121.10104	7.7
123.07989	2.8
125.09611	5.5
128.93645	1.8
139.48289	1.8
155.00525	1.8
155.73598	2.0
165.12906	1.9
171.10240	2.4
180.49550	2.4
185.11743	6.6
195.13867	14.7
207.13895	3.2
207.17509	4.7
209.15433	2.5
211.13344	39.3
212.13666	2.5
221.15411	7.4
223.17001	25.5
224.17413	2.8
233.15501	13.5
234.15790	2.2
235.17104	3.1
247.20712	3.1
251.16528	100.0
252.16884	8.6
273.18686	4.7
291.19644	82.1
292.20038	6.5
309.20721	99.3
310.21042	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	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	1.3
59.01227	1.5
64.52088	0.8
69.03329	1.1
70.36899	3.4
71.04884	1.5
74.06803	0.7
75.06647	0.9
83.04848	0.9
97.02811	1.8
97.06480	1.4
98.03602	1.3
109.06451	1.3
111.08039	9.2
112.08401	0.9
123.04357	1.0
123.07996	1.2
125.09595	1.8
127.07499	1.6
132.06898	0.7
137.09608	2.0
139.33337	0.8
143.62708	0.8
151.03841	2.5
151.07620	4.1
151.08664	0.8
152.08305	5.6
153.12680	1.4
163.11195	5.2
165.12766	8.1
166.09836	1.1
167.06963	0.9
169.12245	1.5
171.10139	3.2
179.14281	2.1
181.12239	4.0
183.13770	1.2
185.11548	1.0
193.12086	1.1
193.15836	2.4
195.13870	1.2
197.09988	1.6
197.11743	25.3
198.12006	1.1
209.11606	1.3
209.15353	7.0
211.13333	4.2
223.13338	3.5
227.12907	1.0
245.53075	0.8
247.20627	7.2
248.20767	0.9
252.09885	1.0
263.20053	2.4
265.17813	1.6
272.14215	1.0
273.18643	2.0
291.19647	100.0
292.20035	9.3
305.31226	0.9
309.17026	15.2
309.20630	92.7
310.17642	2.0
310.20908	8.3
333.07031	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.207
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
55.01743	1.4
57.03299	1.5
59.01235	1.9
65.41147	1.3
65.51121	1.2
69.03335	1.3
71.01247	1.7
71.27734	3.0
72.55272	1.2
78.36689	1.0
80.02555	1.9
81.03331	2.5
83.01273	9.6
83.04888	6.4
97.06453	3.7
98.03580	1.6
113.09623	1.2
123.04424	2.3
123.08022	3.7
125.05967	2.0
125.09597	8.7
135.07997	1.6
139.11200	11.3
149.09555	1.3
151.07579	1.2
151.11276	1.4
161.09563	1.5
163.11134	8.7
165.12793	13.1
167.10683	4.8
171.10130	2.7
177.21205	1.3
181.12224	4.8
183.13857	1.9
184.53244	1.3
185.11449	1.3
191.10669	4.1
193.15924	4.6
197.11729	2.2
207.10184	2.2
209.11763	47.8
210.12080	2.4
221.77220	1.5
247.20627	15.3
265.21686	2.6
273.18607	4.6
281.21161	2.6
291.19653	100.0
292.20056	10.3
309.17276	1.1
309.20654	29.8
310.20956	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.207
Annotation	12S,13S-Epoxy-9S-hydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
57.03318	26.2
59.01252	9.7
59.88486	1.0
62.41362	1.1
69.03314	5.3
69.18106	1.1
71.01250	13.5
71.06087	3.6
75.77251	1.2
80.02526	3.6
81.03329	1.9
83.04903	7.3
93.03345	2.7
95.04886	6.0
96.95891	6.7
97.06468	7.0
107.04893	2.2
109.06454	2.6
111.08033	11.9
113.09592	15.1
115.32745	1.2
123.08026	2.2
125.09608	4.6
127.11100	1.8
134.03616	1.4
137.09625	1.9
139.11180	3.8
147.11676	1.6
149.09630	2.7
151.03917	3.0
151.07529	7.2
151.11185	43.3
152.08334	3.4
152.11536	1.9
153.12726	3.3
155.10657	2.4
163.11154	3.7
165.12750	36.9
166.13042	2.1
167.10677	4.4
177.09198	1.3
179.10683	11.1
179.14320	2.9
180.10866	1.5
181.12263	44.0
182.12552	2.7
191.10693	21.8
193.15936	2.8
195.10135	3.3
197.11761	8.8
209.11757	100.0
209.15369	7.6
210.12100	5.2
211.13290	12.5
225.11211	1.4
227.12868	2.6
229.19522	1.3
247.20622	14.6
252.09979	2.5
263.20172	6.6
265.21722	7.8
266.02155	2.8
273.18643	3.7
281.21210	5.8
281.67627	1.3
291.19656	39.6
292.19974	3.1
294.01660	2.3
309.04297	7.0
309.11829	1.9
309.17078	17.9
309.20679	48.5
310.17645	2.0
310.21027	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	2.5
58.00466	2.3
59.01240	4.8
61.92862	1.6
69.03320	6.3
69.86794	10.0
71.04900	2.4
93.06972	1.9
96.77274	1.6
98.19930	1.9
111.08051	10.1
118.20051	2.0
119.08543	12.9
121.10130	3.8
123.07973	2.2
125.09579	7.8
127.11166	4.8
137.09607	33.2
155.10677	5.0
158.79773	1.7
165.12766	2.6
167.10695	4.5
171.10178	100.0
172.10493	5.0
183.10214	4.3
185.11765	29.7
186.12071	2.8
195.10255	3.1
197.11758	30.4
201.05435	1.8
201.11232	7.6
209.15292	3.3
211.13295	5.9
213.11305	9.2
229.19456	3.1
247.20627	3.9
263.20297	3.2
273.18625	8.0
291.19647	55.5
292.19965	5.9
309.17340	3.8
309.20679	50.9
310.20877	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	309.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	1.0
58.00484	1.2
59.01245	1.2
70.27093	1.9
70.27475	2.7
82.06855	1.0
85.77061	1.1
109.06450	2.0
111.08035	37.6
111.31956	0.9
127.07513	3.1
151.11159	1.6
153.12698	1.3
169.12253	5.7
174.75453	1.1
181.12213	1.7
197.11760	100.0
198.12093	5.6
199.13344	3.0
211.13351	9.6
227.12830	3.5
258.86304	1.1
263.20245	5.4
265.17953	2.0
273.18448	1.0
291.19638	20.7
292.20007	2.0
309.20706	39.3
310.21069	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	307.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	2.9
59.01259	10.1
69.03323	1.7
70.25805	4.0
71.01246	7.0
83.04910	1.4
84.35381	1.4
85.02773	2.2
89.02280	1.6
93.42181	1.6
94.13147	1.3
95.04852	2.3
97.02789	1.7
97.06426	2.5
101.02299	3.1
109.06436	3.8
111.00745	1.4
111.08077	1.5
123.07932	1.5
125.09593	3.6
125.10814	1.6
127.11162	2.6
135.04422	1.5
137.09560	1.7
149.09592	2.0
151.11143	4.2
153.09090	2.8
153.12766	2.3
155.10686	9.5
161.04411	2.4
163.06046	1.6
163.11189	2.4
165.09094	1.9
166.09953	1.5
167.10640	2.9
168.11530	2.2
169.12241	3.5
177.12827	3.4
179.10680	2.8
191.14349	9.0
192.14662	1.4
197.11667	2.3
205.12288	2.5
209.11771	2.1
211.13351	1.9
217.15878	1.7
223.02663	2.5
224.10416	1.8
239.09250	2.6
245.19072	30.4
246.19507	2.3
263.20139	7.9
271.16937	2.8
289.18094	47.2
290.18359	4.1
291.09091	4.4
293.03162	2.6
307.10345	5.5
307.19128	100.0
308.19473	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	307.2279
Annotation	Palmityl Trifluoromethyl Ketone
Peak:m/z	Relative Intensity
59.01250	1.2
61.44177	0.4
62.95954	0.5
71.01254	0.5
79.14220	0.4
81.56341	0.4
89.02285	0.4
95.25092	0.5
96.95843	0.9
99.13982	0.4
99.98040	0.4
107.70019	0.4
128.64124	0.4
263.68210	0.5
307.22754	100.0
308.23132	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	309.1189
Annotation	Abealpha1-3Manalpha
Peak:m/z	Relative Intensity
58.00457	2.1
59.01250	72.3
60.54110	1.7
70.36759	5.9
71.01252	31.0
72.99162	1.8
73.02815	2.1
78.55076	1.5
83.01286	1.7
83.04879	2.8
85.02820	7.0
87.00738	1.8
88.22934	1.5
89.02312	32.4
96.95852	2.2
99.00741	2.1
101.02327	23.2
101.05932	2.8
113.01783	1.3
113.02355	14.8
115.00243	3.4
119.03384	13.6
129.05455	10.5
147.06520	5.4
150.05521	4.9
170.79529	1.6
176.32318	1.5
179.05634	2.0
227.13286	1.8
232.34990	1.9
309.11899	100.0
310.12265	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.174
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	2.3
64.96892	1.0
71.08802	1.9
79.95607	9.4
80.96416	0.9
84.94001	0.7
94.98000	0.9
95.95117	2.5
96.95885	85.5
111.08076	0.9
121.31918	0.6
122.97474	2.3
138.96930	0.7
151.03860	1.0
151.07573	0.8
152.08334	0.9
165.12854	0.9
167.10820	0.9
197.11763	3.4
209.15378	0.7
238.02773	1.1
247.20761	1.4
253.39085	0.6
265.17880	0.7
266.02103	0.8
291.19666	7.4
292.19836	0.8
309.04001	2.5
309.17419	100.0
309.20700	11.2
310.17734	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	309.2072
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
51.84182	0.9
57.03312	3.8
59.01250	4.6
61.57344	0.8
65.05862	0.9
71.01257	1.5
71.04890	16.7
71.30571	1.3
83.04901	0.9
93.06976	1.1
95.04920	1.2
95.58154	0.8
97.06487	6.7
100.53236	0.9
105.35585	1.0
107.04876	1.4
119.08558	1.4
121.10122	10.8
123.04443	1.4
123.08036	2.0
125.09618	8.9
127.11196	0.8
135.08063	2.1
137.09608	17.9
138.09953	1.4
141.12708	1.5
147.07993	0.9
171.10178	41.1
172.10547	1.3
185.11768	16.8
197.11723	3.7
207.13855	1.3
209.11781	2.3
211.13275	2.1
219.13860	2.3
235.17001	2.0
237.14920	2.6
247.20650	3.3
251.13882	2.0
251.16505	39.8
252.16788	3.5
273.18564	2.0
291.19659	100.0
292.19992	9.9
309.20697	69.7
310.21158	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02425	1.8
57.03318	5.3
58.26461	2.1
59.01257	5.8
69.03326	1.8
69.44907	1.8
70.03317	9.8
71.24129	2.3
72.31825	1.9
80.02577	2.4
81.03337	6.3
83.01258	6.4
83.04882	3.7
84.95732	1.8
95.04887	4.4
96.57803	1.7
97.02856	4.7
97.06472	11.0
98.19901	2.2
121.06496	3.4
123.04406	9.3
123.08035	2.6
125.09629	18.8
129.99263	2.1
135.08047	3.6
137.09627	12.7
141.12717	2.8
163.07614	3.1
163.11189	19.4
165.12782	3.8
167.83203	2.3
171.10204	2.1
179.10643	3.6
181.12219	4.6
185.11766	24.9
191.10666	2.9
191.14348	22.8
207.10219	10.2
209.11761	34.1
211.13403	2.7
218.60718	2.0
225.11310	10.3
245.19093	44.5
246.19469	4.7
271.17032	3.6
289.18115	100.0
290.18408	12.7
307.19144	59.5
308.19446	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	307.1914
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
50.72303	2.3
51.40748	2.3
55.01765	2.8
57.03323	5.8
59.01239	6.3
65.03831	53.4
67.66109	2.2
68.13077	2.5
69.03320	3.3
71.00003	3.2
71.00316	4.7
71.01241	3.8
71.04885	31.7
81.03347	3.6
83.04906	13.8
86.11044	2.7
90.39835	2.3
93.03334	20.4
97.05884	4.2
97.06471	56.0
106.04121	3.1
107.04935	2.7
109.06475	3.8
109.75565	2.3
109.94840	2.6
117.07011	14.6
119.04948	3.6
119.08560	34.4
120.05698	3.0
121.06484	78.0
123.08028	5.1
125.09609	38.0
133.06546	4.3
135.08049	69.8
136.08386	3.8
137.09566	6.3
138.06726	4.7
141.12817	3.1
155.81779	2.6
163.11084	3.4
165.70782	2.5
169.08717	2.7
171.10182	49.0
171.93161	2.7
181.64111	2.6
185.11763	63.5
187.92023	2.4
191.14339	4.3
205.15866	2.6
209.11758	30.5
210.12352	2.6
211.13332	27.7
221.15388	3.4
227.07478	2.8
233.15395	9.5
235.13358	63.1
235.16988	2.9
236.13696	5.0
245.19139	13.4
249.14926	12.7
271.16928	3.0
279.19598	5.3
289.18134	100.0
290.18372	7.9
307.19141	51.9
308.19321	5.2
319.36850	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1914
Annotation	14,15,-Bisnor-8(17)-labdene-16,19-dioic acid
Peak:m/z	Relative Intensity
53.48446	3.1
55.25032	3.0
57.03316	10.6
59.01241	4.6
67.27125	3.2
71.01247	5.0
71.27862	5.5
71.28207	2.8
97.06473	14.9
109.06474	4.2
111.08045	5.0
137.09563	5.0
149.09628	5.0
151.11172	20.2
153.09094	2.9
155.10666	9.9
161.07112	3.1
163.11215	4.0
165.12770	17.7
177.12750	4.1
178.60349	2.9
179.10672	5.8
181.12285	17.9
191.10704	9.4
191.14380	10.4
195.10434	2.8
197.11728	3.6
205.12383	2.9
209.11758	42.8
211.13289	5.5
239.09248	6.4
245.19080	34.0
260.70966	3.2
263.20181	9.2
289.18127	44.1
290.18332	3.2
307.19128	100.0
308.19437	6.7
311.43634	3.0
312.15817	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	307.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03303	2.4
57.30802	1.1
59.01241	4.5
65.52083	1.0
69.03341	1.0
70.82897	1.4
70.83228	2.3
83.04889	1.8
88.82946	1.2
98.03588	2.1
98.20424	1.2
109.06460	4.2
109.07177	1.2
111.08051	1.8
123.08013	1.5
125.09595	1.5
127.07479	5.8
127.11169	1.9
137.02319	1.2
137.09621	2.0
143.08261	1.2
149.09599	1.5
150.22580	1.3
151.11209	6.0
153.09087	3.4
153.12695	1.7
154.62062	1.1
155.10664	8.0
163.11143	3.2
166.09879	1.2
167.10681	3.3
169.12236	2.3
177.12758	2.9
179.10687	2.0
191.14334	5.2
194.40343	1.0
195.10243	1.3
195.13846	1.6
197.11745	3.0
205.12224	2.0
217.15973	2.2
224.10417	2.3
225.11111	1.5
235.20520	1.5
239.09248	2.7
245.19073	28.4
246.19466	2.0
261.18567	1.2
263.20206	7.4
271.16965	2.9
279.19647	2.6
289.18103	41.7
290.18420	3.9
307.19128	100.0
308.19525	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	307.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03302	3.0
57.46357	1.0
58.78697	0.9
59.01237	3.3
71.37366	1.6
77.10664	1.2
81.03326	3.1
81.14117	1.0
86.83149	1.0
92.46098	0.9
94.06364	1.0
95.04917	1.7
97.02827	3.5
97.06470	2.6
106.04096	1.4
107.04965	1.6
109.06456	1.2
121.06509	2.5
123.04411	4.7
123.08041	1.9
125.09594	5.7
129.16953	1.0
135.08040	2.3
137.05960	1.3
137.09647	6.8
141.12781	1.7
142.02596	1.3
147.07965	1.2
148.19766	0.9
149.05986	3.1
163.11192	9.1
164.11516	1.1
167.48822	1.0
171.10167	1.7
179.10707	1.5
181.12234	2.6
185.11742	14.1
191.14349	13.4
207.10252	7.1
217.15948	2.1
225.11226	6.5
226.11839	1.4
235.20853	1.3
245.19080	35.0
246.19304	2.4
271.17102	2.9
289.18085	100.0
290.18463	7.4
307.19153	50.7
307.22153	1.0
308.19522	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	307.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03303	2.4
57.30802	1.1
59.01241	4.5
65.52083	1.0
69.03341	1.0
70.82897	1.4
70.83228	2.3
83.04889	1.8
88.82946	1.2
98.03588	2.1
98.20424	1.2
109.06460	4.2
109.07177	1.2
111.08051	1.8
123.08013	1.5
125.09595	1.5
127.07479	5.8
127.11169	1.9
137.02319	1.2
137.09621	2.0
143.08261	1.2
149.09599	1.5
150.22580	1.3
151.11209	6.0
153.09087	3.4
153.12695	1.7
154.62062	1.1
155.10664	8.0
163.11143	3.2
166.09879	1.2
167.10681	3.3
169.12236	2.3
177.12758	2.9
179.10687	2.0
191.14334	5.2
194.40343	1.0
195.10243	1.3
195.13846	1.6
197.11745	3.0
205.12224	2.0
217.15973	2.2
224.10417	2.3
225.11111	1.5
235.20520	1.5
239.09248	2.7
245.19073	28.4
246.19466	2.0
261.18567	1.2
263.20206	7.4
271.16965	2.9
279.19647	2.6
289.18103	41.7
290.18420	3.9
307.19128	100.0
308.19525	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	307.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63764	2.6
57.03315	12.7
59.01244	11.1
69.19190	33.0
71.01250	10.8
71.33930	2.8
80.02557	3.6
80.55784	2.6
83.04900	8.4
95.04898	4.7
95.80689	2.6
97.06469	22.7
106.04163	4.1
109.06493	3.8
109.11827	2.7
111.08025	15.4
121.06448	4.0
125.09615	7.3
137.09593	4.8
149.09595	5.1
151.11176	28.1
153.09119	6.4
153.12761	6.1
155.10695	14.6
161.09621	4.0
163.11179	12.8
165.12778	28.3
167.10707	4.9
168.73480	2.7
169.12216	5.9
177.12764	3.6
179.10654	9.6
181.12247	37.0
181.49855	3.1
185.11778	3.8
191.10677	18.5
191.14339	12.8
195.03246	2.7
197.11835	4.5
205.12169	3.1
209.11774	77.8
211.13266	14.7
245.19066	43.0
263.20197	16.7
271.17035	4.3
279.19540	4.6
289.18079	60.7
290.18298	4.8
307.19135	100.0
308.19455	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94695	1.7
57.03313	3.0
57.14325	1.7
59.01245	9.0
62.26633	1.9
64.82933	1.9
66.69122	1.8
68.89423	2.0
69.03317	1.8
70.81989	1.8
71.01234	6.5
71.08378	3.1
71.08716	3.5
81.03320	3.8
82.23067	2.0
83.04903	3.3
85.02807	3.4
95.04893	4.7
97.02820	5.0
97.06458	6.1
103.08338	1.7
106.04104	2.5
109.06480	3.4
123.04368	5.1
123.08011	5.4
125.09602	7.3
135.04395	2.7
135.08043	4.5
137.09637	4.9
141.12721	2.1
145.81932	1.8
163.11163	9.8
165.12733	4.2
171.10191	4.8
179.03424	2.9
179.10672	2.6
181.12289	5.8
185.11748	16.4
191.14326	14.2
207.10201	7.5
209.11711	11.8
225.11205	5.5
245.19054	35.8
246.19499	3.2
249.14877	13.5
263.20282	4.2
271.17319	3.4
289.18085	100.0
290.18384	9.9
307.10464	3.3
307.19116	82.0
307.22650	4.2
308.19415	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	2.4
58.17120	1.1
59.01244	12.2
66.23447	1.1
68.16938	1.2
69.83706	6.2
71.01238	4.1
80.02593	1.4
81.03339	2.1
83.04902	2.2
85.02806	1.9
89.02335	1.6
95.04883	1.3
97.06465	1.9
98.19814	1.3
101.02314	2.0
103.03893	1.4
108.02020	1.2
109.02819	1.2
109.06481	3.1
111.08064	2.5
113.02311	1.2
119.04935	1.4
121.06436	1.7
123.04414	1.8
123.08033	1.7
125.09594	4.4
127.07543	1.2
133.10132	1.2
135.04369	1.7
137.02327	1.4
137.05992	1.5
137.09560	1.4
138.06734	1.6
141.09053	1.0
145.02827	1.1
149.09622	3.9
151.07533	1.2
151.11186	5.9
153.09113	3.8
155.10699	11.3
161.04449	2.3
163.06039	1.2
163.11134	1.6
165.12700	1.4
166.09871	1.4
167.10686	3.8
168.11554	1.2
169.12212	4.1
177.12767	3.1
179.03497	1.5
179.10637	2.0
181.12265	2.8
184.62344	1.1
191.14322	8.6
193.90352	1.0
195.10210	1.5
197.11696	2.1
205.12234	3.8
209.11806	5.1
224.10368	1.4
239.09216	4.4
245.19058	31.5
246.19455	2.3
261.18710	1.8
263.20099	8.8
264.20294	1.6
271.17017	3.2
279.19553	2.7
289.18088	46.7
290.18387	4.3
307.19119	100.0
308.19553	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	307.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06057	1.4
57.22071	1.4
59.01242	9.4
62.43326	1.5
64.47174	1.5
70.80272	3.6
71.01244	4.0
74.98951	3.8
85.02838	3.1
91.02093	3.1
103.03918	1.8
109.06486	2.6
111.08004	2.0
123.04480	1.8
125.09604	2.6
135.04408	1.9
137.09592	2.1
138.06680	2.1
149.09605	4.1
151.11223	3.5
153.09045	1.9
155.10652	13.1
159.08365	3.4
161.06107	1.4
161.09644	2.1
167.10686	3.4
168.11375	2.2
169.12187	2.7
179.10681	2.4
189.12767	1.7
191.14314	6.0
197.11725	2.7
205.12271	3.3
206.99591	2.0
209.11525	1.7
223.02785	34.8
224.02826	3.4
224.10428	3.0
228.44002	1.5
239.09178	2.4
245.19077	33.7
246.19614	3.8
263.20166	8.6
273.48593	1.7
279.19791	2.0
288.87741	1.6
289.18100	39.3
290.18387	5.0
291.09082	68.7
292.09265	9.1
307.19150	100.0
308.19604	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	307.1396
Annotation	NSC-224070
Peak:m/z	Relative Intensity
54.77989	0.4
57.03305	0.7
58.00454	1.5
59.01248	35.4
68.63039	0.5
69.03278	0.6
71.01253	19.6
72.99174	2.3
73.02807	0.9
73.59102	0.5
83.01244	2.1
85.02820	5.7
85.86888	0.5
87.00747	2.0
89.02316	16.9
95.01235	1.7
97.02831	0.6
99.00690	0.8
99.08027	16.3
101.02314	14.2
113.02316	7.6
115.31443	0.5
119.03390	8.1
127.07510	3.5
129.09108	1.9
135.04395	3.0
141.09096	2.0
143.03381	0.7
145.08600	57.3
146.08888	1.3
149.04492	0.7
151.03751	0.7
153.13202	0.5
161.04466	1.7
179.03409	3.1
179.05547	1.0
184.54849	0.5
187.09627	1.5
191.03358	0.6
205.04938	0.5
229.18539	0.6
289.18234	0.5
307.13953	100.0
308.14365	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	307.0856
Annotation	CHEBI:91169
Peak:m/z	Relative Intensity
59.01247	41.3
64.16807	1.2
69.45350	4.6
69.45774	2.9
71.01245	4.0
79.95641	1.4
85.02815	3.0
89.02308	2.2
96.95883	100.0
101.02301	2.1
103.03882	1.3
113.02314	1.6
135.04408	16.4
161.02307	1.4
161.04510	2.0
167.10625	1.8
179.03406	17.5
227.12831	22.4
253.07701	1.4
295.30350	1.1
307.08521	89.6
308.08887	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57246	0.2
57.03318	0.3
59.01256	1.6
70.84509	0.4
71.01282	1.1
74.98949	4.9
75.96092	0.4
85.02850	0.2
89.02306	0.2
91.02085	2.7
93.00014	3.4
97.02825	0.3
103.03897	0.2
113.02330	0.3
125.09677	0.2
135.04408	0.6
140.55907	0.2
145.02751	0.3
149.00836	3.0
155.10690	0.5
159.08388	7.4
161.04494	0.4
161.06320	2.0
163.11180	0.3
177.12683	0.2
179.03459	0.7
185.11838	0.2
191.14253	0.5
192.98085	0.5
206.99634	1.8
209.01190	2.2
209.11740	0.4
210.01259	0.3
217.07176	0.9
223.02791	50.1
224.02844	3.8
225.00696	0.5
241.03850	1.5
245.19083	1.0
263.20129	0.3
273.50198	0.2
275.05975	0.4
289.07593	1.8
289.18118	3.7
290.07626	0.3
291.09097	100.0
292.09232	10.8
293.03217	0.3
307.12561	2.7
307.19147	5.9
308.19333	0.3
309.10205	2.1
310.10358	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1221
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24741	0.3
58.04181	0.3
59.01245	2.8
60.97391	0.4
71.01252	1.4
71.06316	0.8
71.06640	0.4
74.98940	5.1
83.01308	0.3
89.02324	0.5
91.02076	2.5
93.00010	3.9
103.03887	0.5
114.46325	0.3
135.04378	0.5
149.00826	2.6
159.08377	6.9
161.04419	1.0
161.06331	2.0
169.37579	0.4
206.99590	1.5
209.01172	3.0
209.11801	0.5
217.07178	0.8
223.02782	51.6
224.02812	4.2
241.03825	1.2
245.19121	0.8
275.05978	0.5
289.07425	1.6
289.18076	2.8
291.09088	100.0
292.09198	12.1
307.12628	2.7
307.15295	0.5
307.15866	0.4
307.19208	3.0
309.10144	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	305.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	1.0
57.03313	2.5
59.01242	1.8
63.68227	0.9
64.23135	0.9
65.03826	3.5
69.28795	1.2
69.29196	7.4
71.01248	1.1
71.04883	6.9
79.05397	12.2
93.03317	1.3
95.04878	1.3
97.06467	13.8
106.04125	9.0
107.04887	4.2
107.08598	1.1
109.06475	2.3
110.86986	0.8
119.04903	1.2
120.05696	5.3
121.06468	4.0
123.08057	6.2
125.09605	17.0
133.06546	1.8
135.08060	100.0
136.08385	4.5
137.09616	2.0
151.11185	2.7
163.11142	2.2
171.10245	0.9
183.10234	1.0
185.11732	2.9
189.12776	1.8
205.15912	5.6
207.10181	1.8
209.11797	3.0
211.13150	1.2
221.11807	1.5
231.13795	1.7
249.14931	48.1
250.15277	2.7
263.16547	2.6
269.15421	1.9
277.18057	2.6
287.16565	8.8
288.17035	0.9
305.17581	70.8
306.17953	9.2
307.63080	1.0
323.30820	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1759
Annotation	Corrin
Peak:m/z	Relative Intensity
57.03314	2.9
59.01241	3.8
59.56205	1.0
65.46944	1.0
69.03333	1.6
71.04891	38.9
71.27876	2.4
72.05215	1.6
80.02541	1.5
81.03316	4.6
93.03322	2.2
95.04896	18.0
97.06452	2.2
103.95813	1.1
106.04134	2.9
109.02797	1.4
109.06465	14.6
109.12254	1.1
111.04385	1.2
119.04918	2.6
120.05685	1.7
121.06454	5.4
122.03622	2.2
123.04441	2.4
123.08086	1.6
125.09612	3.3
127.07539	2.1
135.08038	8.2
136.05193	1.3
147.04396	2.0
147.08051	2.8
149.05922	1.2
150.06776	1.7
161.05977	2.8
161.09625	2.4
165.09149	9.2
179.14293	1.3
185.11736	6.6
186.10400	1.2
189.12785	13.6
201.12717	1.3
203.14404	1.5
205.15935	10.1
215.10703	1.7
231.13918	1.9
233.11771	7.2
243.17511	12.4
249.14949	12.9
259.33423	1.1
261.18564	3.0
263.16553	1.7
269.15427	3.4
287.16525	75.7
288.16867	6.0
289.14398	1.4
305.17584	100.0
306.17914	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	304.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02850	45.5
59.03170	0.5
60.09504	0.3
63.81818	0.3
69.45621	1.9
97.22452	0.4
107.91282	0.3
117.11322	0.3
130.21910	0.3
144.57538	0.3
151.11223	0.3
168.13858	100.0
169.14220	4.9
173.17978	0.3
212.12857	4.3
287.16568	0.5
304.19171	0.6
305.17651	1.0
308.81769	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0701
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03296	0.7
59.01249	37.4
69.69868	3.2
71.01251	2.1
73.80652	0.4
74.02362	0.6
74.37682	0.5
76.66288	0.5
79.95612	2.1
84.68836	0.5
85.02808	0.8
89.71590	0.5
96.95885	100.0
97.06471	1.6
99.05521	0.6
101.02310	1.4
109.06446	0.5
111.04411	0.5
113.02360	0.9
120.79772	0.5
125.05926	0.4
128.03404	1.0
135.08070	1.4
143.04501	2.3
147.08060	1.7
160.00587	0.5
165.09204	0.8
187.25949	0.5
191.05481	0.8
225.11266	20.5
226.11581	1.3
283.54779	0.6
305.07001	79.5
306.07367	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1756
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
55.01763	2.2
59.01245	17.3
67.39429	1.6
69.03325	1.9
71.01266	3.9
71.04884	15.5
71.50999	2.4
73.02825	6.8
81.03352	1.8
83.04903	2.8
83.23952	1.7
85.02821	2.4
93.03347	2.6
95.04896	3.7
97.02824	2.2
97.06470	5.8
99.04395	100.0
100.04756	2.5
101.02339	1.9
107.04903	1.7
107.08554	2.0
109.02827	2.0
109.06476	3.9
117.04266	1.6
120.05770	1.6
121.06462	2.7
123.08066	25.6
125.05994	12.6
127.07534	1.8
131.99855	1.6
135.08058	6.3
136.05190	4.2
138.06807	2.4
143.05072	1.6
147.07974	2.1
149.02429	2.0
149.09630	9.7
154.71127	1.8
161.09610	3.0
161.13237	3.0
162.06737	1.7
163.11266	2.2
164.08423	1.7
175.11168	2.8
189.12819	3.4
193.12218	6.1
205.12251	5.5
209.11772	3.4
219.13881	6.8
231.13869	3.2
243.17508	44.2
244.17923	4.5
249.15001	4.9
261.18564	3.5
269.15515	8.6
287.16525	84.3
288.16934	6.2
305.17578	93.2
305.20782	3.8
306.17889	8.9
330.00098	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	305.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49149	1.0
55.13611	1.1
57.03320	4.8
59.01242	2.6
65.92700	1.0
70.82874	3.0
93.03318	2.4
95.04933	1.4
97.02859	1.5
97.06480	4.3
99.85222	1.4
102.53693	1.1
107.04903	1.9
109.06505	1.7
117.06980	3.5
119.04926	2.5
120.05682	8.0
123.04432	5.7
123.08064	3.3
125.05911	1.9
125.09623	16.4
131.84180	1.0
133.06493	1.5
135.04477	1.3
135.08061	57.6
136.08354	2.1
137.09628	2.2
141.12785	3.1
147.04399	3.2
159.08052	1.2
160.08717	2.1
161.05959	2.3
161.09621	2.1
163.11192	1.6
165.09102	1.2
175.07536	7.1
179.10631	1.7
185.11763	59.8
186.12079	3.0
189.12767	8.2
207.13937	1.3
208.68919	1.3
213.37836	1.2
223.13388	1.6
243.17514	26.7
244.17841	4.2
245.15430	1.9
261.18619	3.3
263.16415	1.6
268.67276	1.1
269.15475	5.8
277.17838	1.4
287.16544	78.6
288.16772	6.6
305.17599	100.0
306.17889	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	301.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	2.5
60.39563	1.2
63.02262	1.3
70.77244	1.2
71.51275	2.0
72.43174	1.6
91.46588	1.2
93.03341	1.6
95.30031	1.4
107.01266	2.1
109.02887	3.1
111.00774	5.9
121.02847	4.3
123.00762	2.0
125.02334	2.0
133.02797	1.8
137.02290	1.2
138.05518	3.1
139.00293	11.4
145.02783	2.0
149.02370	14.1
150.03139	16.2
151.00253	5.2
152.01007	2.1
161.02379	1.7
161.29605	1.1
163.00195	1.5
164.04694	3.6
165.05461	14.6
181.01308	3.2
181.06557	1.5
183.04425	5.0
184.05211	3.8
185.05991	2.6
187.03883	6.4
189.05414	1.8
192.08832	1.5
193.01335	1.7
195.04416	4.3
196.05220	2.4
197.05963	6.3
199.03981	2.1
200.04695	2.2
207.04434	1.4
208.00055	4.1
209.06033	1.7
211.03967	8.2
212.04753	10.1
213.05573	10.1
215.03323	1.4
223.03909	3.8
224.04762	4.2
225.05525	36.0
226.06166	3.8
227.03476	2.4
227.07144	9.0
236.04811	1.6
237.05533	4.6
238.06108	2.5
239.07091	1.8
240.04247	47.7
240.07816	10.4
241.04968	18.2
241.08456	1.9
242.05461	2.6
243.06548	2.8
246.01390	1.3
252.04205	1.8
253.05046	38.5
254.05540	3.3
255.06607	100.0
256.07251	15.0
257.04578	2.2
267.06992	1.7
268.07379	20.8
270.08975	70.9
271.06091	18.5
271.09647	30.1
272.10034	1.8
273.04004	2.2
283.09738	6.1
286.08398	13.0
301.03503	14.8
301.10812	33.8
301.16473	1.9
302.03726	1.7
302.11179	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	301.1659
Annotation	Viridamine
Peak:m/z	Relative Intensity
57.27509	0.2
60.97363	0.7
69.71452	0.5
69.71872	0.7
74.98955	0.5
93.00011	0.4
98.19821	0.4
107.08317	0.2
109.02757	0.1
118.96160	0.8
134.99284	5.9
136.97232	2.0
138.03079	0.3
141.07254	0.4
143.05219	0.5
149.00858	0.2
150.98770	0.4
159.08411	1.4
159.78268	0.2
161.06294	6.2
164.25893	0.2
165.63194	0.2
201.04021	0.7
203.05579	3.2
203.07294	0.3
205.03552	1.2
215.05579	1.2
217.07150	86.2
218.07285	6.1
235.08206	0.5
258.97821	0.2
261.06168	0.6
283.11847	0.6
285.13461	35.7
286.13632	3.8
301.16580	100.0
302.16785	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	301.2022
Annotation	Koninginin G
Peak:m/z	Relative Intensity
53.46134	0.3
57.03329	2.7
59.01238	1.0
69.03310	0.4
69.77709	0.4
70.98750	0.6
70.99078	0.5
95.04914	0.3
97.06460	1.2
99.08035	0.9
111.08028	0.4
113.09617	1.5
123.00766	0.5
123.08030	0.5
125.09614	5.0
127.11117	0.6
131.07011	0.4
135.04466	0.3
138.03162	0.4
139.11194	0.8
141.12701	0.5
155.14349	0.4
187.09702	4.4
203.33969	0.3
211.20554	0.3
217.07086	0.4
221.19063	31.8
222.19334	2.6
229.08685	0.9
231.02991	0.3
237.18452	0.7
237.77417	0.3
239.20123	2.8
257.21124	1.5
265.18085	18.7
266.18472	1.9
271.06177	0.4
283.19156	18.9
284.19611	2.0
301.20197	100.0
302.17093	0.8
302.20511	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	301.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84039	0.7
51.90609	0.7
59.01244	1.7
69.79826	0.8
70.36681	1.5
73.02847	0.7
76.99957	0.6
83.71832	0.8
89.05663	0.7
98.19855	0.7
107.01233	0.8
108.02033	1.5
108.89305	0.7
109.02828	1.8
121.02816	3.3
123.00743	1.6
123.04401	1.3
139.00217	1.3
145.02803	0.7
149.02335	10.5
150.03131	12.8
155.10654	1.7
157.06506	0.8
159.04425	0.9
162.03134	1.5
164.04657	2.9
165.05463	20.0
166.05801	0.8
167.04933	1.0
169.06500	2.2
171.04402	1.1
183.04445	4.5
184.05237	4.4
185.05978	1.7
187.03926	6.9
192.78114	0.7
195.04439	7.1
196.05164	3.1
197.05988	9.3
199.03905	0.9
199.09708	1.7
208.05194	1.6
209.06026	2.6
211.03975	5.3
211.07547	1.6
212.04729	11.2
213.05481	8.5
214.06038	0.8
215.03366	0.7
215.07140	1.0
223.03996	4.2
224.04785	4.7
225.05508	37.6
226.06085	4.0
227.07082	8.8
228.03952	0.9
236.04710	3.0
237.05521	2.6
238.06189	2.0
239.03468	1.2
239.07097	1.2
240.04239	49.8
240.07823	10.6
241.04958	16.3
241.08549	1.4
242.05763	1.6
243.06575	3.1
251.07115	0.9
252.04301	2.2
253.05035	34.2
254.05458	2.7
255.06593	100.0
256.07242	16.9
256.97784	0.8
257.04465	2.3
257.07889	1.0
267.06555	2.4
268.07385	21.0
269.07794	2.4
270.08954	87.9
271.06122	14.1
271.09659	33.3
272.06497	1.2
272.09976	2.4
282.05237	1.2
283.06519	1.4
283.09750	9.1
285.04047	1.4
286.08469	15.3
287.08835	1.0
300.06323	1.0
301.03586	4.3
301.10794	39.0
301.16348	1.5
301.20145	1.7
302.11295	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	301.108
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51884	1.5
52.37189	1.7
57.21803	1.6
69.37246	3.3
69.37666	10.8
71.01244	6.0
72.72050	1.6
85.91158	1.5
89.25121	1.4
98.26492	1.5
108.02017	1.6
121.02816	1.6
123.00798	3.2
129.41702	1.6
137.02319	1.6
149.02339	4.4
150.03128	9.1
152.24800	1.5
165.05479	8.8
180.61662	1.5
183.04428	4.2
184.05231	6.3
185.11740	8.3
187.03918	6.6
195.04434	6.4
197.05963	6.9
209.06024	2.7
209.11742	4.6
211.03922	6.3
211.07690	1.6
212.04681	10.3
213.05498	5.6
223.03961	3.9
224.04626	2.5
225.05510	21.8
226.06114	5.0
227.03432	1.9
227.07088	6.9
237.05623	2.2
240.04250	49.5
240.07808	11.4
241.04979	15.1
241.08688	1.7
243.06351	2.0
253.04971	14.0
255.06590	100.0
256.07181	15.5
267.06711	2.0
268.07333	12.0
270.08966	86.8
271.06119	11.8
271.09650	32.2
272.09949	2.0
283.09726	3.7
286.03839	2.4
286.08267	7.5
301.03400	3.0
301.10858	22.0
302.10980	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	301.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91231	0.9
69.19110	4.9
69.19534	6.2
71.01244	8.2
101.47374	1.0
103.85419	1.1
108.02050	1.2
109.02866	1.5
115.00255	2.6
123.00775	1.4
139.00294	1.4
149.02332	6.3
150.03131	7.5
164.04720	1.4
165.05486	10.2
171.04446	1.4
178.28278	1.0
183.04436	4.1
184.05165	4.6
185.05930	1.5
185.11754	12.8
186.12039	1.3
187.03915	7.2
189.05482	1.5
195.04424	5.7
196.05180	2.1
197.06078	6.9
198.06352	1.1
209.11737	1.6
211.03976	4.9
212.04738	11.1
213.05473	7.2
223.03893	4.1
224.04671	2.9
225.05510	22.3
226.06094	2.1
227.07126	5.0
237.05579	1.3
239.06987	1.5
240.04256	48.8
240.07848	12.4
241.04985	16.0
241.08470	2.1
242.05527	1.5
243.06589	1.0
252.04163	1.2
253.05061	15.4
254.05527	1.9
255.06596	100.0
256.04260	1.6
256.07251	19.7
267.06570	1.3
268.07443	9.8
270.08969	88.8
271.06143	8.8
271.09659	37.5
271.12708	1.8
272.09927	1.8
283.09717	5.2
286.03729	1.7
286.08530	8.6
301.06903	1.5
301.10809	21.6
301.16782	1.9
302.11362	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1863
Annotation	Achaetolide
Peak:m/z	Relative Intensity
52.70388	0.2
57.03325	2.3
58.00470	0.4
59.01257	2.7
64.85900	0.2
69.03329	1.9
69.23055	1.6
69.23481	1.3
71.01249	1.1
71.04906	0.3
73.02801	0.3
81.03348	0.4
83.01270	0.4
83.04904	1.5
84.02048	0.6
85.02823	5.7
85.05329	0.3
93.03345	0.3
95.01286	0.3
95.04897	2.9
97.02841	0.6
97.06465	10.0
99.04408	0.4
99.08031	3.7
109.06490	0.8
110.03587	0.7
111.04373	0.3
111.08030	0.5
117.03371	0.7
119.04886	0.6
119.08489	0.3
121.02857	0.3
121.06494	0.8
121.10117	0.3
125.05973	1.3
127.07574	0.6
127.11153	2.1
135.08075	0.7
137.06006	0.4
137.09625	3.4
139.07561	1.0
139.11180	4.3
143.07039	11.1
145.02863	3.8
147.08031	0.6
149.09630	4.0
155.10686	6.7
157.08604	1.1
165.09109	1.8
165.12811	0.5
167.10674	0.6
169.08611	0.7
171.10223	0.4
175.07584	0.7
181.08662	1.8
183.10184	20.5
184.10542	0.8
193.08627	2.5
199.09718	0.3
201.11266	11.8
202.11620	0.6
207.10245	0.9
211.09694	1.6
211.86032	0.3
219.17476	0.6
225.11382	0.6
225.46548	0.3
227.03662	0.3
229.10750	0.3
239.90201	0.3
249.83063	0.3
263.16522	3.0
264.16830	0.3
271.02765	0.4
281.17441	1.4
284.03293	3.9
299.05545	2.0
299.18674	100.0
300.19064	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0266
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	96.1
63.51747	2.3
65.03256	2.9
65.75692	2.2
70.48016	8.5
115.02406	6.5
116.98488	3.8
117.00336	15.2
159.01395	100.0
160.01521	7.0
201.02480	24.3
259.01752	4.1
301.02646	38.2
302.02789	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	301.0354
Annotation	Tricetin
Peak:m/z	Relative Intensity
63.02265	1.5
65.00195	4.1
67.01759	0.9
68.99659	0.7
69.25124	2.6
69.25553	1.2
77.03817	0.6
80.04926	0.7
83.01259	2.2
91.01765	0.8
93.03330	2.0
95.01270	1.8
98.19858	0.7
100.76058	0.4
105.03334	0.8
106.06500	1.1
107.01275	5.1
108.04428	4.5
109.02835	7.5
109.99965	0.8
111.00751	1.8
117.03346	0.5
119.01259	2.5
119.04906	0.5
121.02831	4.1
121.05232	0.6
123.00769	2.8
124.07587	2.2
125.02335	1.9
132.02080	0.5
133.02849	19.9
134.03197	1.0
135.04419	3.6
136.07582	10.8
136.98683	0.9
137.02344	9.0
139.00255	3.5
139.03941	0.7
143.04924	1.2
145.02843	0.8
145.06508	0.5
147.00766	2.5
147.04424	1.2
148.01529	1.0
149.02353	14.3
150.05450	0.4
151.00279	9.6
159.04393	1.3
161.02338	1.0
161.05881	0.4
163.00272	2.6
164.98239	0.9
165.00504	0.8
165.01834	12.2
166.02113	0.5
166.99733	1.7
167.04836	0.5
171.04433	1.3
173.02385	0.7
173.05975	0.5
174.03223	0.4
175.00252	0.6
175.03925	1.1
176.01025	1.6
177.01830	2.2
178.99780	0.5
183.04390	1.2
185.02359	0.6
185.06013	0.8
187.03880	2.6
189.01843	1.3
189.05490	1.1
190.99814	2.1
191.03467	1.0
191.05463	0.5
192.00539	2.2
193.01389	2.2
195.04387	0.4
199.03888	0.6
201.01811	1.5
201.05536	1.1
202.02097	0.4
203.03371	1.2
211.03934	3.5
211.13255	0.6
212.04465	0.6
213.01833	0.6
213.05499	0.9
214.02652	0.6
215.03448	2.5
217.04979	0.7
227.03462	4.0
228.03934	0.4
229.05000	2.7
231.03004	1.0
233.04498	0.9
239.03476	1.8
239.11800	0.5
240.03932	0.7
243.02921	0.7
245.04503	1.4
255.02956	9.8
255.06015	0.4
256.03461	1.4
257.04535	9.6
257.12927	22.4
258.05054	0.5
258.13211	1.5
259.02319	0.8
272.03058	0.9
273.03979	3.4
274.04257	0.6
276.83551	0.4
283.02435	12.3
284.03192	2.0
285.18188	0.4
301.03510	100.0
302.03854	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2433
Annotation	Ricinoleic acid
Peak:m/z	Relative Intensity
57.03318	0.4
59.01245	8.7
69.20014	0.9
69.20417	3.1
71.01246	5.6
73.02802	0.8
85.02832	2.1
89.02317	4.9
101.02314	3.3
112.96464	0.4
113.02357	1.9
113.25407	0.4
119.03397	1.8
135.04427	0.7
135.06509	2.5
143.03406	0.5
150.08952	0.4
161.04468	1.5
164.27441	0.5
179.05562	1.3
183.01140	9.0
184.01767	1.1
199.13329	0.6
203.40494	0.4
216.00867	0.7
233.19849	0.3
233.67873	0.5
251.23753	1.1
279.23254	3.2
295.22751	0.9
297.11887	4.0
297.15280	18.4
297.24335	100.0
298.15628	1.6
298.24747	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	297.2434
Annotation	cis-9,10-Epoxystearic acid
Peak:m/z	Relative Intensity
52.86419	0.4
59.01242	7.1
71.01254	3.9
71.04871	0.5
73.02810	0.5
83.01228	0.6
84.28926	0.4
85.02812	1.1
89.02307	3.9
93.43883	0.4
98.20651	1.0
98.38148	0.4
101.02316	2.3
109.11228	0.5
113.02313	1.5
119.03386	1.8
125.09599	0.8
135.04372	1.0
135.06532	1.1
141.12738	0.7
155.10690	2.0
161.04468	1.1
171.10187	3.7
175.02066	0.4
179.05579	0.8
179.07164	0.5
183.01137	3.4
195.80977	0.5
227.47075	0.5
230.59848	0.5
237.09683	0.6
253.25311	0.9
279.23328	5.9
280.23743	0.7
295.22778	0.7
297.04489	0.5
297.11758	2.4
297.15234	7.2
297.24323	100.0
298.15714	0.9
298.24713	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	299.0561
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
50.47350	0.1
51.36130	0.1
54.24541	0.1
58.81489	0.1
59.01243	0.1
61.38428	0.1
63.02260	1.7
63.45947	0.1
65.00194	0.9
67.59657	0.1
70.09901	0.1
83.01246	1.5
105.53686	0.1
107.01265	3.2
123.00703	0.2
125.02263	0.2
131.94214	0.1
132.02075	0.4
133.02826	0.9
134.03625	1.6
134.78844	0.1
135.03964	0.2
138.38884	0.2
143.17679	0.1
145.02814	0.4
146.03583	0.2
148.01590	0.6
149.82927	0.1
149.99463	0.5
151.00269	4.1
169.01280	0.4
171.04491	0.1
172.05164	0.3
174.03108	0.3
176.01033	0.2
183.04420	0.6
183.39868	0.1
184.05124	0.2
187.03848	0.4
188.04695	0.4
195.04391	0.3
199.03951	0.6
200.04720	0.9
211.03981	1.2
212.04663	0.3
214.02690	0.2
227.03444	2.3
228.04105	0.4
239.03549	0.7
255.02940	1.4
256.03729	5.2
257.04117	0.3
271.02316	0.2
283.02420	0.9
284.03241	100.0
285.03577	6.5
285.06256	0.1
299.05582	55.8
300.02530	0.2
300.05933	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	299.0772
Annotation	Pseudolaroside A
Peak:m/z	Relative Intensity
59.01240	0.5
64.10866	0.2
69.21323	0.2
71.48875	0.4
79.59310	0.2
81.03349	0.3
85.83698	0.2
87.06748	0.2
93.03330	0.3
108.02069	0.8
109.02848	0.3
117.03365	1.4
119.04926	0.2
121.02858	0.4
136.01567	2.2
137.02342	100.0
138.02675	4.3
145.02847	4.9
146.03122	0.2
227.02013	0.2
284.03342	0.5
299.07721	8.3
299.16492	6.6
300.07962	0.6
300.16830	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1865
Annotation	Achaetolide
Peak:m/z	Relative Intensity
50.41938	1.4
57.03320	5.2
59.01254	14.2
69.03315	3.9
71.01254	4.2
71.04883	2.0
73.02818	5.7
83.04893	7.0
85.02815	2.0
95.04913	3.1
97.06469	23.5
98.03603	3.0
99.08034	5.4
109.06487	1.4
111.08039	2.5
112.05132	1.6
113.02311	1.6
113.09608	8.2
114.51689	1.3
115.07497	2.2
117.03345	8.5
119.04900	3.0
121.02837	2.8
123.08009	1.4
125.05978	1.9
125.09586	3.1
127.07543	11.8
127.11157	2.0
129.09113	46.8
134.45386	1.3
135.08052	3.1
138.05449	2.2
139.07541	10.5
139.11220	1.7
141.09097	16.5
143.07027	13.2
145.02853	43.2
151.00247	1.7
151.07524	4.9
155.10689	17.1
157.08606	72.1
158.08975	2.4
162.03078	1.7
165.12750	4.7
169.08606	55.5
170.08966	1.8
173.08118	4.0
181.08615	19.2
183.10222	2.5
183.13736	2.6
191.14326	1.6
210.08849	3.1
219.17496	19.8
220.17767	2.0
229.29669	2.2
237.18469	1.8
256.03806	6.7
263.16507	11.5
271.02402	2.2
272.70526	1.3
281.17584	48.7
282.17899	4.5
284.03259	45.9
284.05972	1.2
285.03485	6.0
299.02121	2.8
299.05539	25.9
299.09006	1.6
299.16040	28.6
299.19131	100.0
299.25720	2.9
300.05771	2.3
300.16507	4.9
300.19016	7.2
309.87024	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1706
Annotation	15-keto-2,3,4,5-tetranor-PGF2alpha
Peak:m/z	Relative Intensity
57.03319	6.5
59.01247	36.5
69.03316	3.1
71.00897	1.8
71.01252	18.2
71.04892	2.9
72.02051	2.7
73.02815	2.9
81.03330	4.9
83.04897	27.8
83.05379	1.9
84.02038	3.8
85.02829	4.1
89.02316	6.8
94.95025	1.1
95.04897	6.9
97.06469	15.1
99.04384	2.4
99.08005	6.0
101.02318	2.8
109.06485	9.7
110.03620	2.2
111.04407	1.2
111.08017	2.2
112.05141	1.3
113.02346	3.7
113.09586	6.1
115.07558	1.4
119.03407	3.1
119.08530	1.6
121.02813	1.3
121.06532	1.6
125.05927	1.8
125.09605	3.1
127.07540	20.7
135.04417	2.0
135.06522	2.3
135.08058	10.7
137.09615	4.1
139.07568	12.5
143.07050	8.5
149.09547	1.7
151.07555	4.4
153.09126	9.1
155.10686	3.3
157.08603	27.1
163.07552	2.4
169.08611	28.5
170.09004	1.7
173.04616	1.2
178.09898	4.9
181.08620	69.0
181.12172	9.7
182.08949	3.5
207.13991	2.3
208.07285	3.7
209.08070	2.1
209.11731	1.4
210.08923	36.9
211.09264	2.2
211.13441	1.5
217.15926	13.3
219.13916	1.4
223.13365	1.8
227.09328	1.4
228.10005	4.8
235.17009	9.6
261.14951	9.4
279.16013	100.0
280.16425	7.9
297.11816	4.7
297.17078	42.9
297.24203	5.6
298.17444	5.1
302.98779	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	295.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17159	1.2
55.29527	1.3
59.01249	3.8
68.35242	1.6
71.27971	2.0
123.86561	1.6
133.54689	1.4
171.10176	52.8
172.10460	1.9
183.10190	4.1
277.18640	2.4
277.21713	63.8
278.22049	6.0
295.22754	100.0
296.23132	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	295.2276
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
57.03306	0.8
59.01233	1.5
71.05872	0.8
71.06215	0.5
101.43097	0.5
113.09588	1.8
134.16757	0.4
136.52525	0.4
138.55954	0.4
139.66136	0.4
160.21153	0.4
177.12645	0.6
179.14261	0.8
195.13838	17.2
196.14140	0.8
213.80214	0.4
233.22992	0.6
234.84470	0.4
250.46867	0.4
253.97664	0.5
277.21729	17.8
278.21960	1.2
295.22769	100.0
296.23141	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	295.2278
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
56.52604	0.2
57.03323	1.1
59.01247	4.5
69.48500	0.2
69.56300	0.8
69.56714	0.8
71.01251	0.8
80.40884	0.3
83.04887	0.3
89.02328	0.6
97.06472	0.3
98.06816	0.2
99.08028	0.3
101.02325	0.9
110.83239	0.2
113.02369	0.3
113.09621	2.8
133.01328	0.3
133.04964	0.7
161.04472	0.5
169.39120	0.2
173.38078	0.2
177.12808	0.5
179.14377	1.1
181.12244	0.7
194.95230	0.2
195.13832	19.3
196.14214	1.1
196.91434	0.3
215.58237	0.3
235.08289	0.3
251.95103	0.2
253.09277	0.3
259.20761	0.3
277.21707	19.3
278.22040	1.3
295.22760	100.0
296.23108	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	297.119
Annotation	3-O-(alpha-L-rhamnopyranosyl)-D-ribitol
Peak:m/z	Relative Intensity
57.03302	1.6
58.00459	3.0
59.01250	100.0
60.01588	1.6
71.01254	51.0
71.02447	3.4
71.04852	1.2
71.59780	1.2
72.99176	4.3
73.02812	6.1
80.77220	1.1
83.01270	2.6
85.02827	16.1
87.00745	2.3
89.02319	40.8
95.01260	4.4
99.00742	2.9
101.02324	25.9
113.02329	17.1
117.05453	1.8
119.03389	13.9
131.03334	1.7
135.04422	2.7
135.06509	16.0
143.03381	2.6
149.04474	1.3
161.04454	8.2
179.05475	6.5
237.09720	3.2
297.08572	1.5
297.11850	22.5
297.24316	6.5
298.12079	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	295.2278
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
54.81407	0.5
54.99748	0.5
59.01249	7.3
62.01421	0.6
65.97136	0.6
68.14982	0.5
69.44313	0.6
69.93928	1.4
69.94331	1.8
71.01241	2.7
72.59356	0.7
85.02825	1.2
98.20538	1.0
101.02324	1.3
112.59042	0.6
113.02334	0.8
113.09599	0.8
119.04900	0.7
125.09595	0.8
133.01283	1.3
133.04970	0.8
160.60242	0.6
161.04521	0.7
171.10181	14.9
179.14230	0.7
183.10156	1.3
195.13828	9.9
277.18115	5.5
277.21667	31.0
278.21881	3.0
295.19135	8.5
295.22733	100.0
296.19833	1.1
296.23093	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	295.1549
Annotation	alhpa-tocopheronic acid
Peak:m/z	Relative Intensity
50.79607	1.2
54.89529	1.5
57.03323	4.2
59.01250	56.3
71.01252	8.8
71.30561	2.5
73.02809	2.3
79.11809	1.4
81.03329	4.7
83.01254	1.6
83.04891	37.1
84.02045	2.5
85.02816	6.0
89.02312	3.6
91.47466	1.5
95.04887	4.9
97.02856	1.9
97.06471	8.1
101.02306	5.0
107.04901	8.9
109.06480	9.4
110.03575	2.2
111.00768	1.7
111.04385	3.7
111.08083	2.1
113.02345	4.9
120.47602	1.4
121.02817	3.4
123.04396	1.9
123.08076	2.5
125.05951	2.2
125.09602	2.6
128.45995	1.4
133.04941	3.0
135.04414	2.0
135.08049	15.9
136.08340	1.8
137.02298	1.4
137.09598	4.7
139.07515	1.6
141.41827	1.5
147.04422	5.0
151.99399	1.4
153.09074	12.8
155.07123	1.5
161.04477	4.3
161.05917	3.3
162.06714	4.7
163.07571	3.4
163.11189	1.6
164.29314	1.7
169.08607	4.7
176.08321	1.9
179.10706	5.7
181.08627	100.0
182.08972	5.4
195.13878	2.7
197.08043	2.5
205.12338	3.1
208.07329	8.7
215.14415	11.4
217.12206	2.2
226.08369	2.7
233.15446	20.9
237.14949	3.2
241.12245	1.9
251.16516	3.5
253.09224	2.1
259.13287	5.2
277.14462	67.3
277.17932	9.5
278.14734	5.1
295.06506	1.5
295.10043	3.2
295.15414	7.8
295.19092	22.8
295.22424	2.1
296.15918	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.9
57.03323	1.2
58.00469	2.4
59.01249	60.3
60.01590	1.0
69.73814	0.3
71.01251	30.0
71.04888	3.8
72.99189	2.9
73.02834	2.0
75.00751	2.0
83.01260	1.7
85.02824	7.6
86.33878	0.4
87.00750	3.3
87.04386	0.9
89.02316	43.1
90.02643	0.4
95.01258	2.3
96.95866	1.0
99.00762	1.0
101.02321	19.5
103.00256	0.4
112.98695	1.2
113.02328	10.9
115.03897	11.5
119.03392	15.1
119.04887	8.5
125.02419	0.5
131.03427	1.7
133.04965	6.0
143.03400	1.8
149.00833	1.2
149.04480	1.0
161.04448	1.7
163.03918	15.9
164.04282	0.7
178.90410	0.5
179.05550	2.1
208.25000	0.4
222.65970	0.5
237.06070	0.9
250.91583	0.4
251.07698	5.7
251.10254	0.6
252.07935	0.4
281.98245	0.5
295.10336	100.0
296.10666	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	295.1549
Annotation	alhpa-tocopheronic acid
Peak:m/z	Relative Intensity
57.03323	3.2
58.64617	1.7
59.01253	62.7
61.98710	1.8
69.02027	1.8
69.03312	4.4
71.01264	10.9
71.51762	2.6
73.02825	2.6
80.02522	2.0
81.03334	5.3
83.04899	41.6
85.02815	4.9
89.02315	3.4
93.03345	4.4
95.04897	7.3
97.02833	2.9
97.06458	11.4
101.02304	5.3
107.04897	8.2
108.25357	1.6
109.06502	8.6
110.03625	2.8
111.04427	2.2
113.02298	2.6
113.05975	3.0
119.08540	3.1
121.02894	2.6
123.04404	3.0
123.08069	3.6
125.02330	10.8
125.05963	3.3
125.09569	4.3
133.04936	3.1
133.06476	2.2
135.04427	2.8
135.08064	21.3
136.08357	2.2
137.09593	5.9
139.07512	2.4
147.04416	5.6
151.07538	2.4
153.09125	14.1
157.08545	3.5
161.04419	3.1
161.05937	1.8
162.06760	5.9
163.07571	3.8
165.09082	2.4
169.08618	7.5
176.08321	4.2
179.06993	1.7
179.10684	9.1
181.08615	100.0
182.09003	4.2
191.14392	1.9
197.08052	3.5
208.07358	6.3
215.14377	12.3
217.12259	3.3
225.07709	2.2
226.08386	2.3
233.15427	25.0
234.15723	1.8
251.16454	2.9
259.13394	7.0
277.14435	70.6
278.14841	5.5
295.11682	6.5
295.15475	11.5
295.22699	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	293.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07372	0.7
57.03322	4.5
59.01245	2.4
67.00788	0.7
67.06598	0.7
69.20984	3.2
69.21419	3.8
71.01235	0.8
72.29595	0.7
81.45738	0.6
97.06479	0.9
113.09605	17.0
114.09975	0.8
121.10123	2.1
135.11723	0.7
139.11238	1.5
142.21304	0.7
149.09698	0.7
167.10693	1.3
171.10172	4.1
175.98828	0.7
177.12741	0.7
179.10643	2.3
185.11754	1.2
195.13834	3.0
214.06485	0.7
224.27811	0.7
227.66608	0.9
228.76109	0.7
249.22215	1.9
275.20200	5.8
293.21213	100.0
294.21564	9.6
312.29306	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
58.37364	0.5
59.01245	0.7
71.00037	1.5
82.47206	0.4
110.65791	0.5
113.09605	0.6
132.47592	0.5
167.10710	0.7
179.14340	1.1
195.13837	12.3
196.14423	1.8
197.73462	0.6
205.12279	1.2
211.13394	1.1
223.13344	10.2
224.13803	1.0
228.13611	1.6
231.20966	0.9
239.12776	0.7
256.13138	5.2
275.20102	8.9
293.21213	100.0
294.21545	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	293.2122
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
53.62825	0.3
57.03324	1.7
59.01254	1.5
69.92538	1.3
71.01254	1.1
71.04932	0.2
83.04901	0.2
89.02305	0.7
97.06486	1.2
101.02299	0.3
108.33173	0.2
112.02579	0.2
113.09611	1.9
123.08057	0.4
125.09605	4.1
139.11157	0.4
140.53372	0.2
141.12743	1.4
149.09637	1.6
156.13838	0.5
157.14201	1.0
161.04503	0.2
167.14415	0.2
177.12674	0.3
179.10716	0.2
185.11766	9.0
186.12129	0.5
195.13770	0.4
197.11786	2.3
220.14658	0.8
221.15450	1.6
224.95755	0.3
236.10486	1.4
249.22211	0.9
275.20053	0.4
293.08670	1.1
293.21213	100.0
294.21518	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	0.4
59.01252	3.6
62.88467	0.3
66.05062	0.4
66.39605	0.5
71.01255	2.4
71.30780	0.7
75.05581	0.3
79.95603	1.3
85.02835	0.8
85.33950	0.4
89.02315	1.8
95.04893	0.4
97.02801	0.7
97.06416	0.4
101.02347	0.8
111.08036	0.7
113.02336	0.4
113.09603	1.0
119.53092	0.4
125.02267	0.4
131.03336	0.5
136.08861	1.8
145.92480	0.3
161.04480	1.7
163.11171	0.8
170.76367	0.4
171.10159	0.5
177.09085	0.5
179.14359	1.0
192.11458	1.5
193.15910	3.2
195.12038	0.7
195.13832	11.4
196.14198	0.7
205.12265	1.1
211.13329	0.9
220.14645	2.2
221.15443	4.8
223.13342	7.2
224.13885	0.6
228.13695	1.2
231.21211	0.5
236.10498	3.3
242.82072	0.4
249.18466	0.9
249.22255	1.1
256.13113	2.9
265.21771	0.6
275.20181	7.0
276.20615	0.6
278.03998	0.3
293.08789	3.3
293.17923	5.2
293.21201	100.0
294.18246	0.9
294.21567	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	295.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	17.2
68.07507	1.1
70.41138	4.3
71.01254	7.4
72.99170	1.9
73.02859	1.8
82.29118	1.0
87.00742	9.7
89.02298	5.8
101.02329	5.6
103.00257	4.7
112.98679	8.2
113.02336	2.9
119.04910	53.0
120.05267	2.6
132.83389	1.1
133.01321	2.2
133.04974	3.5
149.00818	19.0
153.43617	1.0
163.03915	100.0
164.04199	4.3
167.57944	1.1
253.09337	1.6
267.02249	1.2
295.10361	16.0
299.58627	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0457
Annotation	trans-coutaric acid
Peak:m/z	Relative Intensity
59.01253	17.2
68.07507	1.1
70.41138	4.3
71.01254	7.4
72.99170	1.9
73.02859	1.8
82.29118	1.0
87.00742	9.7
89.02298	5.8
101.02329	5.6
103.00257	4.7
112.98679	8.2
113.02336	2.9
119.04910	53.0
120.05267	2.6
132.83389	1.1
133.01321	2.2
133.04974	3.5
149.00818	19.0
153.43617	1.0
163.03915	100.0
164.04199	4.3
167.57944	1.1
253.09337	1.6
267.02249	1.2
295.10361	16.0
299.58627	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	293.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32986	0.2
54.73264	0.2
59.01245	0.6
59.93802	0.2
69.45175	1.6
71.01256	8.0
79.80894	0.2
89.02317	0.4
97.41878	0.3
98.19790	0.3
127.07576	1.3
148.05196	0.9
151.07533	0.4
159.54579	0.2
164.08354	1.1
165.09114	0.3
174.85156	0.3
177.09135	5.0
190.09785	0.3
192.11479	6.9
193.12015	0.6
205.12280	7.2
206.12625	0.4
207.13835	1.4
217.08661	0.4
218.09438	2.0
220.14635	50.2
221.15405	100.0
222.15747	6.0
235.13324	0.9
236.10497	73.3
237.10883	4.4
293.08701	0.9
293.17584	7.9
293.21170	1.5
294.17914	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1792
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38021	0.2
58.30278	0.2
59.01235	0.8
63.80591	0.2
71.01261	0.5
71.04074	0.2
79.82761	0.3
79.95592	2.3
89.02320	0.5
90.43660	0.2
95.95135	0.6
96.95889	100.0
97.95839	0.3
108.49189	0.2
125.40919	0.3
208.05371	0.3
214.82909	0.3
215.78067	0.3
220.14453	0.3
221.15361	0.7
236.10422	0.3
293.17920	73.3
294.18192	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	293.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88868	0.5
57.03320	1.1
59.01250	0.7
70.19481	0.5
70.53365	0.8
87.52302	0.5
97.06452	1.5
98.19849	0.6
100.49399	0.5
110.37424	0.5
113.09609	0.7
121.10133	0.6
123.08033	0.9
125.09613	4.3
141.12723	1.5
149.09615	1.8
168.95108	0.5
183.13814	0.6
185.11737	8.3
195.13722	0.6
197.11768	2.6
210.92575	0.4
223.13573	0.6
226.16287	0.4
236.20656	0.5
249.22261	0.7
275.20294	0.8
284.52969	0.5
293.21204	100.0
294.21530	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	293.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	3.0
63.30824	1.3
65.51943	1.5
69.21314	16.9
69.21639	3.7
69.93056	1.6
79.62861	1.4
110.07481	1.5
121.10123	54.8
125.09601	2.1
129.93307	1.5
142.34607	1.5
144.16927	1.6
171.10179	96.1
172.10541	1.9
183.13821	5.7
185.11746	4.5
197.11882	2.4
231.21112	7.1
235.13416	2.0
275.20163	100.0
276.20456	6.9
293.21222	74.2
294.21637	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88570	0.9
57.03314	1.0
58.00465	1.7
59.01250	41.6
61.12452	0.9
70.61287	0.8
70.83905	2.0
71.00845	1.6
71.01249	26.7
72.99174	2.7
73.02812	2.1
77.10577	1.0
83.01251	1.9
85.02807	6.7
85.06461	17.0
87.00726	2.1
89.02317	25.5
95.01225	1.1
101.02320	17.4
113.02312	10.3
113.05944	5.8
115.07537	2.4
119.03394	8.9
120.87325	0.9
127.07536	2.9
131.03397	1.5
131.07030	76.0
132.07355	3.2
137.66800	1.1
161.04523	1.9
167.18938	1.0
173.08084	2.2
176.07207	1.3
179.05423	1.5
183.56363	1.0
268.06329	1.0
278.06116	1.1
293.09225	4.0
293.12405	100.0
294.09811	1.4
294.12720	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	293.1372
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64376	0.4
59.00955	0.8
59.01248	15.9
61.98682	0.6
64.95532	0.4
69.03315	0.9
71.01253	2.4
72.05193	0.4
72.99203	0.4
73.02829	0.6
85.02819	1.1
87.00742	0.5
89.02297	2.7
93.51858	0.4
97.02817	0.7
101.02328	0.7
131.03389	1.0
161.04431	1.5
162.77074	0.4
165.12737	1.1
167.10672	0.5
167.14359	0.6
183.13800	7.8
193.12251	1.7
205.82719	0.5
211.13332	100.0
212.13673	6.4
221.15355	0.5
229.87498	0.7
233.11536	14.4
234.11780	0.8
275.16602	0.8
293.08777	3.9
293.13821	5.0
293.17505	0.8
293.20901	2.6
294.13770	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1966
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
59.01257	6.0
71.01237	2.7
71.50453	1.0
71.50833	1.8
73.02814	1.9
80.13213	1.1
83.04811	1.3
88.65180	1.0
97.06460	71.4
98.06804	2.8
165.12761	6.4
174.27167	1.2
183.13779	3.5
193.12276	20.1
194.12770	3.5
211.13326	52.4
212.13689	4.3
234.37897	1.0
247.20541	5.5
263.20279	3.8
273.18680	5.5
291.19656	100.0
292.19907	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	292.1919
Annotation	NONIVAMIDE
Peak:m/z	Relative Intensity
51.22536	0.8
57.13188	0.7
59.01250	7.1
71.01259	5.5
71.51336	0.9
85.02837	1.8
89.02316	4.1
97.02847	1.3
100.82727	0.8
113.02306	0.7
114.11337	0.7
121.10135	1.8
131.03383	1.0
156.13850	100.0
157.14180	4.8
161.04497	2.2
171.10168	2.9
192.11618	0.9
195.13863	1.3
197.82101	0.8
200.12842	7.0
220.14594	5.4
221.15414	8.9
228.50519	0.7
236.10434	5.1
271.11978	0.8
274.49860	0.7
275.17392	0.8
275.20047	4.0
276.26804	0.8
292.19986	16.6
293.08789	6.7
293.17667	1.9
293.21216	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	292.192
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02830	0.7
59.01255	3.6
62.95107	0.4
70.05627	1.2
70.06026	0.8
71.01249	2.1
71.98983	0.4
85.02821	0.7
87.63502	0.5
89.02319	2.0
97.02824	0.6
111.07981	0.5
121.10108	0.9
125.02251	0.5
131.03384	0.5
146.17873	0.4
156.13841	100.0
157.14186	4.1
161.04489	1.5
166.13242	0.5
171.10190	1.3
195.13899	0.6
200.12854	7.4
205.12186	0.5
205.96066	0.5
206.42911	0.4
220.14621	2.0
221.15422	4.4
236.10468	3.1
248.20975	0.8
248.25368	0.4
261.73801	0.5
274.18866	0.8
275.20227	2.3
292.19986	10.9
293.08945	2.6
293.17606	1.2
293.21146	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	293.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	2.9
58.00475	6.9
59.01252	87.0
59.05384	1.4
69.03331	9.1
69.37622	6.7
69.38043	4.7
71.01255	100.0
72.99175	6.4
73.02825	9.5
75.00720	1.3
81.03329	5.9
83.01271	7.7
85.02828	11.0
87.00764	3.0
89.02319	91.8
97.02835	12.7
98.20650	1.8
99.00767	6.7
99.04350	1.6
101.02335	14.7
113.02328	7.7
115.03883	5.1
123.00829	1.5
125.02338	32.0
131.03406	6.7
134.03618	6.2
143.03424	5.3
143.25374	1.6
146.06039	7.0
149.04480	6.9
152.07060	4.5
155.29385	1.5
161.04497	2.3
174.09181	10.9
191.05539	3.2
206.11845	11.9
233.06651	8.2
277.40863	1.4
292.25723	1.3
293.08719	6.7
294.09769	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	289.181
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36580	0.2
59.01247	2.0
69.18681	2.5
71.01254	0.4
80.02555	1.2
81.03334	0.7
83.04894	1.0
95.04942	1.1
97.06499	0.3
98.19843	0.4
100.54296	0.2
106.04122	2.1
107.04893	0.6
109.06476	10.9
110.06796	0.5
111.08047	2.2
111.87418	0.2
117.06991	0.4
119.04894	0.4
119.08533	0.4
120.05691	0.6
121.06482	0.5
121.10116	0.5
123.08067	2.3
125.09589	0.3
129.09099	0.3
129.56364	0.2
133.06456	0.3
134.07283	0.3
135.08028	0.7
137.09608	1.4
141.09097	0.4
143.10690	1.6
145.06502	3.4
147.08072	0.3
149.09644	1.9
151.11205	1.3
159.08034	0.4
161.09679	0.5
163.11185	0.8
167.10664	2.2
173.09570	0.3
175.11209	0.5
177.09152	0.3
177.12723	0.4
179.10712	0.9
181.12329	1.1
191.14340	0.8
192.04198	0.3
215.14319	0.6
216.15057	0.3
217.15898	0.5
227.18086	0.4
229.15991	0.3
243.17426	0.5
243.35207	0.2
245.19060	7.3
246.19452	0.5
261.18588	0.4
271.17102	1.8
273.14954	1.0
287.16501	3.1
288.16660	0.3
289.18079	100.0
290.18427	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	291.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
69.30273	2.8
69.30666	0.6
76.89381	0.3
80.61665	0.3
80.73901	0.4
82.93422	0.3
99.08860	0.3
101.62414	0.3
103.12332	0.3
125.05969	0.4
125.70660	0.3
148.08824	0.8
149.09651	0.4
150.10400	0.7
151.11288	0.4
163.11197	0.6
165.12758	17.7
166.13113	0.6
176.12053	0.5
180.16641	0.3
189.12747	0.4
191.14444	0.4
193.42273	0.3
217.15948	0.4
247.20660	8.4
248.20961	0.9
254.92343	0.3
273.18631	5.5
274.19016	0.5
291.19656	100.0
292.20001	7.6
300.64642	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	1.9
69.29440	2.2
69.29867	4.1
72.41349	0.6
83.04916	1.0
93.06960	1.3
96.53422	0.7
97.06471	2.2
111.08022	0.7
120.45947	0.6
121.10126	14.5
122.10488	0.8
123.08065	0.8
125.09616	7.9
147.08081	1.1
163.11197	0.7
165.12762	2.1
185.11749	14.9
197.11748	3.9
209.11795	1.5
211.13324	1.1
247.13507	1.1
247.20618	1.7
273.18613	4.2
291.19662	100.0
292.19952	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	291.1965
Annotation	12-OPDA
Peak:m/z	Relative Intensity
58.85665	0.4
59.01252	1.8
65.96582	0.4
69.65600	0.3
70.07594	1.1
71.01258	0.4
73.02818	46.5
74.03159	0.6
101.02270	0.4
113.02382	0.4
113.46955	0.4
121.02861	0.4
161.04494	0.5
165.12762	4.3
224.82570	0.4
247.20746	1.9
273.18561	1.5
291.19659	100.0
292.19974	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	289.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87363	0.7
59.01245	5.5
80.02550	0.8
81.03326	0.7
83.04890	0.9
91.61194	0.6
93.03374	0.7
95.04904	1.3
97.06483	0.8
98.20558	1.8
106.04141	1.7
109.06457	2.1
119.08558	2.9
120.05762	0.7
121.06374	0.7
121.10132	0.8
123.08046	1.5
125.05978	1.0
125.09635	1.8
131.04964	0.9
137.09576	0.7
145.06517	1.2
147.08043	1.5
148.08806	0.7
149.09673	0.7
150.10422	1.0
151.11078	0.6
160.08861	1.0
161.09738	0.9
162.10370	0.9
163.11203	25.6
164.11475	0.9
165.12706	1.6
174.39130	0.7
175.11247	1.1
177.12753	1.7
177.91273	0.6
182.43065	0.6
189.12735	0.8
191.14349	22.4
192.14635	1.5
217.15944	2.4
227.17973	1.5
243.17564	1.5
245.19077	39.6
246.19438	2.2
271.17041	5.0
287.16602	0.8
289.18097	100.0
290.18402	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	287.223
Annotation	10,16-Dihydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
50.35499	0.4
54.78671	0.4
56.98749	0.5
60.82351	0.4
69.16850	4.7
99.08047	1.5
125.02349	0.5
129.09088	0.5
141.12784	2.2
155.14384	0.8
200.54027	0.4
200.87964	0.5
241.21768	0.9
269.21194	2.8
285.20731	1.9
287.22290	100.0
288.22604	8.9
292.51263	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.1605
Annotation	Mesembrine
Peak:m/z	Relative Intensity
58.78011	0.2
59.01249	0.5
64.59328	0.3
65.22459	0.2
70.18080	0.5
70.18466	0.6
74.65677	0.3
81.03337	1.5
89.75784	0.2
92.04932	1.0
93.03309	1.4
99.92488	0.4
107.03628	0.4
108.02061	0.4
108.04433	4.1
109.02831	4.1
121.02843	0.4
124.01536	0.4
133.02858	1.7
134.02371	41.1
135.03194	7.7
136.03938	36.9
137.02364	1.8
137.04233	1.5
148.04019	1.3
149.04697	1.6
168.74936	0.3
176.03432	4.8
176.04811	0.5
177.01740	0.5
177.04176	0.6
181.03761	0.3
187.07378	0.3
190.04872	0.4
192.04227	4.2
204.06619	0.4
260.16684	0.5
275.45245	0.3
288.16037	100.0
289.16324	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	289.1195
Annotation	Limazepine B1
Peak:m/z	Relative Intensity
53.17424	0.6
59.10369	0.7
80.04922	1.9
83.94235	0.7
90.65812	0.7
91.57063	0.7
92.04929	7.6
94.02847	0.8
94.06498	14.1
98.20556	2.5
102.88902	0.6
103.04128	1.1
104.04939	5.7
105.03335	4.4
106.02841	0.9
106.06507	50.3
107.03631	2.8
107.06843	0.9
108.04486	3.8
108.05067	0.7
110.02360	1.0
120.04437	16.3
121.05268	3.4
122.02351	2.1
122.06006	46.0
123.03155	9.2
123.06361	1.7
124.07538	2.0
131.03615	2.0
132.04449	10.1
135.03139	1.5
136.03941	2.2
138.05502	84.3
139.05867	2.1
140.07051	3.9
144.08063	1.1
148.03972	4.1
150.05507	28.0
151.05873	1.0
158.09628	1.1
159.06818	3.9
164.03394	0.7
166.04991	7.5
168.06532	1.1
172.07565	1.9
173.08354	2.2
174.05499	0.9
174.12785	4.6
184.11234	3.0
187.09920	1.4
188.07086	3.9
189.07913	7.6
191.05573	2.2
197.07217	1.4
198.07834	1.4
200.05753	1.2
200.10878	0.9
202.08690	1.6
202.12320	9.6
203.09389	2.7
212.09451	1.7
213.06601	4.8
213.10162	1.0
214.07364	1.0
215.11856	9.0
217.07356	18.2
218.07663	1.0
218.11824	1.2
226.07460	1.8
227.08195	2.1
227.11816	3.4
228.08768	1.6
229.09691	2.8
231.08942	6.8
231.11322	3.3
241.06178	1.4
241.09787	14.6
242.06952	1.1
242.10287	1.8
243.11351	14.3
244.11797	1.5
246.11307	8.7
253.09760	0.9
256.08408	1.6
259.10852	7.8
263.47000	0.9
271.10886	25.0
272.11292	1.8
289.11932	100.0
290.12213	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	287.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03301	0.6
59.01253	5.6
61.48645	0.4
69.03340	0.5
71.01260	0.8
71.04893	0.5
71.50757	0.8
71.98531	0.4
80.02535	0.7
81.03326	1.0
83.04898	1.4
85.06469	0.7
88.33654	0.4
91.05375	0.8
93.03335	0.6
95.04916	5.1
97.06452	0.7
106.04128	1.6
107.04903	1.7
107.08556	0.7
108.83820	0.4
109.06481	7.0
111.08071	1.0
117.06957	2.7
118.55143	0.5
119.04928	0.8
119.08573	1.0
121.06485	2.7
121.07249	0.4
121.10123	1.4
123.08061	4.3
125.02346	1.4
127.07580	1.0
133.06435	0.5
133.10126	1.3
135.08063	2.7
135.11719	0.6
145.06493	1.2
147.08064	6.0
149.09650	3.6
155.14362	0.6
157.06494	1.1
159.08057	1.6
161.09634	1.8
171.08038	1.5
172.08699	0.4
173.09654	1.0
175.11191	1.9
177.09065	0.9
185.09657	1.5
186.10434	2.7
187.11172	1.3
189.12770	5.0
191.10753	0.6
201.16475	1.1
215.14334	1.4
215.17976	0.5
225.16452	0.5
227.14488	0.7
231.13840	0.8
241.15912	0.9
241.21599	0.6
243.17514	29.8
244.17935	2.3
245.15446	0.8
269.15469	2.1
287.16525	100.0
287.22232	8.9
288.16861	11.4
288.22388	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	2.4
63.38762	0.6
67.99210	0.6
82.47321	0.6
84.55547	0.5
91.76103	0.6
97.06427	1.4
102.04635	3.4
115.05415	4.8
117.06985	100.0
118.07280	4.3
119.08534	1.1
123.08073	1.3
125.02312	1.7
125.09602	10.7
143.04930	1.4
144.05789	0.7
155.36630	0.6
175.03293	0.7
225.16460	0.9
229.43402	0.8
243.17479	2.2
269.15326	1.2
287.16519	70.6
287.22250	4.0
288.16891	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	286.239
Annotation	Prosopinine
Peak:m/z	Relative Intensity
59.01243	0.7
63.35348	0.4
70.02870	0.8
70.73694	0.4
70.84238	1.1
74.05975	1.2
78.95784	0.8
86.31284	0.4
97.06469	0.7
102.04610	0.5
115.05442	0.7
117.06995	37.2
118.04981	1.0
123.08060	0.5
125.09615	2.6
134.03259	0.5
141.08168	0.5
155.72141	0.4
209.92180	0.5
213.07631	0.5
240.23367	2.1
242.21271	1.7
242.24718	0.4
243.17485	1.0
256.22690	0.6
268.22763	1.4
269.15363	1.0
286.04550	2.1
286.23886	100.0
287.16537	31.1
287.24393	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	287.1653
Annotation	Micrandrol D
Peak:m/z	Relative Intensity
57.03317	0.8
59.01256	1.8
65.03832	0.5
69.03316	0.3
69.75313	1.8
73.68324	0.3
79.05405	0.7
81.03320	0.4
83.04895	0.6
95.04919	1.3
97.06487	1.2
98.20526	0.6
99.93678	0.3
102.04636	2.9
107.04921	0.3
109.06501	1.5
115.05428	3.4
117.06988	100.0
118.07333	4.2
119.08557	1.6
121.06492	0.5
121.10110	0.3
123.08060	2.1
124.28851	0.3
125.02348	0.7
125.05929	0.3
125.09612	11.0
126.09959	0.5
135.08070	0.4
143.04967	1.0
147.08037	0.5
157.06512	0.8
159.08043	0.7
161.09608	0.5
175.11255	0.7
189.12782	1.4
215.14362	0.5
225.16399	0.8
228.15201	0.3
231.13860	0.6
243.17502	6.9
244.17818	0.6
256.08322	0.3
269.15509	1.8
280.14465	0.3
287.16519	88.9
288.16864	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1652
Annotation	Micrandrol D
Peak:m/z	Relative Intensity
50.91262	0.3
55.29519	0.3
57.03307	0.8
59.01256	0.9
65.03799	0.4
69.03307	0.3
71.01250	0.4
71.50331	0.3
79.05396	0.8
83.04916	0.5
91.05411	0.3
95.04906	0.3
97.06492	1.6
102.04623	3.7
115.05421	5.2
117.06984	100.0
118.07323	4.7
119.08540	1.3
121.80991	0.3
123.08059	1.3
125.02367	0.7
125.09610	10.0
134.03610	0.3
134.66588	0.2
139.03801	0.3
143.04941	1.0
144.05690	0.5
151.11063	0.3
157.06497	0.5
171.08022	0.4
184.35475	0.3
189.12859	0.3
191.32288	0.3
215.14343	0.4
225.16487	0.4
227.14372	0.3
241.15892	0.6
243.17557	1.8
269.15448	1.2
287.16522	74.4
287.22137	1.8
288.16840	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	285.04
Annotation	Fisetin
Peak:m/z	Relative Intensity
55.42253	0.2
59.01251	0.3
61.98689	0.2
63.02273	1.2
65.00190	2.8
66.00535	0.1
67.01772	0.2
68.99697	0.2
81.03313	0.2
83.01263	1.5
93.03339	1.3
95.01263	0.6
95.04895	0.2
98.19690	0.3
105.03329	0.9
107.01268	4.7
109.02811	0.7
117.03331	0.9
119.04892	0.4
121.02832	1.7
123.00734	0.5
125.02304	0.2
132.02094	0.4
133.02843	25.6
134.03172	0.9
135.00790	0.2
135.04436	0.4
136.98734	0.3
137.02341	1.0
139.00261	0.3
140.88390	0.1
143.04907	0.7
145.02846	0.4
147.00778	0.2
147.04407	0.3
147.69151	0.2
148.01587	0.2
149.02333	3.2
151.00264	8.7
155.04980	0.3
157.06490	0.4
159.04449	0.3
161.02347	0.3
163.00240	0.2
165.01845	8.9
166.02112	0.2
167.04945	0.2
169.01399	0.2
169.06496	0.3
171.04416	1.2
173.06078	0.3
175.03909	4.4
176.04372	0.3
177.01892	0.3
183.04546	0.2
185.05974	0.8
187.03906	0.8
189.05458	0.3
192.00558	0.4
195.04402	0.2
196.05243	0.2
197.05966	0.7
198.03191	1.1
198.76024	0.2
199.03926	3.7
201.01888	1.7
202.02216	0.2
211.03935	0.6
212.04561	0.3
213.05429	1.7
214.02618	0.3
214.06004	0.2
215.03464	1.0
217.05008	2.2
223.03940	0.3
226.02765	0.3
227.03668	0.3
229.05057	0.8
239.03502	0.5
240.04253	0.5
241.05006	2.2
242.02222	0.4
242.05432	0.2
243.02936	1.0
255.03065	0.3
256.03705	0.4
257.04462	1.3
267.02988	0.7
268.03772	0.4
284.03305	0.2
284.26700	1.5
285.04019	100.0
286.04364	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	285.0402
Annotation	Luteolin
Peak:m/z	Relative Intensity
59.01255	0.4
62.72696	0.2
63.02266	2.9
65.00194	2.5
83.01255	1.4
90.55638	0.3
93.03331	0.7
105.03342	0.6
107.01276	3.6
109.02824	0.9
121.02820	1.1
133.02844	18.1
134.03195	0.7
135.04373	0.3
143.04900	0.3
147.04407	0.5
149.02350	2.9
151.00273	6.3
152.00641	0.4
157.02913	0.3
159.04318	0.3
161.02438	0.3
169.01257	0.3
171.04428	0.7
173.02342	0.4
173.04465	1.2
173.05881	0.3
174.03247	0.2
175.03940	3.6
177.01859	0.5
185.05998	0.5
187.03961	0.3
197.06030	0.6
198.03149	0.6
199.03915	3.2
201.01924	1.6
211.03908	0.6
212.04431	0.4
213.05458	0.6
215.03391	0.5
217.05049	1.9
223.04054	0.3
227.03380	0.3
228.03786	0.4
229.05026	0.4
240.04192	0.3
241.05070	0.9
243.02911	0.9
256.03479	0.3
257.04105	1.1
267.02988	0.4
284.03030	0.3
284.26712	2.6
285.04001	100.0
285.27182	0.5
286.04333	6.3
287.99197	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.207
Annotation	Hexadecanedioic acid
Peak:m/z	Relative Intensity
57.03326	0.5
59.01249	0.9
63.76051	0.5
66.10414	0.5
67.42687	0.4
71.51030	0.8
78.95757	0.6
107.01249	0.7
113.49992	0.7
118.04565	0.5
119.00459	0.5
121.12027	0.5
133.02818	2.0
151.00270	1.1
161.67665	0.5
175.36519	0.5
195.17465	0.5
223.20621	59.1
224.20929	4.9
226.27507	0.5
241.05003	0.5
241.21690	1.7
267.19635	35.7
268.20004	3.0
285.04028	9.4
285.07153	1.0
285.20706	100.0
286.04379	1.0
286.21033	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	285.2072
Annotation	Hexadecanedioic acid
Peak:m/z	Relative Intensity
57.03314	0.9
59.01236	0.7
62.39988	0.3
65.00179	0.4
69.41517	2.5
70.79700	0.3
71.04872	0.4
78.95776	0.7
86.39498	0.3
87.67476	0.3
97.06469	1.0
99.08023	0.8
109.06510	0.4
123.04411	0.4
125.09602	0.5
133.02861	2.5
139.11150	2.0
141.12752	0.6
149.02328	0.4
151.00238	0.9
155.14319	3.1
167.14305	0.4
175.03958	0.6
191.43295	0.3
210.66789	0.3
211.20618	1.0
217.04945	0.4
221.19049	0.9
235.49513	0.3
239.20087	1.2
241.21831	0.5
257.04352	0.4
265.18121	0.6
267.19669	1.3
268.19827	0.4
285.04047	9.9
285.20709	100.0
286.04379	1.4
286.21027	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1757
Annotation	Gallicynoic acid C
Peak:m/z	Relative Intensity
57.03318	7.5
59.01249	51.6
60.99196	1.9
69.03335	8.7
69.30395	3.4
69.30804	14.5
71.01235	9.2
71.04887	17.6
71.91917	1.7
73.02819	5.7
77.62903	2.0
81.03336	3.2
83.01287	1.7
83.04898	7.1
85.02807	10.2
85.06456	4.9
87.00768	4.9
87.04395	6.7
89.02311	4.4
93.03323	13.3
95.04902	5.4
97.02837	5.8
97.06475	14.0
101.02303	4.5
107.08546	3.2
107.31103	1.9
109.06468	6.2
109.80162	1.5
111.04375	5.5
111.08054	6.8
113.02299	6.4
114.08110	1.7
119.07120	2.0
119.08579	1.7
123.08028	4.8
125.05951	2.9
125.09631	5.2
127.07556	3.2
129.09134	2.4
133.02831	6.8
134.03613	2.0
135.04405	4.9
137.02338	2.8
137.09631	4.0
139.07573	3.1
143.07043	9.9
149.09636	3.9
151.11206	2.9
153.09088	2.2
155.07066	5.4
155.10712	5.0
161.04514	4.8
161.13206	3.0
165.12816	3.6
167.10696	63.2
168.10974	2.3
173.04420	3.5
175.53583	20.2
176.03745	8.1
177.01900	4.7
178.02602	6.2
179.03377	2.2
179.14317	2.2
181.12291	3.4
183.10197	5.3
185.08168	2.3
191.05524	39.3
191.07141	2.8
193.12257	14.6
194.12688	2.1
195.10245	4.4
200.04761	1.8
201.01419	2.8
201.16418	4.5
202.00809	5.3
205.12280	6.5
211.13333	20.4
215.05482	1.7
219.17545	8.3
223.13377	9.7
229.69153	1.9
245.15448	2.0
263.16492	60.2
264.16989	3.2
281.17596	100.0
281.20801	4.9
281.24615	14.1
282.17963	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	281.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	0.8
57.03316	1.5
58.00471	1.1
59.01254	6.8
69.03320	2.8
70.37840	3.0
71.01243	1.5
71.04897	0.9
78.59973	0.9
83.04914	2.0
83.85703	0.7
93.06983	1.0
95.04897	2.2
96.01548	1.0
97.02840	2.4
97.06464	2.3
109.06464	3.1
111.08043	46.5
112.08414	1.9
121.10118	2.7
122.66931	0.8
123.08055	1.9
125.05973	0.9
125.09624	12.8
127.07545	2.0
135.08080	1.0
137.09644	3.1
139.07529	1.2
139.11195	2.5
141.09128	4.1
143.07072	1.3
149.09615	1.9
151.07573	3.8
153.09099	3.5
155.10703	3.0
165.09067	1.7
165.12830	1.9
169.08615	100.0
170.08951	5.8
171.10172	4.1
183.10191	13.9
193.08658	1.6
197.11771	1.8
199.09668	6.0
201.16508	0.9
214.64877	0.8
219.17499	4.9
235.16991	7.5
237.14952	2.9
245.15466	2.2
263.16519	23.3
264.16888	1.4
281.17603	41.9
281.21143	4.8
281.24310	1.2
282.17950	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1758
Annotation	Decumbenone B
Peak:m/z	Relative Intensity
51.34919	0.7
55.81208	0.6
57.03321	2.5
59.01242	5.3
69.26680	7.3
71.01243	1.4
83.04912	1.1
85.02774	1.1
95.04890	0.9
97.06483	3.5
98.03638	0.7
98.20605	1.5
109.06465	1.6
111.08076	3.9
121.06487	0.9
123.08075	7.4
124.24528	0.7
125.05953	2.5
125.09616	12.7
127.11198	5.1
129.09119	0.9
137.09634	1.7
139.07527	1.6
140.08238	0.8
141.09088	2.7
143.10658	1.2
147.07999	0.8
149.09581	1.1
151.07523	1.3
151.11169	1.6
153.09113	2.8
155.10696	8.6
157.08627	1.0
164.11916	1.4
165.12762	2.2
169.08600	1.9
171.10236	0.9
179.10614	1.0
183.13808	2.1
191.14355	1.6
199.09727	0.8
209.18938	1.8
217.15906	1.4
219.17488	34.9
220.17838	2.4
237.18530	12.2
238.18878	0.9
245.15456	3.0
253.18044	1.7
263.16519	27.0
264.16873	2.1
281.17581	100.0
282.17880	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18446	6.1
59.01006	8.3
59.01254	97.5
62.66775	6.6
68.28719	6.8
69.40409	62.7
71.01254	93.8
72.99204	8.0
73.02808	23.4
74.61278	7.6
83.01237	9.7
85.02811	35.6
89.02303	46.7
94.89322	7.0
98.19838	14.3
98.37524	8.0
99.00684	9.3
101.02321	87.2
108.81207	7.1
113.02340	37.0
119.03394	24.1
119.07019	10.4
125.47541	7.6
126.02969	10.3
131.03398	8.0
133.01459	21.9
150.04112	100.0
161.04459	54.2
173.11096	6.6
176.71478	8.0
281.12411	62.2
281.24753	55.0
282.08414	46.8
294.72977	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	281.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01735	1.6
57.03314	1.7
58.00461	3.2
59.01253	12.0
69.03320	3.1
70.64201	1.1
71.01248	2.6
71.37225	2.2
71.41940	1.1
77.17405	1.4
93.03346	1.2
95.01249	1.2
95.04903	3.3
96.95884	1.3
97.06451	1.6
101.02345	1.6
109.06474	3.1
111.07292	2.4
111.08042	39.6
121.10156	1.1
123.08058	3.6
125.05974	2.7
125.09603	11.2
127.07523	1.8
133.02815	1.7
137.09618	1.6
139.11169	2.6
141.09087	5.3
143.06995	1.9
149.09621	1.7
151.07501	3.2
153.09106	6.9
155.10645	2.8
161.36008	1.3
165.09088	1.7
165.12726	1.8
169.08612	100.0
170.08946	4.4
171.10216	6.0
175.53580	2.3
183.10202	19.5
184.10542	1.5
185.41563	1.2
191.05504	2.6
199.09659	3.9
218.49860	1.2
219.17509	3.1
235.16965	9.0
237.14920	3.5
245.15500	1.4
263.16479	20.9
264.16824	1.7
281.14417	2.4
281.17575	35.7
281.24295	2.2
282.17859	2.8
297.17056	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	4.5
59.01249	18.2
63.41682	1.1
69.03307	1.6
69.26064	11.9
71.01240	1.2
71.04877	3.0
73.66872	1.3
79.60648	1.1
80.02531	1.7
81.03321	2.3
83.04899	2.1
84.02026	2.1
88.59830	1.1
95.01263	1.5
95.04903	5.1
97.02821	4.7
97.06456	14.2
98.19844	2.7
111.07999	2.9
113.09596	3.1
123.07983	1.7
125.09602	3.2
133.06500	2.6
135.08040	9.6
137.09598	5.3
143.06998	3.4
149.09715	1.3
151.11198	9.8
153.09113	4.0
154.09920	1.3
163.11134	1.5
165.09097	7.6
165.12758	14.3
169.08588	3.3
177.12738	3.0
181.08615	5.0
181.12213	2.4
183.10149	1.8
191.05542	2.1
191.14352	3.0
195.10168	3.3
195.23109	1.1
205.12279	4.1
211.13399	1.3
219.17485	43.9
220.17834	1.9
223.13313	3.8
245.15378	3.7
263.16513	100.0
264.16870	7.4
272.48041	1.6
281.17575	70.9
281.24738	2.2
282.17841	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	279.1601
Annotation	Acrostalic acid
Peak:m/z	Relative Intensity
51.45649	1.4
51.45891	1.2
57.03323	5.9
57.28621	1.4
59.01246	53.6
67.01746	3.2
69.03339	4.4
70.82319	3.5
71.01251	3.7
71.04881	2.0
74.71062	1.3
80.02575	2.0
81.03339	6.2
83.01259	4.4
83.04903	9.7
85.02814	2.4
93.03333	1.7
95.04900	18.4
95.08338	1.6
97.00334	1.6
97.02827	21.7
97.06469	28.6
106.04133	1.7
109.06496	3.4
111.08057	1.9
113.06018	2.1
113.09612	3.2
119.08566	1.9
121.10104	3.1
123.04436	6.6
123.08045	2.2
125.05959	3.0
125.09624	1.5
133.06493	6.1
135.08064	11.4
137.09627	15.0
139.07533	10.4
143.07002	1.8
147.08034	3.0
149.05928	2.2
149.09605	7.2
151.07541	4.5
153.09132	5.0
157.08614	4.4
161.09560	2.8
163.07544	5.7
163.11177	31.9
164.11490	1.7
165.09155	2.3
166.09697	1.5
175.11203	2.6
179.07082	1.8
181.08612	11.4
181.12285	12.0
189.12857	7.8
197.08102	5.3
199.14915	1.7
217.15921	100.0
218.16260	8.6
219.03001	1.5
235.17038	4.4
261.14929	25.0
262.15237	2.6
279.15985	26.6
279.19543	3.4
279.23215	9.5
280.16330	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	279.1601
Annotation	3,4-Epoxy-6-methylcyclohexylmethyl-3,4-epoxy-6-methylcyclo-hexanecarboxylate
Peak:m/z	Relative Intensity
54.06180	3.5
57.03323	17.1
59.01247	40.1
69.03313	12.7
71.01252	43.5
73.02818	6.9
80.02512	3.5
83.04899	41.5
85.02814	7.3
86.80413	3.6
87.50826	3.7
89.02366	3.9
89.03092	3.4
93.03327	5.4
95.01221	4.4
95.04900	9.9
97.02852	4.8
97.06467	42.3
98.20567	12.6
101.02309	5.6
107.04903	4.3
108.38306	3.4
109.02840	5.0
109.06468	11.2
111.08065	7.9
113.02292	4.1
113.09625	4.9
115.12482	3.8
119.08537	6.0
121.06477	11.6
123.04411	9.0
123.08051	53.5
125.06008	8.6
125.09592	9.4
133.06454	5.9
135.08055	13.8
137.02357	4.9
137.05940	6.4
137.09641	30.0
139.07518	8.4
139.91478	4.1
141.09117	6.2
145.06520	5.6
149.09584	5.1
151.07516	17.8
153.09093	32.9
153.12743	4.2
154.09396	3.9
155.10664	16.7
162.10403	7.2
163.07578	48.5
163.11214	22.8
167.10663	4.6
179.92249	4.1
181.08626	52.3
181.12260	33.1
192.07837	3.9
196.07314	8.4
207.17503	5.1
211.05957	4.7
217.15918	84.0
218.16222	8.8
233.57018	3.5
235.17023	45.4
235.20656	7.9
236.17410	4.2
243.13644	5.3
251.16428	3.5
261.14932	27.2
261.18460	3.8
279.15970	100.0
279.19595	38.8
279.23199	48.7
280.16296	10.0
280.23544	4.3
296.06201	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	279.1602
Annotation	brefeldin A
Peak:m/z	Relative Intensity
52.67841	1.3
57.03329	1.9
59.01250	15.4
63.72938	1.1
65.03828	3.0
68.99677	1.8
69.03333	3.0
70.82936	2.8
71.01238	3.5
71.04893	16.4
75.24365	1.2
80.02554	2.2
81.03327	6.1
83.04897	8.4
85.02811	2.7
93.03352	2.6
95.04901	9.6
97.06463	8.6
98.03594	6.5
101.02319	3.5
106.04107	2.6
107.04906	1.3
107.08547	1.6
109.02834	4.1
109.06476	31.7
111.04404	24.7
111.08035	2.8
112.05203	2.8
113.02316	1.1
113.05936	1.5
115.07535	2.6
119.04890	1.6
121.06462	5.5
123.04398	2.5
123.08030	4.6
124.05190	1.8
127.07546	17.5
135.08052	3.7
137.05949	1.9
139.07526	2.3
141.09093	3.3
145.06438	2.8
147.07999	1.3
149.06000	2.2
149.09612	4.4
153.09087	1.6
157.08640	1.4
161.04498	1.5
163.11189	22.7
167.10645	4.8
177.09120	1.5
179.14297	4.4
189.12756	1.6
189.18199	1.4
207.10115	6.2
217.15913	48.1
218.16228	3.5
223.13353	4.2
235.16864	5.8
243.13780	2.5
261.14938	100.0
262.15277	7.4
279.12732	1.1
279.16034	34.3
279.19467	2.7
279.22946	6.4
280.16153	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	279.1603
Annotation	Acrostalic acid
Peak:m/z	Relative Intensity
55.30465	2.6
57.03311	8.8
59.01250	52.1
59.91516	1.9
65.00179	2.2
69.03314	8.2
71.01250	6.1
71.51329	2.6
73.02817	4.2
81.03326	6.1
82.35190	2.3
83.01225	3.2
83.04897	12.9
84.66100	2.2
85.02792	5.6
95.01253	3.0
95.04902	18.0
96.95918	2.4
97.02830	20.7
97.06467	31.0
98.03603	2.4
101.02307	3.6
104.12746	2.0
104.18183	2.2
107.04932	2.7
109.06438	3.2
113.05965	3.0
123.04400	5.8
123.08034	3.9
124.05184	3.1
125.09662	2.3
133.06470	8.9
135.08038	9.3
137.09596	11.4
139.07532	7.4
147.08080	3.0
149.05966	4.7
149.09630	6.2
153.09084	6.4
157.08583	3.5
163.07559	5.3
163.11186	30.5
165.09067	4.2
181.08640	11.6
181.12283	12.9
187.11198	2.4
189.12703	9.2
197.08061	5.8
199.14839	3.3
208.07838	2.0
217.15924	100.0
218.16264	6.6
219.02934	2.4
234.05293	2.5
235.16919	7.0
243.13721	2.7
249.07520	3.1
261.14896	37.5
262.15182	3.9
279.08594	2.6
279.12762	2.4
279.15952	42.1
279.19604	6.0
279.23148	29.2
280.16364	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	277.1446
Annotation	Hyrtiosenolide B
Peak:m/z	Relative Intensity
51.06667	1.6
57.03317	2.1
59.01259	11.2
61.98695	1.5
69.03319	2.6
71.01247	4.4
71.04894	48.9
73.02837	1.8
83.04901	3.6
89.02282	2.0
95.04907	4.1
97.61787	1.7
107.04895	9.0
109.02827	2.9
109.05721	3.1
109.06477	60.5
111.04387	9.3
119.04884	2.4
121.02846	4.6
121.06445	3.5
123.04398	4.2
123.08052	2.6
125.09508	1.8
127.07561	3.5
135.08025	1.9
146.08073	3.9
147.08066	11.4
149.09619	2.6
150.06731	2.3
152.34433	2.0
161.05983	3.0
161.09630	24.6
165.09135	69.1
166.09477	3.6
175.07512	3.8
175.11197	2.9
177.12769	36.9
178.13023	1.9
179.10683	2.9
204.11496	2.0
210.33069	1.8
215.14378	33.3
216.14673	2.7
221.11729	5.4
233.15425	21.4
236.23500	2.5
259.13385	45.1
260.13751	3.9
277.14423	100.0
277.17987	16.5
277.21494	33.7
278.14703	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	277.1808
Annotation	Panaxjapyne C
Peak:m/z	Relative Intensity
59.01255	1.5
61.58533	0.3
71.01245	0.7
71.41882	0.6
85.02818	0.4
89.30643	0.3
93.03313	0.4
95.04874	0.6
97.05762	0.3
97.06454	0.4
100.74418	0.3
109.06465	0.5
115.03919	0.5
121.02825	0.6
125.05968	0.6
134.07219	1.2
136.08826	1.1
137.09608	0.4
146.08110	0.8
149.09616	0.9
151.11186	21.1
152.11528	0.7
161.09583	0.3
163.11198	0.3
168.32448	0.3
176.11951	0.7
177.12767	0.9
200.48996	0.3
203.14304	0.4
205.15897	0.9
231.17455	0.7
233.19067	11.2
234.19405	1.0
259.16986	6.8
260.17255	0.8
277.18057	100.0
277.21609	19.5
278.18387	8.8
278.21976	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	275.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50760	1.0
59.01253	7.5
64.79173	0.9
70.30621	1.1
71.01248	1.2
71.51135	1.8
75.78085	1.0
79.95618	3.3
83.52806	1.0
95.01253	1.1
104.66702	0.9
105.06965	0.9
113.02319	0.9
117.03318	1.4
133.02863	1.3
134.03639	1.7
177.16411	2.7
205.12119	1.1
231.10191	1.9
231.21204	8.3
232.21611	1.1
275.09164	3.1
275.20151	100.0
276.20493	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	271.2277
Annotation	16-hydroxy hexadecanoic acid
Peak:m/z	Relative Intensity
57.83944	0.2
59.01256	0.2
63.83988	0.2
71.20451	0.4
74.92673	0.2
86.40422	0.2
107.01270	0.3
108.02026	0.6
109.02841	0.5
119.04936	0.5
125.02298	1.2
127.10001	0.2
151.00275	0.4
152.64088	0.2
180.12547	0.2
180.95992	0.2
219.81291	0.2
225.22191	4.0
226.22488	0.4
241.04950	0.6
253.21719	1.6
256.07220	0.3
269.21207	0.8
271.06113	0.7
271.22769	100.0
272.23126	8.7
272.26105	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2278
Annotation	2-hydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
51.48763	0.3
52.00156	0.3
52.40494	0.3
59.01240	0.3
61.97080	0.3
66.50464	0.3
70.07382	1.5
74.76675	0.4
84.02065	0.3
108.02068	0.5
115.52857	0.3
119.04925	0.5
125.02325	1.1
149.04799	0.3
197.19086	1.0
221.19057	0.7
223.20593	4.0
223.64442	0.3
225.22180	58.9
226.22537	5.1
241.05095	0.4
253.21681	1.3
258.35440	0.4
271.22766	100.0
272.23108	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29268	0.9
57.09915	0.9
69.20956	2.3
69.21371	8.6
72.05125	1.0
72.18824	1.0
72.96412	0.9
84.88467	0.9
107.91567	0.9
151.11205	1.4
153.12686	1.0
169.12253	100.0
170.12579	5.3
197.11749	22.6
198.12173	1.5
201.05511	1.2
229.04918	1.5
241.10770	79.8
242.11154	5.2
242.13353	0.9
254.24867	1.2
273.03973	2.4
273.07397	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	275.0925
Annotation	Prelunularic acid
Peak:m/z	Relative Intensity
52.17403	0.5
69.03300	0.7
71.51292	0.7
105.03350	1.1
125.02336	0.9
130.04057	0.6
133.02847	2.6
134.03642	6.7
135.04410	2.0
146.03632	0.9
151.07582	0.9
158.03645	3.1
159.04414	3.7
159.08078	0.7
161.02339	1.0
162.03162	2.9
172.05225	10.4
173.05998	7.2
174.06766	0.7
175.03944	0.6
177.01970	0.6
178.02548	0.5
183.04443	1.1
187.04100	4.1
187.07571	100.0
188.07918	6.4
198.06699	0.7
201.05499	9.8
202.06285	19.4
203.06711	1.5
203.10649	0.8
204.04303	3.0
213.09195	2.2
216.07834	0.6
231.10217	24.4
232.10641	1.5
275.09262	10.4
297.63153	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1964
Annotation	15-Methoxyisodauc-3-ene-1beta,5alpha-diol
Peak:m/z	Relative Intensity
55.01748	1.9
59.01242	4.5
63.70408	1.4
65.90356	1.4
69.03351	6.4
71.01248	3.4
71.04886	11.4
71.50294	1.7
75.84850	1.2
81.03324	1.7
85.02834	1.9
85.55013	1.3
97.06440	1.3
97.19299	1.3
98.95467	1.7
101.02306	4.6
113.02349	2.2
131.20096	1.6
161.04413	2.3
195.17546	1.8
213.06567	1.5
221.19032	3.9
223.20616	100.0
224.20908	7.5
259.79840	1.3
267.19635	54.4
268.20001	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	267.1965
Annotation	15-Methoxyisodauc-3-ene-1beta,5alpha-diol
Peak:m/z	Relative Intensity
57.03313	1.0
59.01250	11.6
70.70574	1.0
70.70911	0.6
71.01242	2.7
76.80135	0.4
83.04906	1.1
85.02809	0.6
89.02336	0.7
95.01228	0.5
99.07999	0.9
101.02307	1.8
113.02324	0.7
113.09570	1.8
120.96842	0.5
128.21082	0.5
130.44606	0.4
149.09590	3.6
161.04507	1.0
167.10683	47.2
168.10983	2.1
177.16386	0.9
193.41750	0.5
205.19542	1.3
231.17520	1.5
249.18565	30.0
250.18956	3.0
251.22861	0.5
267.19638	100.0
268.19974	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	268.0361
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00363	0.5
61.98687	0.6
62.15254	0.4
63.02272	6.8
65.00188	4.1
68.28408	0.5
69.35970	4.1
83.01254	3.9
96.87007	0.5
100.52307	0.5
107.01273	8.8
116.94163	0.5
117.02570	0.7
117.03351	8.5
118.67460	0.5
121.02850	0.5
133.96323	0.5
141.29034	0.5
148.01620	0.6
149.02338	3.4
149.99490	1.2
151.00267	7.3
155.04865	0.6
157.52892	0.5
159.04430	1.1
167.04915	0.6
169.01332	1.4
171.04422	2.5
172.05099	1.0
181.06548	0.6
183.04396	1.7
184.05215	1.1
191.05466	0.5
195.04443	1.1
196.05222	1.2
199.03999	0.8
201.05525	0.7
211.03951	6.0
212.04605	1.7
224.04799	0.6
225.05504	1.4
227.03471	1.0
239.03467	6.9
240.04251	6.6
241.04794	0.6
267.03027	2.7
268.03754	100.0
269.04477	48.7
269.21198	1.4
286.94943	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0454
Annotation	Apigenin
Peak:m/z	Relative Intensity
63.02264	1.8
65.00195	3.9
70.52338	0.3
70.52732	0.3
72.52279	0.1
77.57028	0.1
81.03313	0.2
83.01255	2.1
88.56139	0.1
93.03333	0.4
105.03330	1.2
107.01273	6.4
117.03343	26.2
118.03671	1.1
121.02840	1.7
139.03891	0.1
141.03358	0.1
148.01601	0.2
149.02345	9.9
150.02676	0.5
151.00275	11.8
152.00616	0.3
154.04128	0.1
155.04895	0.1
157.06490	0.5
159.04433	2.2
161.02412	0.1
169.01305	0.2
169.06500	0.6
180.05704	0.5
181.06531	1.7
182.03693	0.2
183.04456	1.9
184.04738	0.2
185.02371	0.6
196.05190	0.3
197.06036	0.7
199.03955	0.2
201.05557	1.9
202.05905	0.2
213.05499	0.2
224.04791	0.4
225.05522	4.6
226.05852	0.5
227.03458	1.9
241.05046	0.3
251.03505	0.2
269.04538	100.0
270.04874	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	265.1808
Annotation	OPC-6:0
Peak:m/z	Relative Intensity
56.13489	0.9
57.03310	2.0
59.01254	5.7
69.03340	1.6
71.01249	3.1
71.50307	1.5
73.02802	1.1
83.04884	1.2
84.40613	1.1
95.04890	5.3
96.95879	7.3
97.06469	20.8
101.02325	1.3
101.28876	1.0
103.03886	1.0
113.09582	3.5
117.80470	1.0
121.13194	1.0
135.04401	2.1
141.05446	1.5
145.21066	1.0
149.09602	9.2
157.08606	4.9
163.03920	1.4
167.10632	1.3
169.08589	1.8
177.05559	1.7
179.32053	0.9
181.15877	2.0
193.15898	2.1
221.19037	3.5
247.16997	5.2
265.14728	11.1
265.18060	100.0
265.21295	3.4
266.18356	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1807
Annotation	Tetranor-12R-HETE
Peak:m/z	Relative Intensity
59.01240	7.2
64.55748	1.0
69.03314	2.0
70.52785	2.7
88.99268	0.8
97.06477	1.5
97.57038	0.8
120.30305	0.9
121.10133	2.7
143.07011	3.4
149.09546	3.4
149.13283	1.8
151.11176	2.6
153.81020	0.9
155.07060	1.1
167.10678	49.9
168.11020	2.3
177.09140	2.3
195.10190	15.8
203.17984	2.1
228.10005	1.2
247.16986	20.7
248.17317	1.2
265.18060	100.0
266.18427	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	265.2171
Annotation	(7S)-Hydroprene
Peak:m/z	Relative Intensity
58.12959	0.5
59.01243	1.5
68.21777	0.6
70.41785	1.1
70.42150	1.1
79.51569	0.5
79.54002	0.5
79.95586	0.5
80.91756	0.5
85.02795	0.5
96.95886	16.0
109.42825	0.5
120.37080	0.5
149.52066	0.6
239.29716	0.6
265.14838	12.4
265.21710	100.0
266.15158	1.1
266.22055	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	265.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57504	1.0
59.01251	2.5
62.00230	1.0
70.65232	1.1
71.50049	1.7
94.88714	1.1
96.95885	36.1
96.96516	2.0
132.18237	1.2
135.77417	1.3
265.14798	26.8
265.21713	100.0
266.15033	1.4
266.21933	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	267.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	4.0
59.01251	5.8
67.06215	0.7
69.03313	0.9
71.01259	3.9
71.04885	0.7
73.02800	1.2
79.11910	0.6
83.28413	0.6
85.02806	1.8
89.02328	1.0
95.01211	0.7
95.04899	1.9
97.06469	12.6
99.08051	1.2
101.02319	2.5
105.05468	0.7
113.02302	2.2
113.09602	9.2
125.05959	1.3
141.05522	0.8
143.03334	0.8
143.07034	39.5
144.07364	0.9
151.11147	1.4
161.04454	0.8
205.19656	1.1
223.20609	1.6
231.17633	0.8
249.18553	38.6
250.18938	2.9
252.04156	0.6
265.18213	0.7
265.97488	0.6
267.10754	1.8
267.19632	100.0
268.19980	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	261.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
58.49546	1.6
59.01247	9.5
69.70294	6.8
69.70702	3.1
71.01247	2.1
71.53354	1.5
71.92444	1.3
80.02535	1.8
81.03336	2.1
83.04883	3.9
91.05418	2.9
95.04908	3.4
106.04119	3.0
107.04893	1.5
109.06467	19.3
111.08025	4.6
115.07541	2.6
119.08495	1.8
121.06463	3.7
123.08030	9.2
125.09596	4.1
135.08060	3.8
145.06490	4.9
149.09656	3.8
160.87474	1.3
161.09686	2.7
163.11195	21.7
164.11522	1.6
170.99451	1.5
171.74684	1.3
183.13866	3.9
187.09627	1.9
188.11874	1.3
189.12740	3.9
193.12332	2.1
211.13342	60.6
211.34157	1.3
212.13728	4.1
217.08818	2.2
217.15921	50.2
218.16335	3.0
238.91156	1.6
243.13789	2.5
259.13342	3.6
261.07639	4.6
261.14954	100.0
261.22134	7.4
262.10901	1.6
262.15363	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	263.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
69.34512	4.4
69.34936	5.3
78.22237	1.2
85.53143	1.0
94.33080	1.1
100.39770	1.0
101.02354	1.1
248.52484	1.2
263.09229	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	3.1
57.67941	0.6
59.01247	7.6
62.05984	0.7
67.01775	0.6
69.03323	1.2
69.80483	2.5
69.80896	1.4
71.01257	0.9
83.04887	2.3
88.24842	0.6
93.03339	0.7
93.06969	0.9
95.04899	9.0
97.06465	28.9
111.08045	1.5
112.27567	0.6
113.09584	3.3
121.10116	19.6
139.07526	2.1
141.05490	1.2
147.08038	6.6
157.08606	11.3
163.11171	0.7
165.12767	6.1
166.28600	0.7
169.08658	3.3
181.08588	1.7
183.10135	1.7
191.14323	1.2
195.10167	1.4
201.16437	2.3
214.10945	0.7
217.38622	0.6
219.17499	4.8
245.15422	4.2
262.71002	0.6
263.16498	100.0
264.16821	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	263.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	3.8
59.01245	7.6
68.32019	0.7
69.03323	1.4
71.01258	0.9
83.04885	1.6
93.03318	0.8
93.06980	1.0
95.04900	5.9
97.06465	21.8
98.06833	0.9
99.08002	0.8
108.67693	0.7
111.08031	3.1
113.09634	3.2
119.08575	0.8
121.10103	13.9
122.10433	1.1
125.09566	1.3
137.09615	1.1
139.07486	1.7
143.07036	0.8
147.08051	4.5
148.02290	0.7
149.09607	1.0
157.08614	10.7
162.10426	0.8
165.12776	5.3
169.08582	2.5
181.08594	1.5
183.10301	1.1
191.14326	2.0
201.16353	2.0
219.10107	0.7
219.17505	9.0
235.16972	1.3
245.15407	6.6
263.16498	100.0
264.16800	7.1
264.19223	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1651
Annotation	12-Oxo-2,3-dinor-10,15-phytodienoic acid
Peak:m/z	Relative Intensity
55.23789	0.7
59.00959	1.0
59.01252	20.3
70.99370	2.1
84.55113	0.9
86.47118	0.7
106.04143	0.8
123.58989	0.8
135.07999	0.8
148.08823	2.9
151.11156	1.1
161.09700	0.9
163.11185	5.2
165.12758	31.5
166.13118	1.6
170.03354	0.7
179.50307	0.8
189.12729	2.7
191.14346	9.7
192.14655	1.3
219.17519	10.2
220.17834	1.3
226.54213	0.9
245.15382	4.6
262.59430	0.8
263.16513	100.0
264.16827	7.8
281.20639	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2015
Annotation	(E)-Nerolidol acetate
Peak:m/z	Relative Intensity
59.00956	0.5
59.01247	8.0
63.35225	0.4
71.01246	1.3
71.50992	0.7
83.04889	0.6
85.02817	0.5
95.04887	0.8
97.06479	0.9
98.35654	0.4
101.02328	0.5
121.10127	0.8
134.76393	0.4
148.08820	0.7
163.11234	0.8
165.12779	4.7
175.03925	0.8
183.32420	0.5
191.14310	1.2
219.17564	2.4
219.21062	1.0
229.66107	0.4
245.15436	0.8
245.18999	0.6
263.09164	1.4
263.16568	15.9
263.20139	100.0
264.16812	1.9
264.20468	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	259.0822
Annotation	Latifonin
Peak:m/z	Relative Intensity
57.03336	2.7
59.01246	5.6
67.01771	4.1
69.03323	3.7
71.01252	12.1
71.51347	3.7
73.02818	25.9
73.22955	2.5
80.02547	6.9
81.03328	4.9
85.02809	4.1
93.03316	3.9
93.06985	3.8
97.02836	7.5
106.04106	4.2
107.04906	9.8
109.02839	8.8
109.06478	49.8
111.00768	10.6
111.04405	86.6
111.05151	5.5
112.04751	3.1
117.64618	2.7
121.06481	74.7
122.06833	3.5
123.04428	5.1
124.01563	8.8
135.04424	2.9
139.07539	48.2
153.05502	14.9
153.09099	19.9
155.03523	3.0
156.00507	3.5
165.05484	100.0
166.05830	7.1
166.84534	2.8
183.06607	13.3
197.08081	13.4
215.09163	20.3
227.05544	20.1
237.05873	2.8
241.07120	17.0
259.04669	5.3
259.08200	43.0
260.08282	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77157	2.3
54.93161	2.6
59.01253	2.3
60.24600	3.0
61.52943	2.7
63.16428	2.4
69.39411	22.4
82.66917	2.8
83.04888	5.2
84.02053	2.9
93.03368	5.5
98.19839	6.0
127.16794	2.4
135.04398	9.7
161.02356	6.2
163.11179	7.1
165.12794	3.5
179.03336	4.0
180.42664	2.9
180.55443	3.0
182.14615	3.1
183.10236	3.6
201.63887	3.1
209.11757	100.0
210.12173	8.4
227.12796	10.6
242.07567	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	253.0926
Annotation	3-beta-D-Galactosyl-sn-glycerol
Peak:m/z	Relative Intensity
51.85568	1.3
55.01755	2.8
57.03310	2.0
58.00457	4.5
59.01250	100.0
67.35619	1.6
71.01253	52.8
72.99163	4.7
73.02812	7.2
78.95768	3.6
82.99021	1.6
83.01249	5.4
85.02808	10.6
87.00745	5.9
89.02309	47.6
95.01257	2.7
98.19976	7.6
98.20650	3.2
101.02323	47.9
113.02330	24.6
114.02618	1.9
118.99500	1.6
119.03378	12.5
123.63665	1.6
143.03351	5.0
156.33214	1.7
161.03192	2.7
161.04446	21.8
179.05540	7.6
253.09253	59.6
253.21689	3.3
254.09619	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	253.217
Annotation	Sapienic acid
Peak:m/z	Relative Intensity
50.75185	10.7
51.28131	11.3
56.61396	12.7
59.01252	24.4
59.49092	11.9
86.60724	10.7
87.85942	11.8
94.95209	10.3
109.66238	11.8
115.58986	10.0
131.03789	13.0
147.86700	11.6
196.64119	11.3
209.69907	11.3
244.97003	10.8
253.21729	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63407	0.3
69.03342	0.4
69.23428	0.3
72.17095	0.3
80.02547	1.8
81.03355	0.6
83.04915	0.4
84.02042	2.2
101.84724	0.3
116.25048	0.3
133.02827	0.5
140.04549	0.4
153.09093	0.6
176.98926	0.3
185.04454	0.4
191.14270	0.4
193.15915	1.5
209.15399	1.4
219.13831	2.2
237.14922	100.0
238.15240	8.2
244.01385	0.4
255.13170	0.5
255.16013	7.4
255.23257	29.6
256.16382	0.6
256.23721	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	259.0224
Annotation	beta-D-mannose 6-phosphate
Peak:m/z	Relative Intensity
59.01238	0.4
70.87730	0.5
70.88064	0.9
71.01257	0.6
71.96154	0.4
78.95774	100.0
95.19476	0.4
96.96839	96.8
101.02299	1.0
115.56291	0.5
138.55244	0.4
138.97911	7.1
158.66104	0.5
168.98961	2.2
178.95967	1.8
183.90837	0.4
190.18800	0.4
190.22813	0.4
198.90387	2.1
199.00064	2.9
213.05130	0.4
214.93588	0.7
216.90553	9.1
217.90642	0.7
234.91705	2.2
240.91591	1.6
241.01180	2.1
258.91879	4.2
259.02231	23.7
259.91898	0.6
260.02478	0.5
274.01471	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1494
Annotation	6-Hydroxy-14-sesquilimonenoic acid
Peak:m/z	Relative Intensity
59.01252	12.8
65.27605	1.5
68.22030	1.6
69.03326	36.3
69.77802	4.6
69.78202	3.2
83.04881	2.4
84.88158	1.5
95.04899	4.6
95.52359	1.6
97.06468	1.8
111.08039	2.0
133.10283	1.9
134.07164	2.0
161.13300	2.0
167.10719	3.2
179.10608	2.2
185.06302	1.7
187.14839	3.3
193.12263	10.2
205.12294	9.7
205.15926	16.0
221.15445	14.5
231.13882	37.7
232.14108	3.7
246.31331	1.9
249.14944	100.0
250.15144	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	251.165
Annotation	8,10-Dihydroxy-2,6,10-trimethyl-2,6,11-dodecatrien-4-one
Peak:m/z	Relative Intensity
55.85673	0.7
59.01259	3.4
65.99715	0.6
69.03326	1.4
70.02624	0.6
70.98061	0.7
70.98441	1.7
71.01249	2.8
75.84930	0.7
85.02817	1.5
101.02325	2.9
108.81193	0.6
113.02319	1.7
121.02848	0.6
161.04471	0.8
165.01912	0.6
195.13872	8.0
205.15895	1.1
207.13879	2.6
207.17474	7.7
223.16982	25.1
224.17302	2.3
233.13199	1.3
233.15422	19.1
234.15819	1.4
251.16512	100.0
252.16850	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	251.2014
Annotation	Hugonianene B
Peak:m/z	Relative Intensity
59.01238	2.7
71.01234	1.4
76.53134	0.7
89.02288	0.9
90.92085	0.8
101.02327	0.9
102.83804	0.8
113.02289	1.2
118.39655	0.7
136.21133	0.7
158.63091	0.9
251.05490	1.0
251.20135	100.0
252.20470	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	247.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22245	0.7
54.70453	0.6
57.03320	1.0
58.66326	0.6
59.01248	22.4
60.87239	0.6
63.17909	0.7
65.18065	0.6
70.11630	2.7
71.01247	7.1
83.04892	1.9
88.27274	0.7
89.02289	0.7
103.03887	2.8
107.08528	0.7
121.10088	1.8
133.06476	0.6
135.11742	0.8
149.13261	10.1
150.13582	0.7
157.04996	0.8
161.13258	0.6
174.99225	0.8
175.14827	3.3
186.95622	0.9
191.10651	1.0
203.17976	30.6
204.18311	2.2
229.15904	2.3
247.06085	1.6
247.09964	1.5
247.17010	100.0
248.17348	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	247.2063
Annotation	Sterol
Peak:m/z	Relative Intensity
51.01784	0.1
55.18538	0.1
57.58159	0.1
59.01238	0.2
62.43697	0.1
64.59089	0.1
66.91453	0.1
70.48535	0.2
70.48923	0.3
71.01255	0.9
72.94506	0.1
76.24906	0.1
79.95578	0.2
80.02532	0.3
83.75025	0.1
87.35155	0.1
93.03364	0.2
103.03890	0.5
106.04118	0.3
107.48772	0.1
108.02065	0.1
111.08031	0.2
112.08190	0.1
119.04918	1.1
147.07990	0.3
148.08838	2.5
149.09554	0.4
150.10413	1.2
151.11165	0.4
154.08369	0.1
154.66022	0.1
163.11206	0.5
165.12779	2.0
173.04300	0.1
175.11118	0.1
176.11960	1.2
177.12735	0.6
179.14317	0.6
184.00099	1.9
189.12749	0.2
190.09967	0.2
191.00903	0.2
191.14362	0.4
192.11545	0.2
202.93947	0.2
204.15161	0.2
219.17447	0.1
229.19563	0.3
231.17560	0.1
237.05142	0.1
245.19066	0.4
247.20631	100.0
248.07933	1.4
248.20982	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	243.1237
Annotation	Pandangolide 1
Peak:m/z	Relative Intensity
57.03320	1.7
59.01245	1.9
65.03817	1.1
69.39124	7.6
71.04895	3.8
83.04903	1.2
90.69176	1.1
95.04916	0.9
97.02807	6.8
97.06464	1.6
99.00768	20.0
101.02258	1.0
109.06469	1.7
110.03604	2.6
112.97868	1.0
123.08025	1.1
125.09606	7.7
127.03926	1.6
136.05280	1.7
140.47772	1.0
142.02611	2.0
153.12756	1.2
155.14375	2.2
162.13042	0.9
163.11215	9.0
181.12276	26.2
182.12572	1.9
197.11902	1.4
199.13353	21.3
200.13661	1.6
207.10217	50.9
208.10547	4.4
225.11290	100.0
226.11604	6.9
243.12367	98.8
244.12741	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	243.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	1.2
59.01248	6.5
70.05065	0.6
71.01250	1.3
71.04882	2.4
71.50644	0.9
71.51009	0.8
78.42853	0.6
83.04864	1.3
91.86591	0.6
97.02823	3.7
97.06405	0.6
99.00756	12.9
100.01553	0.7
109.06464	1.0
110.02417	0.6
110.03657	0.6
125.09617	3.8
127.11190	3.5
136.05222	0.7
139.11227	4.9
142.02618	1.3
143.10599	0.6
153.12839	0.9
155.14282	0.8
163.11192	4.9
171.10149	1.2
181.12262	20.1
182.12590	1.5
183.10165	6.7
197.11728	2.0
199.13335	46.5
200.13744	3.5
201.11317	1.3
207.10197	31.3
208.10475	2.8
225.11273	63.9
226.11552	5.6
243.12343	100.0
244.12732	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	243.1234
Annotation	Pandangolide 1
Peak:m/z	Relative Intensity
57.03331	0.6
59.01256	3.5
59.83091	0.7
71.00541	1.6
71.01261	1.6
71.04891	2.1
79.24176	0.7
81.03337	0.8
82.02865	0.8
83.04918	1.7
85.93768	0.7
95.04935	0.9
97.02843	1.7
99.00759	5.2
109.06496	2.1
110.02369	2.2
118.37348	0.8
119.04867	1.0
119.10957	0.7
123.08040	0.9
125.09644	2.8
131.84216	0.8
143.11559	0.7
153.12775	1.1
155.14392	1.0
163.11198	4.8
171.10088	0.9
181.10803	1.3
181.12267	16.3
197.11752	5.5
198.12244	1.0
199.13393	48.3
200.13660	4.1
207.10201	12.8
208.10478	1.0
215.12901	1.4
225.11276	32.3
226.11678	2.2
229.07440	2.3
243.12376	100.0
244.09816	6.8
244.12733	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	245.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50336	0.4
59.01249	42.5
69.43797	4.3
71.04910	0.6
73.33549	0.5
121.20895	0.5
127.11182	4.7
139.11162	1.7
155.10634	2.7
157.12248	19.3
158.12564	1.0
170.31593	0.6
185.11742	14.8
186.12097	1.7
196.81934	0.5
201.11259	0.8
203.12816	100.0
204.13170	6.6
236.92979	0.5
245.04538	0.6
245.08241	1.6
245.13908	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	247.1701
Annotation	4-Methoxy-1,9-cadinadien-3-one
Peak:m/z	Relative Intensity
51.84897	0.2
59.01265	0.2
70.25552	0.4
71.01259	0.5
80.28913	0.2
97.38039	0.1
98.20459	0.2
103.03867	0.3
105.13854	0.1
108.06178	0.2
180.11980	0.2
184.00075	0.2
185.95929	0.2
205.15845	0.3
220.16975	0.5
231.13997	0.4
247.17006	100.0
248.17363	10.8
248.20036	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0871
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92429	1.1
59.01241	0.9
67.01756	11.4
68.99689	36.1
69.03320	15.5
71.01255	1.7
71.50991	1.4
71.51366	1.0
81.03322	1.0
87.04384	2.9
95.01263	29.4
95.04890	2.4
97.02820	8.8
101.02322	100.0
102.02652	2.9
110.02391	1.3
122.02157	1.0
123.00771	1.0
123.04404	12.3
127.03904	18.9
128.04222	1.2
131.07898	1.0
141.05469	41.4
142.05792	1.8
155.03403	64.1
156.03690	2.2
170.05402	0.9
173.83884	0.9
199.06018	1.4
203.41464	1.0
243.08745	4.2
243.12321	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	2.7
59.01249	56.4
67.01746	1.1
69.03325	2.2
72.99182	9.5
73.02821	1.2
75.79629	0.9
85.06453	1.6
90.65427	0.9
94.49082	1.0
101.02327	1.1
107.08553	3.9
109.06429	1.3
110.95227	1.0
121.10123	1.6
123.08033	2.9
125.09526	1.6
127.05245	0.8
137.02299	1.7
139.11189	3.8
155.10686	4.6
167.07025	1.3
181.12213	1.6
183.10185	62.8
184.10478	4.4
199.09653	2.3
201.11249	100.0
202.11555	6.8
207.10226	1.9
210.92946	1.0
215.12784	1.9
225.11235	9.9
226.08417	0.9
243.02950	5.4
243.06401	2.0
243.12297	9.3
243.15958	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0713
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01831	3.7
59.01250	4.4
67.01765	39.8
67.76900	4.0
68.99683	68.7
69.03327	6.8
69.38213	29.3
71.01273	3.9
74.10760	3.6
87.00735	8.5
89.93974	3.7
91.05441	5.3
93.03345	12.7
95.01237	9.3
95.04900	100.0
96.05271	4.3
97.02847	5.3
101.02319	86.2
107.04910	13.2
108.02120	4.4
109.02828	8.9
111.00759	30.6
119.04893	13.1
121.02823	31.0
122.56561	3.7
123.04405	9.6
127.03896	89.0
135.04451	5.7
137.02328	20.9
139.00267	58.3
139.03900	16.8
147.04384	4.9
155.03395	8.0
165.01822	60.0
165.05516	12.5
167.07033	16.1
179.07062	13.0
182.32480	3.7
183.25989	3.6
184.05292	4.0
209.04465	16.0
211.06120	6.4
241.07146	14.6
241.10707	7.2
241.14459	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	241.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17709	0.7
59.01250	1.9
61.98698	0.6
67.01759	3.3
68.10582	0.7
68.99705	3.7
69.03320	1.8
69.41895	3.3
69.42320	1.5
73.02808	0.8
82.04010	0.9
87.31023	0.6
95.04901	9.5
101.02317	6.5
111.00755	2.4
121.02851	1.7
123.04422	1.5
127.03896	6.2
128.04260	0.7
137.09567	0.9
139.00262	6.4
139.03920	2.0
165.05556	0.9
169.12250	100.0
170.12602	6.6
176.49564	0.7
179.10799	0.7
197.11763	18.9
198.12109	1.5
213.97920	0.6
241.07048	1.3
241.10768	34.3
241.14528	2.9
241.17931	0.8
242.11089	3.1
261.93698	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0921
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01612	0.9
67.01744	1.4
68.38309	0.8
68.99677	2.0
69.03316	1.0
69.23087	9.0
71.01264	1.2
73.02808	1.1
75.00425	0.8
81.03341	2.4
85.02852	4.4
87.00759	1.7
93.03368	2.1
95.04913	3.0
97.02808	1.2
97.06471	3.8
99.00739	1.7
101.02310	2.6
109.06448	1.9
111.00726	0.8
123.04398	1.1
125.02377	1.3
127.03897	1.1
135.04457	1.4
135.08058	2.9
141.05470	8.0
151.03860	1.0
151.11194	1.3
153.05476	1.0
158.54547	0.8
161.04510	2.6
168.66046	0.8
177.09129	2.4
179.05525	6.5
179.06906	1.5
186.39864	0.9
195.06573	2.3
195.10187	24.3
196.10629	2.0
239.05569	1.4
239.09178	17.7
240.09552	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	241.0715
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03340	4.6
62.70406	3.6
65.03859	3.2
67.01764	34.2
67.55577	3.0
68.89630	3.7
68.99682	56.1
69.03323	11.0
69.67924	24.8
69.68528	3.4
71.01270	7.1
75.00731	6.5
75.19676	3.4
81.32275	3.5
85.02831	5.3
91.05407	13.5
91.36954	3.6
92.05819	3.6
93.03350	13.3
95.01315	9.0
95.04900	38.7
97.02828	9.4
99.00736	4.5
101.02322	100.0
107.04903	30.5
108.01993	3.6
109.02836	22.5
111.00757	11.7
111.04380	5.3
119.04916	42.6
121.02851	26.0
123.04395	9.0
127.03901	49.5
128.63037	4.7
135.04428	18.9
137.02313	5.2
137.05969	10.2
139.00255	22.3
139.03908	17.8
147.04431	7.7
149.02336	4.2
149.05943	6.9
155.03502	5.5
163.04030	3.8
165.05463	11.5
167.07042	37.2
179.07007	31.1
181.05000	7.7
183.23145	3.8
209.04410	6.4
211.06023	12.5
224.20284	4.2
241.07092	34.5
241.14413	4.9
242.14378	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	236.1051
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	0.5
61.98703	0.4
62.80350	0.2
71.01295	0.3
71.21344	0.4
87.32953	0.2
94.36329	0.2
101.02320	0.3
104.87849	0.2
106.82513	0.2
112.88954	0.3
134.03659	0.6
135.04382	0.5
136.05209	0.7
148.05202	9.6
149.05782	0.5
149.09665	1.6
149.10635	0.3
157.99841	0.3
162.06754	0.3
165.96751	0.2
175.07597	0.4
176.08330	0.8
177.09129	44.0
178.09462	3.6
180.07758	0.3
190.09993	1.7
191.10667	1.0
192.11487	32.3
193.11856	3.6
201.09106	0.6
203.07127	0.6
217.08638	3.4
218.09427	8.2
219.09831	1.0
236.10504	100.0
237.10887	9.4
237.14595	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1492
Annotation	Rumphellolide C
Peak:m/z	Relative Intensity
53.86104	0.4
57.03326	20.7
59.01248	4.1
61.98711	0.5
67.09006	0.3
71.01260	0.8
71.08015	1.1
72.55494	0.4
82.00824	0.4
83.04880	3.6
83.35108	0.4
89.48440	0.4
94.59731	0.4
97.06503	0.6
101.02319	0.6
104.43951	0.4
109.06458	1.0
113.02306	0.5
118.16109	0.4
135.11717	1.0
149.09616	1.2
167.10710	3.1
177.12767	1.2
179.10693	2.9
193.15907	2.8
194.16385	0.6
195.13812	4.1
209.15388	0.6
219.13930	1.4
232.14905	0.4
237.14934	100.0
238.15266	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	239.0557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	5.9
57.03312	4.5
59.00956	5.4
59.01250	100.0
59.16427	3.6
67.01766	18.8
68.99691	47.3
69.03325	31.8
69.30720	30.7
71.01254	51.1
73.02809	4.2
81.03323	5.1
83.01245	26.8
85.02828	13.8
85.87968	3.2
87.00761	17.2
93.03342	27.4
95.01254	19.3
95.04887	13.7
97.02822	30.1
98.19862	7.2
99.00752	11.1
101.02319	46.2
105.03342	3.7
107.04912	24.3
108.02052	8.9
109.02870	8.1
111.00759	20.9
117.03306	3.4
118.63361	3.7
119.04908	8.0
121.02844	29.6
123.00755	5.7
123.04390	29.0
125.02327	11.6
127.00262	5.7
127.03915	26.8
128.08408	3.2
129.01807	11.4
133.02835	13.2
135.04395	32.7
136.01550	7.6
137.02328	23.0
137.05925	3.4
139.00238	8.0
139.03868	7.1
141.01822	5.0
142.02597	6.7
149.02345	26.1
151.03897	30.4
153.05479	6.9
154.99751	4.9
155.03416	10.5
161.02354	21.8
161.04460	13.3
163.03885	18.4
165.01840	19.7
165.05421	3.9
167.03404	7.7
169.01329	12.5
170.02132	64.7
177.01851	39.8
177.05495	4.1
179.03410	44.4
179.05513	65.2
181.04918	14.1
189.01851	7.0
193.04964	10.1
195.02922	8.9
195.06540	12.8
195.13861	9.4
207.02838	17.5
209.04491	18.8
211.06082	4.7
221.04465	4.9
223.02728	5.3
239.05502	47.2
239.07491	4.4
239.12788	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	239.0593
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96678	0.3
52.37136	0.4
53.80299	0.3
59.01252	8.7
59.96599	0.4
67.22771	0.3
69.21463	3.0
71.01231	0.4
74.98516	0.6
74.98942	10.0
75.96087	0.5
76.85027	0.3
80.66447	0.3
85.02806	0.8
87.00733	1.2
87.01233	0.3
91.02084	9.8
93.00016	4.3
99.00753	0.4
149.00848	4.4
150.00919	0.4
150.98709	0.3
158.33020	0.3
161.04420	1.4
177.60858	0.3
179.05525	5.6
195.13899	0.6
206.99615	2.0
207.99747	0.4
223.02776	100.0
224.02818	13.0
224.06110	0.3
239.05898	0.6
239.12830	0.9
239.16643	0.4
241.03836	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06793	0.2
53.71818	0.2
57.34248	0.2
58.16151	0.3
59.01252	5.7
59.96594	0.5
60.97387	0.5
67.01776	0.2
69.45003	1.8
74.98940	6.8
74.99358	0.4
75.00761	0.4
75.96120	0.3
91.02088	0.8
93.00005	3.7
93.03348	1.2
97.73664	0.2
116.05793	0.2
118.96169	0.9
134.99292	7.5
135.99301	0.3
136.97217	2.7
141.07320	0.4
143.05188	0.3
149.00865	77.0
150.00818	4.3
150.98773	0.9
152.61919	0.2
152.96695	0.5
159.08391	2.2
161.06310	4.6
162.06439	0.3
162.14996	0.2
167.01923	0.4
169.81500	0.2
173.04504	1.0
180.70821	0.2
188.98389	0.4
201.04016	0.4
201.11777	0.3
215.05562	1.6
217.07172	96.5
218.07298	10.6
233.10316	100.0
233.15286	9.9
234.10471	12.8
234.15749	1.0
246.36617	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.03
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03271	1.7
59.01256	21.6
66.51213	1.2
70.91339	2.6
71.01242	4.6
79.30419	1.2
81.29448	1.0
87.00768	1.6
93.02843	1.0
93.03331	6.1
129.01837	2.8
130.62569	1.1
159.06686	1.2
159.27600	1.2
167.88834	1.1
173.04486	7.2
202.17262	1.2
215.31877	1.2
233.06519	2.4
233.15442	100.0
234.15776	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	227.1284
Annotation	Ieodomycin C
Peak:m/z	Relative Intensity
70.64695	1.2
71.04873	0.5
80.02543	1.6
81.03329	1.2
83.01242	0.5
83.04887	6.3
84.02035	3.2
84.05220	0.4
87.40159	0.3
95.04879	1.0
95.27660	0.4
109.06501	0.5
125.05958	0.8
135.08032	0.8
163.11168	4.6
164.11519	0.5
165.12758	3.3
167.01120	0.4
181.12285	1.0
191.10689	1.6
194.45662	0.4
199.13329	0.8
209.11774	100.0
210.12111	9.5
227.12827	3.1
228.13136	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.0665
Annotation	N-Succinyl-L-glutamate 5-semialdehyde
Peak:m/z	Relative Intensity
59.01238	2.9
65.99727	1.0
68.01282	1.0
69.03320	1.8
71.01244	4.2
71.49362	0.9
72.99191	5.1
73.02814	4.2
80.04914	4.8
81.03337	2.0
82.02859	1.0
83.01255	0.9
85.02812	1.8
87.00743	22.7
95.01250	1.2
96.04394	1.1
96.96842	0.9
97.02835	2.7
98.02377	1.2
99.00752	1.8
101.02335	1.3
103.00235	1.1
108.04421	1.5
109.02837	14.3
111.00753	1.5
112.00292	10.6
112.03917	1.6
113.02310	1.0
115.00256	3.1
117.01801	2.1
121.02837	2.2
123.04404	2.5
124.03942	13.0
125.02341	6.9
125.51224	0.9
126.01830	1.4
127.03887	9.3
132.04443	5.1
132.98062	0.7
139.03944	1.0
141.01865	0.7
142.01382	0.9
145.01239	0.9
148.03906	0.9
149.02347	2.5
150.01868	7.1
150.05539	5.0
153.01826	3.8
156.02895	0.8
160.98459	1.1
166.04953	1.0
168.02864	0.9
169.01364	1.8
171.02895	21.8
172.03162	1.2
174.18906	0.8
176.03461	12.5
188.97023	1.9
189.03935	5.8
194.04538	10.5
195.04785	0.8
212.01988	2.1
212.05598	1.6
230.02948	5.0
230.06642	100.0
231.07021	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	227.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68172	0.4
67.01758	22.5
68.02078	0.4
68.99685	45.5
69.03320	2.5
70.00031	1.3
71.01250	0.5
71.50489	0.7
71.50881	0.7
72.99165	0.4
81.03370	0.5
97.02811	0.6
101.02319	100.0
102.02651	3.2
106.04128	0.5
107.04919	1.2
112.01564	1.0
121.06494	1.2
123.04389	0.9
127.03899	38.7
128.04263	1.4
135.04404	0.8
149.06003	1.2
151.03918	0.5
167.03387	0.6
177.05539	0.5
183.13814	1.4
199.57410	0.4
209.08156	1.5
209.11739	2.1
227.07202	0.7
227.09209	6.8
227.12804	1.2
227.16508	0.8
227.20111	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.092
Annotation	Loganetin
Peak:m/z	Relative Intensity
52.48560	0.6
54.25163	0.5
67.01759	22.0
68.99683	47.2
69.03317	3.0
69.36275	2.2
69.36703	3.0
70.00031	0.6
71.01243	1.1
76.08810	0.5
85.02841	0.7
87.52099	0.6
96.03135	0.6
101.02318	100.0
102.02664	2.1
107.04908	1.2
109.02807	0.6
112.01534	1.0
121.06510	1.1
123.04375	0.7
127.03899	38.3
128.04245	1.5
135.04320	0.9
137.02254	0.8
148.78926	0.6
149.05981	1.0
151.03958	0.7
157.05049	0.8
167.03514	0.7
179.72063	0.7
183.13858	1.9
209.08104	1.6
209.11752	2.0
227.09190	5.9
227.12823	2.5
227.16411	1.2
227.20142	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	225.1127
Annotation	Chloriolide
Peak:m/z	Relative Intensity
54.43425	0.5
59.01247	4.9
61.98698	0.6
63.78674	0.5
65.00182	0.8
68.99679	4.8
69.03336	2.0
70.25367	1.9
71.04900	0.7
73.02804	1.0
80.02543	0.9
81.03329	2.0
83.04883	1.2
84.02028	1.1
93.03325	1.9
95.01267	2.5
95.04873	0.8
97.02820	9.2
98.20501	0.5
99.00754	1.1
99.04432	0.5
101.02338	5.8
109.02916	0.6
109.06472	18.9
110.03613	4.1
110.06824	1.2
111.04391	0.7
121.06468	1.7
123.04414	1.8
125.09628	0.6
135.08047	3.4
136.05202	2.5
137.02351	0.7
137.09621	0.6
142.02623	5.7
151.07538	0.6
155.03394	4.0
161.09607	1.2
163.11192	15.2
164.11580	0.7
165.11205	0.5
179.10724	0.8
181.12270	14.1
182.12531	0.8
189.09184	1.0
190.09564	0.6
195.02899	1.1
197.11839	1.3
207.10207	73.5
208.10544	6.5
225.07645	2.5
225.11278	100.0
225.14905	3.5
226.11607	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	227.0556
Annotation	2-Hydroxy-3-carboxy-6-oxo-7-methylocta-2,4-dienoate
Peak:m/z	Relative Intensity
59.01248	2.4
71.01228	1.5
71.25302	2.3
86.91367	1.2
95.04908	1.6
95.08543	4.5
95.38956	1.2
99.00738	2.1
111.00759	1.5
112.98679	4.1
121.06483	15.2
139.07544	100.0
140.07854	6.9
151.03697	1.4
165.05479	29.1
165.12503	1.0
166.05775	1.4
173.00745	1.4
183.06546	21.4
183.13884	1.4
197.04599	1.3
209.11685	2.2
212.21642	1.3
213.63791	1.2
227.05565	25.9
227.12677	1.2
227.16486	1.3
227.20081	2.0
228.05742	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	225.0763
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87885	0.5
56.92941	0.5
62.00410	0.6
67.01763	5.8
68.99686	43.7
69.03329	2.4
69.20350	4.7
69.20760	1.0
70.00017	0.7
83.04917	1.1
93.03352	1.1
95.01263	4.5
95.04893	1.0
96.86250	0.5
97.41949	0.5
99.04391	1.9
101.02322	100.0
102.02666	3.0
106.04101	1.2
121.06501	2.1
122.03581	0.8
123.04404	18.3
124.04736	0.9
125.02337	3.6
127.03884	5.1
137.05975	1.7
149.05959	0.7
153.00798	0.6
155.03383	9.9
165.05460	0.9
166.06210	0.6
181.04976	0.6
182.99452	0.5
220.19658	0.5
225.07651	12.2
225.11154	1.2
226.07959	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1334
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
56.77515	0.1
67.80229	0.2
69.03308	0.8
77.41898	0.2
83.04902	0.5
98.19743	0.3
111.31503	0.2
124.29534	0.2
145.75908	0.2
155.10672	0.5
165.12788	0.6
167.10677	0.8
167.14294	1.5
168.14720	0.2
181.12129	0.2
183.13823	14.9
184.14189	1.2
192.30588	0.2
193.12254	4.0
194.12645	0.3
211.13333	100.0
212.13675	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	213.1128
Annotation	1-Methyl-3-(1-methylethyl)-1,2-cyclopentanedicarboxylic acid
Peak:m/z	Relative Intensity
57.03305	0.5
69.03309	0.7
69.73260	1.5
89.41803	0.3
91.36209	0.3
97.06447	1.0
106.28977	0.3
111.83589	0.3
151.11194	12.0
152.11578	0.6
158.50172	0.3
169.12263	100.0
170.12604	6.1
183.13869	1.1
195.10219	0.9
195.13858	1.3
213.11301	14.5
213.14830	5.1
214.11656	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	213.149
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
52.64470	0.2
59.01252	0.5
69.16849	0.6
69.17242	2.0
73.51859	0.2
83.04880	0.3
98.19773	0.4
100.77483	0.2
113.40563	0.2
151.17928	0.2
154.49527	0.3
163.52031	0.3
167.14349	1.4
169.12248	0.5
177.12802	0.4
183.12195	0.3
183.13832	5.8
183.15381	0.4
184.14230	0.5
185.14371	0.2
195.13838	16.8
196.14191	1.1
211.13354	1.8
213.14919	100.0
214.15260	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0294
Annotation	PURPUROGALLIN
Peak:m/z	Relative Intensity
53.08123	0.2
59.01252	0.2
61.98703	0.2
63.02264	8.1
63.80783	0.2
64.02609	0.2
64.98942	0.2
65.00191	3.4
67.01749	0.3
69.53293	0.5
69.53719	0.6
75.00722	0.3
79.01733	0.2
81.03324	0.6
82.03986	0.2
83.01248	0.7
85.02823	1.1
89.00209	1.1
89.03864	0.3
90.04139	0.2
90.23071	0.2
91.01765	0.2
91.05395	0.4
93.03326	0.2
93.74406	0.2
95.04914	0.3
103.05434	0.3
104.02591	0.2
105.03367	0.9
107.01268	3.2
107.04931	0.2
108.02037	0.3
109.02075	0.2
109.02830	3.4
111.00732	0.9
119.04921	1.0
121.02848	0.5
123.04380	0.3
131.04919	0.6
132.02058	0.9
133.02859	3.5
134.03490	0.2
135.00797	0.3
140.25139	0.2
147.04413	1.9
148.01546	0.9
149.02342	2.8
150.02829	0.2
151.00273	1.4
151.03952	0.5
153.01852	0.6
160.01559	0.2
160.05084	0.2
163.03937	0.2
175.00255	0.4
175.03922	2.5
175.07567	0.5
176.01044	2.2
176.04332	0.3
177.01855	2.5
191.03429	0.6
192.40442	0.2
201.01892	0.3
204.04225	0.3
219.02934	100.0
219.17488	6.7
220.03276	8.1
220.14607	0.3
220.17867	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.175
Annotation	4-NONYLPHENOL
Peak:m/z	Relative Intensity
59.01240	0.7
60.58571	0.2
61.98711	3.2
66.53804	0.2
66.77693	0.2
67.08019	0.2
68.60819	0.2
69.35438	0.2
69.39339	0.2
71.01266	0.4
71.50872	0.4
75.00745	0.7
78.52368	0.2
79.08955	0.2
80.02567	0.3
82.30508	0.2
93.03349	0.2
95.04916	0.4
106.04160	0.3
109.06444	0.4
119.04923	0.9
123.08020	0.4
135.08051	0.8
147.08054	0.6
148.08850	4.5
149.09589	0.8
150.10313	0.4
151.11238	2.0
163.11235	1.1
164.08360	0.3
165.12775	2.2
175.03911	0.4
175.07576	0.5
175.11229	0.4
176.12024	0.4
177.12727	0.2
191.03491	0.3
191.14337	2.4
201.16437	0.5
217.15968	0.9
218.99374	0.3
219.02916	0.8
219.06650	0.9
219.17503	100.0
220.17841	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	223.0279
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	0.9
59.96587	0.8
61.98692	0.6
64.85886	0.2
70.26561	0.6
71.01248	0.4
73.02818	0.4
74.98944	14.7
75.96087	0.7
75.98890	0.3
93.00011	9.1
93.99967	0.2
101.02298	0.6
107.04919	0.2
115.95486	0.2
121.02872	0.2
129.14211	0.2
149.00870	12.9
150.00916	0.8
150.98787	0.8
179.14282	0.2
193.01360	0.8
195.13910	0.5
206.99643	5.1
207.99686	0.7
208.03693	0.9
223.02782	100.0
223.13377	1.5
224.02824	12.6
225.00754	0.3
241.03874	2.2
242.03818	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0607
Annotation	Calaminthone
Peak:m/z	Relative Intensity
56.01167	1.2
59.01244	5.6
67.01760	10.0
68.99688	63.2
69.03327	100.0
70.00006	1.1
70.03672	2.3
73.02838	1.3
84.06738	1.1
91.05405	1.3
93.03341	7.1
95.56743	1.3
98.19817	3.7
101.02325	76.3
102.02651	1.8
105.82377	1.1
107.04919	1.4
119.04927	10.0
121.02851	36.9
122.03172	2.1
122.39823	1.2
123.04405	2.1
125.44581	1.3
127.03904	19.1
135.04407	4.2
141.27200	1.3
146.03714	1.3
147.04431	13.0
149.02338	17.8
153.01753	1.3
161.06046	1.8
163.03914	5.4
177.01845	2.0
179.07069	11.0
181.04962	9.4
191.03436	4.0
193.01341	1.9
220.37575	1.2
223.02345	1.5
223.05988	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	223.1334
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
57.03323	1.2
59.01251	6.9
61.98714	0.7
69.03327	7.9
70.12691	1.4
71.01257	1.3
71.04891	3.3
73.02828	0.9
83.04903	1.4
84.37585	0.4
85.02854	0.4
85.06454	1.6
92.63400	0.4
93.03346	0.9
95.04909	1.8
97.06468	0.5
101.02322	1.0
108.05650	0.5
109.06468	1.9
111.08031	0.5
123.08046	0.4
125.09583	1.5
133.10101	0.4
135.11694	1.1
137.02264	0.4
141.09152	0.6
149.09616	1.7
153.09116	0.9
160.34004	0.4
161.13290	1.2
165.01912	0.5
167.10677	11.1
168.10938	0.6
177.12752	2.1
179.10695	3.4
179.14333	10.7
180.14699	0.9
187.11180	0.7
193.01300	1.0
195.13841	29.7
196.14235	2.9
205.10283	0.9
205.12277	22.0
206.12538	2.1
208.03702	1.7
223.02802	1.4
223.06084	1.3
223.13353	100.0
224.13660	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	225.0762
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01759	6.1
68.99687	43.8
69.03330	50.4
69.35981	5.3
69.36394	9.0
70.03672	1.9
71.01247	3.0
73.02805	1.6
79.01747	10.4
81.03340	5.6
83.04888	2.2
85.57180	1.9
93.03344	4.9
95.01263	33.7
95.04906	1.8
97.02827	8.9
101.02323	60.9
102.02654	1.7
108.01995	2.2
109.06467	1.8
111.04402	32.0
121.02836	7.9
121.06492	2.2
123.00771	15.2
123.04411	23.5
124.04768	2.2
125.05963	2.6
135.04404	2.4
137.02330	4.1
149.02383	4.1
149.05981	2.6
155.03412	100.0
156.03766	3.9
163.11209	2.0
165.01848	3.1
165.05533	5.0
181.04924	5.1
181.08676	2.1
192.99490	1.7
193.04965	5.9
207.10254	3.2
225.04013	2.4
225.07611	5.4
225.11336	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	209.1177
Annotation	Pulchellon
Peak:m/z	Relative Intensity
50.63166	0.9
55.17796	0.9
57.03324	4.7
57.88960	0.8
59.01233	3.4
61.98703	4.5
68.99692	0.9
69.03320	2.2
71.01248	16.5
71.31013	1.7
73.02794	1.0
73.90336	0.9
80.02534	1.4
81.03356	2.1
83.04908	7.0
84.02066	1.4
87.89072	0.9
91.01772	1.2
92.99660	1.6
93.03343	2.3
94.02874	1.2
95.04902	3.6
97.06456	4.6
107.04940	1.6
108.02089	1.0
109.02842	1.6
111.00801	1.1
111.04413	1.1
111.08040	2.6
112.36491	0.9
118.07139	1.1
120.02052	1.2
121.02843	86.9
122.03173	3.5
123.00832	1.2
123.04361	1.7
123.08018	1.3
124.03954	5.3
125.02361	1.2
125.09615	5.8
133.26869	0.9
134.03621	1.2
135.04433	5.0
135.07999	1.7
136.01576	1.8
137.02411	1.3
137.05962	4.3
137.09576	1.2
139.00266	1.4
145.10120	2.0
147.11688	1.4
149.02409	1.4
151.03880	2.2
151.11192	19.7
152.11542	1.6
153.12741	2.2
161.02351	2.2
163.11235	6.2
164.98242	0.9
165.01695	1.2
165.05493	2.6
165.12762	17.2
166.02716	1.3
166.13005	1.0
173.09564	2.3
176.04706	2.1
178.99805	1.6
179.03453	5.5
179.10710	4.3
179.16840	0.9
181.12260	28.4
182.12547	1.4
191.10736	15.9
192.11047	1.5
194.02142	2.6
194.05768	5.2
209.00813	1.9
209.04523	15.0
209.08179	5.0
209.11766	100.0
209.94824	1.7
210.12114	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	209.1177
Annotation	6-Oxo-7(9)-dehydro-6,7-dihydrogeranyl acetate
Peak:m/z	Relative Intensity
53.28885	0.3
57.03318	2.9
59.01250	100.0
60.01595	1.4
69.53936	2.3
69.54357	0.7
69.93012	0.4
79.01182	0.4
80.02568	0.4
81.03336	1.6
83.04913	0.7
97.06461	2.9
109.06478	3.1
121.02830	3.7
135.04489	0.6
165.12753	3.8
209.04398	0.7
209.11772	14.4
210.12125	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	211.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03322	0.7
75.69442	0.3
83.72861	0.4
98.19804	0.7
148.35320	0.4
155.10739	0.6
167.14316	1.4
167.40013	0.4
183.13840	15.7
183.96875	0.4
184.14183	1.0
190.69774	0.4
190.71457	0.4
193.12260	4.6
211.13339	100.0
212.13670	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	209.1177
Annotation	Pulchellon
Peak:m/z	Relative Intensity
55.01744	0.9
57.03092	0.7
57.03323	7.5
58.00465	1.8
59.01231	1.3
69.03319	2.3
70.24953	1.4
70.25356	2.9
71.01253	24.8
71.04877	2.3
73.02830	1.2
80.02541	2.6
81.03319	3.0
82.30325	0.7
83.01243	3.7
83.04906	6.1
84.02036	2.1
93.03322	2.1
95.04908	3.7
97.02809	0.9
97.06449	5.0
98.03691	0.8
99.04396	0.9
107.04934	1.2
111.08029	3.1
112.01511	1.7
121.02851	13.2
123.08044	1.8
125.02284	0.9
125.09615	10.9
126.09886	0.8
134.03615	1.2
135.04463	0.8
135.08052	1.8
137.09598	1.4
144.00517	0.7
145.10155	4.0
147.11739	4.1
151.11183	30.6
151.81082	0.7
152.11501	3.0
153.09212	0.9
153.12762	4.6
161.09700	0.9
163.11211	9.9
165.12758	21.2
166.13115	1.8
173.09622	2.2
179.03490	1.0
179.10689	4.8
181.12253	45.8
182.12627	3.4
191.10693	20.5
192.11023	1.1
203.02364	0.7
209.04443	3.4
209.11761	100.0
210.12082	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	209.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	3.2
57.03325	2.2
59.01240	0.5
69.03325	1.3
71.01259	0.6
71.04905	0.7
80.02550	1.1
81.03323	3.7
83.01256	30.1
83.04893	3.6
84.01598	0.4
84.02038	1.4
87.48067	0.3
93.03343	0.5
95.04899	1.3
97.02797	0.4
97.06461	5.3
99.00695	0.5
101.69733	0.3
106.04132	0.6
107.04856	0.3
108.01994	0.4
109.06461	0.7
110.03621	0.4
111.08021	0.4
121.02846	7.4
123.08034	2.5
125.06004	0.5
125.09608	24.8
126.09949	1.3
135.04449	0.6
135.08063	2.2
137.06042	0.4
145.10110	0.3
147.11717	1.2
149.09616	0.5
153.12865	0.4
161.09517	0.5
163.11200	11.1
164.11522	0.7
165.12753	3.9
167.10664	0.4
179.03357	0.6
181.12227	1.8
191.10699	7.2
192.11055	0.5
194.05809	0.7
209.04503	1.4
209.11765	100.0
210.12088	8.4
210.13985	0.6
229.21803	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33127	0.8
57.03322	7.0
58.00449	1.3
59.01254	2.1
69.03312	3.0
70.01125	1.7
70.01538	2.4
71.01249	20.7
71.04872	1.4
73.02812	2.5
80.02540	1.9
81.03327	2.0
83.01254	2.5
83.04896	5.0
84.02023	1.3
95.04917	4.3
97.02791	1.1
97.06486	5.7
107.04890	1.0
109.06477	1.1
111.08063	3.9
112.01568	1.5
121.02840	20.4
122.03181	1.2
123.08018	1.4
124.03960	0.9
124.08359	0.8
125.02337	1.1
125.09607	8.2
133.10152	1.0
134.03644	0.8
135.04388	1.5
135.08029	0.9
137.05960	1.4
137.09599	0.9
145.10126	2.3
147.08064	0.9
147.11690	2.4
149.09604	1.2
151.11183	28.3
152.11528	1.5
153.09088	1.1
153.12712	2.3
161.09634	1.3
163.11182	9.9
165.11369	1.5
165.12755	26.1
166.13123	1.6
167.10663	2.5
173.09601	2.2
179.03383	1.1
179.10741	7.0
181.12256	36.2
182.12595	3.1
188.14626	0.8
191.10699	15.7
192.11102	1.7
194.05753	1.0
200.11179	0.8
209.04640	4.2
209.11766	100.0
210.12035	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	209.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12447	1.0
57.03317	6.7
59.01249	13.1
64.14327	1.1
69.03330	26.2
69.86926	7.1
70.81728	1.4
71.04876	3.7
83.04901	4.2
83.70561	1.3
92.19304	1.4
92.97054	1.1
93.03339	2.5
95.04905	2.8
97.06445	1.5
108.05689	2.0
109.06465	2.6
111.08053	5.1
121.02851	7.7
121.10120	2.5
127.07574	1.9
135.08049	2.6
147.11710	2.9
153.09128	8.1
156.48418	1.2
163.11200	5.0
165.09088	4.5
165.12752	25.6
166.12981	1.3
173.09654	2.0
177.58881	1.1
181.12273	23.7
182.12573	2.0
188.36769	1.2
191.10713	32.2
192.11099	2.0
209.11774	100.0
210.12073	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	209.1178
Annotation	(-)-Jasmonic acid
Peak:m/z	Relative Intensity
57.04475	0.5
59.01236	2.0
60.44775	0.7
61.98695	1.7
62.54438	0.5
71.37708	1.1
72.99194	0.5
74.87565	0.6
81.03333	0.8
83.01268	1.4
83.04888	2.5
83.77415	0.5
93.03381	0.8
97.06458	1.2
111.00764	0.9
118.09405	0.5
121.02851	34.6
122.03203	1.7
123.00804	0.5
123.04362	1.1
124.03937	1.8
125.09623	0.7
135.04425	1.6
137.05969	2.2
138.91136	0.6
139.00275	2.3
149.02396	0.6
151.03928	0.8
158.48497	0.5
163.11182	1.6
165.05507	1.3
165.12737	2.0
167.03297	0.7
167.10670	1.7
179.03406	2.1
181.12280	0.8
191.10831	0.9
194.05838	1.0
209.04486	5.4
209.11786	100.0
209.94777	0.8
210.12123	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	206.0816
Annotation	N-Acetyl-D-phenylalanine
Peak:m/z	Relative Intensity
50.43584	0.5
58.02849	36.0
59.01263	0.8
70.02848	14.1
71.38328	1.1
72.00774	5.9
75.00755	0.9
91.05405	8.8
99.00806	0.6
105.03354	0.6
109.03902	0.8
121.02839	0.9
135.04398	2.4
147.04413	38.9
148.04779	2.0
162.09125	1.1
163.03845	0.7
163.07413	0.6
164.07079	100.0
165.07410	4.0
177.01843	2.6
192.04208	2.8
206.08162	32.4
207.02971	0.6
207.06607	1.6
207.08559	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	207.0504
Annotation	Methylglucopyranosiduronic acid
Peak:m/z	Relative Intensity
55.24654	3.1
57.03322	8.0
59.01255	24.6
67.01769	4.1
69.03316	4.2
69.55867	20.0
71.01246	37.9
72.99182	61.8
73.02448	5.5
73.02820	67.3
75.00733	5.0
75.05300	3.3
83.01252	40.2
85.02816	61.5
87.00747	13.9
95.01260	14.5
97.02843	3.8
99.00761	18.6
100.01539	5.9
101.02322	36.5
103.00243	4.9
111.19167	3.1
113.02328	100.0
115.00238	7.4
115.03860	3.7
117.01835	3.8
121.02834	3.9
127.00276	32.3
128.87912	3.1
129.01862	16.7
131.03378	18.4
131.44096	3.1
133.01265	4.5
157.01279	10.7
171.02936	3.8
175.02359	4.2
177.01900	17.0
189.00351	15.3
189.04005	4.7
192.04153	13.0
207.01344	7.2
207.03061	4.3
207.05011	57.2
207.06757	4.8
208.05284	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	207.1021
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
53.11659	0.6
57.03324	0.8
59.01250	32.1
59.72824	0.6
61.98700	2.6
65.00184	0.7
69.03328	0.7
70.99102	1.4
70.99435	0.8
71.01237	1.3
75.00743	0.9
76.14127	0.6
80.02547	5.1
81.02885	1.3
81.03337	11.5
83.04887	7.6
85.02833	2.0
88.45235	0.6
91.01791	1.0
93.03329	3.6
94.53111	0.7
95.04916	2.9
97.02829	6.8
106.04121	1.4
107.04903	3.5
109.02872	1.2
109.06476	100.0
110.03590	1.6
110.06819	5.2
119.01279	0.8
119.04945	1.5
119.61476	0.7
121.02837	1.2
121.06474	6.1
123.04431	1.6
130.29105	0.7
133.06493	2.0
135.04456	1.3
135.08054	12.5
136.05199	2.3
136.08398	0.9
137.05959	0.8
142.02608	2.7
145.10144	1.2
147.04485	0.7
149.02333	4.4
161.09647	4.8
161.88426	0.7
163.00293	1.7
163.03918	1.7
163.07533	1.6
163.11195	36.7
164.11565	2.1
164.89502	0.8
165.09146	1.6
177.01852	22.5
178.02222	1.0
179.03424	1.6
179.10675	1.0
189.09172	2.6
191.10884	0.8
192.00543	2.7
192.04222	17.6
193.04520	1.1
206.99341	1.1
207.02945	3.5
207.06825	7.4
207.10205	47.5
207.13477	1.2
208.10658	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	209.1178
Annotation	(R)-(+)-Patulolide B
Peak:m/z	Relative Intensity
52.34066	0.5
55.01756	0.9
57.03325	4.2
59.01240	2.2
61.98704	1.0
69.03322	1.2
69.77955	3.4
71.01263	0.6
71.04887	0.6
80.02541	0.9
81.03339	2.5
83.01260	14.5
83.04897	9.4
89.97874	0.7
93.03312	1.3
95.02850	0.7
95.04903	1.8
97.06459	5.1
98.20672	0.7
107.04887	0.7
109.06462	1.0
111.00757	0.7
111.08138	0.6
121.02848	20.9
122.03153	1.2
123.08025	3.4
124.03956	1.0
125.09613	23.6
135.04407	0.9
135.08063	1.5
137.05989	1.1
139.00227	1.2
145.74878	0.7
147.11746	1.3
149.09563	1.2
163.11198	6.5
165.12766	6.0
166.13075	0.9
167.10678	24.5
167.22633	0.5
168.11026	1.4
179.03505	1.4
181.12271	3.0
191.10727	5.7
194.05713	1.3
202.98218	0.6
209.04575	4.4
209.11777	100.0
210.12086	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	209.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30198	1.2
54.49248	1.2
57.03319	3.8
59.01254	13.5
69.03325	31.7
69.32471	3.0
69.32875	8.0
71.01279	1.4
71.04887	4.1
83.04896	3.9
84.82891	1.1
93.03329	2.9
95.04902	3.9
97.06425	1.4
98.20444	2.3
108.05669	3.3
109.06446	2.1
111.08066	7.9
121.02823	4.7
121.10110	2.0
126.31239	1.3
127.07549	1.9
135.08037	3.1
139.07504	1.8
147.11749	2.2
153.09126	9.4
163.11180	4.3
164.11568	1.5
165.09106	2.5
165.12761	25.8
173.09525	1.9
181.10619	1.5
181.12262	31.3
182.12595	2.1
191.10707	27.9
192.11073	4.5
209.11768	100.0
210.12135	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	203.1282
Annotation	(3E)-3,7-Dimethyl-3-octene-1,2,6,7-tetrol
Peak:m/z	Relative Intensity
66.21689	0.4
66.39682	0.5
94.03191	0.5
96.20142	0.4
125.09644	0.4
127.11176	12.4
128.11525	0.6
137.09566	0.8
139.11172	0.7
155.10678	8.1
156.10988	0.8
157.12244	48.6
158.12579	2.6
185.11771	1.2
201.11269	1.0
203.12816	100.0
204.13170	7.6
219.69231	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00181	1.2
55.01759	9.3
57.03315	2.8
58.00450	3.5
59.01249	77.7
60.99163	1.5
67.01746	2.2
68.99692	14.6
71.01250	86.3
72.01571	2.0
72.99178	55.9
73.02817	13.7
75.00742	37.7
75.62943	0.9
83.01251	13.7
84.99189	2.5
85.02814	4.0
87.00745	62.1
88.00422	1.1
88.01104	1.5
88.98663	3.0
89.02307	5.6
92.71435	0.9
94.94192	1.0
96.99198	8.1
97.99973	1.8
98.20666	1.9
99.00752	37.0
99.04335	1.0
100.01031	1.1
100.98695	3.0
101.02319	10.0
103.00243	10.2
111.00760	38.4
112.01096	1.6
112.98674	7.6
115.00253	100.0
115.03860	1.2
116.00574	1.4
117.01809	15.5
120.52589	0.9
124.97875	1.4
124.98689	17.0
125.02332	4.6
127.00257	10.6
129.01817	15.2
130.99760	18.9
142.99767	29.8
143.03421	1.5
144.00455	4.3
145.01334	28.9
154.99762	18.7
156.00044	1.2
157.01331	7.0
159.02850	1.5
169.01357	1.9
173.00835	6.9
175.02377	11.7
187.02371	1.2
205.03490	8.0
205.05231	1.6
206.04221	4.8
214.72881	1.1
222.36641	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	4.5
55.60580	1.6
59.01255	62.1
68.99701	11.0
70.98116	4.6
71.01257	82.3
72.99184	50.3
73.02815	11.5
75.00361	3.2
75.00751	39.2
82.61835	1.9
83.01269	10.8
85.02827	2.1
87.00750	49.5
89.02320	5.5
96.99201	8.9
98.94212	1.9
99.00759	32.3
100.98686	2.5
101.02325	8.8
103.00253	8.4
109.07530	1.8
111.00772	13.9
112.98682	7.4
115.00265	100.0
117.01852	15.1
124.98717	15.0
127.00310	12.8
129.01836	15.3
130.99794	14.0
133.02681	1.9
133.06502	4.1
136.06024	1.8
142.99762	23.8
144.00456	4.4
145.01349	25.4
147.03006	2.3
154.99756	19.4
157.01358	4.9
157.62759	2.0
161.02312	2.7
161.05920	5.6
169.01265	2.5
173.00832	4.1
175.02382	8.3
190.02602	3.4
190.06256	12.8
191.18988	1.9
205.01387	3.5
205.03325	3.0
205.05022	6.4
205.08688	6.1
205.12341	4.4
205.15900	14.4
206.04230	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	205.1591
Annotation	(E,E)-4,4,8-Trimethyl-2,8-cycloundecadien-1-one
Peak:m/z	Relative Intensity
55.37606	0.1
58.02845	0.2
59.01240	0.5
60.67659	0.1
61.98687	0.2
71.01254	0.3
72.99155	0.2
87.00750	0.2
95.20050	0.1
99.00787	0.1
107.23415	0.1
115.00250	0.2
117.03351	0.3
130.06252	0.1
133.02826	0.2
133.06520	0.2
145.02849	0.2
147.04448	0.1
149.05951	0.2
149.09587	0.1
161.02364	0.2
161.05989	0.5
162.89214	0.2
164.07051	0.2
177.01770	0.2
183.38855	0.2
183.40419	0.1
187.03868	0.2
189.12735	1.8
190.02542	0.3
190.06308	0.3
190.13078	0.2
205.01369	0.4
205.05072	1.0
205.15907	100.0
206.08276	0.2
206.16245	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	206.0817
Annotation	2-acetamido-4-methylphenyl acetate
Peak:m/z	Relative Intensity
56.98875	0.8
58.02849	42.0
59.01241	2.6
65.74738	0.7
68.01277	0.9
70.02518	1.1
70.02850	13.2
71.05482	0.9
71.05803	1.6
72.00788	6.6
75.00735	5.9
85.02814	0.8
89.02357	1.1
91.05411	6.2
93.03331	1.6
98.41445	0.8
113.69920	0.9
121.02815	1.7
123.04437	1.4
135.04387	3.6
141.67082	0.8
147.04419	41.0
148.04790	2.2
149.02313	4.8
162.09094	0.8
163.03880	1.8
164.07082	100.0
165.07457	4.5
177.01846	29.3
190.05006	1.0
191.10239	1.3
192.00467	1.3
192.04207	24.7
205.14145	0.8
206.08154	31.9
206.12488	6.8
207.03134	1.4
207.04971	2.4
207.06552	7.9
207.08565	2.2
207.10251	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1127
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
55.38417	0.3
57.03326	2.4
58.00473	1.9
58.02848	0.3
58.51873	0.3
59.01242	1.6
64.99239	0.2
65.01311	0.5
65.99729	0.7
69.03310	0.6
70.53759	1.0
71.01238	0.6
72.99194	1.6
73.02823	1.0
82.03979	0.3
86.33793	0.3
87.04379	0.7
88.36608	0.3
91.02893	0.4
97.06464	0.4
106.04002	0.5
117.03358	0.3
118.04009	0.4
121.03964	0.4
123.08029	0.6
125.09607	7.8
127.11181	11.5
128.11511	0.5
130.04027	0.4
132.05539	0.5
133.04024	0.5
133.05075	0.5
134.03453	0.3
137.09598	2.1
139.11166	2.0
141.09106	0.4
146.07092	0.4
147.03040	0.3
147.05609	0.3
148.05069	0.4
153.09119	0.9
155.10686	5.1
157.12244	1.0
160.05122	0.5
165.09120	4.0
166.09410	0.3
171.10161	3.7
173.06032	0.5
174.06638	0.5
175.06184	0.7
181.65936	0.3
183.10173	4.9
184.10497	0.6
199.09715	3.0
201.11253	100.0
202.11613	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	197.1176
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
59.01234	0.8
69.03319	2.2
69.84681	1.9
79.01745	0.3
83.04883	1.4
84.84520	0.3
89.12919	0.3
91.87113	0.3
95.04881	0.4
95.63460	0.3
97.06459	0.6
97.85918	0.4
105.92380	0.3
109.02772	0.5
111.04387	0.3
121.02776	0.4
123.00755	1.8
125.09509	0.3
138.03134	0.5
141.09071	0.6
151.11143	0.6
153.05461	0.3
153.09134	1.8
153.12750	4.9
161.09540	0.4
166.99731	1.0
169.12251	19.9
169.59653	0.3
170.12547	1.2
179.10704	1.7
182.02069	2.4
197.11751	100.0
198.12103	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	197.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	1.0
59.01241	2.1
63.07145	0.5
63.39264	0.6
65.00184	0.5
65.01308	1.0
69.03327	2.3
71.01231	0.8
74.87989	0.5
76.29258	0.4
81.03316	1.6
83.04906	1.3
85.02799	0.6
93.03339	0.7
95.01270	2.1
109.02818	1.8
111.04382	0.6
112.01537	1.6
121.02829	2.3
123.00763	10.5
123.04327	0.6
123.08161	0.6
125.02345	1.4
125.09599	0.9
126.90351	1.2
130.99117	0.8
135.08072	0.6
137.02374	1.1
137.09598	0.6
138.03119	3.6
139.75037	0.5
151.11256	0.5
153.01775	0.8
153.05479	3.0
153.09073	2.3
153.12729	6.1
156.05606	0.7
157.05112	1.0
160.84160	2.1
162.83820	4.1
166.99773	7.4
169.12253	16.8
170.12660	0.7
171.06688	1.5
178.99635	0.7
179.10706	1.4
182.02147	15.9
182.05611	0.6
190.91013	0.7
197.04533	6.4
197.08173	3.5
197.11761	100.0
197.80780	1.8
198.07881	1.3
198.12061	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	199.0969
Annotation	2-Hydroxycampholonic acid
Peak:m/z	Relative Intensity
57.03309	0.3
59.01248	0.3
65.01315	0.4
65.99695	0.3
66.91683	0.2
69.72263	0.4
69.72672	1.3
71.01254	0.4
73.02814	3.0
76.64631	0.2
85.02823	0.5
95.83977	0.2
98.19835	0.3
99.00741	0.4
101.22391	0.3
109.32288	0.3
113.02334	0.4
119.04908	0.4
127.00326	0.2
127.83960	0.2
130.03983	0.3
135.08058	1.4
137.09615	8.0
137.36803	0.3
138.09918	0.4
152.57841	0.2
155.10677	100.0
156.11017	6.6
157.05179	0.5
172.05003	0.4
181.08687	0.3
199.06096	1.1
199.09676	6.0
199.11444	0.5
199.13350	2.1
199.16972	0.5
200.09962	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1333
Annotation	UNII-UOM92D5748
Peak:m/z	Relative Intensity
52.53760	0.4
57.03307	0.8
58.00451	1.0
59.01259	2.9
59.01493	0.5
65.01296	1.0
67.01741	0.5
69.03313	1.1
71.01248	1.0
71.04894	1.0
71.51170	0.6
72.99174	0.5
73.02824	1.9
78.07634	0.4
83.04908	1.5
84.02034	0.5
85.02850	1.1
99.00772	1.3
99.04385	0.5
102.34113	0.4
109.06493	0.6
111.00746	0.8
113.02306	1.1
120.70330	0.4
123.04348	0.5
125.02329	0.5
125.09598	0.8
127.00248	0.5
127.03946	0.7
127.11252	0.5
130.04021	0.5
130.29643	0.4
136.93620	0.4
137.05939	0.7
137.09576	1.2
139.11148	0.5
141.12770	2.3
145.04004	0.7
155.10678	4.5
156.89421	0.8
157.05104	0.7
163.11218	1.0
169.12256	9.3
170.12566	0.7
171.10172	2.0
171.13808	0.8
172.05020	0.8
181.08688	0.6
181.12257	20.3
182.12593	1.3
197.11787	1.6
199.04021	0.8
199.06079	2.0
199.09691	6.4
199.13332	100.0
200.13683	7.2
215.81033	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0448
Annotation	(3E)-3-[(1R,5R,6S)-5-Hydroxy-7-oxabicyclo[4.1.0]heptan-2-ylidene]-2-oxopropanoate
Peak:m/z	Relative Intensity
50.15206	7.2
51.30289	7.9
59.01237	12.7
67.01748	9.1
69.03325	67.6
71.01247	61.7
71.02850	20.0
72.99179	13.8
75.00745	10.0
79.05368	8.0
80.02540	8.1
81.03332	32.6
83.01238	19.0
83.04884	37.2
85.02812	54.9
93.03328	33.4
95.01238	21.4
95.04903	41.1
97.02827	29.3
97.06474	89.2
99.00741	23.6
105.03335	13.6
107.04920	100.0
107.48637	7.1
108.02052	18.3
109.02850	53.4
110.03640	12.0
111.00767	19.9
111.04398	46.9
113.02310	32.1
121.02847	72.4
123.00768	71.7
123.04409	98.8
125.02367	42.5
125.05973	73.6
127.03936	12.6
133.02840	10.5
135.04404	66.4
136.01538	30.2
137.02316	30.1
138.03099	9.7
139.03894	49.3
146.22795	7.3
149.02319	13.8
150.03128	10.0
151.03922	99.4
153.01834	25.7
153.05493	26.7
161.02344	14.5
166.99724	29.6
167.03398	69.7
179.03430	59.4
182.02170	41.5
197.04462	85.1
197.11694	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	197.1177
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
56.44765	0.3
57.03326	0.4
59.01245	1.3
61.98706	0.6
65.01317	0.6
69.03324	1.5
71.04900	1.1
71.50864	0.3
81.03345	0.4
83.04911	0.5
87.58852	0.3
87.62589	0.3
93.03330	0.9
95.01257	1.7
95.04895	0.5
97.06464	13.5
98.06805	0.6
99.00770	0.4
99.08038	3.8
109.02857	1.0
109.06466	0.8
111.00732	0.5
111.04391	0.5
111.08014	0.4
116.92749	0.6
117.82101	0.3
121.02864	1.5
122.03639	2.3
123.00766	6.5
123.04423	0.9
123.08000	0.4
125.02331	1.2
125.05952	0.5
125.09629	0.8
126.03117	1.1
126.05453	0.3
126.90405	0.9
135.08022	0.6
137.02345	0.9
137.09612	1.8
138.03148	1.7
139.03908	0.4
151.03896	0.4
151.11197	1.1
153.05508	1.9
153.12755	100.0
154.13100	6.3
156.05515	0.4
160.84143	1.9
162.83800	4.3
166.99767	5.6
169.12247	1.7
170.03549	0.3
171.06668	0.9
179.03514	0.6
179.10696	19.4
180.11075	1.7
182.02133	10.4
182.05716	0.6
183.02477	0.9
193.39412	0.4
196.89507	0.4
197.01994	0.6
197.04524	3.6
197.06067	0.5
197.08168	1.8
197.11760	19.1
197.15459	0.6
197.80687	2.7
198.03966	0.6
198.07703	0.5
198.12126	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	197.1175
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
55.68666	0.3
59.01237	0.7
69.03336	2.2
78.91405	0.3
83.04903	1.3
95.01269	0.4
121.02864	0.4
123.00759	0.9
125.09609	0.4
126.83150	0.3
132.12047	0.3
132.14995	0.3
137.09641	0.3
141.09103	0.8
151.11227	0.8
153.09186	1.7
153.12769	4.7
153.13922	0.5
154.13095	0.4
159.08058	0.3
160.84111	0.7
162.83829	1.8
166.99738	0.9
169.12265	20.0
170.12608	1.3
179.10641	1.6
182.02113	2.0
197.11766	100.0
197.80695	1.2
198.12119	7.4
199.88281	0.3
204.15546	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83532	0.1
55.47511	0.1
59.01256	1.2
61.98701	0.4
64.17988	0.1
66.44951	0.1
67.01740	0.2
69.03325	2.3
69.77472	0.9
71.01243	0.2
81.03316	0.4
82.02815	0.2
83.04893	1.2
95.01252	0.8
96.95839	0.2
97.02814	0.3
97.06468	0.5
98.20538	0.3
99.08019	0.2
107.04895	0.2
109.02834	0.5
111.08080	0.2
116.92746	0.4
117.06996	0.1
121.02827	0.6
123.00774	2.5
123.04385	0.3
123.08043	0.7
124.08384	0.1
125.02335	0.5
125.06041	0.1
125.09588	0.4
126.90369	0.3
130.83131	0.2
135.04460	0.2
135.08038	0.5
135.11723	0.2
137.02351	0.4
137.09589	0.4
138.03136	0.7
141.09097	1.2
142.02686	0.2
151.11153	1.0
153.05527	0.8
153.09129	2.2
153.12749	4.7
154.09540	0.2
154.13091	0.3
160.84120	1.1
162.83815	3.4
166.99765	2.0
167.10666	0.2
169.12250	17.7
170.12613	1.3
178.99770	0.2
179.03479	0.2
179.07042	0.5
179.10680	2.0
182.02121	3.7
183.02495	0.2
197.04617	1.3
197.11758	100.0
197.80713	1.5
198.12093	7.6
207.87350	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0552
Annotation	2D-5-O-Methyl-2,3,5/4,6-pentahydroxycyclohexanone
Peak:m/z	Relative Intensity
57.03322	1.9
59.01249	4.1
62.57423	0.2
65.03859	0.2
67.01756	1.6
69.03312	1.0
70.51577	0.7
71.01260	2.8
72.99178	4.0
73.02822	5.1
81.03327	1.2
83.01242	0.6
83.04896	1.1
85.02821	40.0
86.03140	1.0
87.00748	14.5
88.01106	0.2
92.67101	0.2
93.03330	8.4
95.01243	0.3
96.02055	0.3
99.00748	1.2
99.04391	1.0
101.02312	1.2
103.03844	0.3
108.02035	0.3
109.02847	2.1
111.00763	36.8
111.04388	2.4
112.01073	1.3
113.02328	0.5
117.01822	4.7
117.29413	0.2
118.38186	0.2
125.45811	0.2
127.03905	6.3
129.01813	3.5
130.99828	0.3
137.02351	0.4
143.03407	0.3
147.02975	0.2
153.75526	0.2
154.99767	3.1
155.03410	0.3
168.09097	0.2
171.02905	1.5
173.00821	4.4
173.04472	2.5
191.01904	4.2
191.05534	100.0
192.02162	0.2
192.05884	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	195.0655
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42715	2.1
59.01252	3.4
65.00172	3.2
65.03823	2.7
67.01757	5.8
68.99687	72.8
69.03320	9.2
69.62080	12.1
69.62502	5.7
73.02797	3.0
75.00764	5.3
79.01758	3.4
81.03297	2.1
91.05395	6.5
93.02824	3.8
93.03336	28.3
95.01262	6.0
95.04878	10.9
97.02828	37.2
99.00745	11.9
101.02319	100.0
107.04914	21.2
112.59505	2.4
119.04908	24.0
121.02846	22.7
122.03632	2.7
123.04403	6.5
125.02319	6.3
125.05976	3.7
127.03856	3.9
135.04411	97.8
136.04700	5.5
150.03120	7.4
151.03874	9.8
151.07516	10.3
153.05475	33.3
163.03920	55.4
166.45175	2.3
167.03430	5.7
180.04214	5.8
195.02896	5.7
195.06549	43.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1382
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
55.01757	0.2
57.03307	0.3
59.01239	0.3
61.98700	1.1
68.99702	0.4
69.03332	0.2
71.15285	0.4
77.96919	0.2
78.01729	0.2
83.01739	0.2
91.01768	0.2
93.03328	0.3
95.01255	0.2
95.04848	0.3
97.02824	0.3
107.04887	0.3
108.02025	0.4
109.02822	0.4
109.06472	3.9
111.08035	3.3
112.08390	0.2
114.30548	0.2
121.02838	0.6
122.03604	0.8
123.00782	0.6
123.04395	0.8
124.01537	0.2
125.02333	0.2
125.09601	1.0
135.00658	0.2
135.04401	0.5
135.11691	0.5
136.01559	0.3
136.05185	0.3
137.02318	1.1
138.06749	0.4
139.03903	0.2
139.07533	0.4
150.03133	2.3
151.03889	0.6
151.07529	0.6
151.11192	0.8
151.15715	0.2
153.05498	0.3
155.07063	0.3
160.84126	5.7
162.03032	0.2
165.01857	1.7
165.05461	1.4
165.12801	0.3
167.03552	0.2
167.14323	6.4
168.14677	0.5
174.03651	0.2
179.10686	5.6
180.04211	2.6
180.11205	0.5
183.13861	0.3
194.99417	0.2
195.02910	0.5
195.06644	2.1
195.13826	100.0
195.81009	2.3
196.14177	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	191.019
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46022	0.3
55.01767	0.4
57.03321	4.0
59.01247	4.7
59.76314	0.3
67.01752	4.0
69.03316	0.9
69.73611	1.7
71.01244	2.2
72.99179	9.0
73.02816	12.9
81.03316	1.6
83.01249	1.5
83.04904	0.8
85.02820	51.7
85.57176	0.3
86.03156	1.1
87.00746	23.3
87.16040	0.3
88.01083	0.5
93.03332	9.8
95.01266	0.4
96.01999	0.4
98.19734	0.3
99.00763	2.1
99.04384	1.1
101.02328	1.5
108.02086	0.5
109.02814	3.0
111.00761	62.3
111.04391	2.1
112.01087	2.3
117.01817	7.2
125.02370	0.4
127.03896	5.4
129.01826	5.1
130.99783	0.4
137.02325	0.6
139.43330	0.4
153.01816	0.3
154.99757	5.6
155.03224	0.3
162.51924	0.3
171.02885	1.2
173.00841	7.8
173.04434	2.1
191.01947	7.9
191.05531	100.0
192.02296	0.4
192.05862	4.6
205.86258	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0343
Annotation	Pisonin F
Peak:m/z	Relative Intensity
50.54549	0.2
57.03325	1.5
59.01247	1.5
62.01040	0.2
65.86120	0.2
67.01752	1.2
68.99682	0.3
69.03298	0.3
69.52331	0.5
69.52744	1.2
71.01236	1.0
72.76161	0.2
72.99168	1.1
73.02817	1.7
73.43669	0.2
81.03353	0.4
83.01249	0.2
83.04912	0.5
85.02824	14.1
86.03135	0.2
87.00756	9.1
93.03337	3.5
97.97942	0.2
98.19803	0.4
99.00780	0.2
99.04408	0.5
109.02829	0.8
111.00768	15.8
111.04391	0.8
112.01087	0.5
117.01823	0.8
119.04928	2.1
121.02846	100.0
122.03174	4.4
127.03912	1.8
129.01868	0.7
147.00914	0.3
147.04427	6.2
148.04843	0.4
149.02422	0.2
154.99738	0.5
163.03934	0.8
164.04556	0.2
171.02893	0.6
173.00850	0.8
173.04491	0.8
176.01083	1.4
191.01888	1.3
191.03493	7.8
191.05550	33.6
192.03955	0.5
192.05914	1.3
199.60794	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0554
Annotation	Quinic acid
Peak:m/z	Relative Intensity
52.40822	0.2
56.66511	0.3
57.03323	1.1
58.00488	0.3
59.01241	3.1
60.99158	0.2
67.01753	1.1
69.03325	0.7
69.22787	1.5
69.23206	0.9
71.01260	2.5
72.99180	0.9
73.02816	1.9
81.03334	1.0
83.00631	0.2
83.04916	1.3
85.02822	28.1
86.03174	0.8
87.00751	7.9
93.03335	7.6
94.89221	0.2
95.39568	0.2
99.00748	0.4
99.04411	1.2
106.30621	0.2
109.02832	1.8
111.00760	9.5
111.04382	2.1
112.01105	0.4
113.02296	0.3
117.01795	0.8
117.31514	0.2
119.04873	0.3
121.02785	0.3
125.02384	0.2
127.03905	5.3
129.01842	0.8
137.02306	0.4
147.04388	0.4
148.05119	0.3
154.99792	0.6
155.03406	0.5
163.03899	0.3
171.02884	1.0
173.00781	0.9
173.04445	2.2
176.01076	0.9
177.01616	0.3
178.19612	0.3
184.76704	0.3
191.05534	100.0
192.05870	4.2
207.34915	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1176
Annotation	10-hydroxy-2E-decenoic acid
Peak:m/z	Relative Intensity
50.06052	0.7
50.23138	0.7
57.77679	0.7
58.73619	0.9
59.01270	0.9
65.01309	2.7
65.99698	1.0
68.61853	0.7
69.03335	3.6
71.01225	1.0
75.13454	0.8
90.97666	0.7
92.99697	0.8
94.49446	0.8
97.06475	0.8
106.04099	0.8
116.02458	0.8
121.05081	2.2
123.08021	1.4
125.02324	5.1
127.11250	0.9
139.11182	7.7
141.09119	3.4
141.12671	1.1
144.05600	1.8
153.01788	0.9
155.10684	0.9
157.05089	1.2
158.03510	2.6
158.07115	1.0
167.10742	0.8
178.30975	0.8
185.04541	4.9
185.08235	3.1
185.11760	100.0
186.07779	1.4
186.12111	7.2
189.45174	0.8
189.47119	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0969
Annotation	Nonanedioic acid
Peak:m/z	Relative Intensity
54.54336	0.3
54.67577	0.3
57.03326	3.7
58.42153	0.2
59.01253	3.3
65.01326	0.8
65.99715	0.5
66.00884	0.3
67.01775	0.3
69.03318	0.8
69.35329	2.6
71.04887	0.6
80.02541	0.4
83.04900	0.7
88.45929	0.2
91.02912	0.5
95.01255	0.8
95.04893	0.8
97.06472	10.7
98.06805	0.5
99.08042	1.0
118.03984	0.6
120.01982	0.3
123.08055	5.4
125.09618	100.0
126.09949	5.6
127.07535	0.6
132.05591	0.4
133.03970	1.0
134.03555	0.3
134.29997	0.3
142.04021	0.3
143.10667	2.3
144.04364	0.3
145.05070	0.6
145.08612	3.4
146.03474	0.4
147.04367	0.3
149.64711	0.2
155.03433	0.8
157.05077	0.5
159.04443	0.6
160.05042	2.3
161.04625	0.4
169.08640	2.6
171.08122	0.6
187.06299	2.1
187.09700	43.2
187.11163	2.5
188.10001	2.1
188.11450	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1332
Annotation	[1S-(1a,2a,3b,4b)]-1-methyl-4-(1-methylethyl)-1,2,3-Cyclohexanetriol
Peak:m/z	Relative Intensity
57.03322	0.6
59.01245	0.6
65.01319	1.2
65.99709	0.6
66.00854	0.4
69.03307	0.4
71.01242	0.5
71.04867	0.3
71.06423	0.6
72.99155	0.3
75.82578	0.2
82.02848	0.2
91.02884	0.6
92.02414	0.3
96.99153	0.2
97.06444	0.8
100.40923	0.2
105.04428	0.4
106.04025	0.4
111.87569	0.3
116.02453	0.3
118.04012	0.9
119.02409	0.5
121.05080	0.4
122.03498	0.5
123.08064	0.8
125.02320	0.5
125.05910	0.3
125.09614	6.5
125.46943	0.3
126.09940	0.3
130.04050	0.7
132.05533	0.7
133.03983	1.1
134.03499	0.5
141.12740	4.4
142.03937	0.4
144.04318	0.6
145.05107	0.6
146.03465	0.5
147.04272	0.6
157.05119	0.3
159.04381	0.4
160.03886	0.3
160.05084	2.9
161.04582	0.5
169.08612	0.4
169.12263	0.9
185.11742	1.1
187.03920	1.0
187.06210	2.1
187.09888	3.9
187.13319	100.0
188.03273	0.3
188.05797	0.3
188.13660	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	183.1382
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
51.33523	0.4
57.03322	0.7
57.33025	0.4
59.01240	1.4
61.02045	0.4
67.01752	0.7
69.03318	1.1
71.01240	0.8
83.01244	0.6
83.04903	1.0
91.94170	0.4
93.01246	0.4
93.03320	0.5
94.02885	1.0
95.01241	0.9
95.04907	0.5
97.02851	1.0
97.06470	0.6
98.02332	0.4
98.19771	1.1
109.02793	0.7
111.00751	1.4
111.04427	0.9
111.08040	0.6
112.03938	0.7
115.02918	0.5
121.06471	1.5
122.02393	0.5
123.04411	1.0
124.01525	1.3
124.03907	0.9
124.98656	0.8
137.02345	0.9
139.00275	0.9
139.03923	0.5
139.07544	1.7
139.11165	1.9
140.07062	0.6
152.98180	1.2
155.10641	0.6
156.05531	0.6
157.05090	0.8
165.01855	0.8
168.00595	3.0
171.99937	0.4
183.00436	0.6
183.02905	1.5
183.06648	3.0
183.10358	6.6
183.13828	100.0
184.06117	0.7
184.14201	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	185.1175
Annotation	10-hydroxy-2E-decenoic acid
Peak:m/z	Relative Intensity
55.33052	1.4
57.03316	1.9
57.31971	1.3
65.01315	4.4
65.99708	2.8
69.03336	3.0
71.30484	1.7
71.30853	2.8
72.94645	1.2
81.48495	1.4
83.04879	2.1
86.81315	1.3
88.53428	1.1
90.00865	1.6
91.02843	2.1
92.99699	3.7
116.02428	1.7
121.05091	3.7
125.02345	12.7
125.09668	1.5
131.02469	1.3
132.05617	1.4
139.11180	38.3
141.09079	4.1
141.12732	1.6
142.04062	1.6
143.02472	1.3
145.02789	1.4
155.10704	1.7
157.05061	2.2
158.03508	4.8
159.06781	1.4
185.04544	12.0
185.08180	5.1
185.11754	100.0
186.12103	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	183.1019
Annotation	10-Oxo-8E-decenoic acid
Peak:m/z	Relative Intensity
55.61803	0.6
55.85657	0.6
57.03326	1.0
59.01264	3.3
62.42102	0.5
65.01319	2.2
67.01743	0.7
69.03341	3.9
69.38695	5.4
70.29583	0.6
71.01263	1.3
71.04877	0.7
81.03333	1.4
83.04900	2.2
85.06477	1.0
89.01339	1.1
91.02901	0.7
93.03278	0.8
94.02876	0.7
95.01254	1.0
95.04932	1.2
97.02824	1.4
97.06494	0.7
109.02847	1.0
109.06493	3.4
111.00798	0.9
111.04396	1.1
111.08041	1.9
112.03880	1.1
115.02865	1.1
121.06506	1.2
123.00778	1.0
123.04401	1.2
124.01559	1.3
124.03925	0.7
124.98765	0.8
127.07555	1.3
130.04037	1.6
137.02332	0.8
137.09627	2.2
139.03960	1.1
139.07587	3.2
139.11191	15.4
142.04054	1.3
143.04756	1.3
152.98181	2.0
153.00658	0.9
155.03542	1.0
155.10699	22.5
156.05598	4.7
156.11102	1.2
157.05081	4.5
164.98308	0.7
165.01865	0.9
165.09135	2.7
168.00563	2.8
183.00536	3.1
183.02946	2.5
183.06769	6.2
183.10196	100.0
183.13701	2.2
184.06152	2.1
184.10568	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	183.1018
Annotation	10-Oxo-8E-decenoic acid
Peak:m/z	Relative Intensity
57.03302	0.4
59.01254	2.7
59.89281	0.3
67.01737	0.5
69.03326	3.3
71.01244	0.8
81.03333	0.5
83.04900	1.6
85.06451	0.6
109.06480	2.5
111.04430	0.6
111.08028	1.6
116.02492	0.4
121.06461	0.6
121.54026	0.4
127.07526	1.5
128.11116	0.4
137.09625	2.4
139.07571	3.2
139.11180	17.2
140.11520	1.1
141.56633	0.4
143.04688	0.4
152.81090	0.4
152.98239	0.5
155.10680	21.1
156.05600	0.7
156.10965	1.2
157.05119	1.1
165.09119	2.9
168.00542	0.9
183.10185	100.0
184.06165	0.9
184.10535	6.9
200.66835	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	2.6
55.31424	1.0
56.19032	0.9
56.24196	1.1
56.40325	1.0
57.03322	1.4
61.65846	1.0
61.66151	0.9
63.73559	1.0
65.03840	2.8
67.01759	3.4
68.99693	1.9
69.03333	20.4
69.78342	1.6
69.78741	6.2
70.24249	1.1
71.01262	6.0
72.22788	0.9
79.01764	1.1
79.05410	1.9
80.02566	1.4
81.03344	8.5
83.01259	3.6
83.04913	2.4
85.02811	1.6
91.05421	2.9
93.03341	26.1
94.03680	1.4
95.01285	3.3
95.04910	5.6
95.05439	1.0
97.02847	11.4
97.06490	9.3
98.20582	0.9
104.98647	0.9
105.03352	3.1
107.04916	38.5
108.02051	6.5
108.05236	1.7
109.02850	22.3
109.06489	4.2
111.00768	3.2
111.04399	3.5
117.03386	1.5
119.04926	11.0
121.02840	8.6
123.00797	1.8
123.04420	7.8
124.01521	3.8
125.02347	4.4
125.05987	37.7
126.06293	2.0
127.62900	1.1
133.02856	2.3
134.03638	4.7
135.04427	90.2
136.01546	2.4
136.04730	4.4
137.02351	100.0
137.05963	4.1
138.03195	13.6
139.03902	1.2
145.02782	1.6
148.01546	3.2
149.02341	1.3
151.00282	1.3
151.03923	5.8
152.04684	1.9
153.05498	21.6
154.05888	2.1
163.03938	30.9
164.04291	1.7
166.02614	1.6
181.04996	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	181.0499
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	9.0
65.03825	4.1
66.92561	1.0
67.01765	4.5
68.99690	6.6
69.03336	4.3
69.20885	3.9
69.21296	6.9
69.53262	1.0
71.01256	2.9
73.26340	0.9
77.02777	1.1
81.03327	3.0
83.01254	1.6
83.04905	6.2
85.02858	1.2
89.02312	1.5
89.37512	1.0
90.96114	1.0
91.01785	0.9
92.99704	1.1
93.03338	63.0
94.03663	2.4
95.01320	1.4
95.04900	2.1
97.02856	1.5
99.00758	1.6
101.02332	3.8
105.03333	2.3
108.02079	2.5
109.02839	4.5
109.06490	2.2
111.00759	12.6
119.04903	2.7
121.02850	100.0
122.03207	3.4
123.00790	3.1
123.04403	3.6
125.02333	1.6
127.03956	1.2
134.55348	1.1
135.04416	4.4
135.08060	3.9
137.02370	5.4
137.05983	3.4
138.03131	2.0
139.03897	1.4
149.02359	62.2
150.02684	3.5
151.00261	9.9
151.03918	2.4
153.01852	1.6
153.05461	2.4
155.32639	1.1
163.03830	1.4
165.01834	1.5
166.02632	17.2
181.01579	1.6
181.03416	2.0
181.05003	32.8
181.07228	1.8
181.08553	8.4
182.05338	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	178.95
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	0.6
57.03324	0.5
59.01247	4.1
69.03320	0.9
70.82072	0.8
71.01259	4.8
73.02829	2.2
78.95777	4.8
81.53185	0.4
83.01274	1.4
85.02820	3.5
87.00751	17.9
89.02303	1.0
95.01273	0.6
97.02834	1.6
98.95467	0.7
99.00763	5.6
101.02331	2.0
104.27467	0.5
109.02834	0.6
113.02331	1.1
117.01814	2.6
119.93629	0.7
121.02801	0.5
125.02326	2.2
134.95975	10.1
135.96034	0.9
136.93904	100.0
137.93973	7.9
141.01828	1.3
141.40198	0.4
151.03886	0.6
151.92624	10.5
152.92705	0.6
154.94931	0.6
159.02893	0.8
161.04465	9.1
164.01007	0.8
164.04781	0.8
164.98911	0.4
166.53670	0.4
178.94969	33.0
179.03291	0.8
179.05550	9.0
179.07008	1.0
179.95055	3.1
196.95961	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0553
Annotation	myo-Inositol
Peak:m/z	Relative Intensity
51.25956	0.5
55.01748	1.7
55.32166	0.5
57.03315	2.3
59.00958	0.7
59.01247	14.4
64.24242	0.5
67.01744	0.8
68.99693	0.7
69.03323	4.7
71.01254	23.0
72.99193	1.3
73.02817	10.0
73.78170	0.5
75.00755	7.0
77.20440	0.6
79.01784	1.1
81.03326	1.8
83.01255	4.6
85.02821	21.8
87.00748	100.0
88.01095	2.0
89.02316	7.0
95.01257	2.0
97.02821	8.6
98.19821	0.9
99.00751	24.8
99.04357	0.7
100.01090	0.6
101.02322	11.9
105.01821	1.0
107.01284	0.5
111.00718	1.2
113.02338	4.9
117.01820	21.3
125.02330	15.1
125.03251	0.8
129.01823	3.4
141.01831	10.1
143.03419	1.1
147.02872	1.2
159.02892	7.2
161.04462	69.5
162.04752	2.9
177.03969	3.3
179.05527	88.2
180.05865	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	175.024
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37220	2.1
54.38949	1.9
55.01760	5.0
57.03309	5.7
59.01249	22.7
67.01749	2.8
68.99686	11.0
69.03319	8.6
70.19383	1.9
71.01254	37.7
71.49958	2.1
72.01595	2.4
72.99173	44.4
73.02818	27.1
75.00745	13.6
83.01262	13.8
85.02826	40.1
86.03148	2.3
87.00747	100.0
89.02309	2.9
93.03288	3.8
95.01262	8.1
95.04893	2.4
96.99191	4.1
99.00756	31.3
100.67349	2.1
101.02325	8.6
102.51315	2.1
103.00246	4.3
111.00754	16.1
111.04405	5.3
112.01082	2.7
113.01199	5.4
113.02331	37.4
115.00260	26.0
115.03883	4.0
117.01803	5.8
127.00261	21.8
129.01816	10.5
131.03375	5.6
131.04982	2.2
139.00259	7.9
145.01270	2.6
157.01326	14.7
175.02380	26.3
175.03903	6.0
175.06081	21.9
175.07457	5.3
176.01143	2.5
176.03323	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	175.024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	0.6
57.03312	1.8
58.00461	1.0
59.01254	23.1
62.76237	0.5
65.01318	3.9
65.99718	2.4
66.00843	1.1
67.01775	1.3
68.01283	0.7
70.76854	1.3
71.01258	40.6
72.99189	4.3
73.02811	3.4
75.00751	1.3
75.74938	0.6
79.42624	0.6
83.01251	2.3
83.04899	0.8
84.34084	0.7
85.02823	4.2
85.06461	0.8
87.00756	91.1
88.01096	0.9
90.00861	0.6
91.02889	1.1
92.02385	1.3
93.03340	1.4
95.01321	0.6
99.00748	0.9
99.03161	0.6
100.61276	0.5
101.02325	0.9
101.78577	0.5
104.02464	0.6
105.04480	1.4
106.03999	1.8
107.02407	0.9
108.02057	0.6
111.04433	0.7
112.98706	2.5
113.02325	1.1
113.05963	0.7
115.00263	100.0
115.03892	2.3
116.00607	2.2
118.03961	1.1
119.02403	0.7
120.01948	0.5
121.03996	1.1
125.19604	0.5
127.00223	1.4
130.04030	0.6
131.04933	1.6
132.05638	1.1
133.04022	1.0
133.05124	1.4
134.03467	3.0
135.04385	3.0
145.05087	1.6
147.04433	2.0
147.06726	0.8
148.01418	1.1
148.05101	3.7
149.03514	1.6
157.05087	0.7
160.01630	0.6
174.88892	1.0
175.02437	26.3
175.03926	3.1
175.06110	4.9
175.07512	1.2
176.03299	1.1
176.04694	1.0
176.07072	0.7
179.03424	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	168.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02849	100.0
59.02562	0.4
59.02924	0.3
59.03197	1.3
69.03313	0.5
70.02866	0.7
70.26891	0.6
75.41698	0.3
78.28730	0.3
80.50989	0.3
97.02834	0.9
109.02412	0.5
111.72741	0.4
114.39701	0.3
124.01571	0.4
124.04789	0.4
125.02328	4.9
125.03139	0.4
125.05977	0.5
125.09616	0.4
146.20110	0.3
152.01118	0.4
153.01437	1.2
168.03636	0.4
168.13824	7.8
169.01367	2.4
169.05046	0.9
169.12309	0.4
169.14221	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00179	1.4
55.01756	16.1
57.03325	32.7
59.01246	1.7
65.00182	7.2
65.07755	1.3
67.01746	3.6
68.99683	24.5
69.03332	6.3
70.02833	1.4
70.88327	2.7
71.01253	19.4
71.04870	1.0
72.99164	1.4
80.96405	1.5
80.99734	1.3
81.03331	3.5
83.01257	11.5
83.04903	1.1
85.02824	42.6
92.58981	1.0
95.01263	3.2
95.04906	2.5
97.02829	8.4
97.06447	1.9
97.99993	3.3
99.00756	52.1
107.04917	2.0
108.56934	1.0
109.99986	18.5
111.00777	12.2
112.03003	1.1
113.02327	70.3
114.02665	2.4
123.00753	1.4
123.08035	15.3
125.02351	8.6
125.05967	4.8
125.09612	4.6
125.99464	16.6
126.98747	5.7
129.01868	1.4
135.08382	1.3
137.99498	9.2
139.00298	11.5
141.01866	3.8
147.31709	1.1
150.96957	2.9
151.00204	1.3
151.03862	1.4
151.05029	1.7
153.98958	4.1
157.01329	1.9
157.98438	3.4
168.98126	2.8
169.01329	100.0
169.04973	5.1
169.08617	21.9
170.01686	6.7
170.04527	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	169.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	2.8
59.01242	11.0
65.00174	2.5
67.01752	2.3
68.99683	3.2
69.03322	18.5
71.01240	5.3
71.04879	5.1
71.50443	1.4
72.19890	1.0
74.21651	1.1
80.02534	1.6
81.03330	4.6
83.01273	1.9
83.04884	3.3
85.02814	3.6
95.01289	1.4
95.04900	8.7
97.02819	11.4
97.06482	5.6
98.02362	1.4
99.00732	1.7
99.04405	2.6
100.07619	1.1
107.04888	3.9
109.02842	3.3
110.02328	2.3
110.03550	1.4
111.00716	1.3
111.04382	1.6
112.03947	1.2
115.02967	1.6
122.89348	2.5
123.04414	4.2
123.08055	14.3
125.02334	45.8
125.05973	11.9
125.09607	68.5
125.99466	2.8
126.02676	3.3
126.09965	3.2
127.03894	1.7
127.04944	1.1
133.06503	1.6
134.86382	2.0
135.21927	1.3
138.82452	1.2
139.00273	2.2
139.03932	1.7
140.03432	1.6
141.01819	2.1
141.09109	16.9
142.04008	4.5
145.56392	1.1
151.00264	2.0
151.03906	3.1
151.07549	19.2
152.07861	1.4
153.98990	3.1
169.01335	18.0
169.03880	1.9
169.05081	13.4
169.08612	100.0
169.12254	4.1
170.04546	2.7
170.08966	5.0
170.15355	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	171.1017
Annotation	CHEBI:68949
Peak:m/z	Relative Intensity
51.02585	0.3
51.37992	0.4
55.01748	0.5
57.03325	0.6
59.01241	0.5
61.98706	0.6
65.00216	0.5
68.99678	0.5
70.27267	0.8
71.01253	0.8
83.01270	0.5
83.04897	0.7
89.02328	0.5
95.01297	0.5
99.00754	0.8
99.08028	0.8
99.92458	1.1
102.35413	0.4
108.02003	0.4
109.02824	1.3
109.06482	1.0
125.09599	3.3
127.03886	0.8
127.07550	2.4
127.11174	6.7
129.39577	0.4
130.08585	0.7
144.04482	0.8
153.09097	1.9
155.82530	0.4
171.01862	4.1
171.10179	100.0
171.13802	30.8
172.02431	0.4
172.03920	0.9
172.10547	6.0
172.14102	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	173.0084
Annotation	trans-Aconitate
Peak:m/z	Relative Intensity
53.00187	0.8
55.01754	2.6
55.37402	0.6
57.03317	3.1
57.30376	0.6
59.01255	3.9
60.99174	1.5
66.09531	0.6
67.01761	14.3
68.99688	1.2
69.03322	1.8
70.46561	1.4
70.46900	0.7
71.01258	37.5
72.99187	7.5
73.02821	9.7
75.00751	0.8
80.99715	0.8
81.03349	2.3
83.01259	7.3
83.04892	3.9
84.30206	0.8
85.02829	21.4
87.00748	2.1
91.34219	0.6
91.54131	0.7
93.03339	41.8
94.03675	1.5
96.99204	1.5
99.00760	14.7
99.04410	2.0
101.02331	2.9
102.52091	0.7
111.00769	100.0
111.04399	7.3
111.08036	1.3
112.01106	3.9
112.98717	3.3
115.00260	2.0
117.29014	0.6
124.98695	9.0
129.01813	3.7
129.05498	0.8
135.16333	0.7
137.02371	3.2
142.99783	14.0
145.01364	0.9
154.99786	11.3
155.03423	1.8
173.00859	9.3
173.04456	6.1
174.01401	0.7
178.21236	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0083
Annotation	trans-Aconitate
Peak:m/z	Relative Intensity
55.01760	1.0
57.03311	1.1
59.01237	0.9
67.01758	5.8
70.35983	2.5
70.36366	0.7
71.01247	15.6
72.99173	5.1
73.02821	2.1
81.03304	0.6
81.19105	0.6
83.01257	5.8
83.04903	1.1
85.02820	57.6
86.03149	1.6
93.03329	6.3
99.00742	7.4
101.02315	3.3
111.00762	100.0
111.04375	1.6
112.01125	4.4
112.98740	1.2
124.98693	4.1
129.01833	9.1
142.99770	6.5
154.99773	10.7
173.00848	6.8
173.04506	1.7
184.15660	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	8.5
57.06844	0.7
59.01242	3.3
65.00191	2.8
65.03833	1.8
65.17216	0.8
65.99710	0.9
66.03341	1.4
67.01746	1.3
68.99660	0.9
69.03307	1.0
71.01263	2.2
71.04889	2.0
71.50501	1.1
72.81707	0.7
72.99174	2.4
75.00743	1.4
76.86787	0.9
77.03840	4.8
81.03334	1.7
83.04908	2.1
85.02815	1.9
87.00742	2.4
89.02328	2.2
91.01749	5.7
92.99666	4.1
93.03327	9.6
93.99219	2.1
94.00035	1.0
94.02845	1.4
95.01274	1.8
95.04880	1.7
96.39122	0.9
96.95865	1.2
97.06480	3.0
97.52618	1.0
101.02370	1.6
108.02056	2.4
108.04433	1.5
109.02835	9.4
111.08004	6.4
119.04903	4.1
121.02843	100.0
121.06453	4.8
122.02312	1.4
122.03186	4.7
122.03792	1.5
122.06026	1.6
123.00758	3.0
123.04428	7.9
123.08020	1.3
135.04398	2.0
136.01541	1.2
137.02333	12.0
137.05952	2.0
138.01810	1.0
147.04436	5.7
149.00850	3.6
150.03120	19.4
151.00246	5.1
164.89522	3.3
165.01845	20.6
165.03990	2.6
165.05463	19.3
165.07700	1.3
165.09145	3.2
165.12756	31.5
166.02252	1.2
166.05029	3.4
166.13066	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	165.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	1.3
65.00185	1.0
65.01323	1.5
65.03838	1.4
65.99710	1.2
67.01759	4.8
67.02890	1.3
68.01289	0.9
68.99687	7.5
69.03326	5.1
69.61458	2.9
71.01263	1.9
72.99178	32.8
73.02856	0.6
75.00745	1.0
77.03835	4.4
79.01772	0.9
79.95602	4.9
81.03330	2.0
81.04453	1.5
81.95194	0.6
82.02864	0.7
82.04002	1.5
83.02357	0.5
87.00758	0.9
91.01782	2.5
91.05403	1.0
92.99704	1.7
93.03335	18.2
94.03689	1.3
95.01270	4.5
95.02390	1.7
95.04899	43.3
95.95099	1.6
96.00784	1.0
96.05232	1.6
96.95883	9.7
97.03943	2.3
98.02373	0.9
98.20528	1.1
101.03868	1.6
103.05375	0.6
106.04102	1.6
107.04942	0.8
108.02066	4.9
108.04428	0.7
109.02843	6.7
109.03957	0.5
109.06517	0.6
110.02377	0.6
112.60262	0.5
117.03345	1.3
119.04915	40.4
120.05260	1.8
121.02840	94.6
121.06461	4.3
122.03226	4.5
122.06003	0.9
123.00758	1.1
123.01930	1.1
123.04408	45.4
124.04852	2.8
133.02794	0.8
135.04456	1.4
136.01563	1.0
137.02338	29.5
137.05972	7.5
138.02786	2.4
138.05487	0.7
138.06532	0.7
139.05045	0.7
147.04414	100.0
148.03743	0.6
148.04774	7.2
149.02325	1.7
150.03122	8.7
151.00320	2.7
154.36717	0.6
164.89569	0.6
165.01837	35.1
165.04138	1.4
165.05466	36.9
165.09088	1.4
166.02269	2.0
166.04805	1.1
166.05914	2.4
184.86072	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88992	0.2
59.01228	0.3
59.66913	0.2
60.65416	0.2
60.65744	0.3
65.03822	0.5
67.01738	0.4
68.99682	0.2
69.61745	1.5
71.69307	0.2
79.05383	0.2
87.96275	0.2
91.01763	0.4
91.05399	2.2
93.03333	5.8
94.03627	0.2
101.02299	0.3
105.03340	0.6
106.04102	1.3
107.04905	14.1
108.05233	0.7
117.03338	2.0
119.01250	0.3
119.04912	10.8
120.05270	0.6
121.02841	3.1
121.05092	0.4
123.04388	0.4
133.02856	0.6
134.03622	2.3
135.04408	100.0
136.03796	0.2
136.04749	5.1
145.02856	3.4
148.01566	0.6
149.02342	0.4
151.03920	0.3
161.02333	0.6
163.00288	1.0
163.03911	12.6
171.36296	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0755
Annotation	Isoeugenol
Peak:m/z	Relative Intensity
59.01239	0.5
61.99201	0.2
65.01312	0.9
65.99709	0.5
67.02882	0.2
69.70049	1.1
71.01252	0.4
73.02810	0.2
73.83045	0.2
81.04435	0.3
82.03965	1.6
83.02344	0.3
91.01769	0.5
91.02901	0.3
91.05414	0.3
92.02386	0.2
93.03339	0.8
95.02370	0.2
95.06013	0.3
101.02292	0.3
106.04047	0.4
106.46843	0.2
107.04908	0.3
117.03355	0.2
119.01285	0.4
119.04910	13.5
120.04337	0.5
120.05339	0.9
121.02840	2.1
121.03972	0.7
121.05082	3.8
122.03535	0.5
125.22806	0.2
134.03485	0.2
135.00734	0.4
135.04407	1.8
136.03958	0.3
136.05035	0.8
137.03447	0.4
146.03542	0.5
147.04431	2.7
148.05196	100.0
149.02316	0.5
149.05534	7.0
162.89284	0.7
163.00269	1.5
163.03905	2.7
163.06149	1.2
163.07553	4.1
163.11214	1.0
164.04523	0.6
164.07883	0.3
177.54880	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31491	0.4
57.03316	0.7
57.34942	0.4
59.01252	1.7
65.00205	0.7
65.03828	1.9
67.01760	10.1
67.05421	0.5
68.08336	0.5
68.99690	13.1
69.03330	8.8
70.25060	0.4
71.01253	11.5
71.01620	0.9
72.99197	0.6
75.00731	3.2
77.03834	1.0
79.05403	0.5
80.02542	5.1
81.03338	5.1
83.01249	1.3
85.02842	0.8
87.00757	0.9
91.01768	1.8
91.05419	3.0
93.03333	10.6
93.06977	7.1
93.07523	0.8
94.02920	0.5
94.03664	0.8
95.01264	9.9
95.01836	0.7
95.04901	53.9
96.02090	0.7
96.05224	2.6
97.02829	21.3
98.03136	0.8
98.20589	0.8
98.26511	0.5
105.01819	0.9
105.03323	0.4
106.04119	6.0
107.04918	5.8
108.02055	11.6
109.02856	10.1
109.06478	8.9
111.00760	1.7
119.04058	0.9
119.04916	13.9
120.04430	0.6
120.05252	0.9
121.02841	37.1
121.06475	38.5
122.02406	0.8
122.03685	6.5
122.06744	2.4
123.00781	1.5
123.01886	0.5
123.04414	8.8
124.04760	0.7
135.04419	6.0
135.30234	0.4
136.01558	3.2
136.05116	1.6
137.02385	6.2
137.05980	100.0
138.03142	3.0
138.05388	0.8
138.06316	5.8
147.04416	8.5
149.02332	2.4
150.03116	5.5
151.00290	1.5
153.05426	0.6
165.01842	6.6
165.04303	1.8
165.05481	51.7
166.06064	2.2
171.72751	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70531	0.2
67.01761	7.2
68.02083	0.2
68.99690	1.9
69.49260	1.3
71.01248	0.6
75.51116	0.2
79.01768	1.4
83.01270	0.3
91.27760	0.2
93.03356	0.3
93.85337	0.2
95.01260	100.0
96.01597	4.0
97.02849	0.4
98.19827	0.5
98.35926	0.2
99.00739	0.4
111.04384	0.7
112.01523	0.3
121.33707	0.2
123.00762	1.7
125.02377	0.4
155.03407	34.9
156.03754	1.8
156.73102	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.034
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51822	0.3
54.60427	0.3
55.01745	0.3
58.67947	0.3
64.24078	0.3
67.01756	6.7
68.99682	2.0
69.49226	2.3
71.01257	0.6
79.01765	1.2
89.37434	0.3
95.01259	100.0
96.01593	3.5
99.00779	0.3
111.04375	0.4
112.01536	0.5
114.99122	0.3
116.36306	0.3
123.00747	1.5
125.02368	0.3
141.37773	0.3
155.03400	30.8
156.03757	2.2
156.43318	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0392
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33886	0.5
57.03330	0.5
57.22704	0.4
59.01259	0.6
65.01316	0.5
65.03832	0.9
67.01782	0.6
69.62354	2.8
84.98097	0.4
86.62173	0.4
91.01777	1.2
91.05415	2.0
93.03339	5.7
95.04903	0.6
98.20605	0.5
98.82090	0.4
101.02351	0.5
102.74897	0.4
105.03335	0.9
106.04115	1.3
107.04912	14.9
108.05277	0.6
117.03345	2.0
119.01337	0.7
119.04922	30.7
120.05313	0.9
120.71703	0.5
121.02852	4.2
121.05074	1.2
133.02846	0.7
134.03636	2.6
135.04422	100.0
136.04770	5.1
145.02840	3.8
149.02367	0.8
153.54245	0.4
161.02354	0.6
163.00301	2.2
163.03922	17.0
163.06075	1.1
163.07498	0.6
164.03252	0.5
164.04489	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	1.5
65.03814	2.0
65.99709	1.2
66.03356	1.7
67.01758	2.1
68.99695	1.3
69.03318	10.1
69.19876	5.8
69.20302	4.2
71.01243	2.4
72.99173	1.5
76.00901	0.9
81.03340	10.0
82.02857	4.0
82.03603	1.0
83.01248	2.8
83.04907	7.0
91.01777	1.3
91.05406	3.8
93.03333	8.3
95.01225	3.5
95.02365	1.3
95.04905	7.4
97.02814	4.1
97.06465	14.1
107.01240	1.5
107.04221	1.4
107.04906	19.4
108.02060	10.6
109.02837	100.0
109.06481	8.7
109.99989	13.4
110.02420	2.2
110.03162	6.1
111.00752	2.6
111.01918	1.1
111.04421	4.9
112.03881	1.2
121.02819	3.0
123.00725	1.7
123.04410	11.8
124.01524	3.2
124.03950	2.3
124.98648	1.0
125.02364	8.6
125.05969	25.7
126.06312	1.4
135.04422	55.7
136.03844	1.5
136.04781	3.5
137.99481	13.8
138.02168	1.7
138.03134	15.2
139.00244	2.9
151.00273	1.5
151.11186	4.0
153.01854	30.7
153.02985	1.3
153.05472	33.9
153.06703	2.2
153.12775	5.7
154.02344	1.4
154.05898	1.7
171.13852	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	153.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	4.5
57.03327	2.0
58.02842	1.3
60.39437	1.0
65.03831	2.6
66.03361	2.4
67.01756	11.1
68.82027	1.4
68.99678	4.6
69.03323	66.9
70.03669	2.8
71.01248	7.9
71.37904	1.9
80.04969	1.2
80.87485	1.1
81.03329	12.0
82.02401	1.3
82.02863	3.7
82.89908	1.0
83.01270	4.7
83.04893	9.4
84.02051	1.3
85.02826	4.1
91.05405	2.6
93.03326	5.7
95.01273	6.3
95.04902	11.5
97.02833	12.3
97.06460	25.7
97.07101	1.5
101.60186	1.2
105.03313	1.2
106.04098	1.2
107.04902	32.1
108.02067	7.6
108.05213	1.3
109.02835	89.3
109.06468	7.6
109.99982	15.2
110.03103	3.6
111.00768	2.6
111.04412	12.4
112.03928	2.6
121.02856	3.1
123.00773	3.1
123.04405	12.9
124.01546	15.3
124.03945	2.2
125.02348	16.6
125.05972	100.0
126.06313	4.1
135.04411	36.0
136.04747	2.2
137.02258	1.9
137.99490	10.7
138.03110	11.4
139.00223	3.2
151.03874	2.9
151.11206	2.2
153.01852	33.8
153.05478	60.5
153.12758	5.1
154.02292	2.5
154.04993	4.0
154.05977	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	154.9977
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68762	1.5
55.01757	66.2
56.02082	1.7
67.01762	10.8
68.99704	1.7
69.60690	8.5
71.01253	10.4
83.01257	54.0
83.04897	4.9
84.01597	1.8
85.02838	2.7
85.61383	1.2
93.03335	15.5
95.01266	100.0
96.01595	3.8
98.20057	3.8
99.00717	3.1
109.02853	1.7
111.00761	27.6
111.04358	6.3
113.02335	1.7
114.05512	11.9
123.00728	1.9
127.00257	12.7
128.30920	1.3
137.02322	1.9
140.01004	3.2
154.99774	44.3
155.03429	39.4
156.00131	2.0
156.03767	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	155.0341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.9
56.02087	0.3
57.03334	0.4
58.02843	0.8
59.01246	0.5
65.01301	0.5
67.01758	5.9
68.99696	1.6
69.03326	0.5
69.48654	2.3
71.01244	1.3
72.99176	0.3
74.02371	0.4
75.12012	0.3
77.78783	0.3
79.01755	1.0
81.03322	1.1
83.01260	1.4
83.04903	1.7
84.04419	1.7
85.02830	1.0
86.02318	0.4
92.94157	0.3
93.03336	5.9
95.01263	100.0
96.00783	1.7
96.01579	3.5
97.02814	0.5
97.03958	0.5
98.02367	0.7
99.00727	0.4
101.01344	0.5
102.00887	0.4
109.02829	0.5
111.00758	0.9
111.04403	2.2
111.05560	0.4
111.08043	0.5
111.98383	0.3
112.01514	0.5
114.05521	1.8
123.00797	1.7
125.02368	0.4
125.03435	0.4
127.00229	0.7
127.03915	0.9
128.03491	0.3
129.04434	0.4
137.02350	1.0
140.01018	0.9
146.40706	0.3
154.02791	0.7
154.99828	0.7
155.03424	42.0
155.10716	0.5
156.03815	2.4
156.05583	1.0
174.81000	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0445
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00455	10.5
59.01249	100.0
64.01783	3.8
64.16126	2.6
65.01327	15.8
65.99718	13.1
67.02874	6.8
68.01258	4.0
71.00903	4.6
71.01257	49.9
71.51500	2.8
72.99179	13.1
82.02853	2.7
83.02434	4.6
85.02825	4.1
89.02313	41.1
93.03322	12.0
95.02400	3.5
97.38577	3.2
106.04004	14.4
107.02362	6.4
108.01930	4.0
108.05543	5.1
115.09988	2.5
120.01926	4.1
121.02850	62.4
121.05138	4.0
122.02390	3.8
122.03450	11.8
123.01888	8.1
133.89809	3.0
134.03641	3.8
134.83139	3.0
149.02382	23.6
149.03462	6.4
149.04541	9.4
149.05954	5.5
150.00119	3.6
150.01784	2.4
150.02975	14.0
150.06589	6.3
168.32808	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	149.0445
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00485	6.0
59.01248	100.0
65.01292	7.8
65.99714	8.2
71.01256	43.1
71.56086	4.8
72.99161	6.0
75.36272	6.0
75.36695	5.5
81.66593	5.7
89.02309	28.3
106.04009	14.8
107.02389	5.0
120.05572	5.2
121.02831	40.8
121.05091	5.4
122.03586	5.4
149.02327	22.2
149.04451	11.7
149.05977	5.7
150.02988	10.5
153.80823	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	151.0391
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80437	1.3
55.01754	2.4
59.01241	3.5
61.12249	1.6
65.03817	1.7
65.99708	1.6
66.03355	4.5
66.12910	1.3
67.01761	1.8
69.03311	2.1
70.79491	3.3
71.01244	4.0
79.05417	3.4
80.02538	2.4
81.03327	5.5
84.22894	1.5
89.02322	3.1
92.01288	3.1
93.03334	5.3
95.04897	48.8
95.05508	2.4
96.05238	2.4
106.03988	1.5
107.04903	25.5
108.02052	35.5
109.02877	9.2
110.02416	1.5
122.03621	6.2
123.00799	2.5
123.04406	48.1
124.04765	2.1
127.67130	1.3
136.01555	100.0
137.01894	6.6
151.03912	51.8
151.04868	1.6
152.03358	3.4
152.04402	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	147.029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14369	3.3
56.95486	2.8
57.03320	41.2
59.01251	55.8
62.45369	3.0
66.93892	2.8
71.01259	25.6
71.04887	13.5
71.50376	4.2
72.99172	12.5
73.02817	4.5
73.06451	3.5
75.00742	21.5
83.01255	5.8
84.58578	2.6
85.02822	79.4
86.03138	3.0
87.00745	100.0
89.02287	4.6
98.29427	2.9
99.00745	5.1
101.02327	12.4
101.05969	19.1
103.03287	2.4
103.03852	15.3
103.05822	5.9
103.35664	3.3
111.00784	3.9
122.67434	3.4
129.01825	39.5
147.02898	31.5
147.06528	18.5
151.06256	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	148.0522
Annotation	Unknow
Peak:m/z	Relative Intensity
64.01785	2.2
65.01325	7.9
65.99732	3.9
67.02875	1.7
69.81453	6.1
82.02895	1.3
89.02327	2.6
91.02898	1.6
91.05392	3.4
93.03325	6.5
95.04914	2.4
105.03330	5.0
105.04465	2.7
106.02859	1.7
106.03995	10.7
119.04924	4.2
121.01968	2.3
121.02847	41.8
121.03883	2.6
121.04032	2.4
147.04405	25.3
148.05191	100.0
149.02365	7.2
149.03432	1.8
149.04517	2.2
149.05487	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	142.9977
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00196	28.1
54.00536	2.4
55.01747	14.3
58.76912	2.0
59.01250	14.7
68.99691	6.6
69.03323	3.2
69.43624	18.7
71.01254	50.7
71.68497	2.3
72.99201	4.2
80.99689	4.0
81.03316	2.9
83.01273	3.1
85.02831	6.0
87.00778	13.9
96.99202	32.5
99.03628	2.8
99.04367	5.6
112.98700	42.7
115.00266	11.3
124.98704	90.0
125.02297	4.6
125.99041	3.9
140.98219	8.7
142.99774	100.0
143.03419	6.5
144.00026	5.2
144.04517	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	142.9976
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42284	3.6
50.77112	3.0
51.36224	3.2
51.51781	3.1
53.00183	15.9
55.01748	14.0
57.03285	2.7
59.01245	7.7
68.99678	9.1
69.03340	6.9
71.01249	59.9
71.45088	4.9
73.02789	4.0
80.99711	7.6
81.03350	4.4
83.01243	5.2
85.02801	17.7
87.00769	17.9
87.01207	3.1
89.08106	2.9
90.82291	2.9
96.99178	26.7
97.02805	7.2
97.06470	5.2
99.04398	3.6
99.08064	4.5
108.77479	3.1
112.98689	25.8
113.02313	4.4
115.00258	10.6
124.98697	73.9
125.02351	10.9
125.99046	6.1
137.48001	3.6
140.98215	7.1
142.99762	100.0
143.03458	15.6
143.10681	14.6
144.00116	5.5
144.04446	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	145.0861
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67897	0.5
53.73259	0.6
64.01788	1.8
64.02112	0.5
65.01318	4.9
65.99718	2.9
66.00864	0.7
71.07287	1.2
72.99178	0.7
75.08060	0.5
77.01328	2.9
81.04459	0.8
83.04900	1.9
90.00871	0.8
91.02863	1.4
95.17058	0.6
97.06477	2.9
99.04393	0.7
99.08033	100.0
100.08363	4.9
101.05964	1.3
103.01629	0.7
104.02461	0.6
105.03234	0.9
105.04468	0.9
106.01572	0.9
116.02467	1.1
116.03306	0.6
118.02888	2.5
118.03992	9.6
119.02386	4.7
119.04407	0.5
127.07527	1.1
131.01140	0.7
143.07016	1.1
145.01501	1.0
145.02751	1.9
145.03931	1.4
145.05040	5.6
145.08606	36.3
146.02361	5.1
146.03494	3.1
146.07130	1.4
146.08942	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	146.045
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	6.7
58.00462	2.6
59.01254	32.9
62.23657	1.8
67.01750	1.6
69.46545	13.1
71.01254	19.3
72.99193	9.0
75.00749	15.6
83.01199	1.9
85.02836	13.8
87.00753	9.3
89.02324	4.6
99.00748	6.3
101.02299	5.7
102.05492	100.0
103.00271	2.2
103.05826	4.1
111.00800	2.1
113.34028	1.5
118.02876	3.3
128.03430	38.7
129.01852	9.2
146.02403	8.7
146.04478	11.6
147.02875	5.3
147.04489	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	123.0441
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12003	1.7
52.21282	1.8
53.94857	1.7
64.81876	1.7
65.01314	4.1
67.01762	21.7
68.01298	2.0
68.99676	6.0
69.03329	18.1
71.01254	3.1
79.01766	5.6
79.02872	3.7
80.02539	4.0
81.04435	5.0
82.02844	4.0
82.03970	4.4
93.03345	11.7
95.01260	41.9
95.04908	20.9
98.19861	5.2
105.03368	5.2
108.02054	52.8
109.02426	2.2
114.23589	2.0
116.30596	1.8
121.02847	8.2
123.00773	25.5
123.01875	6.3
123.04408	100.0
124.01493	3.9
124.03966	2.5
124.04806	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	127.039
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93333	0.5
52.08716	0.6
55.01754	1.0
67.01761	100.0
68.02091	3.1
69.03325	1.5
69.92847	0.5
70.70742	0.5
71.01247	1.2
71.50348	0.9
79.73395	0.6
81.03321	1.3
83.01264	0.7
83.04907	0.9
85.02842	1.2
85.03947	0.9
86.02336	0.8
97.02866	0.8
99.00758	1.6
99.04433	0.7
112.01551	2.2
126.90324	1.0
127.00290	3.9
127.03893	12.5
128.02597	0.5
128.03444	2.5
128.04295	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	15.9
57.03324	41.6
59.01250	8.5
67.01763	100.0
67.10714	4.6
68.02074	5.4
68.99686	38.5
71.01257	20.8
71.12599	8.6
72.99174	18.7
73.02827	14.3
83.01273	13.9
83.17246	4.0
83.80569	4.1
85.02813	55.1
87.00744	10.7
88.03904	8.4
96.99178	5.6
99.00761	8.5
128.36871	4.5
129.01842	47.4
129.05457	5.0
130.03993	11.6
130.08649	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	133.0132
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	0.3
57.70698	0.3
59.01246	2.0
71.01251	72.8
71.07487	0.4
72.01604	1.9
72.99178	16.1
73.99512	0.3
83.89616	0.3
87.00739	1.9
87.04395	0.5
89.02312	7.7
89.02845	0.6
91.14819	0.3
91.94126	0.3
97.51181	0.3
107.03587	0.4
115.00254	100.0
116.00598	4.3
133.01320	20.6
133.04956	0.8
134.01668	0.8
134.04639	0.4
135.30498	0.3
141.21176	0.3
149.38560	0.3
153.49240	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.029
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	8.2
65.01325	1.2
65.99717	1.1
66.42252	0.8
69.81507	3.5
71.01250	5.6
71.98475	0.7
72.99178	17.4
73.02818	1.5
75.00747	100.0
76.01069	2.7
80.96370	1.3
81.03285	0.7
85.02808	2.6
87.00758	3.0
89.02316	7.6
92.04964	1.2
93.03354	2.9
94.02851	0.8
95.01295	0.9
98.20528	0.7
105.95948	0.8
106.04057	1.4
107.04910	4.3
108.02056	4.6
108.05396	0.7
117.00719	1.1
117.01792	1.7
117.03333	0.9
134.03644	10.8
135.02888	19.0
135.04419	59.6
135.83397	0.6
135.96997	9.3
136.01564	2.5
136.04782	4.9
151.92601	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	1199.5839
Annotation	Unknow
Peak:m/z	Relative Intensity
83.04892	1.2
85.02823	19.5
87.00742	4.5
88.88883	0.5
89.02304	1.0
93.03332	9.9
95.01297	0.5
96.95876	0.7
97.02848	0.6
99.04384	0.7
101.02326	1.7
109.02848	2.1
111.04382	2.1
113.02290	0.7
121.02898	0.5
125.02347	0.8
127.03907	3.9
133.02805	1.5
135.04402	1.9
137.02362	0.7
143.03305	0.4
152.99506	0.8
155.03310	0.9
158.03633	1.3
159.04405	1.8
171.02893	1.3
171.04372	0.8
172.05222	4.2
173.02367	0.9
173.04465	2.5
173.05829	0.7
174.03143	3.8
179.03473	0.7
184.05182	0.5
185.05988	0.5
186.03131	1.1
187.03976	1.8
191.05533	100.0
192.05862	2.6
197.06024	1.2
198.06746	0.8
199.03879	4.6
200.04666	1.9
201.05440	0.6
211.03969	0.5
213.01846	0.4
213.05588	0.8
214.02568	1.1
224.04713	0.5
227.03459	14.2
228.04234	5.8
237.16452	0.7
253.16161	0.7
255.23267	7.8
256.23532	0.6
257.15347	0.4
260.65167	0.5
265.16113	0.6
267.02521	0.5
281.12375	0.8
281.15338	3.4
283.13379	16.9
284.13882	1.2
297.14972	0.6
299.16544	1.1
301.14542	3.2
309.14944	16.3
310.15228	0.9
311.12927	5.4
311.16296	0.4
312.13440	0.7
325.14514	3.0
327.12271	2.2
327.16006	8.0
328.16013	0.6
329.13992	2.8
335.12851	0.6
343.15302	0.6
345.17047	0.5
351.07300	0.5
353.13892	20.9
354.14252	1.4
371.14948	4.4
372.15164	0.5
445.17978	0.4
703.43854	0.4
751.28400	0.6
769.29297	2.2
947.50159	1.0
963.50519	5.6
964.50037	1.1
965.51221	5.0
966.51123	1.1
979.52899	2.6
980.54462	0.5
981.54529	2.3
989.51385	5.2
990.50830	1.4
1007.52173	94.8
1008.52576	20.6
1025.52698	4.2
1026.53564	1.2
1181.57397	17.6
1182.57837	4.9
1199.58496	31.1
1200.59241	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	1199.5858
Annotation	Unknow
Peak:m/z	Relative Intensity
83.04887	0.5
84.80964	0.4
85.02821	21.1
87.00739	5.0
89.02318	1.0
93.03339	9.9
95.01283	0.7
97.02811	1.0
99.04410	1.1
101.02314	1.7
108.02119	0.5
109.02832	2.4
111.00897	0.5
111.04405	2.7
113.02320	1.0
115.17490	0.4
117.03362	0.9
121.02887	0.5
125.02357	0.8
127.03862	4.0
133.02835	1.0
135.04413	1.1
145.31854	0.4
152.99477	1.2
155.03358	0.8
156.05717	0.4
158.03621	0.8
159.04449	2.0
164.46326	0.4
171.02904	1.1
171.04349	0.8
172.05208	3.2
173.02304	0.9
173.04449	2.7
173.05807	0.8
174.03151	3.2
183.04474	0.9
183.99847	0.4
185.05995	0.7
186.03136	1.2
187.03871	1.2
191.05534	99.5
192.05891	2.9
197.05960	1.2
198.06802	0.9
199.03931	6.3
200.04683	1.7
202.06252	0.8
204.04158	0.9
211.03970	0.8
214.02647	0.7
216.04402	0.5
221.06633	1.4
227.03445	18.2
228.04218	7.1
232.03683	0.6
239.14621	0.5
253.16090	0.5
255.13869	0.5
255.23337	3.6
267.13928	0.8
277.21655	0.5
281.15582	2.5
283.13382	16.9
283.16422	0.8
284.13733	1.1
285.14700	0.4
299.16577	1.3
301.14389	4.5
307.13593	0.4
309.14929	15.3
310.15366	1.1
311.12930	5.9
311.16431	0.7
312.13132	0.5
325.14465	3.3
327.12350	2.2
327.16019	9.3
328.16528	0.8
329.14023	3.7
335.12872	0.8
343.15472	1.5
345.13327	0.9
345.17099	0.8
353.13913	18.2
354.14401	1.3
371.14966	8.5
372.15369	0.7
397.13910	0.5
445.18796	0.8
544.30408	0.5
589.22852	0.6
683.41595	0.5
725.26971	0.7
751.28711	1.4
769.29089	3.9
947.50781	1.1
963.49927	8.7
964.50421	1.4
965.51105	3.8
966.51624	0.9
979.52930	1.8
981.54071	1.7
989.50720	5.0
990.51312	0.7
1007.52179	100.0
1008.52533	19.6
1025.52954	7.0
1026.52710	1.2
1181.57446	14.2
1182.57275	3.9
1199.58630	32.5
1200.58557	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	119.0338
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00224	12.6
52.90412	1.4
55.01757	2.6
56.72050	1.1
58.00465	2.0
59.01249	40.8
64.01788	4.7
65.01315	27.9
65.99721	22.1
66.00845	1.4
68.01287	9.6
71.01254	21.5
71.50670	2.0
72.99178	7.2
73.02792	2.0
77.01308	6.9
79.02890	3.5
83.01285	1.4
89.02303	3.2
91.02894	18.3
91.05392	3.7
92.01299	18.0
92.02431	7.8
93.00816	9.7
93.03341	3.2
93.04454	1.4
99.00743	1.3
100.38613	1.2
101.02341	3.0
101.03844	2.5
101.92306	5.8
101.92915	1.5
104.02492	1.2
105.03232	1.6
117.03315	2.2
118.04018	5.2
118.92525	14.9
118.93304	2.2
119.02409	50.5
119.03424	9.0
119.04903	92.1
119.05939	3.0
119.85745	1.1
120.01930	25.3
120.02708	1.3
120.05573	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00218	5.1
55.08640	1.1
59.01236	6.6
65.01317	13.2
65.99724	8.8
66.81304	1.2
68.01287	3.7
71.01250	1.6
71.45959	2.7
72.99197	1.5
73.02816	2.3
77.01310	4.1
84.17772	1.1
91.02882	7.0
91.05408	2.0
92.01297	5.7
92.02406	3.0
93.00817	5.1
93.03323	4.0
101.77227	1.3
101.92289	1.3
113.04017	1.1
117.14175	1.2
118.03973	3.1
118.92571	3.5
119.02425	22.5
119.03443	7.2
119.04903	100.0
120.01914	17.4
120.03206	1.3
120.04364	2.1
120.05565	38.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1197.439
Annotation	Unknow
Peak:m/z	Relative Intensity
83.04896	0.3
85.02808	0.8
87.00744	1.7
93.03334	20.5
94.03677	0.8
95.00732	0.3
95.01243	1.4
95.04897	0.7
95.44702	0.2
99.00775	0.3
99.04437	0.3
99.17857	0.2
101.02371	0.3
105.03334	0.7
107.04916	0.7
108.02026	1.2
109.02834	5.4
111.04364	1.7
111.47157	0.3
117.03307	0.3
119.04920	0.6
121.02849	9.8
121.06481	0.2
122.03630	17.4
123.00771	3.2
123.04498	1.8
124.01556	1.4
125.02348	0.8
127.03892	0.4
129.01840	0.4
131.04968	0.5
132.02075	0.5
133.02847	2.3
134.03627	3.3
135.04410	2.1
136.01555	6.1
137.02344	19.7
138.03154	3.4
139.00293	0.7
139.03864	0.9
141.01810	0.3
145.02873	1.3
146.03651	1.6
147.00772	0.4
147.04424	0.9
148.01543	0.9
149.02350	34.2
149.05977	2.2
150.03127	100.0
151.00279	11.3
151.03922	11.6
152.01074	2.2
152.04678	2.8
153.01852	1.5
153.05505	1.3
154.02638	0.4
154.57771	0.2
155.03418	0.5
158.03656	0.3
159.04390	1.1
160.01552	0.3
161.02371	2.1
161.06010	0.9
162.03145	3.1
163.03928	2.1
164.01064	0.8
164.04704	8.1
165.01848	30.1
165.05479	92.8
166.02626	24.2
166.05748	3.3
167.03384	3.6
168.04187	1.6
173.02293	0.5
173.04478	5.8
174.04810	0.3
175.03886	2.4
175.07532	0.4
176.01120	0.5
176.04697	0.9
177.01872	2.8
177.05458	4.8
177.06859	0.3
178.02629	1.8
178.05861	0.3
179.03424	9.0
179.07040	6.7
180.04201	23.0
181.04979	35.1
182.05325	1.1
184.03679	1.5
185.63533	0.2
187.03954	2.3
188.04713	0.8
189.01880	0.4
189.05505	0.5
190.02678	1.2
190.06319	1.3
191.03441	1.8
191.05539	3.2
191.07056	0.5
192.04260	2.2
193.04977	3.3
194.05809	2.4
195.06554	70.5
196.06863	3.0
202.06299	0.7
203.03465	0.5
203.06891	0.3
204.04218	0.7
205.04982	7.0
205.08627	0.7
206.05731	1.2
207.06546	2.4
209.04517	0.7
209.08153	2.3
210.05289	3.3
211.05948	0.5
215.90372	0.2
217.08745	0.4
219.06615	2.1
220.07346	4.9
221.08131	1.1
223.06000	0.6
225.07632	12.3
226.07898	0.7
231.10216	0.3
233.08199	0.3
235.09743	1.0
253.05025	0.4
254.05862	0.3
260.74985	0.3
265.05087	0.4
266.05731	0.4
275.09238	0.4
281.04498	0.3
282.05386	1.3
283.05798	0.4
285.07556	0.3
296.06714	0.4
297.04330	0.4
297.07706	1.0
299.09207	0.8
309.07495	0.4
311.05655	0.3
311.08990	0.5
313.07010	0.4
314.07925	0.6
315.08716	1.9
325.07358	0.4
327.08643	0.5
328.09610	0.5
329.10297	2.7
339.08749	0.9
341.10004	0.8
343.11832	2.7
353.10056	0.3
354.11414	0.4
355.11935	0.7
356.12637	0.4
357.09763	0.6
358.10571	0.4
359.11255	1.3
369.09598	0.3
369.13635	0.4
370.14014	0.3
371.11227	1.1
372.12140	1.4
373.12924	10.4
374.13351	0.5
383.11227	0.5
384.12082	0.4
385.12793	0.5
386.13742	0.8
387.10748	4.2
387.14633	3.2
388.11179	1.4
399.14490	0.3
401.12256	0.7
402.13251	4.0
403.13937	6.0
404.14398	0.7
415.14050	0.3
416.14935	1.7
417.15530	20.6
418.15735	1.3
421.15018	19.2
422.15417	1.8
449.14548	6.9
450.14993	1.3
467.15588	9.3
468.15909	0.9
471.16544	0.4
481.17212	0.6
482.17328	0.5
505.15274	0.7
507.16525	0.4
517.15308	0.5
520.17255	0.9
532.17133	0.3
535.16504	2.9
536.16498	0.5
547.19916	0.4
549.17542	0.5
550.18439	3.0
551.19092	0.7
563.19196	0.5
564.20013	0.8
565.20776	31.2
566.21283	3.9
577.20453	0.4
579.18402	0.4
580.19550	0.7
581.19861	0.3
583.22034	1.0
594.21381	0.9
595.21820	21.0
596.21948	2.4
599.21631	0.6
612.22839	0.6
613.22882	33.4
614.23230	5.2
614.31677	0.2
625.22839	0.5
642.23358	0.3
643.23944	4.3
644.24451	0.6
649.22852	0.8
667.23901	0.4
697.24933	1.2
715.26270	0.4
743.26965	4.7
744.28015	0.7
773.28235	4.0
774.28564	0.8
775.28168	0.5
791.29175	16.1
792.29541	2.7
803.29370	1.8
804.29236	0.4
821.30188	10.1
822.30438	1.6
837.29083	0.3
838.29480	0.4
839.31244	21.7
840.31458	3.9
845.29962	1.3
893.31982	1.3
939.34332	5.0
940.34656	1.4
951.33624	0.5
953.34088	0.3
969.35400	10.9
970.35663	2.6
987.36621	11.0
988.36700	2.9
999.36554	2.0
1000.37512	0.4
1001.38129	0.3
1017.37646	7.3
1018.37848	1.9
1035.38538	7.6
1036.38879	1.8
1173.18799	0.3
1197.42310	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1189.3617
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01254	0.6
85.02796	1.3
87.00735	0.8
89.02311	4.0
93.03310	1.3
95.01257	0.3
101.02318	5.2
104.03958	0.4
107.01263	0.9
108.62023	0.3
113.02317	2.4
117.03311	1.3
119.03390	2.5
121.02800	0.6
123.04343	0.4
127.22085	0.3
131.03383	0.5
135.04376	0.7
137.02295	0.4
143.03358	1.1
148.01640	0.4
149.02408	1.8
149.04451	0.4
149.99422	0.4
150.03114	1.3
151.00298	2.0
153.96402	0.3
159.04411	0.4
161.04457	1.1
165.05475	2.2
171.04372	0.6
173.04500	0.7
179.03427	0.4
179.03986	0.4
179.05524	3.7
181.04959	1.2
183.04387	0.4
184.05173	0.5
191.05533	5.5
192.06039	0.4
196.05219	0.5
200.04686	0.5
201.05519	0.5
211.03918	1.4
225.05577	0.4
228.56688	0.4
233.04518	0.7
239.03424	2.5
240.04199	3.7
251.09070	0.5
255.03027	0.9
267.02979	1.5
268.03751	89.9
269.04483	34.8
269.08685	0.5
270.04840	2.3
278.92889	0.4
281.04599	0.5
283.02606	0.3
283.05954	0.7
284.03223	1.8
285.03885	0.9
299.05646	1.6
310.60919	0.3
311.05499	1.3
431.09814	100.0
432.10193	7.8
467.15500	0.4
493.17123	3.6
494.16965	0.5
525.16187	6.8
526.16626	0.6
535.18665	0.4
554.14819	0.4
577.19183	0.6
581.22406	2.5
595.20380	3.5
607.16626	2.5
608.17059	0.7
609.16077	0.3
681.08960	0.3
732.81171	0.4
740.08380	0.4
757.25439	0.4
1189.38342	0.9
1190.34863	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1189.5714
Annotation	Unknow
Peak:m/z	Relative Intensity
96.96835	2.5
98.20564	0.3
107.01279	0.3
121.34523	0.1
133.02867	0.5
134.03670	0.2
149.02292	0.2
150.97920	0.5
151.00262	0.6
152.99484	45.4
153.99846	0.5
160.15773	0.1
171.00551	12.1
172.00914	0.2
175.03923	0.4
191.05571	0.2
194.57368	0.1
198.03119	0.1
199.03949	0.4
204.25670	0.1
211.03775	0.2
217.05037	0.2
227.03215	2.8
245.04276	57.7
246.04599	1.2
253.21696	26.3
254.22032	1.2
255.02943	0.2
255.23183	0.3
256.03607	0.6
283.02466	0.1
284.00015	0.2
284.03256	7.6
285.04019	14.4
286.04333	0.7
327.05078	0.2
345.00122	0.1
481.25684	100.0
482.26031	7.4
482.33316	0.1
572.80499	0.1
707.30664	10.9
708.30804	1.5
725.38574	0.2
759.93823	0.1
898.91284	0.1
1110.37244	0.1
1171.53467	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1181.446
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01237	0.1
83.04902	1.2
85.02827	1.1
87.00748	10.1
93.03333	73.7
94.03671	1.7
95.01275	0.3
97.02823	0.3
99.00760	1.1
99.04395	1.2
101.02319	0.2
105.03334	0.6
107.01366	0.1
108.02063	0.3
109.02842	0.8
111.00768	0.1
111.04403	8.3
113.02324	1.0
115.03891	0.6
117.03330	0.3
119.04919	0.3
121.02829	0.3
122.03612	0.2
123.00769	0.2
123.04456	0.1
124.01516	0.2
125.02331	0.2
127.03912	0.3
129.01830	1.4
132.02080	0.3
133.02846	2.3
133.24829	0.1
134.03627	5.4
135.04417	5.8
137.02347	0.7
139.03925	0.1
143.03383	0.5
145.02869	0.2
149.02330	0.4
150.03139	1.0
151.03923	0.7
153.01797	0.2
155.03403	2.1
160.01576	1.0
161.02333	0.9
162.03107	1.8
163.03793	0.1
165.01816	0.1
165.05486	1.0
167.03291	0.1
173.04465	27.6
174.04832	0.9
177.01860	0.3
178.02605	0.3
179.03401	1.1
181.04941	0.2
187.07550	0.3
189.05580	0.1
191.05534	8.8
192.05823	0.2
195.06520	0.9
200.04486	0.1
204.20782	0.1
215.05563	0.1
227.03644	0.1
231.10196	3.1
232.10548	0.3
257.08182	0.5
275.09210	4.8
276.09662	0.3
284.03345	0.2
285.04391	0.2
285.07739	0.5
286.08035	0.3
300.03271	0.1
300.10062	0.3
301.10812	0.2
307.08252	0.4
308.09094	0.6
331.11960	0.3
351.07220	1.0
352.08005	1.1
357.06400	0.1
449.14487	100.0
450.14853	8.5
467.15201	0.5
505.20831	0.5
517.20776	0.5
626.02386	0.1
665.26831	0.2
683.26672	0.2
731.29138	1.5
732.30066	0.3
769.98645	0.1
958.72937	0.2
1181.43506	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1187.3095
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01256	0.3
85.02800	0.1
93.03304	0.1
105.03334	0.2
107.01279	1.0
109.02850	0.3
121.02843	0.3
132.02046	0.2
133.02847	2.6
134.03624	0.4
135.04401	0.2
145.06453	0.1
147.00790	0.1
148.01540	0.2
149.02325	0.8
149.99474	0.2
151.00278	2.7
161.02328	0.1
169.01331	0.2
171.04388	0.2
173.05948	0.1
174.03191	0.1
175.03922	1.3
177.01837	0.3
183.04437	0.3
185.05966	0.3
187.03957	0.3
188.04659	0.1
191.05545	1.3
195.04413	0.2
196.05066	0.1
197.05965	0.3
198.03181	0.2
199.03912	1.3
200.04637	0.3
201.01784	0.5
211.03868	0.5
212.04663	0.3
213.05522	0.3
214.02702	0.1
215.03471	0.3
217.05028	0.8
223.04094	0.1
227.03450	0.8
228.04164	0.1
229.05026	0.2
229.36078	0.1
239.03467	0.3
240.04280	0.1
241.05063	0.6
242.02136	0.2
243.02910	0.4
255.02954	0.8
256.03735	2.4
257.04535	0.4
267.02927	0.3
283.02545	0.5
284.03256	42.3
285.04007	66.7
286.04370	3.7
297.04044	0.2
298.04797	0.2
309.04153	0.5
327.05042	1.1
328.05414	0.1
339.04874	0.1
357.06128	0.3
429.08231	0.6
447.09314	3.5
448.09711	0.3
473.10989	0.2
560.62396	0.1
592.13934	0.1
593.15082	100.0
594.15411	10.0
735.22424	0.1
739.20660	0.9
833.20154	0.1
909.34955	0.1
911.63226	0.1
1199.80457	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0183
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47934	0.3
59.01257	0.7
71.01252	1.5
71.25832	0.7
73.02818	100.0
74.02345	0.4
74.03150	3.0
87.00755	0.3
91.17038	0.4
99.00097	0.5
99.00753	8.1
99.01363	0.7
99.92449	1.1
103.96519	0.4
116.92731	3.4
117.01821	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	1171.481
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03334	1.0
83.01260	0.3
83.04871	1.3
85.02822	8.0
87.00748	5.4
89.02328	0.4
89.03864	0.6
91.05409	0.3
93.03333	25.5
94.03686	0.6
95.01254	0.5
95.04907	0.8
97.02832	0.4
99.00749	0.5
99.04391	0.6
101.02344	0.7
105.03354	3.3
107.04896	0.5
108.02058	1.3
109.02833	4.4
111.00710	0.4
111.04400	3.2
113.02314	0.4
117.03349	0.4
121.02852	1.2
122.03651	0.8
123.00758	0.4
123.04412	1.7
124.01579	1.8
125.02346	0.9
127.03905	2.3
129.01851	0.6
132.02052	2.7
133.02853	25.2
134.03680	4.2
135.04416	44.2
136.04724	1.5
137.02351	2.6
139.03925	0.8
149.02327	1.1
150.03137	2.1
151.00204	0.3
151.03912	3.5
152.04193	0.3
152.99550	0.2
155.03426	1.2
159.04430	0.7
160.01588	1.7
161.02357	5.5
161.06023	0.3
162.02940	0.3
163.03894	0.4
163.11261	0.4
165.05528	0.4
171.02933	0.3
172.05196	0.4
173.04478	6.5
173.05907	0.4
174.03186	0.7
174.04716	0.2
174.06689	0.3
175.03938	0.4
177.01842	4.7
178.02646	2.5
179.03427	8.9
180.03920	0.4
187.03986	0.7
189.05502	0.3
191.05539	51.1
192.05872	1.9
194.02110	0.3
198.06790	0.3
199.04002	0.3
200.04678	0.7
202.06223	0.3
209.11754	3.0
210.12196	0.3
211.13301	1.2
213.05557	0.3
215.05533	4.4
215.07480	0.3
216.05914	0.3
227.03464	0.5
227.12857	0.3
228.04268	0.4
241.05025	0.3
257.15399	0.2
269.04596	0.3
281.15680	0.2
283.13358	1.2
283.86157	0.2
285.04263	0.3
299.16516	0.5
301.14499	0.3
307.08261	1.2
307.13120	0.2
308.09070	0.8
309.14935	2.1
311.12845	0.6
311.16196	0.3
325.14490	0.7
327.15948	2.6
329.13885	0.4
335.08429	0.2
343.15637	0.5
345.17178	0.5
351.07166	5.4
352.07794	0.8
353.13925	2.5
371.14978	1.0
449.14478	0.3
525.95526	0.2
563.21368	0.5
564.21899	0.2
728.28101	0.2
769.29614	0.7
935.41589	1.0
937.41608	0.3
953.43524	1.1
953.95050	0.2
954.44629	0.3
961.40955	1.2
962.42554	0.3
979.41803	17.8
980.42297	3.6
997.42896	2.2
998.44122	0.3
1009.43988	0.3
1043.68103	0.3
1153.46997	2.3
1154.47852	0.6
1171.48047	100.0
1172.48462	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	1177.6657
Annotation	Unknow
Peak:m/z	Relative Intensity
84.45701	0.2
89.38672	0.2
92.24792	0.1
96.96842	2.3
112.09129	0.2
150.97943	0.4
152.99489	40.5
153.99869	0.5
158.61801	0.2
164.87016	0.2
171.00549	10.9
183.81717	0.2
191.05487	0.2
227.03221	2.4
245.04280	57.1
246.04620	1.1
253.21703	27.1
254.21977	1.5
277.21722	0.2
481.25705	100.0
482.26056	8.4
596.34540	0.2
916.01306	0.2
1005.64221	0.2
1159.60876	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1169.4659
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03333	1.2
83.04886	0.7
85.02824	8.1
87.00751	5.4
89.02339	0.5
89.03833	0.4
93.03337	26.0
94.03677	0.7
95.04897	0.8
98.19737	0.4
101.02344	0.5
105.03338	2.9
107.04928	0.9
108.02068	1.2
109.02844	4.0
109.06489	1.1
111.00754	0.4
111.04412	2.8
113.02395	0.3
113.87760	0.3
121.02839	1.7
122.03667	0.8
123.04407	1.5
124.01523	2.2
125.02377	1.2
126.03153	0.6
127.03900	2.2
129.01825	0.6
132.02106	1.9
133.02852	24.1
134.03677	4.6
135.04416	46.9
136.04782	1.8
137.02339	2.1
139.03888	0.6
149.02328	1.1
150.03157	3.4
151.03926	3.7
155.03412	1.4
159.04396	0.8
160.01585	1.6
161.02348	4.8
161.05995	0.4
163.03932	1.1
163.11263	0.4
165.05463	0.9
171.02924	0.5
172.05190	0.6
173.04472	6.6
174.03163	0.8
177.01862	5.4
178.02655	2.0
179.03415	10.6
180.04094	0.5
187.03923	0.7
191.05539	54.6
192.05859	1.7
195.06581	0.4
200.04628	0.5
207.10187	1.5
209.11775	0.6
211.13387	1.0
215.05548	4.2
225.11311	0.9
280.88095	0.4
283.13443	1.1
285.04181	0.5
296.28931	0.4
307.08261	1.0
308.09100	1.1
309.14920	2.4
311.12662	0.6
325.14441	1.0
327.15872	1.9
329.13818	0.5
351.07184	6.6
353.09692	0.4
353.13818	2.1
371.15005	1.2
420.26025	0.4
769.30438	0.8
815.37152	0.5
852.86163	0.4
933.39990	1.0
951.42401	1.0
959.38202	1.8
977.40204	18.0
978.40881	3.4
995.41412	2.0
1151.46753	1.7
1152.46179	0.6
1169.46521	100.0
1170.46899	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	1167.4298
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03339	0.7
83.17182	0.3
85.02838	0.9
87.00773	1.3
93.03334	13.3
94.03693	0.3
95.01265	0.9
95.04880	0.5
97.02840	0.4
99.00753	0.4
105.03326	0.7
107.04862	0.5
108.02055	1.2
109.02838	2.4
111.00759	0.4
111.04414	1.2
113.02371	0.3
117.03356	0.7
119.04869	0.3
120.84241	0.3
121.02841	9.1
122.03630	17.4
123.00755	2.0
123.04461	2.2
124.01580	1.0
132.02046	0.7
133.02864	2.6
134.03644	2.6
135.04436	1.7
136.01569	5.3
137.02348	7.5
138.03142	1.7
139.00282	0.8
139.03914	1.0
145.02863	1.4
146.03648	2.3
147.04433	1.4
148.01506	0.3
149.02350	33.6
149.05952	2.1
150.03128	100.0
150.99124	0.6
151.00276	6.5
151.03926	8.8
152.01015	1.1
152.04698	1.4
153.01830	0.7
153.05424	0.5
155.03432	0.6
155.10709	0.3
159.04436	0.5
160.01613	0.4
161.02319	1.9
161.04695	0.2
161.05988	1.3
162.03148	2.8
163.03970	1.2
164.04701	7.2
165.05479	93.7
166.02626	16.5
166.05730	3.0
167.03395	2.1
173.02333	0.4
173.04474	3.3
173.05884	0.6
175.03931	3.2
176.01010	0.5
176.04713	0.6
177.01869	1.6
177.05490	3.4
178.02579	0.9
179.03403	1.7
179.07043	5.0
180.04201	7.0
181.04984	21.4
182.05222	0.4
184.03615	0.7
187.03989	1.6
188.33147	0.3
189.01788	0.3
189.05498	0.5
190.02603	0.6
190.06296	0.9
191.03418	1.2
191.05533	4.8
191.07159	0.5
192.04156	1.0
192.05829	0.5
193.04970	1.3
194.05844	0.5
195.06552	45.8
196.06880	1.2
201.46880	0.2
202.06219	0.4
203.03371	0.4
204.04221	0.6
205.04993	3.4
205.08746	0.3
206.05717	0.8
207.06578	0.9
219.06578	2.0
220.07397	2.2
221.08083	1.0
223.06044	0.4
231.10266	0.4
233.08211	0.5
235.09517	0.6
238.06189	0.4
251.03450	0.3
254.05954	0.4
255.06551	0.3
265.05115	0.4
266.05865	0.7
267.06522	0.8
269.08109	1.0
270.08823	0.7
275.09296	1.4
282.05334	0.6
283.06110	0.3
285.04001	0.5
285.07419	0.3
297.07645	0.7
298.08365	1.0
299.08936	0.4
313.07391	0.5
313.10699	2.8
314.07654	0.4
315.08820	1.3
321.13751	0.3
327.08759	0.4
328.09451	0.9
329.10150	1.4
337.06796	0.3
337.10846	0.3
339.08664	0.6
340.09488	0.3
341.10120	0.8
342.10883	0.3
343.11819	10.4
344.12180	0.7
354.11053	0.3
356.12967	0.3
359.11194	1.0
371.11224	0.5
372.12122	1.2
373.12854	3.9
384.12033	0.3
385.12817	0.4
387.10123	2.4
387.14996	2.8
388.11465	1.2
391.14038	4.8
399.14682	0.4
402.13123	2.5
403.13873	1.9
415.13855	0.3
416.14874	0.3
417.15540	12.1
418.15744	0.9
449.14539	8.1
450.14664	1.0
467.15579	0.9
471.16092	0.5
505.14764	0.4
517.15015	0.4
520.17310	0.4
532.17249	0.3
535.15405	1.7
550.18439	1.7
551.18719	0.6
555.20691	0.6
563.19055	0.3
565.20734	14.8
566.21277	1.3
583.21838	0.4
594.21063	0.3
595.21918	8.9
596.22113	0.8
599.21063	0.5
613.22913	19.4
614.23059	1.8
667.23792	1.1
713.26514	1.3
743.27075	1.4
761.28137	12.1
762.28754	1.9
773.28223	0.8
775.28595	0.5
791.29199	5.9
792.29364	0.9
808.28387	0.5
809.30237	15.6
810.30707	1.9
815.29175	1.3
845.30493	0.6
863.31262	2.5
864.31366	0.4
909.33459	7.4
910.33337	1.4
921.32855	1.1
939.34558	13.7
940.34814	2.4
951.34308	0.6
957.35492	16.3
958.35809	3.5
969.35382	4.4
970.35333	1.0
987.36627	9.8
988.36847	1.7
1005.37518	9.0
1006.37891	2.1
1015.67596	0.4
1119.39917	0.4
1167.40491	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0027
Annotation	Unknow
Peak:m/z	Relative Intensity
57.92632	2.2
59.01239	8.2
70.65275	6.5
71.01256	100.0
71.04906	7.6
72.01573	3.2
73.03954	15.8
87.00747	10.1
89.01351	3.1
115.00284	12.3
115.03925	4.7
116.02451	4.1
116.07066	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	1145.3921
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01257	1.3
85.02823	6.1
85.61446	0.2
85.78310	0.2
87.00756	2.5
89.02316	30.6
90.02682	0.2
91.05427	0.4
93.03340	2.1
95.01268	3.2
95.04898	25.4
96.05222	0.5
97.02821	0.4
99.00758	0.6
99.04388	1.4
101.02321	32.7
102.02660	0.4
102.50191	0.2
103.05374	0.2
106.04144	0.7
107.04871	0.3
108.02061	0.8
111.00765	17.2
112.01089	0.3
113.02332	15.5
114.02636	0.3
119.03394	15.6
119.04833	3.4
120.03762	0.3
120.05275	0.3
121.02844	100.0
121.06447	2.8
122.03161	2.1
123.04405	19.0
124.04758	0.4
125.02366	0.8
125.64584	0.2
127.03898	8.2
131.03407	2.7
135.04395	0.7
137.02307	0.5
137.05980	2.5
139.00267	15.5
139.03886	1.7
143.03412	6.0
145.02846	0.4
146.03604	0.2
147.04425	6.5
149.01216	0.3
149.02348	4.5
149.04424	1.7
151.00276	0.5
151.07443	0.3
153.01848	0.5
153.05458	0.6
161.04474	8.2
161.05824	0.4
162.04675	0.2
163.03915	1.4
164.04739	0.2
165.05484	14.4
166.02647	1.5
166.05817	0.5
177.05386	0.4
179.05563	44.7
179.07050	9.1
180.05917	0.9
180.07298	0.3
181.04980	6.9
182.05330	0.2
183.66661	0.2
191.03418	3.8
191.05527	1.5
195.02893	0.2
209.04498	2.8
213.07440	0.4
223.06065	37.4
224.06395	1.2
241.07191	1.5
285.04034	0.3
301.09293	0.6
311.07574	0.3
324.43698	0.2
327.11066	0.4
333.08273	2.9
371.09818	46.7
372.10147	2.4
375.12912	0.3
387.10953	0.4
402.13211	0.6
403.12433	46.2
404.12845	3.4
417.15509	6.0
418.15686	0.5
490.87659	0.2
570.23718	0.2
575.14954	0.2
579.20129	0.6
795.70001	0.2
819.78632	0.2
861.03143	0.3
1076.05884	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1139.7105
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03316	1.8
83.01241	2.0
83.04900	1.3
85.02827	4.3
87.00761	4.4
89.02321	10.9
95.01265	1.7
97.02824	9.9
99.00746	2.3
101.01707	1.0
101.02325	12.0
109.02811	1.3
109.05717	1.0
109.06478	20.9
113.02335	7.5
119.03410	3.4
121.06447	0.9
125.02335	5.0
131.03349	0.8
135.08066	3.4
136.05193	2.3
139.03838	1.0
141.01811	1.4
142.02600	1.9
143.03355	2.4
149.04425	1.1
157.98814	0.7
161.04498	4.1
161.09564	1.6
163.11206	12.3
165.52222	0.7
179.05573	3.2
181.12238	2.6
182.97313	0.7
189.09079	2.9
207.10202	76.9
208.10504	3.5
209.11676	1.3
216.53978	0.7
217.07047	0.9
221.06615	2.1
225.11270	30.8
226.11514	1.4
234.68524	0.8
235.08150	5.4
243.12456	1.0
253.09125	1.0
255.23268	54.7
256.23630	3.7
269.24664	0.7
277.21649	2.7
281.13800	1.6
287.07697	1.4
299.15131	1.3
305.08801	1.4
323.09775	1.6
379.12421	9.1
397.13470	50.3
398.13849	2.6
415.14551	13.0
416.14789	0.9
419.35056	0.9
443.19162	1.0
587.23322	2.7
605.24554	8.2
623.25415	5.7
635.36658	2.3
653.37708	6.5
843.47211	2.4
861.48499	100.0
862.48663	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	1135.6393
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95771	35.0
89.26955	0.2
92.25222	0.3
93.95224	0.2
96.96850	2.8
117.67085	0.2
148.98918	0.2
150.97888	0.6
152.99484	46.5
153.99730	0.4
171.00552	13.0
171.46761	0.2
172.00877	0.3
175.86682	0.2
191.05536	0.5
209.40802	0.2
227.03188	2.6
238.36858	0.2
245.04274	59.7
246.04626	1.1
249.18536	0.3
253.21692	25.1
254.22069	1.3
417.34836	0.2
455.96445	0.2
481.25696	100.0
482.26050	8.0
549.10956	0.2
653.92889	0.3
693.38342	0.4
818.80896	0.2
853.90601	0.3
1076.46033	0.3
1117.48938	0.3
1135.51416	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1139.6132
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02812	0.1
85.87028	0.1
93.03329	0.1
107.01286	0.1
125.02331	0.1
132.02107	0.1
133.02910	0.1
134.03615	0.1
135.04420	0.1
139.43175	0.1
149.02332	0.1
150.03172	0.1
151.00278	0.3
182.03638	0.1
183.04536	0.2
187.03897	0.1
191.05521	0.4
199.03944	0.1
211.03938	0.2
217.13358	0.1
227.03490	0.3
239.03302	0.1
255.02959	46.3
256.03348	3.0
267.02905	0.1
268.03809	0.5
269.04520	2.5
270.04926	0.1
271.02548	0.2
281.04559	0.2
283.02460	33.4
284.03159	8.3
284.06540	0.1
285.03964	2.1
286.04437	0.1
295.02328	0.1
297.04019	7.7
298.04791	12.0
299.05548	7.4
300.02893	0.1
300.05981	0.4
313.03540	3.2
314.03958	0.2
326.04285	0.1
327.05170	0.4
328.05551	0.1
341.06888	0.4
356.05347	0.1
371.07956	0.1
399.07364	0.1
445.95773	0.2
446.08517	22.4
447.08832	2.2
461.10867	100.0
462.11240	8.8
576.13385	0.1
581.41437	0.1
677.49689	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1133.4084
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03332	0.4
85.02814	0.5
87.00719	0.3
89.02322	0.6
93.03329	6.6
95.01267	1.0
95.04898	0.8
97.02816	0.6
100.62711	0.3
101.02326	1.3
105.03318	0.4
107.04933	0.5
108.02074	1.1
109.02821	2.7
111.00751	0.4
119.03387	0.4
119.04912	0.3
121.02843	9.8
122.03629	15.7
123.00747	1.5
123.04456	2.5
124.01563	1.0
125.02358	0.6
131.04959	0.6
132.02045	1.2
133.02846	3.2
134.03629	5.9
135.04434	2.2
135.94786	0.3
136.01553	7.2
137.02339	8.9
137.05960	0.3
138.03127	0.9
139.00259	0.5
139.03851	0.8
145.02858	1.6
146.03662	2.2
147.04407	2.1
148.01587	0.8
149.02345	38.9
149.05972	6.7
150.03123	100.0
151.00272	4.2
151.03918	16.2
152.01021	1.4
152.04684	2.5
153.01834	1.3
153.05447	1.0
155.03404	0.4
158.03656	0.5
159.04398	0.7
161.02341	1.3
161.05957	1.3
162.03119	1.8
163.03923	1.1
164.04706	7.3
165.05478	90.8
166.02620	10.5
166.05804	3.5
167.03369	2.6
173.02386	0.5
173.04523	0.3
174.03064	0.4
175.00284	0.4
175.03929	2.4
176.01053	0.3
176.04538	0.7
177.01833	1.3
177.05482	3.4
178.02592	1.0
179.03479	1.5
179.05510	0.4
179.07053	7.4
179.19974	0.3
180.04196	6.1
181.04984	13.0
182.05237	0.3
184.03636	1.2
187.03923	1.6
190.02570	0.9
190.06248	1.0
191.03476	0.9
191.05507	1.9
192.04196	1.1
193.04999	2.0
194.05612	0.5
195.06544	26.8
196.06989	0.8
198.05319	0.4
202.06161	0.3
203.03424	1.0
203.07071	0.4
204.04149	0.9
205.05017	5.9
205.08542	0.4
206.05727	0.7
207.06465	1.7
209.87808	0.3
216.70657	0.3
217.08534	0.4
219.06462	1.7
220.07330	5.1
221.08060	0.8
225.07632	0.4
229.31258	0.3
233.08124	0.4
235.09705	0.7
239.03477	0.5
254.05466	0.4
255.03017	0.7
266.05801	0.6
268.03745	5.8
269.04529	2.3
282.05353	0.8
284.03201	0.6
285.03802	0.5
297.07605	1.0
299.05719	0.5
314.07928	0.7
315.08719	2.5
325.07263	0.6
329.10211	2.9
340.09634	0.5
341.10217	0.6
354.11090	0.4
355.11823	0.9
359.10950	0.4
369.13434	0.5
371.11346	0.9
372.12186	0.9
373.12836	0.4
386.13730	0.9
387.10086	1.9
387.15033	2.3
388.11258	0.8
399.14240	0.5
402.13074	2.2
403.14020	0.9
416.14783	0.7
417.15482	6.3
418.15903	0.4
431.09781	5.9
432.10248	0.5
463.14374	0.4
471.16580	0.6
509.21793	0.5
511.14597	1.0
512.14825	1.1
513.15240	0.6
520.17230	1.2
521.21832	0.5
535.16406	2.1
549.17627	1.9
550.18311	4.2
551.18939	1.7
564.20093	2.1
565.20734	19.1
566.21411	1.3
583.20563	0.9
595.22034	2.8
596.21741	0.5
611.21069	0.5
612.21790	2.1
613.22864	16.7
614.23260	1.3
619.21857	1.4
649.22321	0.4
667.23901	3.3
685.24829	1.2
698.23407	0.6
713.25946	15.0
714.26923	2.0
725.24951	0.4
743.27173	9.2
744.27051	1.4
761.28064	49.4
762.28577	6.1
773.28271	3.0
774.29498	0.4
791.29187	14.4
792.29108	2.1
809.30255	84.8
810.30548	12.4
923.32935	2.8
924.33734	0.6
953.33734	0.6
971.35455	4.2
972.34589	0.5
1053.21082	0.4
1133.37097	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1133.4086
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03314	0.3
85.02835	0.3
93.03329	5.1
95.01275	0.8
95.04913	0.8
96.72459	0.2
96.95894	0.4
97.59409	0.2
101.02293	0.3
105.03338	0.5
107.04910	0.2
108.02094	0.5
109.02848	1.5
111.00719	0.2
118.97280	0.2
121.02850	7.3
122.03632	15.8
123.00777	0.9
123.04508	1.2
124.01561	0.8
125.02379	0.3
132.02087	0.3
133.02841	2.1
134.03624	1.9
135.04404	0.9
136.01556	3.3
137.02339	4.4
138.03094	0.5
139.00269	0.8
139.03905	0.5
145.02849	0.7
146.03627	1.8
147.04411	0.7
148.95695	0.2
149.02348	24.0
149.05978	2.2
150.03130	97.3
151.00290	2.9
151.03912	6.6
152.01012	0.8
152.04626	0.9
153.01889	0.2
153.05400	0.3
155.03389	0.3
159.04541	0.3
161.02324	0.8
161.05998	1.0
162.03143	0.9
163.03889	0.6
164.03612	0.2
164.04709	5.7
165.05482	100.0
166.02634	7.3
166.05779	3.7
167.03381	1.2
175.03912	0.8
176.04639	0.4
177.01852	0.6
177.05452	1.4
178.02679	0.6
179.03455	1.0
179.05487	0.3
179.07042	4.2
180.02647	0.5
180.04208	6.9
181.04980	12.2
184.03641	0.2
187.03951	1.1
190.02676	0.4
190.06252	0.6
191.03577	0.4
191.05534	1.8
192.04184	0.4
193.04961	0.8
195.06555	42.8
196.06871	1.2
202.06331	0.3
204.04184	0.3
205.05002	2.7
205.08711	0.3
206.05737	0.7
207.06618	0.6
209.04449	0.3
218.05811	0.2
218.27541	0.2
219.06552	1.6
220.07370	2.0
221.04459	0.3
221.08060	0.6
235.09775	0.5
239.03462	0.3
268.03845	0.2
272.25287	0.2
282.05414	0.6
297.07706	0.2
315.08792	1.2
329.10321	1.0
339.08829	0.4
341.10345	0.3
345.53519	0.2
354.11145	0.3
355.11786	0.2
359.11319	0.2
369.13538	0.3
372.12112	0.3
386.13660	0.5
387.09973	1.4
387.15192	1.4
388.11078	0.3
402.13232	1.8
403.13977	1.2
416.14929	0.5
417.15579	5.9
418.16052	0.2
471.16751	0.3
519.16650	0.2
520.17389	0.8
535.15338	1.2
547.20166	0.3
549.17932	0.3
550.18396	1.7
551.19006	0.3
564.19745	0.3
565.20782	12.1
566.21130	1.4
583.21820	0.5
595.21851	2.4
596.22247	0.3
611.21344	0.5
612.22302	0.7
613.22876	16.2
614.23083	2.1
619.22107	0.6
649.22461	0.3
667.23877	2.1
685.25104	0.5
713.26044	2.4
714.26532	0.3
743.27179	2.3
761.28119	29.8
762.28412	5.2
773.28003	1.5
775.27887	0.9
791.29254	8.4
792.29254	1.4
809.30267	74.8
810.30579	13.9
858.15771	0.2
923.33838	2.4
924.33459	0.4
953.33411	0.4
971.35413	5.4
972.36328	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	1133.409
Annotation	Unknow
Peak:m/z	Relative Intensity
80.30032	0.1
81.03335	0.4
85.02833	0.5
87.00735	0.2
89.02306	0.3
89.24244	0.1
93.03334	5.6
95.01279	0.7
95.04906	0.6
96.95883	0.4
97.02845	0.2
98.19877	0.4
101.02315	0.5
105.03347	0.4
107.04898	0.4
108.02042	0.6
109.02816	1.9
111.00751	0.3
113.02295	0.2
119.03267	0.2
119.04888	0.3
121.01958	0.3
121.02840	7.8
122.03628	16.4
123.00764	0.9
123.04469	1.4
124.01553	0.7
125.02300	0.4
125.04714	0.2
127.03902	0.4
131.04976	0.2
132.02058	0.3
133.02843	2.0
134.03636	1.8
135.04427	1.0
136.01567	3.4
137.02350	4.5
138.03082	0.5
139.00253	0.6
139.03900	0.6
145.02846	0.5
146.03621	1.7
147.04411	0.5
148.01546	0.2
149.02350	25.0
149.05960	2.2
150.03125	98.7
151.00273	2.9
151.03911	6.5
152.01007	0.7
152.04681	1.1
153.01894	0.4
153.05542	0.4
154.02617	0.2
155.03377	0.4
159.04436	0.4
161.01102	0.2
161.02254	0.8
161.06006	0.8
162.03143	1.0
163.03912	0.4
164.03293	0.2
164.04700	4.8
165.05478	100.0
166.02634	7.4
166.05772	3.4
167.03357	1.4
173.04518	0.2
175.03908	0.9
176.04684	0.4
177.01855	0.7
177.05507	1.2
178.02582	0.5
178.97736	0.1
179.03430	1.0
179.07039	4.6
179.08569	0.3
180.04202	6.7
181.04976	11.2
182.05302	0.2
184.03680	0.6
187.03905	1.0
188.04663	0.2
190.02652	0.5
190.06219	0.4
191.03510	0.5
191.05534	2.3
192.04202	0.4
193.05008	1.0
194.05823	0.2
195.06552	41.9
196.06917	1.2
202.06322	0.3
203.03503	0.4
203.07039	0.2
204.04271	0.3
205.04951	2.4
206.05632	0.3
207.06519	0.7
219.06535	1.3
220.07367	2.2
221.08075	0.5
225.07729	0.3
235.09744	0.4
241.07056	0.3
282.05383	0.5
284.03094	0.2
285.04120	0.2
285.07953	0.2
297.07761	0.3
307.05771	0.2
308.06641	0.2
309.07620	0.2
314.07959	0.4
315.08740	0.9
325.07019	0.2
327.08771	0.2
329.10379	1.1
339.08487	0.3
341.10025	0.5
354.10861	0.3
355.11780	0.2
359.11322	0.2
367.94925	0.2
369.13486	0.3
371.11072	0.4
372.12057	0.5
373.12866	0.2
383.11465	0.2
386.13675	0.4
387.10208	1.7
387.15320	1.4
388.11215	0.4
398.45813	0.2
402.13174	1.6
403.13794	0.8
416.14804	0.3
417.15530	5.5
418.15811	0.4
421.14920	0.2
455.10251	0.2
471.16483	0.2
505.14682	0.2
517.15295	0.3
520.17499	0.6
535.16913	1.3
536.18292	0.2
547.19586	0.2
549.17615	0.2
550.18481	1.5
551.19043	0.5
563.18317	0.2
564.19458	0.3
565.20734	11.7
566.21027	1.5
583.21588	0.3
595.21820	2.7
596.22406	0.3
611.20648	0.3
612.22028	0.6
613.22876	16.2
614.23163	2.0
619.22058	0.4
655.24841	0.2
667.23700	2.1
668.24231	0.3
683.25134	0.2
685.25427	0.3
713.26080	2.4
714.26440	0.3
743.26855	2.2
744.27563	0.4
761.28088	29.1
762.28436	4.6
773.28412	1.1
774.28900	0.3
775.27881	0.8
791.29224	9.0
792.29578	1.6
809.30237	68.2
810.30585	12.9
923.33673	2.4
924.33136	0.5
953.34821	0.3
971.35394	5.6
972.35864	1.4
1133.36743	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1131.3776
Annotation	Unknow
Peak:m/z	Relative Intensity
79.01768	0.6
83.01244	0.9
83.44938	0.3
85.02819	3.8
85.72892	0.3
87.00736	1.8
89.02316	9.3
93.03324	3.9
93.41604	0.3
95.01263	14.1
95.04903	1.6
97.02828	2.7
99.00764	2.2
101.02320	34.2
102.02608	0.5
107.04885	0.5
108.02045	1.2
111.00770	1.0
111.04403	0.4
113.02322	5.1
119.03391	4.7
119.04886	2.4
121.02849	5.5
121.06472	0.9
123.00767	0.7
123.04410	12.5
123.05310	0.6
125.02310	0.5
127.03899	5.6
130.04108	0.5
131.04942	1.6
133.02811	0.7
135.04408	1.4
136.01575	0.4
137.02316	0.6
137.06003	0.4
143.03394	1.0
143.04910	0.6
145.02849	0.9
145.06471	0.8
147.04407	9.8
149.02336	4.8
149.05986	3.6
150.03056	0.6
151.00327	0.5
151.03915	0.7
153.05505	0.8
155.03404	29.9
156.03754	0.6
157.06505	0.5
158.03571	0.5
159.04407	1.0
160.05148	0.5
161.04472	1.7
161.05833	0.6
165.01797	0.8
165.05490	1.2
169.06435	0.5
171.04443	0.9
171.08070	0.6
173.04529	0.7
173.05991	1.1
174.03143	0.4
175.03922	11.6
175.07498	0.8
177.05487	0.5
179.03433	0.7
179.05518	5.3
181.04977	7.1
181.06512	0.8
183.08130	0.8
184.05237	0.6
185.05956	1.3
187.03833	0.5
189.05472	0.7
191.05557	7.2
191.07069	0.5
193.04987	0.8
193.06595	0.3
195.06500	0.5
197.05919	0.5
199.03983	0.3
199.07553	1.8
201.05515	1.0
201.09074	0.5
203.03419	19.8
203.07083	1.2
204.03911	0.5
205.04964	0.9
207.06567	0.6
209.04482	1.3
209.06184	0.4
211.07584	1.0
215.07104	0.5
217.04831	0.4
219.02736	0.4
219.06561	0.6
225.05620	0.6
225.07645	0.9
227.07098	5.4
227.10600	0.5
228.07358	0.4
229.08646	0.9
233.04472	1.1
235.06050	3.4
247.02507	1.4
247.06027	0.5
251.25235	0.3
254.79347	0.3
255.02855	0.4
255.06551	1.7
255.10268	1.4
259.09753	0.9
269.08279	0.4
271.06149	0.4
273.07733	0.6
279.05084	0.6
287.09232	2.5
296.89337	0.3
299.05588	1.0
299.08990	0.6
305.10477	0.5
331.08182	3.6
355.10516	0.4
373.11349	0.6
383.10147	0.3
399.13013	0.4
421.15170	0.5
429.12836	0.3
435.13013	1.2
449.14481	0.4
461.14709	0.6
465.13858	0.4
467.15735	2.6
479.16266	12.2
480.16696	0.6
493.13797	1.5
511.14551	100.0
512.14929	7.2
535.18097	0.4
563.17566	1.7
581.18555	0.5
685.58197	0.4
711.20905	0.5
719.21381	1.5
725.23608	0.4
743.23938	20.4
744.23975	2.2
778.22839	0.4
789.25928	2.2
867.25488	2.1
899.28143	3.9
900.29150	0.5
919.28772	1.6
951.31500	4.6
952.32391	0.6
969.32611	5.1
970.33386	0.7
1099.34741	2.8
1131.37646	16.5
1132.37463	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	1123.49
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95774	47.1
79.95638	0.4
80.88637	0.3
80.96393	0.9
81.49147	0.3
96.95884	0.3
96.96847	4.4
119.93350	0.3
121.57708	0.3
150.97911	0.8
152.99490	54.7
153.99875	0.5
171.00552	15.0
191.05554	0.7
227.03189	3.2
245.04285	71.2
246.04686	1.3
253.21707	34.0
254.21989	1.7
269.77853	0.3
481.25714	100.0
482.26022	7.8
521.80542	0.3
709.39008	0.6
795.23260	1.2
895.45227	0.5
930.48608	0.3
1091.46619	0.4
1123.48901	23.8
1124.49036	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	1127.4344
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95782	1.1
81.03300	0.4
85.02819	8.8
85.03296	0.7
87.00740	3.5
89.02346	0.5
93.03335	13.9
95.01307	0.4
96.95931	0.5
98.20656	0.8
99.04373	0.5
107.04926	0.7
108.02053	2.4
109.02860	2.7
111.00759	0.8
111.04417	1.6
121.02854	2.5
122.03654	1.3
122.38412	0.4
124.01556	5.6
125.02376	2.9
126.03110	1.2
127.03909	2.6
132.02081	1.7
133.02843	3.5
134.03638	6.3
135.04411	85.4
136.04709	2.3
137.02347	2.9
145.02815	0.6
146.03606	0.6
150.03185	2.7
151.03914	9.8
152.04326	0.8
159.04378	0.6
160.01532	3.4
161.02367	2.9
162.03017	0.6
163.03979	1.1
165.01796	0.6
171.02904	0.6
172.05234	1.1
173.04486	6.9
173.05881	0.6
174.03195	1.1
175.03894	0.6
176.74345	0.4
177.01871	1.0
178.02655	1.5
179.03412	18.8
180.03932	0.7
186.06743	0.6
187.03923	0.6
187.07568	0.8
189.05521	0.9
191.05533	100.0
192.05878	2.4
194.02182	0.8
197.05959	0.6
198.06749	0.5
199.03961	1.1
200.04739	1.5
201.05507	0.8
202.02670	0.5
202.06146	0.5
211.13121	0.5
213.05634	0.6
215.05385	0.8
215.07230	0.9
227.03467	1.4
228.04219	2.8
233.08113	0.9
248.54343	0.4
281.15469	0.7
283.13480	1.9
299.16418	1.3
301.14374	1.2
307.08185	3.0
308.09027	5.2
309.14905	4.7
310.15082	0.5
311.13016	0.7
315.12491	0.5
325.14435	2.1
327.16031	7.4
329.14041	2.2
343.15445	4.6
345.17166	1.5
351.07166	2.6
352.08005	15.7
353.09448	0.8
353.13913	6.9
371.14966	69.7
372.15240	5.2
389.16074	1.0
526.29871	0.5
545.20264	5.4
546.20294	0.8
563.21301	64.4
564.21582	6.6
573.14087	0.5
706.97351	0.6
935.37012	0.6
954.31628	0.5
1109.49683	2.6
1110.43994	0.5
1127.46338	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	1123.4374
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95800	1.1
79.95597	0.7
80.96384	1.2
81.03336	0.8
83.04897	0.7
85.02809	3.5
87.00756	3.0
89.02318	2.8
93.03332	11.1
95.01261	37.1
95.04917	0.6
96.01587	1.0
96.95860	1.3
97.02850	2.3
99.00759	0.8
101.02325	26.0
108.02050	1.9
109.02818	1.0
111.04404	0.8
113.02319	1.9
116.92776	0.7
119.03400	1.8
119.04920	1.4
121.02829	6.3
122.03635	5.4
123.00778	1.5
123.04406	19.2
124.01553	1.5
125.02323	1.6
127.03909	2.2
131.03406	0.7
133.02849	2.9
134.03629	3.3
135.04422	14.8
136.01552	1.3
136.44237	0.6
137.02370	1.0
145.02907	1.3
146.03600	1.0
147.04446	1.1
149.02341	10.8
149.05991	1.3
150.03128	30.6
151.00240	0.9
151.03957	4.5
155.03404	100.0
155.10649	1.1
156.03772	2.3
161.02391	0.8
162.03113	1.0
163.03943	0.9
164.04744	1.2
165.05479	20.1
166.05859	0.8
173.04478	3.8
175.03856	1.1
176.79909	0.6
177.05479	1.0
179.03400	3.5
179.05542	0.7
179.07022	1.0
180.04210	1.9
181.05000	1.0
191.03769	1.1
191.05530	22.1
192.05983	1.4
195.06554	6.9
284.03125	0.8
285.04053	1.2
307.08194	1.4
308.09036	2.1
311.12952	0.7
324.60025	0.7
327.22122	0.7
329.13864	0.7
351.45160	0.7
352.08026	6.9
353.08463	1.2
447.09537	0.6
449.14600	5.5
450.14819	1.0
463.12131	0.6
499.12036	0.6
499.19617	2.3
545.20380	0.7
563.21265	1.0
615.25684	1.4
647.24817	4.8
659.24518	0.8
663.26996	0.8
695.27527	2.3
699.27948	2.2
701.25836	0.8
717.29395	1.4
731.28589	3.1
749.29144	0.9
763.31000	2.0
795.30212	4.9
811.33142	1.9
825.31036	1.6
841.34503	0.9
843.32813	4.9
844.32739	1.0
847.33539	2.0
859.34979	2.4
873.34619	0.9
874.34674	0.9
877.33759	1.0
879.34399	11.4
880.34174	1.6
891.34155	3.0
909.36072	1.9
927.36707	2.5
931.43707	0.9
933.34637	1.4
1027.39612	11.6
1028.40369	2.2
1039.40320	1.3
1057.40942	3.8
1058.41797	1.0
1075.41638	10.6
1076.41858	2.1
1087.41675	1.7
1105.43445	3.9
1123.44043	6.5
1124.43396	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1101.7095
Annotation	Unknow
Peak:m/z	Relative Intensity
77.07958	0.2
78.95773	6.5
79.95609	0.4
80.96401	0.9
94.97947	0.2
96.95885	1.1
96.96842	0.2
99.61436	0.1
107.61151	0.1
122.98380	0.2
135.28908	0.1
152.99493	2.1
164.98619	0.2
168.04225	1.6
171.00548	0.2
191.05545	0.3
224.06885	1.0
225.00667	0.5
242.07954	2.0
245.04262	0.5
248.36911	0.2
281.24838	100.0
282.25186	6.8
442.40756	0.1
481.25519	0.6
482.26282	0.2
506.32480	74.2
507.32816	6.9
521.28790	0.6
580.36243	3.8
581.18219	0.2
581.36517	0.6
1060.97058	0.2
1101.49060	1.8
1102.49707	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1113.3457
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03323	0.6
83.04894	0.5
83.64931	0.2
85.02815	5.5
85.03294	0.4
87.00751	2.9
93.03332	12.4
94.03678	0.3
95.01311	0.2
97.63287	0.2
109.02834	0.8
111.04408	1.7
114.69138	0.2
127.03902	1.9
133.02823	1.3
134.03613	0.6
135.04417	9.8
135.05450	0.5
136.04689	0.3
146.36024	0.2
153.01826	0.3
155.03375	0.4
161.02353	3.8
171.02927	0.5
173.04465	3.7
179.03413	8.4
182.12454	0.2
186.11852	0.2
190.16681	0.2
191.05533	100.0
192.05878	3.6
230.78403	0.2
236.05084	0.2
268.03772	1.6
268.87830	0.2
269.04398	0.9
285.04059	0.4
353.08762	10.0
354.09064	0.5
431.09836	1.6
432.09851	0.5
507.18362	0.5
681.23962	55.1
682.24237	8.3
929.99017	0.2
1113.37195	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1085.6023
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00300	0.1
78.95773	58.6
96.96837	6.8
150.96710	0.1
150.97920	2.1
152.99483	100.0
153.99814	1.2
171.00554	3.9
171.02092	0.1
191.05632	0.2
277.21744	0.8
393.29297	0.1
431.21997	39.9
432.22354	2.8
433.22839	0.2
451.99335	0.1
454.88739	0.1
908.92072	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1101.4927
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95774	0.8
78.98463	3.3
79.95603	12.7
80.96388	35.6
81.03337	0.4
85.02818	2.7
87.00751	1.4
93.03310	1.3
94.97958	8.0
96.95879	0.6
97.02808	0.9
99.04398	0.5
101.02337	1.2
106.97965	1.7
111.04430	0.4
122.97484	1.9
125.02335	1.9
127.03922	0.7
134.97467	4.0
136.99008	1.0
148.99049	3.9
152.98526	4.2
152.99564	0.4
161.04405	0.3
164.98531	11.5
167.00104	0.5
172.05150	0.5
179.00052	0.4
182.99498	0.3
191.05524	7.4
199.03926	1.4
200.04730	0.4
206.99600	2.5
225.00694	22.0
226.01018	0.4
227.03412	0.9
228.04210	0.7
255.23308	3.1
283.04926	1.4
283.13345	2.4
301.14368	0.3
309.14917	0.4
311.12946	0.4
325.14349	0.3
327.15906	1.1
329.13882	0.4
341.05270	0.5
353.13837	1.4
355.07220	0.6
371.15158	0.8
411.13071	0.5
427.17294	0.4
445.18338	0.3
483.27441	1.8
535.23724	0.3
537.27490	1.6
583.38910	0.3
609.29285	0.9
623.31024	0.6
627.21155	0.4
653.18921	1.0
679.37524	0.7
683.41022	0.9
883.45831	0.6
891.41840	0.5
909.43207	5.8
910.43042	0.7
1083.48938	0.9
1101.49390	100.0
1102.49585	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	1085.4803
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03333	0.4
83.01269	0.4
83.04911	0.8
85.02821	3.9
87.00773	0.2
89.02313	1.6
93.03328	1.2
95.01255	3.7
95.04912	1.0
96.95888	0.7
97.02809	0.7
97.06463	2.7
101.02321	13.7
108.02069	0.2
109.02802	0.3
109.06485	0.2
111.04428	0.3
113.02328	2.2
119.03405	0.9
121.02831	1.0
123.00759	0.2
123.04406	7.0
123.08038	0.3
125.09606	0.8
127.03904	0.2
127.11162	1.4
131.03343	0.2
133.02905	0.3
135.04407	0.5
136.83397	0.2
137.02298	0.4
137.09613	0.5
143.03433	0.8
147.04449	0.2
149.02357	0.5
151.03841	0.2
153.09108	0.2
155.03401	12.9
155.10661	0.5
155.14316	0.6
156.03755	0.5
161.02423	0.2
161.04451	2.6
163.11188	0.3
165.01793	0.2
165.09149	0.2
165.12759	1.1
167.10686	0.4
167.14316	0.7
169.04964	0.6
171.10172	8.7
172.10542	0.3
173.04478	0.3
175.03886	0.3
177.12791	1.3
179.03409	0.3
179.05556	0.8
181.05019	0.9
181.06355	0.2
181.12260	0.2
183.13829	3.6
185.11740	1.2
191.05537	3.3
193.12247	1.4
195.13857	0.2
197.04523	0.7
197.11749	0.6
199.13258	0.3
201.15147	0.2
203.10680	0.8
207.06427	0.2
209.11781	1.8
211.13332	20.1
212.13617	0.8
221.11786	3.5
225.07616	2.9
226.07866	0.2
227.05518	0.4
227.12874	0.3
229.14404	13.2
230.14709	0.5
239.12874	2.1
247.20621	0.4
257.06662	0.2
273.18491	0.2
285.04001	0.5
291.19632	3.0
309.09787	0.7
309.20740	0.5
317.08749	1.8
327.21744	100.0
328.22079	5.7
387.12805	0.2
422.36987	0.2
471.15070	6.4
472.15369	0.5
489.16016	1.5
490.16586	0.2
525.16248	1.1
532.26428	0.2
595.20142	3.0
596.21002	0.3
749.71973	0.2
757.25775	1.8
758.25977	0.3
893.35681	0.2
907.81085	0.2
1084.65698	0.2
1085.43250	0.3
1097.33118	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1071.3405
Annotation	Unknow
Peak:m/z	Relative Intensity
77.18134	1.0
77.58282	1.2
83.01300	1.4
85.02823	8.4
87.00774	3.1
89.02311	33.8
89.76359	1.0
90.03817	1.5
93.03337	8.4
94.53651	1.1
95.01264	3.7
97.02822	36.3
101.02323	19.7
113.02315	15.0
119.03362	11.2
119.04942	1.6
121.02829	5.8
121.06528	1.7
123.04419	13.1
124.30141	1.1
131.03386	1.7
143.03387	3.9
147.04410	1.4
149.02347	5.4
149.04782	1.9
149.05971	14.2
161.04482	3.8
167.07068	1.9
179.05522	15.2
193.04984	25.1
341.10858	100.0
342.11243	4.1
355.10257	8.5
373.06564	1.5
373.11356	34.1
411.11423	3.3
465.12424	16.0
517.15680	4.0
535.16693	44.4
536.17114	3.9
573.10785	1.3
697.21893	78.1
698.21973	8.3
928.26538	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	1059.5164
Annotation	Unknow
Peak:m/z	Relative Intensity
75.34897	0.3
77.03822	0.4
78.95780	2.8
81.03330	1.8
83.04886	1.9
85.02822	5.7
87.00744	8.3
87.01278	0.5
89.03840	0.6
93.03333	55.7
94.03666	0.9
95.01264	0.4
95.04930	0.8
96.28642	0.3
96.96825	0.4
99.00731	0.8
105.03333	2.0
107.04908	0.4
108.02058	1.0
109.02846	3.0
111.00787	0.4
111.04396	5.7
113.02306	0.4
121.02839	1.3
124.01509	2.1
125.02319	1.2
127.03889	1.2
129.01810	1.0
132.02104	1.9
133.02847	17.5
134.03645	5.3
135.04410	45.5
136.04744	1.0
137.02313	2.3
139.03867	0.7
143.03358	0.5
149.02351	0.7
150.03122	1.7
151.03905	4.0
152.04280	0.4
152.64458	0.4
152.99516	2.5
155.03410	2.2
159.04448	0.3
160.01585	2.0
161.02379	3.1
163.04007	0.5
171.02863	0.5
172.05148	0.5
173.04471	11.9
177.01852	4.7
178.02626	3.3
179.03424	10.5
187.03745	0.4
191.05531	42.9
192.05966	1.3
210.49252	0.4
211.13358	0.5
215.05582	3.3
255.23203	0.6
277.21774	1.4
283.13431	0.6
284.09546	0.4
307.08255	1.2
308.08881	1.8
309.14923	0.5
311.12943	0.3
321.99139	0.4
325.14380	0.5
327.16025	1.3
351.07233	7.5
352.08029	1.2
353.13843	2.0
371.15057	1.0
555.28613	0.4
607.23810	0.8
667.13196	0.4
823.46124	0.7
841.47668	0.6
849.43982	1.0
867.28265	0.7
867.45258	15.0
868.45776	2.3
885.46558	1.8
1027.47009	0.9
1041.51599	2.1
1059.51587	100.0
1060.52026	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	1065.3978
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95777	1.2
83.04910	0.9
85.02849	3.0
87.00767	1.3
89.02324	0.9
93.03332	10.6
95.01303	2.2
95.04941	1.1
97.02819	0.8
98.19765	0.7
101.02302	1.2
107.04915	1.3
108.02070	1.6
109.02825	5.3
111.04414	1.2
116.89025	0.8
120.92355	0.7
121.02838	8.5
121.06484	1.2
122.03628	12.5
123.00738	4.3
123.04423	2.3
124.01537	2.0
127.03886	0.7
132.02051	0.8
133.02841	2.2
134.03622	1.7
135.00780	0.8
135.04419	7.1
136.01537	9.5
136.04764	0.8
137.02341	35.7
138.03143	5.7
139.00209	1.3
139.03918	1.4
141.44209	0.8
145.02858	1.5
146.03651	2.5
147.04413	1.5
148.01550	1.6
149.02351	24.3
149.06004	3.2
150.03130	74.2
151.00281	18.6
151.03929	16.4
152.01035	2.6
152.04688	2.1
153.01820	3.1
153.05464	3.6
155.03412	1.0
159.04424	1.3
161.02347	1.1
162.03094	3.9
163.00296	1.2
163.03925	2.0
164.01053	2.5
164.04726	7.0
165.01843	100.0
165.05476	60.8
166.02634	37.4
166.05830	2.3
167.03400	4.9
168.04193	10.5
173.02318	0.9
173.04489	3.3
173.05968	1.1
174.03226	0.8
175.03896	4.0
176.01077	2.5
176.04709	0.8
177.01842	6.0
177.05479	4.8
178.02625	2.9
179.01857	1.6
179.03426	25.6
179.06999	7.3
180.04195	56.9
181.04973	59.0
182.05388	1.2
184.03659	1.7
187.03964	1.9
190.06290	1.4
191.03482	3.2
191.05539	17.7
191.06992	0.9
192.04198	4.4
192.05795	1.2
193.04938	4.2
194.05727	7.4
195.02905	4.4
195.06549	94.3
196.06911	4.0
203.03406	1.3
204.04117	0.8
205.05011	8.5
205.08600	1.0
206.05679	0.8
207.06583	7.5
208.03731	1.0
209.04495	0.9
209.08177	3.6
209.11775	2.4
210.05281	10.6
211.05823	0.9
215.07103	1.0
219.06558	2.1
220.07339	3.2
221.08148	1.5
223.06068	3.8
225.07626	54.5
226.08009	1.7
227.12978	1.3
281.04568	1.1
282.05405	1.2
285.04056	1.3
285.07446	0.8
308.09134	1.0
314.07938	1.1
315.08636	2.5
329.10223	2.1
330.10941	1.3
343.11926	1.0
352.07965	2.7
355.11761	0.8
356.12708	0.8
358.10352	1.4
359.11438	1.5
371.11240	0.9
372.12122	1.2
373.12955	7.9
385.12744	1.0
386.13623	1.0
387.10214	5.4
387.15317	3.8
388.11459	2.7
389.11615	0.7
402.13318	4.7
403.13974	32.9
404.14282	3.3
416.14594	2.3
417.15540	27.9
417.21204	1.3
418.15680	2.6
421.14847	3.1
421.56198	0.7
433.15070	9.1
449.14365	3.2
451.16068	20.6
452.16519	1.2
455.48572	0.7
461.18085	0.8
505.14578	0.8
535.15448	3.5
550.18262	1.6
565.20770	39.8
566.21063	4.2
581.19916	0.9
583.22345	1.3
594.20966	1.4
595.21820	21.3
596.22174	2.7
599.21075	1.6
613.22919	20.9
614.22876	2.7
625.22888	4.0
629.22058	1.5
642.24402	0.7
643.24054	5.0
644.24744	1.5
683.50592	0.8
743.27185	4.6
773.28156	3.3
791.29156	4.6
792.29639	0.8
803.29187	1.0
821.30267	3.9
839.31049	4.9
840.31439	1.1
869.32111	1.1
969.35095	1.6
999.36127	2.0
1000.36255	1.0
1017.37164	2.8
1047.39441	1.3
1065.39478	2.9
1066.39941	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	1059.4654
Annotation	Unknow
Peak:m/z	Relative Intensity
83.04903	0.4
85.02824	2.3
87.00762	0.7
87.04391	6.6
88.53603	0.4
93.03327	2.8
95.01285	0.5
95.04914	0.3
97.02815	1.6
97.06465	0.6
99.04377	0.6
101.02321	1.4
102.19336	0.4
106.18253	0.3
109.02861	0.4
109.06421	0.6
111.04398	0.9
111.08035	0.8
113.02302	0.7
114.34389	0.3
121.02842	2.1
122.03625	6.1
123.04377	0.9
123.08042	0.4
124.01536	0.4
125.02327	0.5
125.05954	1.1
127.07594	0.4
133.02852	0.6
134.62265	0.3
135.04335	0.3
135.08029	1.3
136.01520	0.6
137.02321	0.4
137.06013	0.8
137.09619	5.9
138.09955	0.5
139.07579	1.8
139.11176	0.3
141.09161	0.5
149.02357	2.2
150.03127	43.6
151.03883	2.6
151.11197	1.1
155.10681	27.3
156.11067	0.6
163.11226	0.7
165.05479	62.4
166.05846	2.3
167.10701	0.8
169.12228	1.7
173.04459	0.4
177.09013	0.4
177.54640	0.3
179.10704	3.3
181.08623	2.7
181.12195	0.4
191.05592	1.7
191.10712	2.4
193.12170	0.4
195.10226	1.9
197.11700	0.4
199.05931	0.5
199.09689	14.6
213.07629	3.5
213.11240	1.2
223.09789	0.8
227.12836	0.4
237.11281	0.6
241.10808	4.9
253.10779	1.4
255.12407	2.0
269.04584	2.7
283.11829	7.2
325.03369	0.4
343.13977	8.9
408.26962	0.3
424.71036	0.3
449.14685	0.6
481.17209	1.4
556.21570	0.5
557.22363	100.0
558.22748	8.0
577.15894	0.5
849.23517	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1041.4554
Annotation	Unknow
Peak:m/z	Relative Intensity
75.75783	0.6
77.03806	0.6
78.95773	2.3
81.03334	2.9
83.04893	2.3
85.02822	14.5
87.00753	14.1
93.03336	69.7
94.03651	1.7
95.01292	1.1
95.04882	2.0
99.00760	1.6
99.04373	1.3
104.91589	0.6
105.03350	4.1
107.04870	1.1
108.02037	1.2
109.02838	6.1
111.00741	0.7
111.04402	7.8
113.02312	1.2
113.04002	0.6
115.03880	0.8
121.02837	2.5
123.00833	0.8
123.04416	1.4
124.01563	3.2
125.02338	2.0
126.03124	0.8
127.03914	3.1
129.01799	1.2
132.02057	3.8
133.02855	36.0
134.03667	7.2
135.04414	67.1
136.04741	1.4
137.02319	4.6
139.03915	2.0
145.02913	0.8
149.02380	1.8
150.03133	3.3
151.02835	0.7
151.03943	6.6
155.03374	2.3
160.01587	3.6
161.02333	9.4
163.03864	0.9
171.02878	1.1
173.04483	15.6
177.01842	8.2
178.02583	4.5
179.03418	13.9
180.03812	0.7
189.05511	1.0
191.05537	100.0
192.05856	3.9
209.11798	4.0
211.13370	2.0
215.05573	5.4
227.03598	0.8
273.61630	0.7
281.42096	0.6
283.13284	1.1
284.03113	0.7
299.16577	0.7
301.14490	0.6
307.08289	1.4
308.09097	2.5
309.14972	1.6
325.14374	0.9
327.12622	0.6
327.16022	3.3
327.19534	0.6
345.16788	0.7
351.07166	12.3
352.07806	1.9
353.08350	0.7
353.13843	2.7
371.14838	0.7
607.23724	1.0
773.36792	0.8
791.38586	0.8
799.35822	1.2
817.36572	19.7
818.36475	1.7
835.37872	2.2
849.39252	8.8
850.39197	1.3
867.39691	1.1
991.43689	0.7
1009.42859	44.2
1010.43011	9.4
1023.44489	0.7
1041.45520	97.7
1042.45776	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	1041.4544
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99192	0.5
73.02818	0.5
74.87985	0.2
78.95785	0.4
79.83122	0.3
81.03329	0.8
83.01264	0.6
83.04901	1.1
85.02822	16.4
86.03136	0.3
86.40442	0.3
87.00750	4.0
89.02322	0.5
93.03334	9.0
94.02805	0.3
95.01274	0.8
96.95884	0.7
99.04408	0.6
101.02323	0.9
108.02040	0.3
109.02840	1.6
111.04395	1.9
113.02320	0.6
121.02795	0.5
125.02328	0.6
127.03909	4.3
133.02858	0.6
135.04448	0.9
136.01523	0.3
137.02324	0.9
146.03621	0.5
149.02357	0.7
150.03127	2.1
151.03934	0.5
152.35484	0.3
155.03372	0.8
158.03726	0.6
159.04408	1.2
160.05246	0.4
161.02370	0.5
163.11273	0.4
165.05565	2.0
165.12700	0.3
166.02684	0.4
171.03011	1.3
171.04337	0.5
172.05183	2.5
173.02240	0.3
173.04466	2.6
173.05867	0.5
174.03108	1.4
179.03363	0.3
181.04878	0.3
183.04390	0.5
184.05270	0.3
185.06068	0.6
187.03941	0.8
191.05537	100.0
192.05861	2.9
195.06543	1.5
197.06078	0.5
198.06801	0.6
199.03932	4.9
200.04716	2.0
201.05420	0.4
202.06245	0.4
204.04201	0.6
209.11731	3.7
211.03941	0.8
213.05446	0.4
214.06355	0.3
227.03445	12.6
228.04201	6.1
229.04691	0.3
246.05328	0.3
255.02916	0.3
255.13910	0.5
267.13901	0.4
281.15512	1.0
283.13388	14.0
284.13785	1.1
285.03976	0.5
285.14725	0.3
301.14459	3.2
309.14969	5.9
310.15259	0.4
311.12881	4.9
311.16513	0.5
312.13345	0.4
325.14355	1.8
327.12302	0.9
327.16037	3.6
327.97391	0.3
329.14035	1.6
335.12836	0.4
343.11890	0.3
343.15619	0.4
353.13934	13.4
354.14203	1.2
367.11841	0.4
371.14929	3.5
372.15198	0.3
427.17575	0.3
563.21429	0.4
565.21863	0.6
589.23395	0.6
607.23956	3.2
608.23199	0.3
613.22577	0.4
706.44611	0.3
734.25360	0.3
773.33942	2.9
775.35474	1.7
776.36096	0.4
789.37457	0.5
791.38684	0.9
799.35742	1.2
817.36493	50.5
818.36859	9.4
835.37048	2.0
836.38318	0.5
849.39178	14.1
850.39392	2.5
867.40350	1.2
965.35797	0.4
991.42346	1.9
992.42126	0.5
1009.42914	4.8
1010.42993	1.0
1023.44263	2.4
1024.44666	0.5
1041.45691	9.2
1042.46289	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	1039.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01258	0.4
92.25795	0.1
101.78162	0.1
107.01262	1.0
117.03335	0.8
121.02777	0.2
132.02020	0.1
134.03635	0.1
134.34943	0.1
138.40326	0.1
148.01572	0.3
149.02341	0.9
149.99492	0.4
151.00273	1.9
159.04370	0.2
161.02380	0.2
167.04922	0.1
169.01360	0.2
171.04453	0.5
172.05147	0.4
183.04478	0.3
191.05640	0.2
195.04364	0.3
196.05217	0.4
198.03195	0.1
199.03862	0.3
200.04770	0.4
201.05429	0.3
211.03955	0.9
212.04736	0.6
213.05115	0.1
223.03931	0.1
225.05394	0.2
227.03426	0.3
239.03464	1.9
240.04228	2.7
241.04797	0.2
255.02965	9.7
256.03613	1.0
267.02982	1.3
268.03748	64.7
269.04465	21.9
270.04803	1.0
281.04535	0.4
283.02481	3.7
283.06049	0.5
284.03250	19.6
285.03818	2.3
297.04016	2.7
298.04810	2.3
299.05597	23.3
300.05981	1.6
311.05484	0.9
323.05624	0.2
339.04968	0.1
341.06717	0.4
400.65503	0.1
431.09796	100.0
432.10153	8.5
443.09641	0.3
524.20483	0.1
607.16656	45.0
608.17023	5.2
739.54419	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1040.5364
Annotation	Unknow
Peak:m/z	Relative Intensity
77.12576	1.2
78.95775	67.0
82.71010	1.5
85.02818	16.4
87.00751	4.2
93.03337	7.4
96.96795	3.0
106.88340	1.2
111.04395	1.5
116.71155	1.3
122.98395	9.3
127.03880	2.0
134.98488	1.3
135.04384	1.5
152.99472	18.2
160.05150	1.7
162.14020	1.3
168.04193	3.7
171.02954	1.5
172.05150	4.1
173.04495	2.9
174.03177	2.5
187.03931	2.6
191.05533	68.3
192.05785	1.6
197.06042	2.5
199.03983	7.8
200.04640	2.1
224.06876	3.9
227.03415	15.6
228.04201	5.4
255.23276	38.4
256.23602	3.1
283.13373	20.3
297.15009	1.5
301.14389	4.5
309.15036	12.5
311.12863	5.9
325.14343	2.7
327.12405	2.4
327.16037	5.8
329.13806	5.8
329.90829	1.5
335.12854	3.8
343.15546	1.4
353.13901	15.4
367.15659	1.5
371.14917	12.9
385.16400	3.3
391.22369	1.9
397.16803	1.4
397.23022	1.4
423.25711	1.5
433.10376	1.7
696.32910	1.6
789.39917	7.4
834.45685	30.8
835.44806	6.4
848.47485	5.8
981.46600	13.8
982.46198	1.7
1022.51624	2.4
1040.53564	100.0
1041.54138	24.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1041.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
73.99564	0.1
77.80211	0.1
83.01240	0.6
85.02874	0.1
98.19846	0.3
105.03349	0.1
107.01283	0.9
109.02841	0.3
115.41309	0.1
120.36456	0.1
121.02846	0.2
125.02327	0.1
132.02007	0.2
133.02841	2.8
134.03612	0.5
135.04349	0.1
143.04904	0.1
148.01549	0.1
149.02341	1.0
149.99486	0.1
151.00269	3.0
164.28336	0.1
169.01353	0.2
171.04401	0.2
173.05959	0.2
174.03156	0.1
175.03934	1.2
177.01881	0.3
183.04440	0.1
185.05983	0.3
187.03899	0.3
188.10356	0.1
191.05434	0.2
197.05978	0.3
198.03206	0.2
199.03952	1.6
200.04591	0.3
201.01863	0.5
211.03906	0.6
212.04672	0.4
213.05481	0.4
215.03456	0.4
216.04338	0.2
217.05048	0.8
224.04799	0.1
227.03481	0.8
228.04034	0.2
239.03401	0.3
241.05045	0.6
243.02943	0.5
255.03011	0.7
256.03757	2.6
257.04395	0.3
267.02948	0.2
283.02469	0.6
284.03250	51.3
285.04007	87.5
286.01178	0.3
286.04376	6.0
292.69748	0.1
297.03976	0.3
298.04852	0.3
309.04163	0.4
327.05029	1.4
357.06174	0.3
429.08112	0.6
435.55502	0.2
447.09290	28.0
448.09631	2.4
593.15070	100.0
594.15405	11.2
594.29285	0.2
630.07025	0.1
866.81409	0.1
1026.18469	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1037.4025
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95785	0.5
83.88503	0.3
85.02832	1.0
86.51000	0.3
91.37616	0.3
93.03337	7.3
95.01273	0.9
95.04909	0.6
96.95906	1.2
105.03355	0.5
108.02074	0.8
109.02820	2.3
111.00820	0.5
117.03379	0.6
121.02846	7.0
122.03635	16.8
123.00813	1.7
123.04504	1.9
124.01568	1.3
125.02378	0.6
127.03929	0.6
132.02083	1.1
133.02850	3.0
134.03635	2.1
135.04449	2.0
136.01564	7.9
137.02351	10.5
137.82051	0.4
138.03152	2.6
139.03905	0.9
145.02843	3.2
146.03658	2.4
147.04422	3.5
148.01569	0.5
149.02354	29.3
149.05977	2.6
150.03136	100.0
151.00317	2.4
151.03938	14.4
152.04573	0.4
153.01830	0.9
153.05461	0.9
155.03369	0.5
159.04315	0.3
160.01563	0.7
161.02400	1.9
161.06000	1.0
162.03140	3.9
163.03938	3.9
164.01068	1.1
164.04733	6.7
165.01852	37.8
165.05487	90.7
166.02623	5.7
166.05826	3.7
167.03407	0.9
168.04167	1.2
173.02310	0.7
173.04530	0.8
174.03111	2.3
175.03922	6.3
176.04755	2.9
177.01901	1.2
177.05490	5.8
178.06229	0.6
179.03433	9.2
179.07054	4.7
180.04205	31.2
181.04991	12.1
182.05319	0.8
184.03569	0.4
188.04712	2.3
189.05524	3.2
190.06281	8.0
190.07857	0.7
191.03461	2.0
191.05530	6.7
191.07092	5.0
192.04216	1.6
192.05843	0.6
192.07596	0.6
193.04991	5.1
194.05771	7.1
195.06561	78.5
196.06871	2.9
203.07100	1.7
205.05042	1.0
205.08624	7.9
206.05782	2.0
206.08978	0.8
207.06558	6.6
208.07379	3.2
209.04509	0.7
209.08118	1.6
210.05275	3.8
211.05840	0.4
221.08167	1.1
222.08832	0.4
223.09755	0.7
225.07637	19.6
226.08043	1.1
253.05019	0.5
258.09058	0.4
265.04965	0.5
266.05630	0.4
268.07358	0.6
270.08923	1.0
282.05362	0.5
283.09894	0.4
285.07712	0.8
285.11319	1.0
286.08481	0.6
295.09796	0.4
296.07037	0.4
297.07578	0.6
298.08582	1.1
299.09253	1.7
300.10031	0.6
309.07407	0.5
310.08261	0.6
311.09183	0.9
312.06274	0.7
313.07202	0.7
313.10760	0.9
314.07840	1.4
322.07867	0.4
324.10074	0.7
325.10480	0.9
326.08005	0.7
326.11707	0.6
327.08789	1.4
328.09351	1.0
328.12946	0.8
329.10254	4.0
329.13763	0.5
339.08731	0.9
340.09122	1.0
341.10254	4.3
342.10800	1.2
342.52420	0.4
343.11841	2.9
344.12607	5.5
345.13202	1.1
353.08615	0.6
355.11526	0.8
356.12503	1.9
357.13507	1.7
358.13895	1.1
359.15018	9.4
360.15311	0.6
366.95782	0.4
369.13208	1.7
370.13730	1.3
371.14978	5.4
373.12894	11.5
374.13513	2.5
375.14444	2.2
387.14587	1.0
389.16055	25.5
390.16599	1.9
403.14044	3.1
404.14453	0.7
405.15656	0.6
419.17206	2.5
421.15036	10.5
422.15302	1.1
449.14328	0.8
451.16055	1.8
452.16754	0.4
477.15253	0.6
492.17819	1.5
504.18417	0.5
506.16193	0.5
507.20004	0.6
519.20624	0.6
522.18616	0.8
523.19360	0.5
524.16919	0.4
536.20319	0.9
537.21350	19.3
538.21851	2.6
565.20526	0.6
566.21082	1.1
567.22375	15.6
568.22760	1.3
582.21094	0.5
585.14398	0.8
585.23401	12.4
586.23639	1.4
596.22400	0.6
597.23145	5.3
598.23547	0.9
599.21320	2.9
600.22015	0.9
613.23108	0.9
614.23468	1.3
615.24408	14.3
616.25110	1.9
627.23914	0.8
644.24548	0.6
645.25336	3.5
647.23193	0.5
657.25708	0.4
699.27350	0.5
745.28564	4.5
746.28467	0.9
763.29675	1.1
775.29370	2.4
793.30737	10.5
794.30908	1.6
805.29462	0.4
811.30994	0.6
823.31476	3.1
824.32050	0.6
839.32025	0.5
841.32855	5.0
842.32874	1.0
941.35730	2.4
942.36206	0.7
971.36969	1.9
989.38043	2.6
1019.37653	0.7
1037.39331	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	1035.3865
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03380	0.5
85.02859	0.7
93.03334	6.3
95.01263	1.2
95.04911	0.7
96.95891	0.3
105.03342	0.7
107.04911	0.4
108.02062	1.3
109.02857	3.5
111.00795	0.4
121.02849	8.2
122.03626	16.0
123.00787	2.6
123.04395	1.5
124.01541	1.5
125.02370	0.7
132.02074	0.8
133.02829	2.9
134.03638	1.9
135.04442	2.8
136.01566	9.2
137.02341	15.8
137.05998	0.4
138.03140	2.9
139.00229	0.6
139.03889	1.1
145.02855	1.3
146.03609	2.1
147.00876	0.4
147.04411	1.1
148.01541	1.1
149.02348	37.0
149.05920	2.4
150.03128	100.0
151.00279	9.5
151.03925	14.7
152.01057	2.3
152.04701	2.2
153.01860	1.5
153.05469	1.5
154.02643	0.5
159.04457	0.8
161.02342	2.0
161.06012	0.9
162.03130	3.0
163.03940	1.7
164.01074	0.4
164.04712	8.9
165.01849	24.0
165.05481	83.8
166.02629	23.7
166.05745	2.8
167.03418	3.0
168.04189	2.4
173.02364	0.8
173.04510	0.6
174.03226	0.4
174.43561	0.3
175.03912	2.5
176.01060	0.7
176.04610	0.8
177.01871	2.9
177.05484	5.6
178.02611	1.3
179.03433	6.9
179.07045	6.1
180.04193	17.3
181.04980	29.5
182.05324	0.8
184.03673	1.5
187.03929	2.5
188.04613	0.6
189.01898	0.5
189.05524	0.5
190.02600	0.9
190.06271	1.0
191.03442	2.2
191.05525	4.5
192.04196	2.4
192.05841	0.6
193.04984	3.1
194.05775	1.9
195.06557	62.6
196.06885	2.0
198.05220	0.4
202.06313	0.7
203.03377	0.8
204.04216	0.9
205.04996	8.0
206.05774	1.0
207.06578	3.4
209.04486	1.0
209.08150	1.0
210.05283	1.9
211.06000	0.4
214.59209	0.3
219.06602	1.7
220.02078	0.3
220.07326	3.0
221.08041	0.9
223.06088	1.1
225.05428	0.8
225.07614	9.0
233.07942	0.4
235.09787	0.4
253.04930	0.9
254.05797	0.4
265.28534	0.4
266.05777	0.7
267.06448	0.5
282.05374	1.0
293.04272	0.4
296.07074	0.5
297.07639	1.1
299.09174	0.9
300.09879	0.9
307.05945	0.4
311.09238	0.6
314.08011	0.7
315.08737	1.3
315.26773	0.5
323.09216	0.5
325.07086	0.4
327.08755	0.7
328.09433	0.4
329.10269	1.3
341.10391	0.6
343.11853	3.5
354.11069	0.4
355.11990	0.5
358.10544	0.6
359.11218	1.0
371.11371	1.0
372.12158	1.3
373.12894	23.8
374.13049	1.0
386.13824	0.4
387.09927	2.2
387.15048	3.3
388.11386	1.0
399.14725	0.5
402.12985	2.8
403.13940	11.4
404.14395	0.7
415.14148	0.5
416.14587	1.2
417.15509	20.1
418.15762	1.6
421.15021	18.1
422.15408	1.0
471.17404	0.4
489.16779	0.4
507.16605	0.4
520.17352	0.5
535.16168	2.6
546.85809	0.4
547.19257	0.6
550.18140	1.9
551.19092	0.5
564.20001	0.8
565.20776	37.6
566.21100	3.4
577.20483	1.1
581.20105	0.4
583.21423	0.9
594.21179	0.4
595.21808	22.0
596.21960	2.0
599.21259	0.6
613.22913	16.6
614.23004	1.6
625.22638	0.5
643.23505	2.1
743.27490	2.8
744.27612	0.6
773.28485	1.9
791.29272	3.6
803.27740	0.5
821.29889	1.8
838.30292	0.4
839.30725	3.5
840.31396	0.9
939.34503	1.4
969.35828	2.4
970.36426	0.7
987.36279	1.0
1017.37311	0.6
1035.39282	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1031.4851
Annotation	Unknow
Peak:m/z	Relative Intensity
72.98534	0.8
78.95776	7.3
81.03309	1.5
83.04900	1.5
85.02818	9.5
86.17259	0.9
87.00750	11.0
88.77107	0.8
89.02318	1.1
93.03333	73.9
95.04926	1.3
99.00755	1.0
105.03330	3.8
108.02025	1.5
109.02834	3.3
109.84552	0.8
111.04385	6.5
113.02285	1.4
121.02849	3.2
124.01544	1.9
125.02298	1.4
126.76482	0.8
127.03892	3.0
129.01793	1.5
132.02077	2.7
133.02843	25.7
134.03664	4.9
135.04411	50.3
137.02316	4.0
149.02391	1.0
150.03146	1.2
151.03906	4.0
152.99493	3.6
155.03406	2.4
157.12949	0.8
160.01555	3.6
161.02367	5.9
171.02965	2.0
171.10258	1.2
173.04462	14.5
177.01840	7.2
178.02600	5.0
179.03392	9.8
191.05533	62.6
192.05821	1.7
195.13823	1.2
206.03584	0.9
209.11674	1.3
215.05579	4.5
249.18571	1.8
277.21759	2.8
295.22604	5.9
307.08606	1.2
308.09152	1.8
317.20920	3.6
327.15906	1.2
351.07095	7.8
352.07983	1.5
377.22968	3.0
397.13351	1.3
839.42230	15.4
840.42688	2.1
857.43323	1.8
1031.48584	100.0
1032.48828	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	1034.3507
Annotation	Unknow
Peak:m/z	Relative Intensity
77.19206	4.7
85.02841	13.5
93.03339	39.1
96.95909	4.9
98.53706	4.4
109.02845	6.1
121.02901	6.3
122.03618	5.4
130.51663	4.3
133.02885	7.8
135.04437	11.1
136.01590	7.8
137.02327	10.9
149.02258	11.7
149.05966	5.8
150.03175	29.0
151.00304	11.3
151.03877	8.8
153.01944	5.7
165.01866	24.5
165.05493	39.2
166.02415	9.0
167.03502	4.7
173.04478	17.9
177.05544	5.9
179.03410	12.6
180.04175	18.3
181.04916	20.2
191.05548	100.0
192.05923	7.1
195.06511	34.2
216.57616	4.5
223.66342	4.8
225.07646	11.1
226.07872	5.6
299.05554	9.7
314.08182	9.1
315.08411	5.2
329.10330	9.9
359.10583	5.3
390.41721	4.9
417.15338	7.4
449.13925	9.3
450.14355	6.3
467.15552	10.3
518.28461	4.9
549.67090	4.7
566.21173	6.2
613.22528	12.3
743.27313	7.0
761.28302	31.0
808.98944	4.7
809.30383	48.0
810.31049	11.0
884.28186	9.5
1034.35413	19.1
1035.37073	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	1034.3507
Annotation	Unknow
Peak:m/z	Relative Intensity
77.19206	4.7
85.02841	13.5
93.03339	39.1
96.95909	4.9
98.53706	4.4
109.02845	6.1
121.02901	6.3
122.03618	5.4
130.51663	4.3
133.02885	7.8
135.04437	11.1
136.01590	7.8
137.02327	10.9
149.02258	11.7
149.05966	5.8
150.03175	29.0
151.00304	11.3
151.03877	8.8
153.01944	5.7
165.01866	24.5
165.05493	39.2
166.02415	9.0
167.03502	4.7
173.04478	17.9
177.05544	5.9
179.03410	12.6
180.04175	18.3
181.04916	20.2
191.05548	100.0
192.05923	7.1
195.06511	34.2
216.57616	4.5
223.66342	4.8
225.07646	11.1
226.07872	5.6
299.05554	9.7
314.08182	9.1
315.08411	5.2
329.10330	9.9
359.10583	5.3
390.41721	4.9
417.15338	7.4
449.13925	9.3
450.14355	6.3
467.15552	10.3
518.28461	4.9
549.67090	4.7
566.21173	6.2
613.22528	12.3
743.27313	7.0
761.28302	31.0
808.98944	4.7
809.30383	48.0
810.31049	11.0
884.28186	9.5
1034.35413	19.1
1035.37073	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	1035.3867
Annotation	Unknow
Peak:m/z	Relative Intensity
77.15752	0.3
81.03356	0.3
85.02828	0.8
87.00743	0.5
93.03335	6.0
93.84016	0.2
95.01274	0.9
95.04903	0.6
105.03347	0.5
107.04929	0.7
108.02060	1.0
109.02836	2.9
111.00774	0.3
111.04369	0.3
119.04867	0.3
121.02837	8.1
122.03626	17.4
123.00764	1.9
123.04477	1.3
124.01549	0.9
125.02309	0.5
132.02031	0.3
133.02829	2.4
134.03590	0.9
135.04416	2.5
136.01559	6.7
137.02341	12.1
138.03148	2.4
139.00250	0.7
139.03868	0.8
145.02858	0.6
146.03633	1.5
147.00861	0.3
147.04372	0.8
148.01526	0.6
149.02344	29.3
149.05977	1.6
150.03123	100.0
151.00273	7.3
151.03926	10.0
152.01050	1.1
152.04715	1.2
153.01822	1.0
153.05447	1.0
154.02612	0.5
155.03374	0.3
159.04388	0.7
161.02330	1.4
161.05986	0.7
162.03130	2.1
163.03923	1.3
164.01048	0.8
164.04688	5.5
165.01843	24.5
165.05473	86.7
166.02621	17.6
166.05719	2.8
167.03365	2.2
168.04163	1.0
171.10124	0.5
173.04533	0.3
175.03888	1.6
176.01039	0.7
176.04636	0.7
177.01883	2.4
177.05473	3.8
178.02579	0.6
178.05742	0.3
179.03415	5.8
179.07028	4.9
180.04198	18.1
181.04976	21.9
182.05305	0.8
184.03664	0.7
187.03920	1.1
188.04739	0.5
189.05367	0.3
190.02617	0.7
190.06236	0.8
191.03476	0.8
191.05518	4.4
192.04181	1.5
192.05791	0.3
193.04915	1.9
194.05721	1.4
195.06549	82.5
196.06905	2.7
202.06232	0.4
204.04196	0.6
205.05000	4.0
205.08522	0.3
206.05579	0.5
207.06583	2.2
209.04509	0.4
209.08139	2.2
209.11682	0.4
210.05235	2.2
211.05989	0.5
211.21587	0.3
217.05229	0.3
219.06488	1.5
220.07343	2.0
221.08131	0.6
223.05981	0.3
225.07631	14.2
226.07970	0.8
237.05370	0.3
253.04997	0.3
255.06358	0.3
266.05722	0.4
282.05383	0.5
296.06570	0.3
297.07510	0.5
298.08484	0.3
299.09195	0.3
300.09796	0.3
314.07855	0.4
315.08624	0.7
325.07184	0.5
326.07541	0.4
327.08502	0.4
327.21567	0.8
328.09366	0.4
329.10239	0.8
339.08768	0.5
341.10095	0.3
343.11890	1.3
355.11829	0.7
356.12445	0.4
357.09515	0.6
357.13437	0.5
358.10327	0.5
359.11172	0.8
367.11731	0.4
368.12317	0.5
371.11133	0.5
372.12073	0.9
373.12872	10.0
374.13239	0.9
386.13715	0.4
387.09766	1.9
387.14874	5.2
388.11115	0.7
399.14136	0.4
401.12201	0.3
402.13110	2.2
403.13971	5.7
404.14355	0.4
416.14896	1.2
417.15518	20.2
418.15912	1.7
421.15012	9.6
422.15244	0.9
451.15936	0.4
507.16205	0.3
510.30124	0.3
517.15527	0.4
520.16992	0.4
535.15088	1.4
549.17389	0.4
550.18427	0.7
551.19122	0.5
563.20502	0.3
564.20551	1.5
565.20740	24.7
566.21100	2.9
577.20880	0.5
583.21863	0.7
594.21313	0.8
595.21857	13.2
596.22217	1.7
599.21185	0.9
612.22064	0.4
613.22870	14.8
614.23218	1.8
625.22876	0.5
643.23969	2.1
644.24078	0.5
649.23682	0.4
667.23383	0.4
697.24963	0.5
743.26868	4.2
744.27350	0.9
755.26105	0.3
773.27936	3.1
774.27942	0.4
791.29321	4.4
792.29065	1.0
803.28448	0.8
821.30273	2.1
839.31183	4.1
840.31635	0.7
939.33887	0.5
969.35016	0.8
987.36267	1.0
1017.38745	0.6
1035.37378	0.7
1066.26086	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1027.3664
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01252	3.1
71.51463	2.3
80.73982	1.0
85.02814	3.4
87.00739	1.7
93.02745	1.1
93.03315	6.8
101.02383	1.3
104.05094	1.1
104.40121	1.0
109.02843	2.8
111.04366	1.4
123.00748	2.1
127.03913	1.9
133.02858	3.8
135.04385	1.9
137.02347	13.5
151.00270	7.2
151.03845	1.9
152.00966	1.3
152.04674	1.9
154.02225	1.1
159.04498	1.5
161.42767	1.1
163.03902	1.2
164.01018	1.5
165.01839	61.6
165.05469	3.5
166.02603	17.1
167.03336	1.8
173.04488	2.1
177.01872	1.8
179.03401	12.9
180.04205	32.0
181.04980	26.0
187.03862	1.5
191.05545	31.2
192.05882	2.6
193.04811	1.3
194.05685	2.5
195.02876	2.1
195.06552	42.9
196.06894	2.2
205.04965	3.3
207.06479	1.8
210.05257	8.0
220.07286	3.6
225.07645	17.0
269.04633	8.3
284.03256	4.6
285.03979	8.8
353.08878	2.6
359.10995	1.7
387.10565	2.6
387.14914	1.8
402.13049	3.2
416.14645	2.0
417.15570	24.4
418.16141	1.6
447.09369	4.4
449.14951	1.7
551.19147	1.2
563.13922	1.7
579.13684	3.5
579.30383	1.3
580.19562	2.1
594.95251	1.5
595.21820	25.7
596.22180	2.5
636.58734	1.3
643.23938	100.0
644.24329	11.0
805.29199	11.5
806.29736	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	1031.3763
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03358	0.3
82.43007	0.3
85.02847	1.1
87.00754	1.1
93.03336	5.2
94.03693	0.3
95.01270	0.6
98.19746	0.5
107.04938	0.4
108.02000	0.3
109.02837	2.9
111.00799	0.4
119.01305	0.4
119.04881	0.6
121.02852	0.9
123.00789	1.6
123.04399	0.5
124.01587	0.5
125.02300	0.5
131.04962	0.4
133.02827	0.6
134.03603	0.5
135.04410	1.0
136.01596	2.1
137.02345	23.4
138.02745	0.7
139.00211	0.4
139.03938	0.3
146.55547	0.3
147.00793	0.9
148.01506	0.5
149.02350	2.1
150.03143	2.7
151.00275	6.7
151.03912	3.2
152.01042	0.9
152.04684	1.2
153.01814	0.7
153.05457	0.4
155.03365	0.5
156.06660	0.3
159.04427	0.5
161.02335	0.9
162.03108	1.0
163.00252	0.6
163.03940	1.5
164.01074	2.2
164.04759	1.6
165.01846	100.0
165.05476	2.7
166.02626	15.3
166.06183	0.4
167.03322	1.8
173.04509	2.3
175.03900	0.6
176.01016	0.5
176.04625	0.9
177.01868	1.9
177.05472	1.0
178.02626	1.1
179.03424	22.6
179.06895	2.2
180.04198	52.9
181.04977	42.5
182.05305	1.9
184.03601	0.4
187.03917	0.7
191.03668	0.6
191.05534	7.3
191.06976	0.5
192.04202	1.4
192.05768	0.5
193.05006	1.5
194.05766	4.8
195.02971	2.2
195.06557	60.3
196.06912	2.4
203.03450	0.3
204.04274	0.4
205.04984	2.8
206.05800	0.4
207.06540	2.4
209.04501	0.5
209.08141	7.6
210.05276	11.6
211.05927	1.3
219.06554	1.2
220.07370	1.8
223.05962	0.3
225.07642	36.9
226.07976	1.6
254.05865	0.3
281.04663	0.4
283.02060	0.4
285.03903	0.8
297.07635	0.7
320.92151	0.4
329.10361	0.4
345.09671	0.5
359.11252	0.9
371.11154	0.9
373.43118	0.4
385.12958	0.3
387.10538	0.9
387.14548	0.8
387.18713	0.3
388.11224	0.5
402.13144	0.7
403.13934	1.1
415.13885	0.3
416.14703	1.1
417.15558	9.1
418.15631	0.6
449.08789	0.7
449.14444	1.3
450.14832	0.4
451.15671	0.3
467.15494	0.9
481.17117	1.5
549.17511	0.3
550.18201	0.5
557.16986	0.3
565.17804	1.3
580.19336	1.4
581.20435	0.9
594.20996	4.9
595.21814	22.3
596.22107	3.3
613.23163	0.6
625.22736	1.7
642.23071	1.6
643.23907	13.1
644.24158	1.7
667.24774	0.4
697.24255	1.1
715.25732	0.8
743.23267	0.4
773.28040	7.3
774.28143	1.2
803.28973	2.0
804.29163	0.4
809.30206	0.8
821.15350	0.7
821.30341	13.1
822.30396	2.4
833.30432	0.6
851.31555	2.7
852.32538	0.6
869.32434	19.1
870.32666	4.4
1031.32458	2.8
1032.32043	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1031.3771
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95792	0.5
83.32074	0.3
85.02816	1.0
87.00778	0.6
93.03337	2.6
94.03718	0.3
95.01273	0.5
95.68060	0.3
101.61355	0.3
101.74093	0.3
107.04910	0.4
108.55972	0.4
109.02845	2.9
111.00738	0.4
111.04396	0.3
119.04903	0.4
121.02878	0.5
123.00778	1.1
123.04446	0.4
124.01532	0.6
130.00664	0.3
133.02831	0.5
134.03671	0.5
135.04442	1.8
136.01582	1.9
137.02348	24.1
138.02965	0.7
147.00812	1.0
148.01520	0.5
149.02351	1.4
149.56332	0.3
150.03178	1.7
151.00290	5.7
151.03914	4.1
152.01050	0.6
152.04683	1.0
153.01852	0.8
161.02357	1.1
162.03157	0.7
163.03918	1.1
164.01077	2.4
164.04747	1.7
165.01851	100.0
165.05441	2.0
166.02625	14.6
167.03362	1.4
173.04475	1.2
175.03914	0.9
176.01079	0.4
176.04723	0.7
177.01863	1.5
177.05525	0.9
178.02634	0.7
179.03429	22.8
179.06918	2.3
180.04207	52.3
181.04990	38.5
182.05316	1.0
184.03717	0.6
187.04021	0.6
191.03708	0.8
191.05542	6.1
191.07092	0.4
192.04195	1.3
192.05820	0.6
193.05020	0.9
194.05800	4.4
195.02946	2.6
195.06567	55.4
196.06909	2.3
203.03513	0.5
205.05035	2.7
207.06609	2.3
209.08145	7.3
209.11626	0.4
210.05272	9.3
211.05957	1.3
219.06606	0.8
220.07379	1.6
222.06696	0.3
225.07648	35.7
226.08009	1.4
285.04007	0.3
345.09695	0.7
359.11282	0.9
371.11380	0.8
386.13406	0.6
387.10782	1.2
387.14511	1.2
388.11371	0.6
402.13135	1.0
403.14017	0.7
416.14713	1.7
417.15579	9.0
418.15997	1.1
447.10352	0.3
449.14664	0.6
481.16736	0.4
549.17554	0.5
550.18494	0.4
565.16681	1.6
566.17535	0.5
579.19196	0.8
580.19543	1.0
594.21027	4.8
595.21857	20.8
596.21954	2.1
624.21405	0.4
625.23132	2.0
642.23090	1.7
643.23975	12.2
644.24414	1.5
649.22729	0.5
697.25232	0.9
773.28296	7.7
774.28418	0.7
803.29443	1.7
809.28601	0.5
821.30249	12.6
822.30280	2.8
851.31445	2.6
869.32367	15.8
870.32642	3.1
1031.36206	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1017.376
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01259	0.5
76.39352	0.4
85.02810	1.0
93.03334	4.2
95.01272	0.6
95.04926	0.6
96.95872	0.4
105.76087	0.3
108.02059	1.1
109.02846	1.9
111.04398	0.5
121.02848	3.7
122.03626	6.9
123.00772	0.8
123.04408	0.8
124.01533	0.4
125.02382	0.5
133.02832	1.1
134.03639	0.8
135.04401	4.0
136.01541	1.6
137.02330	4.6
138.03096	0.6
139.03922	0.5
147.04485	0.4
148.01601	0.8
149.02348	21.8
149.05962	0.5
150.03128	38.7
151.00223	2.0
151.03932	4.4
153.01810	0.6
153.05455	1.2
155.03348	0.5
155.04837	0.5
159.04370	0.6
160.01547	0.4
161.02350	1.2
162.03117	1.0
163.03893	0.8
164.01054	0.4
164.04691	4.4
165.01839	1.5
165.05482	43.4
166.02638	4.5
166.05792	1.9
167.03320	1.1
171.04494	0.8
173.04489	0.5
173.05937	0.5
175.03900	0.5
176.00992	0.5
177.01831	1.3
177.05463	0.9
178.02640	0.9
179.03465	2.3
179.07098	1.0
180.04193	4.2
181.05000	6.4
183.04460	1.0
184.05066	0.4
187.03915	0.7
188.04602	0.4
189.05482	0.6
191.03413	1.4
191.05522	6.8
191.07153	0.8
192.04155	1.4
192.05836	0.6
193.05063	0.8
195.06555	36.5
196.06856	1.0
199.03937	17.1
200.04518	1.9
202.02687	0.5
203.03487	0.6
204.04218	0.5
205.04974	0.6
207.06593	1.1
209.11761	0.5
210.03171	1.4
211.03935	3.7
212.04689	1.0
213.05582	2.7
214.06248	0.5
215.07147	0.5
217.05011	1.1
219.06621	0.7
220.07294	0.4
221.04451	1.0
223.05975	0.5
225.05548	0.9
227.03448	16.9
228.04088	2.5
239.03398	1.0
240.04271	3.0
241.04970	3.5
242.05766	4.4
243.06493	1.5
254.05811	0.6
255.02948	10.2
255.06598	9.8
256.03757	2.2
256.07211	2.1
257.04123	0.5
257.08200	2.8
269.04510	1.1
269.08185	0.7
270.05310	36.6
270.08868	7.9
271.06079	14.1
271.09509	2.1
272.06406	0.7
283.06116	0.5
284.03241	1.3
284.06314	0.4
285.07672	100.0
286.08295	13.7
287.08698	0.5
299.05759	1.0
300.10013	61.7
301.10712	19.8
302.11139	1.3
315.08698	0.6
316.09406	0.6
327.21765	1.2
329.10419	1.9
330.11224	0.5
331.11862	54.6
332.12189	4.5
352.08069	1.0
355.11658	0.4
371.11313	0.8
376.61548	0.4
386.13574	0.7
401.12357	0.6
403.14175	0.5
417.15482	0.9
422.33612	0.4
441.11850	2.7
444.14111	0.5
449.14456	1.4
456.14468	1.9
457.14850	2.8
459.16879	2.7
471.16617	18.5
472.16876	2.1
489.17670	5.2
549.17242	0.8
550.18170	0.9
565.20715	2.4
567.24225	0.5
575.18787	0.9
576.20221	0.4
604.19336	0.9
607.21875	5.8
608.22345	0.6
619.21814	58.0
620.22119	7.0
637.22333	0.5
649.22742	1.7
655.24091	1.1
667.23969	19.8
668.24457	3.4
685.25031	1.4
686.25977	0.5
932.34027	0.4
1017.39795	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1017.3768
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01247	1.0
82.79598	0.4
85.02818	1.5
87.00729	0.9
93.03341	4.5
95.01254	1.4
95.04882	0.5
96.95847	0.4
97.02817	0.4
108.02035	1.1
109.02862	2.0
111.07468	0.4
121.02843	4.2
122.03647	6.4
123.00784	1.2
123.04427	0.8
124.01543	0.6
125.02277	0.6
132.02083	0.6
133.02843	1.3
134.03650	0.9
135.04396	3.5
136.01537	1.4
137.02335	4.0
138.03159	0.7
145.02806	0.6
147.04396	0.6
149.02342	24.9
150.03127	40.5
151.00301	1.9
151.03934	4.2
152.01033	0.6
153.01807	0.8
153.05434	1.2
161.02402	0.6
162.03085	0.7
163.03937	0.9
164.04698	5.1
165.01813	1.7
165.05479	44.7
166.02640	4.3
166.05858	1.6
167.03371	1.1
171.04340	0.8
173.04443	1.1
173.05890	0.5
175.03952	0.7
176.01082	0.6
177.01830	1.2
177.05458	0.7
178.02583	1.1
179.03522	2.0
179.07079	1.0
180.04184	3.3
181.04971	6.7
183.04405	0.7
187.03922	0.8
189.05460	0.6
191.03703	0.6
191.05528	9.4
192.04150	1.3
192.05815	0.7
193.04942	0.6
195.06555	41.7
196.06894	1.8
198.03236	0.5
199.03923	20.9
200.04428	1.5
202.02669	0.7
203.03410	0.7
205.05043	0.7
207.06570	0.9
210.03127	1.5
211.03947	3.5
212.04614	1.2
213.05493	2.6
214.06186	0.8
217.05043	1.1
219.06581	0.7
221.04512	1.1
223.05916	0.4
225.05484	1.0
225.07631	0.6
227.03456	20.4
227.06927	0.8
228.04187	2.8
231.02919	0.8
239.03386	1.4
240.04175	2.7
241.05003	3.1
242.05811	5.1
243.06560	1.4
251.03639	0.4
255.00346	0.6
255.02953	10.8
255.06589	9.0
256.03766	2.9
256.07214	1.4
257.08099	3.2
269.04642	0.8
269.08237	0.5
270.05310	40.7
270.08878	8.3
271.06055	14.4
271.09573	1.8
272.06451	1.0
283.06024	0.6
284.03302	0.6
285.07672	100.0
286.08267	14.6
287.08875	0.8
300.10019	61.3
301.10739	22.3
302.11142	1.2
314.07877	0.5
315.08575	0.6
329.10245	1.8
331.11853	60.2
332.12234	5.5
339.12695	0.5
341.10211	0.4
351.07867	0.4
352.08090	0.6
379.53513	0.4
386.13458	0.6
401.12387	0.5
403.13885	0.6
413.12228	0.4
415.13766	0.5
417.15604	0.9
429.11780	0.5
441.11823	2.3
442.12729	0.4
449.14502	0.5
456.14282	1.7
457.15002	3.5
459.16721	2.2
471.16605	21.9
472.17059	2.3
489.17667	5.8
507.05612	0.4
535.16406	0.5
549.17657	0.8
550.18262	1.0
565.21033	1.6
566.20117	0.4
575.18854	0.8
604.19775	0.6
607.21893	6.4
619.21790	65.9
620.22095	9.8
637.22693	0.8
649.22754	1.3
655.23883	0.9
667.23944	19.1
668.24036	3.1
685.25153	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	1009.4285
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01247	2.7
73.02820	0.5
73.23912	0.2
77.37624	0.3
78.95741	0.3
81.03327	0.9
83.01261	0.3
83.04910	1.3
85.02821	18.0
87.00743	4.0
89.02285	0.4
93.03336	9.0
93.57266	0.2
95.01257	0.8
96.95869	1.3
99.04379	0.8
101.02305	0.9
107.28445	0.2
108.02043	0.3
109.02829	1.8
111.00790	0.4
111.04400	2.4
113.02335	0.6
119.04929	0.3
125.02351	0.4
127.03901	3.9
133.02809	0.7
134.03604	0.3
135.04399	1.1
136.01521	0.2
137.02345	0.8
146.03574	0.2
150.03069	0.5
151.03743	0.3
155.03391	0.6
158.03625	0.5
159.04405	1.0
160.05196	0.4
161.02359	0.7
161.06058	0.2
163.11223	0.3
164.04723	0.3
165.01869	0.2
165.05490	0.5
171.02904	1.2
171.04309	0.5
172.05215	3.2
173.04456	2.5
173.05952	0.8
174.03122	0.9
174.04639	0.3
175.03818	0.2
179.03333	0.3
183.04453	0.7
184.05168	0.4
185.06010	0.5
186.06825	0.5
187.03990	1.1
188.04572	0.3
191.05536	100.0
192.05882	3.3
195.06653	0.3
197.06039	0.9
199.03937	6.4
200.04686	2.8
201.05457	0.6
202.06369	0.5
204.04218	1.1
209.06055	0.2
209.11809	3.6
211.03975	1.5
211.07639	0.2
213.05431	0.7
214.06235	0.5
227.03448	18.2
228.04198	7.5
229.04662	0.4
232.03735	0.6
239.14450	0.4
255.02950	0.3
255.13918	0.5
257.15414	0.2
265.12323	0.3
267.13885	0.5
281.15417	0.4
283.13385	21.2
284.13751	1.9
285.03967	0.8
285.14883	0.3
297.15054	0.3
301.14423	3.7
307.13278	0.4
308.13376	0.3
309.14944	5.6
310.15247	0.4
311.12857	6.4
311.16476	0.4
312.13315	0.5
325.14484	2.6
326.14676	0.4
327.12335	2.1
327.16019	3.2
329.13959	1.8
335.12796	0.4
343.15646	0.4
345.17087	0.4
353.13913	14.6
354.14328	1.4
371.14969	4.5
437.64499	0.2
447.09409	0.3
449.14679	0.5
537.23969	0.2
563.21069	0.5
589.22870	0.6
607.24023	4.0
608.24591	0.3
747.35858	0.3
755.35480	0.3
773.33881	5.4
774.34698	0.8
775.35211	0.7
776.36145	0.3
791.38892	0.9
799.35406	1.0
817.36475	64.0
818.36823	11.2
835.37604	3.6
836.38092	0.8
991.42072	1.0
1009.43005	10.6
1010.43243	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	1010.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
70.02853	2.4
70.34227	0.7
71.01252	6.8
72.99178	0.8
73.02806	0.2
79.05536	0.2
82.99467	1.1
83.01249	0.5
84.04433	0.6
85.02827	1.7
86.00575	0.2
86.02350	3.6
87.00758	0.3
89.02317	5.0
92.04914	0.2
93.03334	0.7
94.02855	1.1
95.01264	0.6
95.04896	0.4
95.87968	0.2
96.00267	0.5
101.01698	0.3
101.02322	3.6
103.05416	0.4
105.06966	0.3
107.04967	0.2
109.01096	0.3
112.03925	13.0
113.00535	0.3
113.02325	2.1
113.04276	0.2
119.03391	1.8
119.04922	0.2
121.02827	0.9
121.06522	0.2
122.02373	8.5
122.06023	0.9
123.04411	0.5
130.04129	0.3
130.06569	0.4
131.04929	1.1
135.99788	1.0
137.00552	0.3
137.04196	2.7
137.05942	0.2
139.02141	1.1
143.03453	0.2
144.04497	0.2
146.06018	0.3
147.02634	0.5
147.04416	0.5
148.03923	0.5
148.07518	0.2
149.02296	0.6
150.01335	0.5
156.02924	2.0
157.05238	0.5
158.03654	0.3
158.05974	0.6
163.02136	0.5
165.02489	0.7
165.03705	11.2
165.46408	0.2
172.07588	2.3
173.04565	0.2
173.05945	0.2
174.05496	1.5
174.09142	0.3
176.07021	0.2
178.51726	0.2
179.05498	0.6
182.02725	7.3
183.03014	0.3
185.04826	0.5
190.03229	1.2
190.08743	0.3
191.01624	1.4
191.05470	1.3
192.02705	0.3
192.06586	1.3
200.07097	6.2
201.07597	0.4
204.01155	0.4
205.01932	0.6
206.06354	0.6
218.08195	1.6
226.01740	8.4
227.02060	0.2
234.05898	12.7
235.06161	0.7
268.06430	1.2
278.04916	10.6
279.05255	0.5
280.90118	0.2
284.03232	0.3
285.04041	0.6
296.05960	10.4
297.06241	0.4
350.87387	0.2
380.14017	0.2
414.12314	1.2
424.12436	0.3
430.11703	0.7
458.11240	100.0
459.11606	7.9
460.11304	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1007.4139
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01250	2.4
73.02811	0.7
78.95765	0.4
81.03324	1.0
83.01234	0.4
83.04893	1.2
84.01981	0.3
85.02827	19.3
86.03179	0.3
87.00758	4.2
89.02339	0.5
93.03343	8.9
95.01257	0.6
96.95893	0.6
97.02821	0.7
99.00774	0.4
99.04384	0.5
101.02338	0.8
108.02016	0.3
109.02844	2.2
109.06462	1.5
111.00746	0.3
111.04412	2.3
111.20249	0.3
113.02332	0.8
127.03904	3.5
133.02846	1.0
134.03630	0.4
135.04417	1.2
137.02408	0.6
155.03398	1.0
156.05710	0.3
158.03667	0.5
159.04413	1.6
161.02328	0.4
161.09576	0.3
163.11208	0.7
165.05440	0.4
171.02859	0.9
171.04282	0.3
172.05249	3.0
173.04460	2.5
173.05890	0.5
174.03111	0.6
179.03348	0.5
181.12285	0.4
183.04559	0.6
185.05994	0.8
187.03947	1.0
191.05547	100.0
192.05893	3.5
195.06541	0.4
197.06012	0.9
199.03973	6.6
200.04709	2.8
201.05511	0.8
202.06250	0.7
204.04205	1.0
207.10175	2.7
209.11664	0.6
211.03970	1.0
211.07555	0.5
212.04633	0.3
213.05516	0.6
214.06282	0.6
225.05444	0.3
225.11189	1.3
226.02589	0.5
227.03458	16.4
228.04225	6.5
229.04880	0.5
232.03764	0.6
240.04280	0.7
255.13922	0.4
257.15387	0.6
267.13864	0.5
281.15329	0.4
283.13409	20.9
284.13742	1.5
285.15015	0.5
301.14514	3.2
306.28970	0.3
307.13480	0.4
309.14954	5.1
310.15445	0.4
311.12894	5.4
312.13248	0.6
325.14423	2.3
326.14893	0.3
327.12350	1.7
327.16040	2.7
329.13791	1.4
335.12860	0.3
343.15811	0.6
345.16922	0.3
351.07620	0.5
351.12369	2.1
352.12610	0.3
353.13937	14.4
354.14142	0.5
369.13452	0.6
371.14908	3.1
372.15479	0.4
563.22284	0.5
607.23944	3.4
745.34955	0.6
753.35181	0.4
771.32709	5.1
772.34015	0.5
773.33942	1.4
789.36664	1.2
797.33759	1.8
815.34973	62.2
816.35321	11.1
833.36060	4.2
834.36511	0.8
989.39758	1.5
1007.41577	10.3
1008.41620	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	1009.4286
Annotation	Unknow
Peak:m/z	Relative Intensity
70.84644	1.5
71.01256	4.2
77.03842	0.6
80.65665	0.5
81.03329	2.6
83.04886	2.9
85.02824	12.2
87.00753	13.1
91.05473	0.5
92.72630	0.5
93.03338	69.3
94.03675	1.2
95.01272	1.1
95.04907	1.1
99.00741	0.9
99.04401	1.4
105.03352	4.7
107.04886	0.7
108.02061	1.2
109.02856	4.5
111.00774	0.9
111.04402	7.3
113.02356	0.8
113.60733	0.5
119.04955	0.5
121.02855	1.6
122.03558	0.6
123.04414	1.7
124.01569	2.9
125.02312	1.4
126.03092	0.9
127.03939	3.0
129.01822	1.9
132.02080	3.6
133.02853	32.0
134.03685	7.1
135.04414	61.7
136.04790	2.1
137.02306	3.5
137.69301	0.4
139.03911	0.9
149.02344	0.7
150.03162	2.9
151.03912	5.2
155.03375	3.3
159.04424	1.0
160.01559	2.9
161.02344	8.2
163.03973	0.6
171.02946	0.8
173.04482	14.8
173.05968	0.5
174.32860	0.5
177.01842	7.8
178.02608	4.0
179.03409	12.1
180.03973	0.5
187.03966	0.5
191.05539	79.9
192.05908	2.6
209.11769	3.1
211.13393	1.6
215.05530	4.4
235.13560	0.5
253.15530	0.6
283.13425	1.4
296.99075	0.5
297.02386	0.7
299.16455	0.8
301.14529	0.7
307.08295	1.7
308.09048	2.5
309.14966	2.1
325.14493	0.6
327.15976	2.8
351.07202	10.3
352.07730	1.6
353.13977	2.1
371.14902	0.7
378.15390	0.7
545.20203	0.6
607.23907	1.1
669.71948	0.6
773.37177	1.1
782.31183	0.6
791.39136	1.3
799.35596	1.3
817.36548	23.1
817.51843	1.2
818.36957	4.1
835.37573	2.7
991.42072	1.6
992.42053	0.9
1009.42822	100.0
1010.43103	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	1007.4126
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01253	4.4
71.30378	0.8
72.99171	0.5
73.02824	1.0
78.95782	0.6
81.03318	2.7
83.01257	0.5
83.04893	2.2
85.02819	11.8
87.00747	11.1
91.05418	0.5
93.03332	68.7
94.03654	1.4
95.01284	0.8
95.04913	1.5
97.02817	0.6
99.00771	1.3
99.04393	1.0
101.02322	0.8
105.03343	4.4
107.04899	1.3
108.02054	1.9
109.02847	5.1
109.06474	1.0
111.00768	0.9
111.04404	6.7
113.02341	0.8
116.92670	0.5
119.50114	0.4
121.02813	2.0
123.04435	1.3
124.01543	3.0
125.02325	1.3
126.03087	0.7
127.03878	2.8
129.01817	1.2
132.02066	3.3
133.02849	30.8
134.03656	7.7
135.04411	59.9
136.04707	2.0
137.02353	4.6
139.03926	1.5
147.04298	0.4
149.02348	1.4
150.03139	2.4
151.03912	6.2
155.03409	2.7
159.04416	0.6
160.01564	2.6
161.02339	6.5
162.03020	0.5
163.03922	0.5
163.11223	0.9
171.02875	1.0
172.05148	0.5
173.04468	14.9
174.03200	0.7
177.01855	8.4
178.02603	4.0
179.03407	12.3
180.03772	0.7
183.04459	0.5
187.03967	0.5
188.28421	0.4
191.05531	80.8
192.05876	2.3
207.10207	2.0
209.11783	0.6
211.13284	1.4
215.05551	4.2
216.66312	0.5
225.11304	1.1
240.04207	0.5
281.15546	0.5
283.13342	0.8
295.38251	0.4
299.16428	0.4
307.08218	1.6
308.09055	3.2
309.14993	1.6
325.14349	0.5
327.12491	0.5
327.16055	2.2
343.14792	0.5
351.07184	11.1
352.07880	1.7
353.09448	0.5
353.13742	2.1
371.14893	1.1
547.01642	0.4
607.24243	0.5
689.13318	0.5
753.35553	0.5
771.35437	1.3
772.36206	0.5
773.34033	0.5
781.66937	0.5
789.36896	1.1
797.33972	1.4
815.34961	23.1
816.34930	3.4
833.36572	3.2
989.40466	1.3
1007.41248	100.0
1008.41589	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	1005.3768
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01263	0.5
71.51098	0.6
90.31286	0.4
90.42581	0.4
93.03336	6.1
95.01296	0.6
95.04897	1.0
96.95913	0.9
107.04889	0.4
108.02078	1.4
109.02854	2.3
111.00800	0.4
119.04910	0.4
121.02849	9.1
121.03677	0.3
122.03630	17.4
123.00789	1.6
123.04479	1.8
124.01542	1.0
125.02396	0.6
132.02055	1.2
133.02875	2.7
134.03696	2.8
135.04468	1.9
136.01567	9.0
137.02348	8.7
137.04639	0.4
137.05888	0.5
138.03137	1.2
139.00246	0.5
139.03938	0.6
145.02843	1.5
146.03638	3.1
147.04422	1.8
148.01558	0.6
149.02351	38.9
149.05951	2.4
150.03133	100.0
151.00282	4.8
151.03938	14.9
152.01022	1.4
152.04680	2.2
153.01820	0.8
153.05501	0.9
159.04416	0.7
161.02371	2.4
161.05978	1.2
162.03140	2.6
163.03944	1.9
164.04716	9.1
165.01837	2.5
165.05487	88.2
166.02632	15.4
166.05788	3.4
167.03397	2.1
173.04507	0.8
175.03908	4.0
176.01045	0.6
176.04665	0.9
177.01814	1.2
177.05470	4.8
178.02644	1.5
179.03447	3.3
179.07066	6.4
180.04205	8.3
181.04977	16.6
182.05356	0.6
184.03745	0.6
187.03923	1.5
190.02625	0.6
190.06229	1.4
191.03474	1.0
191.05530	5.5
192.04279	0.6
192.05878	0.5
193.04967	1.9
194.05783	0.9
195.06564	46.4
196.06926	2.1
203.03413	0.9
204.04181	0.4
205.05042	4.2
206.05692	0.7
207.06587	1.6
209.04468	0.7
209.08061	0.5
219.06590	1.5
220.07344	3.3
225.07713	0.7
235.09866	0.5
254.05856	0.6
266.05707	0.7
267.06549	0.8
269.08331	0.9
270.08838	0.7
271.05917	0.4
285.04251	0.6
297.07663	0.8
298.08270	1.0
299.09244	0.9
309.07678	0.5
313.10818	2.7
314.07916	0.6
315.08725	1.2
325.07196	0.6
328.09573	1.2
329.10260	1.5
341.10248	0.6
343.11844	16.5
344.12241	1.4
355.11691	0.7
356.12418	0.8
357.13110	0.5
369.13309	0.4
371.11072	0.6
372.12076	1.4
373.12903	8.3
374.13242	0.5
387.10052	2.1
387.14935	3.6
388.11270	0.9
391.14066	5.2
392.14130	0.5
402.13318	2.1
403.13992	2.6
416.14816	1.2
417.15567	13.8
417.76477	0.4
418.16049	1.0
471.16595	0.7
505.14993	0.6
520.17291	0.6
535.15729	1.8
549.17023	0.6
550.18408	1.3
551.19269	1.1
559.55243	0.5
563.19861	0.7
564.20251	0.8
565.20770	29.3
566.20929	3.4
577.20868	0.9
583.21631	1.2
595.21893	13.4
596.22095	1.8
599.20953	0.8
613.22968	9.3
614.22766	1.7
619.21924	0.6
667.23547	0.5
713.25995	6.3
714.26263	0.6
725.25708	0.6
743.26758	3.9
744.27057	0.8
761.28296	4.2
762.27850	1.1
773.27917	0.6
791.29089	2.7
792.29028	0.5
809.30060	3.0
810.30591	0.5
815.28528	0.4
909.32898	1.6
939.34741	3.0
940.35004	0.7
957.35754	0.9
969.35602	0.7
987.36719	0.6
1005.37616	1.1
1013.63593	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1002.6048
Annotation	Unknow
Peak:m/z	Relative Intensity
69.40306	0.1
71.06168	0.4
76.71722	0.2
78.95769	30.6
81.82028	0.1
83.25866	0.1
96.96831	2.5
106.93475	0.1
116.92715	0.2
130.68666	0.1
150.97925	0.5
152.99481	42.9
153.99847	0.6
155.56664	0.1
171.00545	11.8
191.05527	0.4
227.03214	2.8
245.04269	58.6
246.04591	1.3
253.21689	24.2
254.22038	1.4
279.23331	0.6
281.24921	0.2
282.25204	0.2
340.92407	0.1
481.25684	100.0
482.26047	9.9
507.27451	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1005.3767
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01286	0.6
71.51109	0.6
78.64774	0.4
78.95790	0.6
79.24883	0.4
81.03348	0.4
85.02843	1.6
89.07783	0.3
93.03334	7.0
95.01288	0.7
95.04910	0.5
96.95950	0.5
97.02818	0.5
101.02335	0.7
107.04948	0.6
108.02061	0.7
109.02850	1.9
110.69501	0.4
120.59616	0.4
121.02857	7.5
122.03642	16.7
123.00790	1.9
123.04391	1.7
124.01563	1.0
124.68585	0.4
127.03888	0.5
133.02858	1.8
134.03656	1.5
135.04442	2.7
135.05348	0.4
136.01558	5.2
137.02365	3.4
138.03140	1.3
139.03923	0.5
145.02914	0.7
146.03632	1.9
147.04376	0.7
149.02357	28.1
149.05997	1.2
150.03139	100.0
151.00288	3.7
151.03940	7.5
152.01057	0.9
152.04642	0.7
153.01859	0.5
153.05276	0.5
155.03453	0.7
159.04379	0.4
161.02339	1.9
161.06013	0.6
162.03185	1.9
163.03864	0.9
164.04732	4.8
165.01868	2.9
165.05493	88.6
166.02635	10.5
166.05812	3.3
167.03363	1.5
173.04558	0.9
175.03947	2.2
176.00829	0.4
176.04782	0.4
177.01877	1.3
177.05511	2.0
178.02650	0.6
179.03452	2.6
179.07063	4.4
180.04204	7.3
181.04987	12.0
182.05338	0.8
187.03865	0.7
190.06119	0.6
191.03697	0.6
191.05537	12.4
192.04227	0.7
193.04996	0.7
194.05779	0.7
195.06569	57.4
196.06952	2.7
203.07045	0.7
205.04985	1.6
206.05817	0.6
207.06508	0.6
209.04573	0.5
209.08197	0.9
213.05449	0.4
219.06561	1.1
220.07376	0.9
221.08141	0.5
225.07649	1.6
255.06564	0.5
257.08328	0.4
269.08093	0.8
270.08954	0.8
279.06622	0.5
298.08456	0.5
299.09143	0.7
313.10855	1.5
327.08774	0.5
328.09436	0.6
329.10138	0.8
339.08813	0.5
343.11871	13.6
344.12286	0.9
352.07684	0.5
353.08905	0.5
357.09622	0.6
359.11401	0.6
368.12564	0.5
369.13199	0.4
372.12076	1.1
373.12903	6.8
387.10623	1.9
387.14954	4.6
388.11212	0.7
391.14005	3.6
402.13116	1.4
403.13928	2.0
417.15576	15.9
417.21234	0.8
418.15778	1.2
421.14969	0.8
467.85019	0.5
505.15036	0.5
535.18256	0.7
551.19421	0.4
563.21051	0.5
565.20740	10.3
566.20740	1.3
569.20227	0.7
577.21411	0.5
583.21637	1.2
595.21777	4.1
599.21350	0.5
613.22858	8.9
614.23163	1.7
623.00269	0.5
713.25928	1.1
743.27576	1.0
761.28375	3.9
773.27905	0.6
791.28522	1.6
792.29340	0.6
809.30133	3.3
810.29266	0.6
909.34473	0.7
939.34357	1.0
957.35144	1.9
969.33545	0.5
987.36237	0.6
1005.36816	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	1001.3658
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01262	1.0
78.95782	0.5
83.01316	0.5
85.02821	0.5
89.02347	0.6
93.03336	7.3
93.83325	0.4
94.00792	0.5
94.03693	0.5
95.01279	0.7
101.02338	0.8
107.04943	0.6
108.02055	0.8
109.02809	3.2
111.00715	0.5
111.04441	0.6
121.02845	6.9
122.03629	18.0
123.00758	1.3
123.04485	0.7
125.02293	0.6
133.02840	1.5
134.03635	1.5
135.04427	2.7
136.01567	4.3
137.02347	13.6
146.03639	1.0
149.02347	22.2
149.05974	0.5
150.03131	100.0
151.00272	4.3
151.03923	12.3
152.01025	0.6
152.04674	1.1
153.01811	0.8
153.05548	0.7
155.03383	0.6
159.01189	0.5
161.02391	1.0
161.05927	0.4
162.03094	0.8
163.03893	0.9
164.01086	1.5
164.04678	4.2
165.01846	46.9
165.05482	95.0
165.60365	0.5
166.02623	11.9
166.05788	2.9
167.03360	1.6
173.04460	1.6
173.68008	0.4
175.03914	0.8
176.04785	0.8
177.01886	1.0
177.05490	1.5
178.02837	0.7
179.03426	11.5
179.06998	5.3
180.04198	34.3
181.04985	21.1
182.05400	1.0
190.06236	0.7
191.03842	0.5
191.05531	8.6
191.07141	1.0
192.04248	0.7
192.05841	0.7
194.05765	2.3
195.06557	99.9
196.06857	3.5
201.11276	0.8
205.05006	3.1
207.06496	1.1
208.09789	0.5
209.08116	3.5
210.05284	5.8
211.05907	0.9
219.06595	1.4
220.07350	1.4
225.07629	29.6
226.07932	0.9
285.04071	1.4
352.08133	0.6
372.12018	0.6
387.10272	1.0
387.15039	2.2
402.13062	1.4
403.13831	1.5
416.14716	1.1
417.15518	15.0
449.14285	0.9
502.30331	0.5
565.21216	2.8
580.19330	0.6
583.20728	0.6
595.12256	1.0
595.21838	19.0
596.22388	2.6
613.22925	8.1
614.22974	0.7
625.22699	2.6
642.22394	0.7
643.23883	9.5
644.24066	1.0
667.23553	1.0
668.26025	0.6
697.24146	1.0
715.26105	0.6
743.27100	1.6
773.27295	2.3
791.29205	9.3
792.29327	1.7
803.27838	0.7
809.32355	0.6
821.29810	4.0
822.30042	0.9
839.31287	28.4
840.31439	5.2
1001.35052	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	1001.3659
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01263	1.0
78.95772	0.5
85.02816	0.8
93.03334	5.9
95.01259	1.0
95.04893	0.8
99.40842	0.5
107.04894	1.0
107.91795	0.4
108.02039	1.0
109.02839	5.0
111.00736	0.5
121.02847	7.7
122.03628	15.0
123.00763	2.4
123.04391	1.8
124.01544	1.1
125.02362	0.5
132.02151	0.6
133.02826	3.0
134.03642	2.8
135.04408	2.2
136.01550	10.7
137.02344	27.4
138.03107	0.9
139.03947	1.1
145.02759	0.7
146.03702	2.8
147.00845	0.8
147.04411	1.0
148.01559	0.7
149.02344	30.8
149.05989	2.1
150.03127	93.1
151.00278	8.7
151.03926	25.2
152.01027	1.6
152.04694	2.4
153.01790	1.5
153.05399	1.2
161.02319	2.4
161.05960	1.0
162.03116	2.1
163.03911	1.9
164.01060	2.2
164.04709	7.8
165.01843	100.0
165.05476	73.0
166.02625	24.1
166.05730	2.6
167.03360	2.8
168.04210	0.5
173.04463	0.8
175.03903	2.0
176.04733	1.1
177.01802	3.1
177.05476	4.9
178.02571	1.6
179.03426	21.5
179.07019	9.5
179.25462	0.4
180.04196	56.3
181.04974	41.5
182.05266	1.5
184.03639	0.9
187.03926	2.8
189.05460	0.5
190.02608	0.6
190.06268	0.7
191.03607	1.0
191.05515	6.4
192.04207	2.2
192.05794	0.7
193.04967	1.7
194.05754	5.7
195.02948	2.3
195.06549	88.1
196.06888	3.0
202.06204	0.9
203.03487	0.6
205.05013	4.8
206.05730	0.9
207.06636	2.9
209.08131	6.3
210.05283	9.5
211.05957	1.4
219.06592	2.2
220.07343	4.3
221.08061	0.8
223.97810	0.5
225.07635	41.1
226.07930	1.1
282.05252	0.7
286.93872	0.5
297.07620	0.7
315.08786	1.1
329.10284	1.4
339.08682	0.6
359.11346	1.0
371.11050	1.1
372.11728	0.6
373.12823	1.4
386.13562	1.0
387.10645	2.2
387.15253	2.3
402.13327	2.9
403.13724	1.9
416.14804	3.4
417.15521	17.5
418.15811	1.1
421.14877	0.8
449.14407	0.7
526.45593	0.5
535.15363	2.4
549.16901	0.7
550.18420	1.8
564.20093	3.7
565.20856	20.8
566.20593	2.0
580.19049	0.8
581.20117	1.0
583.21863	0.8
594.20923	2.9
595.21857	17.9
596.21753	1.9
612.21381	1.3
613.22894	13.3
614.22968	1.0
619.21265	1.1
624.21814	0.7
625.22607	2.3
642.23071	1.8
643.23907	9.9
644.24152	1.3
649.22693	0.8
667.23792	1.9
685.23883	0.6
697.24341	1.1
743.13562	0.9
743.27020	14.8
744.26959	2.1
773.28149	7.9
774.28174	1.3
791.29163	21.9
792.29224	3.6
803.29712	2.4
821.30334	7.1
822.29944	1.2
839.31274	40.0
840.31396	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	990.3966
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03436	2.3
69.07034	0.3
70.06583	0.4
71.05016	0.4
71.51371	0.7
75.04464	0.5
77.03933	0.4
78.04708	1.8
79.05498	3.2
81.03428	3.4
81.07058	0.6
82.04194	0.9
83.04974	0.3
83.38461	0.3
84.05123	0.3
84.08120	0.3
85.02905	4.8
85.29576	0.3
89.03934	0.5
91.05485	8.4
93.03414	0.7
93.07043	0.7
94.04187	0.5
95.04967	3.4
97.02909	1.9
97.06532	1.1
99.04438	0.6
102.04649	0.4
103.05462	8.6
105.03400	1.0
105.07030	2.8
106.04159	0.9
107.04961	6.8
108.02128	0.5
109.02871	1.1
109.06525	0.6
110.03688	1.8
111.04443	1.8
115.05464	5.1
117.03363	0.5
117.07010	6.7
118.04153	1.3
119.04945	6.6
120.05731	0.4
120.75238	0.4
121.02882	0.5
121.06523	2.2
122.03635	1.4
122.04382	0.3
122.29881	0.3
123.04421	5.7
123.08101	0.4
124.05235	2.8
125.05989	3.2
127.03905	1.0
127.05454	0.7
128.06221	0.7
129.05463	0.3
129.07008	1.4
130.04128	0.5
131.04930	11.4
131.08556	0.7
132.05699	0.7
133.02866	7.9
133.06488	3.9
134.03615	0.6
135.04410	1.5
135.08084	1.0
136.05190	0.4
137.05978	18.8
138.03102	0.6
138.06322	0.5
139.03912	0.4
139.07535	0.7
142.02643	1.0
143.04938	1.0
144.05693	1.1
145.06493	12.3
146.03644	0.8
146.07204	0.6
147.04424	9.4
147.08008	2.1
148.05165	2.7
149.05986	4.1
151.03920	3.5
151.07549	6.1
152.04657	1.8
153.05466	3.1
155.06026	2.7
155.07065	0.6
156.05673	0.7
157.06441	0.9
158.07222	0.4
159.04437	1.0
159.08038	1.5
160.05229	2.0
161.05989	7.2
162.06769	0.8
163.03864	0.7
163.07549	10.1
165.05502	4.0
165.06898	0.5
166.06210	0.5
167.07039	100.0
168.07420	1.4
169.06390	0.5
171.04425	0.5
171.06581	2.9
171.07938	0.5
172.05231	0.8
173.05994	19.7
174.06648	0.8
175.03946	0.5
175.07571	5.4
176.04738	1.0
176.08340	0.4
177.05467	3.2
177.09108	0.7
178.06308	0.4
179.07037	11.6
181.04958	67.7
182.05370	1.3
183.06451	0.7
185.05969	0.5
187.03804	0.4
187.07527	2.1
188.04675	0.7
188.08276	0.5
189.05426	1.3
189.09109	1.6
190.06253	2.2
191.07027	31.9
192.07401	0.6
193.04930	0.6
193.08611	1.8
195.06490	1.8
195.08043	0.8
197.05997	0.6
197.08087	0.4
198.06721	0.9
199.07565	0.8
201.03827	0.4
201.05371	2.2
201.09082	0.7
202.06180	0.8
203.07025	7.9
203.08786	0.6
204.07663	0.4
205.06631	0.8
205.08597	11.2
207.06502	1.6
207.08266	0.6
207.10144	1.3
209.06149	0.6
209.08073	2.0
209.09808	0.5
215.07048	1.2
217.08647	3.9
218.05688	0.4
219.06429	1.7
219.10054	2.6
220.07269	0.5
221.06149	0.6
221.08107	1.4
222.06758	0.7
223.07513	1.2
223.09459	0.4
225.09244	0.6
226.06194	0.4
227.07098	0.6
229.08606	1.2
231.06509	1.7
233.08063	8.2
234.06696	0.7
234.08832	0.5
235.07475	1.0
235.09622	8.1
235.11894	0.7
236.08180	0.6
237.09103	1.0
239.07106	0.5
239.10637	0.6
240.07829	0.7
241.08633	1.3
245.08098	1.3
247.07509	0.8
247.09695	1.5
248.08363	0.6
249.05348	0.4
249.09186	0.5
250.06270	1.0
251.06837	0.7
251.08981	0.4
252.07813	0.8
253.08443	0.7
255.10141	1.8
257.08160	0.7
259.09735	0.8
263.07053	0.7
263.09149	12.5
264.07721	0.8
265.08304	2.0
265.10806	1.4
267.06506	0.4
267.10147	1.5
269.08069	0.9
273.11517	0.4
275.09174	0.8
276.07837	0.5
277.08633	1.3
278.08911	0.4
279.06479	0.5
279.10129	1.2
281.08170	0.8
281.11545	0.4
283.09747	0.6
291.10162	0.6
293.08060	1.5
294.08701	0.5
295.09558	1.1
297.11179	3.4
299.09171	1.0
299.12729	0.4
301.10873	0.4
307.09415	0.8
308.10495	0.4
309.11276	2.7
310.08255	0.9
311.09006	0.9
311.12524	0.4
312.09644	0.5
314.11395	0.4
315.12210	1.0
321.11273	0.7
323.09036	0.5
323.12756	0.5
324.09985	0.6
325.10703	2.9
326.11450	0.7
327.12164	3.4
329.10138	2.7
329.13840	0.8
330.10992	0.4
337.10571	0.7
339.12228	1.3
342.10913	0.7
343.11853	0.7
349.10571	0.4
351.08664	0.4
351.12518	0.5
352.09216	0.4
353.10114	0.7
353.13947	1.0
355.11740	1.3
357.13293	7.3
358.13632	0.5
359.14688	0.5
367.11560	0.9
369.13257	1.3
371.14944	0.6
375.14246	0.5
381.13303	0.8
383.14661	0.8
385.12802	14.5
385.17728	0.8
386.13232	1.0
387.14374	3.8
397.12585	1.2
398.69058	0.4
399.14410	3.3
403.13892	0.5
413.15942	0.4
415.13879	1.7
416.14731	5.6
417.15442	34.8
418.15826	1.2
443.16507	0.4
459.05096	0.4
459.16470	0.4
471.16434	0.9
489.17487	0.7
515.17065	0.4
547.19293	1.3
549.20428	0.6
565.20709	27.2
566.20581	1.2
577.20758	4.4
579.21765	0.5
595.21863	2.9
613.22821	16.4
614.22693	0.5
715.26794	0.5
727.26361	1.5
757.27087	0.8
775.28046	33.4
776.27747	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	990.3961
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03430	3.0
70.06619	0.6
71.51290	1.3
77.03916	0.6
78.04720	1.5
79.05482	3.0
81.03419	3.3
81.07033	0.8
82.04198	1.1
85.02900	5.2
89.03909	0.9
91.05472	9.1
93.03398	0.7
93.07027	1.0
95.04948	3.3
97.02876	1.5
97.06529	1.1
98.79102	0.6
103.05452	10.5
105.03381	1.3
105.07032	4.0
106.04166	1.3
107.04936	9.1
109.02856	0.9
110.03644	1.9
111.04436	2.4
115.05451	6.2
117.07019	8.0
118.04153	1.2
119.04946	6.5
119.08565	0.7
120.05698	0.7
121.06496	3.0
122.03603	1.7
123.04430	6.4
124.05198	2.8
125.05988	2.9
127.03965	1.0
127.05413	1.2
128.06178	1.0
129.06982	1.5
131.04916	12.7
131.08563	1.0
132.05727	1.2
133.02840	8.2
133.06493	4.3
134.03548	0.7
135.04414	1.3
135.08018	1.0
137.05974	20.3
138.03091	1.0
139.03908	1.0
141.07039	0.8
142.02615	1.3
143.04921	1.4
144.05695	1.7
145.04884	0.7
145.05182	0.8
145.06468	14.1
146.07185	0.7
147.03271	0.7
147.04402	8.9
147.08025	2.0
148.05203	3.3
149.05956	4.5
151.03905	4.0
151.07530	6.3
152.04677	1.9
153.05417	3.1
155.05983	3.3
156.05653	1.0
159.04405	1.0
159.07982	0.8
160.05185	2.2
161.05965	8.4
162.06607	0.6
163.03854	1.5
163.07526	9.8
165.05530	4.3
167.07030	100.0
168.04124	0.7
168.07359	1.6
169.06477	0.8
171.04324	0.7
171.06534	3.1
171.36209	0.6
172.05214	1.0
173.05975	21.3
174.06670	1.1
175.03912	0.7
175.07512	6.7
176.04677	1.1
177.05463	3.7
177.09128	1.6
178.06229	1.2
179.07024	12.4
181.04945	64.0
182.05426	1.1
185.06010	0.8
187.07538	2.1
188.04698	0.7
188.08293	1.1
189.05496	1.2
189.09058	1.4
190.06274	2.2
191.07024	33.4
192.07457	0.7
193.08667	1.8
195.06554	1.5
195.08096	0.9
201.05476	2.2
201.09013	0.8
203.07018	7.6
204.07883	0.8
205.08583	10.2
207.06461	3.1
207.10129	1.0
209.08052	1.5
211.07529	0.8
213.09056	0.8
217.08565	3.9
219.06436	1.4
219.08260	1.0
219.10143	2.0
220.07335	0.7
221.06087	0.7
221.08022	1.4
223.07588	1.1
224.08237	0.6
227.07036	1.4
229.08664	1.4
231.06506	1.7
231.51750	0.6
233.08061	6.8
235.07446	1.3
235.09653	6.6
237.09187	1.0
241.08490	1.5
245.08101	1.0
247.09682	1.9
249.09111	0.7
253.08545	0.6
255.10190	0.7
257.08081	0.9
259.09659	1.1
263.06635	1.1
263.09131	13.2
265.08524	2.2
265.10944	1.4
267.10184	1.7
269.08069	1.0
269.11777	0.7
277.08456	1.2
279.10022	0.8
280.10889	0.7
281.08148	0.7
282.08884	1.1
283.09702	0.7
287.12543	1.0
291.06534	0.7
291.10156	0.9
292.07196	0.9
293.07779	1.3
294.08765	1.1
295.09552	1.3
297.11276	3.8
299.09146	0.8
307.09418	0.9
309.11090	2.7
313.10587	0.7
315.12289	1.0
323.09250	0.9
325.10733	2.5
327.12283	2.5
329.10153	2.4
329.13675	1.1
337.10751	0.8
339.12170	1.2
347.12796	0.7
353.10162	1.0
355.11893	1.5
357.13290	7.7
367.11884	1.1
369.13309	0.7
370.14023	1.1
371.14963	0.8
385.12735	13.0
386.13113	1.0
387.14349	3.7
399.14420	2.7
415.13852	2.3
416.14667	5.7
417.15421	31.9
418.16013	0.7
425.15588	0.7
449.57690	0.6
535.19373	1.0
547.19592	1.4
549.20227	1.3
565.20648	29.2
566.20959	1.7
577.20630	5.1
595.21704	3.1
613.13116	1.2
613.22803	17.9
614.22687	0.7
628.48395	0.6
715.26855	0.8
727.26587	1.0
775.28015	34.2
776.27692	1.3
913.57410	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	990.3966
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03436	2.3
69.07034	0.3
70.06583	0.4
71.05016	0.4
71.51371	0.7
75.04464	0.5
77.03933	0.4
78.04708	1.8
79.05498	3.2
81.03428	3.4
81.07058	0.6
82.04194	0.9
83.04974	0.3
83.38461	0.3
84.05123	0.3
84.08120	0.3
85.02905	4.8
85.29576	0.3
89.03934	0.5
91.05485	8.4
93.03414	0.7
93.07043	0.7
94.04187	0.5
95.04967	3.4
97.02909	1.9
97.06532	1.1
99.04438	0.6
102.04649	0.4
103.05462	8.6
105.03400	1.0
105.07030	2.8
106.04159	0.9
107.04961	6.8
108.02128	0.5
109.02871	1.1
109.06525	0.6
110.03688	1.8
111.04443	1.8
115.05464	5.1
117.03363	0.5
117.07010	6.7
118.04153	1.3
119.04945	6.6
120.05731	0.4
120.75238	0.4
121.02882	0.5
121.06523	2.2
122.03635	1.4
122.04382	0.3
122.29881	0.3
123.04421	5.7
123.08101	0.4
124.05235	2.8
125.05989	3.2
127.03905	1.0
127.05454	0.7
128.06221	0.7
129.05463	0.3
129.07008	1.4
130.04128	0.5
131.04930	11.4
131.08556	0.7
132.05699	0.7
133.02866	7.9
133.06488	3.9
134.03615	0.6
135.04410	1.5
135.08084	1.0
136.05190	0.4
137.05978	18.8
138.03102	0.6
138.06322	0.5
139.03912	0.4
139.07535	0.7
142.02643	1.0
143.04938	1.0
144.05693	1.1
145.06493	12.3
146.03644	0.8
146.07204	0.6
147.04424	9.4
147.08008	2.1
148.05165	2.7
149.05986	4.1
151.03920	3.5
151.07549	6.1
152.04657	1.8
153.05466	3.1
155.06026	2.7
155.07065	0.6
156.05673	0.7
157.06441	0.9
158.07222	0.4
159.04437	1.0
159.08038	1.5
160.05229	2.0
161.05989	7.2
162.06769	0.8
163.03864	0.7
163.07549	10.1
165.05502	4.0
165.06898	0.5
166.06210	0.5
167.07039	100.0
168.07420	1.4
169.06390	0.5
171.04425	0.5
171.06581	2.9
171.07938	0.5
172.05231	0.8
173.05994	19.7
174.06648	0.8
175.03946	0.5
175.07571	5.4
176.04738	1.0
176.08340	0.4
177.05467	3.2
177.09108	0.7
178.06308	0.4
179.07037	11.6
181.04958	67.7
182.05370	1.3
183.06451	0.7
185.05969	0.5
187.03804	0.4
187.07527	2.1
188.04675	0.7
188.08276	0.5
189.05426	1.3
189.09109	1.6
190.06253	2.2
191.07027	31.9
192.07401	0.6
193.04930	0.6
193.08611	1.8
195.06490	1.8
195.08043	0.8
197.05997	0.6
197.08087	0.4
198.06721	0.9
199.07565	0.8
201.03827	0.4
201.05371	2.2
201.09082	0.7
202.06180	0.8
203.07025	7.9
203.08786	0.6
204.07663	0.4
205.06631	0.8
205.08597	11.2
207.06502	1.6
207.08266	0.6
207.10144	1.3
209.06149	0.6
209.08073	2.0
209.09808	0.5
215.07048	1.2
217.08647	3.9
218.05688	0.4
219.06429	1.7
219.10054	2.6
220.07269	0.5
221.06149	0.6
221.08107	1.4
222.06758	0.7
223.07513	1.2
223.09459	0.4
225.09244	0.6
226.06194	0.4
227.07098	0.6
229.08606	1.2
231.06509	1.7
233.08063	8.2
234.06696	0.7
234.08832	0.5
235.07475	1.0
235.09622	8.1
235.11894	0.7
236.08180	0.6
237.09103	1.0
239.07106	0.5
239.10637	0.6
240.07829	0.7
241.08633	1.3
245.08098	1.3
247.07509	0.8
247.09695	1.5
248.08363	0.6
249.05348	0.4
249.09186	0.5
250.06270	1.0
251.06837	0.7
251.08981	0.4
252.07813	0.8
253.08443	0.7
255.10141	1.8
257.08160	0.7
259.09735	0.8
263.07053	0.7
263.09149	12.5
264.07721	0.8
265.08304	2.0
265.10806	1.4
267.06506	0.4
267.10147	1.5
269.08069	0.9
273.11517	0.4
275.09174	0.8
276.07837	0.5
277.08633	1.3
278.08911	0.4
279.06479	0.5
279.10129	1.2
281.08170	0.8
281.11545	0.4
283.09747	0.6
291.10162	0.6
293.08060	1.5
294.08701	0.5
295.09558	1.1
297.11179	3.4
299.09171	1.0
299.12729	0.4
301.10873	0.4
307.09415	0.8
308.10495	0.4
309.11276	2.7
310.08255	0.9
311.09006	0.9
311.12524	0.4
312.09644	0.5
314.11395	0.4
315.12210	1.0
321.11273	0.7
323.09036	0.5
323.12756	0.5
324.09985	0.6
325.10703	2.9
326.11450	0.7
327.12164	3.4
329.10138	2.7
329.13840	0.8
330.10992	0.4
337.10571	0.7
339.12228	1.3
342.10913	0.7
343.11853	0.7
349.10571	0.4
351.08664	0.4
351.12518	0.5
352.09216	0.4
353.10114	0.7
353.13947	1.0
355.11740	1.3
357.13293	7.3
358.13632	0.5
359.14688	0.5
367.11560	0.9
369.13257	1.3
371.14944	0.6
375.14246	0.5
381.13303	0.8
383.14661	0.8
385.12802	14.5
385.17728	0.8
386.13232	1.0
387.14374	3.8
397.12585	1.2
398.69058	0.4
399.14410	3.3
403.13892	0.5
413.15942	0.4
415.13879	1.7
416.14731	5.6
417.15442	34.8
418.15826	1.2
443.16507	0.4
459.05096	0.4
459.16470	0.4
471.16434	0.9
489.17487	0.7
515.17065	0.4
547.19293	1.3
549.20428	0.6
565.20709	27.2
566.20581	1.2
577.20758	4.4
579.21765	0.5
595.21863	2.9
613.22821	16.4
614.22693	0.5
715.26794	0.5
727.26361	1.5
757.27087	0.8
775.28046	33.4
776.27747	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	986.3868
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03423	1.4
70.06559	0.5
71.05016	0.4
71.50877	0.4
75.04472	1.3
77.03925	0.4
78.04702	1.3
79.05492	2.0
81.03400	1.4
81.07048	0.4
82.04191	0.4
85.02898	3.9
89.03896	0.7
91.05481	5.8
93.03409	4.5
93.07036	2.3
95.04947	2.8
97.02912	0.8
97.05937	0.3
97.06536	1.4
103.05460	8.2
105.03399	0.6
105.07030	3.5
106.04166	9.6
107.04956	4.8
109.06541	0.8
110.03651	0.7
111.04441	0.8
115.05439	2.4
117.03382	0.7
117.07027	1.6
118.04153	1.7
119.04948	1.1
119.08571	0.4
120.05750	0.4
121.06506	11.2
121.07386	0.6
123.04427	2.5
123.08065	0.4
124.05207	0.8
125.05973	4.0
127.03904	0.8
128.06270	0.4
129.07007	0.7
130.04153	0.6
131.04927	8.4
131.08562	0.8
132.05740	0.7
133.02815	0.7
133.06487	3.2
134.03638	1.6
135.04391	1.1
135.08063	0.9
137.05975	2.6
138.03186	0.4
138.06682	0.4
139.03917	0.4
139.07541	0.6
141.07047	0.4
142.02602	0.9
143.04924	0.4
144.05632	0.6
145.02829	0.9
145.04910	0.3
145.06491	3.2
146.03560	0.6
147.04388	0.6
147.08041	1.1
148.05177	4.6
149.05980	19.9
151.03917	1.2
151.07529	1.4
152.04675	0.5
152.08316	0.5
153.05473	1.7
153.09088	5.3
157.06535	0.7
159.04373	0.4
159.08055	0.7
160.05168	0.5
161.05978	3.7
162.07689	0.5
163.03905	2.4
163.07533	9.9
164.04285	0.3
165.01892	0.3
165.05447	1.1
165.09120	0.6
166.06207	0.4
167.07034	26.7
168.07416	0.5
171.06499	1.0
173.06003	4.9
174.06685	0.4
175.07515	1.6
176.04747	0.8
177.05466	13.5
177.08945	0.4
178.05896	0.5
179.07054	1.0
181.04955	31.6
181.08557	10.7
182.05237	0.5
183.06534	0.5
187.07512	2.0
189.05446	0.5
189.09082	0.5
190.06219	1.0
191.07030	35.6
192.07520	0.8
193.04985	0.6
193.08609	3.3
195.06526	2.2
197.08061	0.5
201.05472	1.0
203.07021	1.6
205.08582	3.2
207.06454	1.7
207.10187	1.0
209.08087	100.0
210.08453	1.8
213.05272	0.3
215.07040	0.4
217.08609	2.2
219.10117	2.5
221.08034	1.1
225.07463	0.6
233.08096	3.6
235.07515	0.6
235.09621	3.1
236.08498	0.6
245.08115	1.3
263.09174	10.5
265.08243	0.5
265.10718	1.1
267.10117	1.8
279.10007	0.4
281.07883	0.4
293.07938	0.5
295.09451	0.6
297.11246	0.7
299.05518	0.7
299.09091	0.5
307.09531	0.5
313.10861	0.3
325.10754	0.8
329.13892	0.4
329.61166	0.3
331.11856	0.6
337.10513	0.4
339.12302	0.7
341.12271	0.9
343.11682	0.4
357.13330	2.7
359.15109	0.3
367.11768	0.8
369.13287	0.9
381.13577	0.5
385.12747	4.8
387.14343	1.8
396.41623	0.3
399.14392	2.5
401.15958	0.8
402.17996	0.3
417.15424	22.8
418.15771	0.6
579.20734	2.4
597.23212	0.9
609.22955	1.1
626.80316	0.4
663.21948	0.3
741.15344	0.4
741.26074	4.4
986.37756	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99809	0.3
70.76376	0.2
70.76701	0.1
76.47733	0.1
89.03933	0.1
107.04949	0.2
135.04410	1.1
137.02361	0.3
137.05928	0.1
137.54919	0.1
147.04433	0.2
153.01817	2.4
161.02359	0.4
165.05595	0.2
169.16830	0.1
169.56049	0.1
171.02881	0.3
179.03479	0.2
185.05695	0.1
220.79143	0.1
229.69391	0.1
241.04974	0.4
269.04419	0.4
287.05493	100.0
288.05826	2.5
352.65738	0.1
449.10803	8.5
450.11172	0.3
455.58401	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	967.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05498	3.9
68.02650	0.8
69.03428	5.2
71.01357	3.6
71.04989	1.5
73.02904	0.6
77.03928	1.3
79.01871	1.9
79.05491	18.8
81.03413	10.2
81.07053	1.6
83.01333	0.5
83.04985	4.0
85.02895	3.0
87.04458	0.6
91.05473	8.1
93.07040	9.6
94.04199	1.3
95.01318	0.8
95.04963	22.2
95.08604	0.9
97.02895	4.6
97.06519	0.7
98.20804	0.9
99.04462	1.1
103.03962	2.3
103.05461	13.7
105.03392	1.1
105.04523	1.9
105.07027	2.2
107.04950	81.1
108.05305	0.5
109.02873	92.0
109.06501	7.1
110.03186	0.8
111.04433	6.5
111.08063	0.6
115.05398	0.4
117.07001	0.5
119.04984	1.1
121.02852	0.6
121.06502	20.3
122.03657	0.4
123.00857	0.4
123.04424	7.6
123.05225	0.7
125.02344	8.3
125.05974	1.1
127.03899	3.9
131.04930	9.4
131.05844	0.4
133.02861	1.9
133.06471	0.6
135.04399	6.4
137.05984	4.3
139.03896	68.1
139.07489	1.9
141.05496	2.5
145.04935	1.3
145.06470	0.5
147.04346	0.7
149.05974	32.6
151.03897	22.7
151.05138	0.9
153.05478	3.8
157.04959	0.8
159.04401	7.3
161.05890	0.4
163.03938	0.5
163.07507	0.9
165.05469	100.0
166.05785	1.4
167.03368	0.8
167.07027	29.9
173.04497	0.6
173.05949	0.5
175.03868	1.2
177.05461	78.7
178.05803	0.9
179.07094	0.6
181.04927	1.0
181.08620	2.2
183.06526	1.3
187.07512	0.4
189.05380	0.7
191.07036	6.0
193.04993	0.5
195.06512	14.9
195.08264	1.0
203.07019	0.6
207.06467	0.5
209.08081	88.0
210.08466	1.0
227.09138	10.1
251.09038	0.6
287.05270	1.0
288.05978	0.6
295.07965	0.9
301.09283	0.9
303.08615	0.7
321.09512	2.2
327.10712	0.5
335.11594	0.4
339.10678	3.9
353.12323	0.6
371.13242	1.1
455.40149	0.4
547.17676	0.5
579.20477	0.6
967.35419	0.6
970.17340	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	964.6198
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	54.7
68.53524	4.9
69.03423	12.5
69.07059	19.7
71.04971	6.5
71.08628	29.1
71.44789	10.3
79.05498	36.6
81.03393	11.2
81.07045	64.8
83.04963	9.1
83.08598	21.0
85.02914	13.9
85.10181	17.3
91.03951	6.1
91.05484	28.0
93.07032	36.3
95.04962	6.6
95.08602	36.1
97.02859	7.4
97.06510	11.7
97.10134	9.1
105.07034	19.4
107.08575	17.4
109.02859	5.3
109.06506	5.4
109.10162	25.7
117.07026	15.0
119.08579	12.0
121.10120	14.5
131.08513	11.5
133.10114	15.6
135.11668	9.3
145.10118	13.9
147.11679	5.2
149.09598	10.0
149.13191	7.0
157.98738	4.7
159.11682	9.4
177.12773	7.1
195.13707	5.4
201.20503	4.6
222.27965	4.9
227.12752	6.3
229.14314	7.2
255.15944	17.9
257.19165	6.6
269.17517	37.2
275.20062	25.6
280.37485	4.8
313.27377	98.7
334.10321	6.4
349.23782	31.8
467.26453	5.5
475.69397	5.5
493.39026	23.9
507.40448	100.0
547.43341	7.8
587.46808	37.6
605.47247	10.4
656.50415	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	962.5722
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	6.4
69.07066	10.8
70.79830	1.1
71.04974	0.5
71.08624	1.9
79.05502	2.8
79.05892	0.6
81.07049	7.6
83.08614	8.3
85.06544	0.5
85.10152	1.4
91.05509	0.5
93.07045	4.0
95.08608	7.7
97.06524	1.5
97.10155	5.4
98.98487	0.4
107.08595	3.2
109.10161	3.4
111.08096	0.7
111.11732	1.8
121.10145	4.8
123.11666	1.1
125.09611	0.6
133.99838	0.4
135.11699	3.3
137.13264	0.6
139.11182	0.8
149.13235	1.2
161.08685	0.4
163.14763	0.6
165.16354	0.5
211.57907	0.4
216.06319	0.6
247.24515	0.6
265.25153	0.9
273.03452	0.4
308.29501	3.6
339.28915	100.0
340.29340	1.9
462.29636	0.4
480.30734	3.3
929.46698	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	964.6194
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	19.8
69.03423	4.8
69.07065	17.7
69.32740	24.2
71.04984	3.1
71.08627	18.1
73.02872	2.6
79.05490	17.9
81.03400	5.6
81.07050	27.5
83.04976	6.6
83.08616	10.4
85.02908	6.7
85.10182	12.1
91.05489	14.1
93.07037	17.6
95.04964	2.9
95.08614	20.1
95.19222	2.2
97.02892	5.0
97.06546	3.6
97.10170	8.0
99.04468	2.6
105.07028	9.1
107.04951	5.7
107.08606	13.0
109.10133	10.7
109.40084	2.5
117.07017	7.5
119.08588	6.8
121.10136	3.9
123.08041	2.7
123.11707	4.8
125.09663	3.7
127.03907	3.0
131.08546	9.7
133.10104	7.4
135.08037	2.5
135.11638	4.0
140.55428	2.3
145.10182	5.5
147.11664	5.7
149.09583	4.1
149.13268	3.0
159.11665	3.9
161.13303	2.5
173.13313	2.6
175.70778	2.3
213.44424	2.4
227.12782	8.1
229.14333	5.4
239.23709	4.1
257.18945	3.4
267.15741	2.7
269.17566	13.8
275.20108	18.1
287.54349	2.7
291.19733	2.6
306.24240	2.5
313.27368	100.0
314.27774	2.6
349.23746	23.5
351.52945	2.7
424.70834	2.7
453.02118	2.6
467.37219	5.9
489.48129	2.7
492.82486	2.4
493.38876	17.3
507.40427	79.3
587.46588	40.8
605.47540	7.7
714.74408	2.5
744.04510	2.7
862.74988	3.0
886.73376	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	961.3444
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	5.0
69.03086	0.8
69.03429	9.1
70.02956	0.6
70.56979	0.5
70.57308	1.0
71.01334	0.5
71.04972	0.8
73.02924	1.3
77.03930	1.3
78.04728	0.5
79.05491	6.3
80.05013	0.8
81.03417	5.8
81.07048	1.5
81.97036	0.4
83.01328	1.2
83.04966	0.6
85.02904	16.2
87.04462	1.3
91.05476	5.4
93.03362	0.7
93.07034	0.7
94.04149	1.4
94.06561	0.8
95.04964	19.9
97.02888	7.4
99.04428	0.9
103.03954	0.6
103.05470	1.7
105.03385	2.8
105.04505	1.7
105.07048	2.5
106.06525	0.7
107.04938	2.5
109.02845	2.6
109.06518	2.6
111.04435	1.1
115.05506	2.7
117.05758	0.5
117.06993	1.1
118.06531	1.0
119.04922	0.9
119.08564	0.8
120.04445	1.1
120.08084	0.7
121.02860	0.9
121.06476	1.3
122.03663	1.0
123.04436	9.9
127.03899	2.4
128.06194	1.8
129.07040	3.4
130.06529	12.5
131.04935	2.2
131.08542	1.0
132.04419	1.0
132.08092	4.6
133.02890	3.2
133.06485	2.1
135.04425	2.6
137.05983	5.3
138.05534	0.7
139.03908	8.5
140.04948	0.7
141.05426	1.4
141.06978	1.1
142.06523	2.5
143.04956	0.6
143.07341	1.3
143.08557	0.9
144.05717	0.5
144.08095	1.7
145.04950	0.9
145.06505	1.5
146.05991	4.6
147.04417	1.7
147.08026	1.5
149.02373	1.0
149.05968	1.0
151.03906	10.8
152.03412	0.7
152.06168	0.6
153.07013	1.8
154.06531	1.4
155.07137	0.6
155.08569	0.7
156.06850	1.3
156.08083	0.9
157.06450	2.4
157.07622	9.0
158.06006	5.3
158.08333	1.2
158.09610	0.6
159.04437	1.9
159.09175	19.9
160.06381	0.5
160.07547	2.3
161.05971	1.5
163.03972	0.5
165.05478	100.0
167.03436	0.9
167.05963	0.6
167.07204	2.2
167.08531	1.0
168.06857	0.6
168.08104	1.3
169.06505	1.3
169.07617	31.6
170.06017	1.1
170.08330	2.0
171.07979	1.1
171.09244	3.1
172.07529	0.9
173.06000	0.9
175.03857	1.7
175.07486	1.3
175.08815	3.4
176.04716	3.6
177.05460	1.0
179.06981	0.9
180.08096	2.3
181.05066	0.6
181.06465	1.9
181.10107	0.6
182.08403	1.9
182.09698	1.5
183.06709	2.8
183.09189	1.5
184.07541	1.4
185.05910	2.5
185.07356	4.8
186.09232	0.8
187.03946	1.1
187.08665	2.1
188.07079	1.5
189.05455	2.9
190.07635	0.6
191.07059	1.5
192.08092	1.2
193.08789	2.0
194.09665	2.1
195.05507	0.6
195.09221	1.0
196.07610	1.1
197.07272	0.7
197.10892	1.0
199.07591	1.9
202.07437	1.9
203.03410	1.7
203.08218	11.5
204.08092	1.0
205.10255	1.2
206.09789	1.2
208.07581	0.7
208.09904	0.5
209.06009	1.4
209.10919	1.1
210.09109	1.3
210.73621	0.5
211.08600	1.6
211.12282	0.8
213.06627	9.3
215.03426	0.5
215.08257	6.1
216.08803	0.6
217.04961	2.1
217.08609	1.6
218.09663	1.0
219.09267	0.6
220.07582	1.0
221.09219	3.7
221.10988	0.6
227.06976	2.8
227.11728	0.5
230.09692	1.2
231.07651	3.5
233.09190	2.8
234.09178	1.9
235.05991	1.2
235.08417	0.7
237.05434	1.2
237.10013	0.6
238.08641	4.8
239.06946	0.6
244.11226	0.6
245.08099	0.7
245.10620	0.9
246.09158	1.6
247.08652	0.8
247.12337	1.1
248.07021	1.2
248.10724	0.7
250.08762	0.7
251.10919	0.7
253.10004	1.2
255.06564	1.4
255.11365	5.2
256.11459	0.7
257.08514	0.8
257.11023	0.6
258.09125	1.5
259.09415	0.6
260.06995	0.6
260.11023	0.7
261.09552	0.8
262.08670	3.0
264.10007	1.0
265.04895	0.7
265.09433	1.1
269.08182	0.8
270.09100	1.6
271.09381	0.6
271.12415	0.9
272.10550	0.6
273.09930	0.9
273.12421	2.0
274.08627	1.8
275.09024	1.0
275.11823	0.9
277.07068	1.4
277.09952	2.1
279.10278	1.7
280.09467	0.6
283.06116	0.7
283.09875	0.6
284.10742	0.7
285.07803	0.6
286.08768	0.7
287.09030	1.4
288.10287	1.2
289.09610	1.5
291.11301	3.1
296.10406	0.5
297.07782	0.9
298.08728	1.6
299.08878	0.8
299.11899	1.2
300.10089	0.5
301.09863	0.7
303.11435	0.6
305.12811	1.2
307.09943	1.9
313.13528	0.5
314.08038	0.7
314.11539	1.0
315.08542	0.7
315.11838	0.7
316.09732	1.6
317.09125	0.8
317.12921	0.9
318.11151	0.9
319.11249	0.8
321.11075	0.9
324.10110	0.5
325.10361	1.2
329.09824	0.8
331.10422	0.7
335.10101	3.2
335.13864	0.9
339.09262	0.9
339.12802	1.0
341.13379	1.0
343.11014	0.8
343.14569	0.9
346.10660	1.3
347.11047	1.4
348.12137	0.6
349.11282	1.2
353.10852	2.3
355.11230	0.9
358.10437	0.7
359.14261	1.0
363.13425	0.5
365.11371	0.7
366.11517	0.9
367.12158	3.9
368.13141	0.8
369.10635	2.4
370.11105	2.1
376.11771	1.6
381.13297	1.9
385.12772	1.9
387.13635	1.2
391.16843	0.7
393.18176	1.2
395.13556	0.7
399.14441	2.0
401.15167	0.8
403.12469	0.6
405.14453	1.3
409.17816	0.6
417.15543	9.8
419.15973	2.1
423.15625	2.4
429.14679	0.7
434.12109	0.8
435.15918	0.7
437.17102	7.6
439.13028	0.6
444.14624	0.7
455.18140	8.7
457.13391	0.6
460.16501	0.7
473.16742	1.3
476.17010	1.4
479.14307	0.7
499.15082	0.6
505.19101	0.6
509.16736	2.6
517.15955	1.8
525.20190	1.0
526.19464	1.1
535.16949	1.5
541.19891	0.6
543.21356	1.2
549.18433	3.1
551.18073	1.0
555.23877	0.9
557.22412	0.8
559.20587	0.7
567.19574	1.4
569.19177	1.8
575.23950	0.6
583.20709	0.9
587.20154	4.8
597.20825	1.3
598.21472	4.8
599.22284	4.7
601.21307	5.0
602.20648	3.3
605.21857	2.6
617.23413	20.0
617.33527	1.1
618.23199	1.1
619.22833	9.0
635.22528	1.4
637.23621	3.5
661.23889	0.8
666.22540	0.6
679.22675	1.7
683.24371	1.1
694.23315	1.6
697.22357	1.6
705.26147	1.4
711.24072	5.7
717.28314	0.7
719.28186	1.7
729.24377	1.0
737.28949	1.3
749.25183	5.2
753.28943	0.6
761.27283	1.8
763.26898	3.8
767.26624	4.1
779.27905	1.8
781.28076	23.7
782.28113	1.1
799.29370	11.1
871.30493	1.1
899.33740	1.2
911.30463	0.5
937.82355	0.6
943.33356	14.9
944.33441	1.0
961.34381	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	954.6144
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	71.8
69.03419	2.3
69.07072	14.7
69.84175	8.9
73.02918	5.5
77.34592	1.3
79.05493	46.3
81.03444	2.9
81.07053	74.2
83.04966	1.8
83.08592	7.9
85.02901	17.9
85.06528	1.8
91.03938	9.0
91.05481	31.4
93.07038	55.9
95.04955	5.1
95.08607	55.2
97.02888	12.7
97.06564	2.9
97.10153	2.8
101.63557	1.8
104.99160	1.5
105.04527	1.7
105.07027	23.0
107.08600	30.2
109.10163	23.4
117.07017	8.0
119.08590	20.6
121.10144	25.3
123.11711	9.3
127.03905	4.8
131.08554	15.0
133.10130	20.3
135.11691	15.1
137.13264	2.7
142.58110	1.6
143.08568	3.4
145.04930	6.0
145.10112	11.6
147.11688	12.6
149.13289	11.8
157.10123	2.9
159.11676	12.6
161.13277	6.5
163.06029	8.1
163.14819	4.9
171.11674	3.6
173.13272	9.9
175.14784	4.6
177.16414	3.9
185.13242	2.1
187.14790	4.6
198.51035	1.6
199.14900	2.7
201.16284	1.7
241.19550	4.3
243.20927	7.7
259.20627	9.6
261.22202	22.2
263.23660	1.9
317.24759	3.9
333.24170	8.1
335.25793	100.0
336.26099	2.4
337.27347	15.8
342.45868	1.6
472.53094	1.7
521.43738	3.4
539.44537	1.7
595.47211	20.5
596.46979	1.9
613.48328	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	938.5615
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03937	2.1
67.05502	22.1
69.07066	6.3
69.55929	0.9
69.56340	1.1
71.04983	1.0
79.05488	10.5
81.07053	22.8
82.07386	0.3
83.04971	0.9
83.08615	4.5
84.27209	0.3
85.06516	0.9
91.05477	15.8
93.07040	13.0
93.07643	0.5
95.04952	1.1
95.08602	20.6
97.06532	2.6
97.10155	1.4
99.08080	0.7
105.07020	3.7
107.08582	7.0
109.06516	0.4
109.10146	9.6
111.08089	2.0
111.11708	0.4
117.07008	1.2
119.04935	20.0
119.08569	3.7
120.05279	0.4
121.10139	9.7
123.08044	0.5
123.11710	2.6
125.09641	0.6
129.07005	0.3
131.08568	2.7
133.10118	6.1
135.11685	5.7
137.09566	1.2
137.13200	0.9
139.11177	0.7
145.10120	2.1
147.04401	100.0
147.11687	2.4
148.04738	0.8
149.13275	1.7
150.70059	0.3
151.11169	0.9
159.11717	1.4
163.11183	0.5
165.05493	1.6
165.12709	0.4
173.13220	0.7
187.14839	0.7
215.18008	2.3
221.08057	0.4
233.19073	1.8
245.84926	0.3
251.19971	1.7
277.44617	0.4
279.74838	0.3
307.22647	6.1
309.24432	0.4
323.22107	1.1
325.23706	22.7
413.01123	0.3
453.26373	1.3
461.32965	0.3
465.55463	0.3
471.27399	13.3
489.28448	2.5
507.37582	0.3
539.40936	0.8
557.41937	8.7
558.42200	0.4
575.43030	39.2
576.43256	0.9
593.44269	0.7
620.43329	0.3
635.31842	0.4
721.46674	0.7
739.47687	5.0
903.52124	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.5856
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	2.1
69.03432	2.4
69.07077	0.7
71.01358	0.5
71.04990	0.4
71.08624	0.9
73.02921	3.6
79.05489	1.2
81.03414	1.3
81.07058	1.7
83.08633	0.6
83.62938	0.3
85.01491	0.3
85.02905	5.0
85.10200	1.0
87.04463	0.5
91.03953	4.0
91.05495	0.7
93.07043	1.4
95.08609	2.2
97.02900	4.8
99.04478	0.8
101.02416	1.4
104.99271	3.6
104.99826	0.3
105.07098	0.5
107.08612	0.9
107.96734	0.4
109.02896	0.9
109.10175	1.0
115.03947	0.4
119.08583	0.4
121.10152	0.5
124.93768	0.5
126.23212	0.3
127.03918	1.7
133.10223	0.4
135.11728	0.7
145.04913	0.4
164.93054	0.5
185.04352	0.8
186.99529	1.9
198.97479	1.1
203.05359	0.7
243.08415	1.8
248.31998	0.3
258.67090	0.3
268.99893	2.0
286.99042	1.6
313.27457	0.4
347.09592	2.2
363.09137	0.5
365.10995	0.8
393.80652	0.3
405.13712	5.5
433.00592	0.8
437.20715	0.3
497.31006	4.5
519.29315	4.8
659.36047	4.8
681.34521	6.0
740.69647	0.3
775.53558	1.1
877.47791	0.9
937.58612	100.0
938.58997	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	938.5616
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03920	1.9
67.05499	26.1
69.07066	7.2
69.72887	0.6
71.03291	1.3
71.04990	0.6
71.40042	0.5
79.05487	13.6
79.81736	0.5
81.07047	25.5
83.05003	0.7
83.08615	5.6
85.06519	1.6
90.96014	0.6
91.05474	17.7
93.06477	1.1
93.07037	12.5
95.04948	1.6
95.08598	23.2
97.06513	2.8
97.10163	1.8
99.08109	0.7
105.07027	4.8
107.08576	8.8
109.10147	9.2
111.08060	2.5
112.52566	0.7
117.07004	1.8
119.04932	25.3
119.08558	4.0
120.05324	0.6
121.10142	10.9
123.11689	3.6
131.08565	3.2
133.10126	6.9
135.11679	6.2
137.09592	1.2
145.10120	2.0
147.04395	100.0
147.11642	1.4
148.04665	0.6
149.13237	1.1
151.11211	1.7
159.11765	1.5
165.05457	1.3
173.13284	1.3
215.17967	1.8
233.19012	2.5
234.36000	0.6
251.20097	2.3
279.61136	0.6
303.38519	0.6
307.22598	8.6
307.25992	0.8
323.22198	1.3
325.23694	30.8
347.27322	0.7
453.25677	1.2
471.27383	13.2
489.28503	3.2
539.41119	0.7
557.42084	10.1
575.43030	41.3
576.43243	1.7
739.47601	4.6
831.34045	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	936.5547
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	27.6
69.03429	1.6
69.07073	7.7
71.04980	1.8
71.08626	9.1
71.32141	1.8
79.05492	20.3
80.86150	1.1
81.03416	37.6
81.06599	2.2
81.07056	31.7
83.04952	2.7
83.08617	11.2
85.02904	3.6
85.06548	1.6
85.10179	5.7
90.35082	1.1
91.03947	2.3
91.05485	17.5
93.06486	2.0
93.07043	22.1
95.04971	14.7
95.08605	25.8
97.02882	2.9
97.06532	3.4
97.10188	5.3
98.98462	4.3
105.07034	12.0
107.04950	2.9
107.08594	13.4
109.06514	1.8
109.10152	12.0
111.08080	3.4
113.98438	1.0
117.06976	3.6
119.08584	11.3
121.06476	2.6
121.10143	11.0
123.04437	1.4
123.08080	2.0
123.11710	5.4
124.01579	1.2
125.09605	2.2
127.03889	1.5
128.76173	1.1
129.06966	4.9
131.08557	9.4
133.06432	1.7
133.10141	6.2
135.08043	1.3
135.11691	6.4
137.09685	2.1
137.13245	2.1
142.02631	1.0
143.08560	1.9
145.10121	6.0
147.08032	2.3
147.11676	7.1
149.09644	1.7
149.13257	5.7
155.01027	4.1
157.10115	5.4
159.11722	3.6
161.09679	1.3
161.13243	2.7
163.06006	3.2
163.11169	1.9
163.14799	2.0
171.11699	1.6
173.13255	2.6
175.11192	4.0
175.14952	1.2
184.07309	1.4
187.14786	1.7
189.11240	2.2
191.10704	1.2
193.12282	10.1
216.06306	2.9
220.84198	1.0
227.12805	3.0
235.13382	1.9
239.23639	1.9
243.21107	3.1
261.22147	11.1
267.15936	38.3
282.27972	11.9
301.25272	2.3
309.17004	2.3
313.27368	100.0
314.27795	2.4
317.24698	1.8
335.25818	44.5
393.23990	10.4
432.86234	1.2
435.32587	1.2
436.28207	25.0
453.33533	3.3
454.29312	31.3
455.29257	1.7
527.37347	32.5
528.37695	1.5
545.30542	2.0
545.38354	28.1
559.40002	1.5
569.37994	5.2
607.92212	1.2
611.38702	1.3
635.38855	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03917	0.6
67.05506	2.2
69.03426	5.3
69.69336	0.5
69.69745	1.2
71.01350	1.3
71.04980	1.2
77.03928	0.9
77.50395	0.4
79.05490	8.6
81.03410	5.0
81.07065	2.2
83.01308	0.3
83.04984	0.7
85.02896	2.5
91.05473	3.1
93.07037	3.6
95.01333	0.9
95.04964	53.3
96.05296	0.3
97.02302	0.6
97.02890	9.5
97.06509	0.6
98.20835	0.6
99.04443	1.2
103.05464	5.8
105.03394	0.9
105.04503	1.0
105.07038	0.5
107.04951	50.4
108.05280	0.6
109.02876	36.6
109.06506	2.8
121.06499	10.6
123.04424	13.7
123.05342	0.5
125.02346	45.4
125.05977	2.9
126.02666	0.5
127.03908	4.1
131.04926	3.9
133.02855	2.2
133.06473	0.5
135.04405	4.9
145.04950	1.3
147.04396	0.7
149.05974	19.2
151.03896	100.0
152.04242	1.0
153.05457	10.7
159.04427	3.2
167.03404	0.7
167.07068	1.7
169.04974	0.9
175.03905	0.9
177.05466	37.4
178.05881	0.7
179.07085	0.4
189.07559	0.8
193.05031	0.3
195.06517	81.9
196.06837	1.2
213.07571	22.5
214.07848	0.4
215.07109	0.4
269.06409	0.7
295.04974	0.3
295.07980	2.0
303.08539	1.1
313.09216	0.4
321.09714	3.3
339.10727	10.5
353.10199	0.3
357.11783	15.0
358.12027	0.4
365.11932	0.4
375.12732	0.7
384.95679	0.3
455.43820	0.3
471.13004	0.3
481.13837	0.4
489.13821	1.4
499.93579	0.3
507.14969	0.5
515.15131	0.9
533.16211	1.3
551.17236	1.2
564.03937	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	926.5821
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	4.9
67.05502	100.0
69.03422	5.7
69.07066	22.4
71.04974	3.9
71.51419	2.3
73.02901	7.5
79.05486	82.3
81.03427	1.8
81.07050	94.7
83.04995	3.0
83.08605	13.6
85.02902	32.9
85.06541	3.4
91.03944	20.1
91.05476	50.7
93.07039	95.0
95.04984	8.9
95.08601	68.4
97.02892	15.1
97.06527	4.7
97.10155	5.2
99.04430	2.3
99.08068	4.1
103.05460	1.6
105.07022	37.1
107.08588	42.1
107.09312	2.3
109.02879	2.6
109.06527	2.9
109.10152	32.3
111.08069	3.7
115.05422	1.6
117.07005	13.9
118.98631	1.6
119.08575	33.7
121.10133	35.1
123.08057	3.2
123.11706	10.3
125.09605	2.5
127.03905	9.0
129.06995	5.0
131.08559	20.8
133.10124	29.4
135.08165	1.7
135.11682	28.6
135.12633	1.0
137.09622	2.3
137.13248	4.3
143.08539	4.4
145.04956	9.1
145.10127	19.8
147.11674	21.3
149.13274	15.6
157.10114	3.9
159.11664	16.9
161.13252	8.1
163.06024	10.9
163.11185	2.0
163.14803	5.8
169.10165	1.9
171.11699	6.3
173.13226	13.5
175.14851	5.0
177.12698	1.5
177.16383	2.1
185.13232	3.9
187.14803	7.8
189.16368	4.3
199.14893	1.8
201.16344	2.5
203.17969	3.3
203.36754	1.6
204.10251	2.0
205.19414	2.0
213.16420	6.6
215.17918	16.3
222.11256	6.5
231.17400	8.0
233.19016	15.1
241.19385	3.7
243.21010	4.3
259.20584	7.5
261.22131	14.5
305.21121	4.9
307.22650	59.3
309.24170	8.4
315.23322	1.8
317.24768	3.4
320.09055	8.1
333.24231	4.7
333.28076	1.8
335.25775	88.0
337.27444	9.8
341.21191	1.6
475.39963	2.0
493.40280	5.3
511.41061	1.8
567.44153	21.7
585.36127	2.6
585.45068	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	919.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03944	2.7
66.04178	1.1
67.05495	4.5
68.02622	1.2
69.03431	8.1
70.02929	1.0
70.06583	1.6
71.01360	3.1
73.02894	1.4
74.02451	1.0
76.03999	1.8
79.01849	1.6
79.05492	9.7
80.05027	2.5
81.03418	8.3
81.07076	2.5
83.01355	1.2
83.04986	3.9
84.04489	5.9
85.01146	5.8
85.02901	11.2
86.00642	6.4
86.99052	25.6
87.02687	1.9
87.04452	1.1
88.02209	2.9
91.05470	9.2
93.07052	2.8
94.04214	1.3
95.04963	15.9
95.05560	1.0
96.04496	1.8
97.01134	1.9
97.02889	7.5
98.21561	1.5
99.00921	1.0
99.02704	1.8
99.04461	1.3
100.02197	1.0
102.03780	2.9
102.05542	6.2
103.03983	1.2
103.05465	7.6
105.03394	2.5
105.07030	2.9
105.95059	1.0
106.06544	9.5
107.04950	16.8
107.05635	1.3
108.04495	2.4
108.08109	1.4
109.02878	16.7
109.03593	1.2
109.06530	3.8
110.99049	3.4
111.02671	4.9
111.04420	7.3
112.03970	4.4
116.01669	16.3
117.38358	0.9
119.04969	3.0
120.04433	1.4
121.06509	6.4
122.03668	1.2
123.04440	6.5
123.22752	0.9
124.03948	7.6
125.02337	6.4
125.04244	2.2
126.05507	2.3
127.03925	4.3
130.05011	9.2
131.04939	6.6
132.08075	1.6
133.02946	2.0
133.06502	1.9
135.02646	12.4
135.04425	3.3
136.03996	1.8
137.00581	1.7
137.02902	1.0
137.04289	1.2
137.06001	4.1
138.03725	1.0
138.05519	3.3
139.02188	2.9
139.03899	100.0
141.05447	9.0
143.01643	3.8
143.02792	3.7
144.01128	3.2
145.05032	1.5
146.06053	1.4
147.04442	2.8
148.03928	3.0
148.07605	1.3
149.02321	0.9
149.05994	10.6
149.97289	1.0
150.05521	1.9
151.02124	1.2
151.03914	11.1
152.07118	1.2
153.03706	3.0
153.05545	1.7
155.01630	1.2
156.04814	2.0
159.04446	7.0
160.00696	2.5
162.02145	4.4
163.02126	11.2
164.03482	3.1
164.05765	1.1
164.07056	7.4
165.00105	3.1
165.05473	76.2
166.05783	1.0
166.08731	1.6
167.03400	1.7
167.07092	3.6
171.01028	1.3
171.02345	1.1
171.07825	1.0
174.05519	1.4
175.03966	2.3
176.03433	16.2
176.07060	2.1
177.05466	15.4
178.08600	1.1
180.01146	1.3
181.03261	3.2
181.04977	3.1
182.02753	4.4
182.04543	3.9
183.01212	1.1
183.06596	1.3
184.04300	2.4
184.06139	1.2
188.03796	6.8
189.03357	6.0
189.05318	0.9
191.01625	10.4
191.07014	4.5
192.06625	1.1
194.08266	1.3
195.04706	1.2
195.06531	1.8
196.06161	1.0
198.07671	1.4
200.03789	4.0
205.06236	3.8
206.08112	2.4
209.02730	3.5
209.08095	11.1
211.09743	4.2
212.03746	2.6
217.06425	2.6
220.09834	1.2
223.04201	2.2
231.08092	1.5
234.05858	3.1
234.07825	2.0
234.11148	1.1
240.03387	2.6
251.06653	5.7
252.06796	6.7
266.08203	1.2
267.08032	4.5
268.02667	7.7
269.06342	1.1
271.06241	1.2
280.06439	2.2
284.09418	1.5
299.06940	1.3
300.05426	3.0
303.09985	1.5
312.08835	1.2
321.10986	1.5
335.12418	2.8
337.08792	1.8
338.07086	3.1
353.13498	1.8
355.09683	1.8
367.09848	1.4
369.11157	6.4
370.09814	2.7
381.11172	2.2
382.48544	1.1
387.12354	3.8
395.12830	1.5
399.12231	4.3
413.13718	4.8
418.09384	1.9
445.10788	1.6
446.16678	1.5
463.11853	1.4
475.15411	3.6
477.13629	2.7
493.13083	2.8
495.14410	3.4
507.14352	2.7
508.65506	1.0
513.13489	1.8
518.16235	1.2
521.19647	1.0
531.14471	4.0
545.15863	8.3
549.17773	2.0
561.17432	18.5
563.16779	10.9
575.19025	2.0
577.18530	13.5
595.19391	12.1
637.20685	7.7
655.17987	4.1
669.19800	3.5
695.20667	1.9
707.21136	4.2
717.96613	1.6
725.22565	3.6
739.23676	29.7
740.24084	1.4
757.24799	31.5
758.25104	1.8
901.29193	2.8
919.30060	37.7
920.30713	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	916.5472
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05134	2.2
67.05500	43.7
69.03417	3.6
69.07067	11.2
69.20124	2.0
69.20530	11.3
71.04981	3.8
71.08630	18.4
73.02921	2.5
79.05069	1.5
79.05493	14.6
81.03403	3.8
81.06604	1.4
81.07049	21.4
83.04971	4.0
83.08611	14.9
85.02901	20.1
85.06535	2.2
85.10172	10.4
86.09690	2.9
87.04453	4.4
89.06018	1.3
91.03954	6.2
91.05466	6.0
92.15212	1.0
93.07029	6.7
95.04967	2.2
95.08604	19.5
97.02895	7.0
97.06543	1.6
97.10162	20.6
98.98422	1.2
99.04396	1.0
105.07030	3.3
107.08582	9.1
109.10152	36.1
111.08063	1.4
111.11664	1.6
117.07010	2.5
119.08573	4.4
121.10129	2.8
123.08096	1.2
123.11679	3.5
125.09634	17.3
127.03945	2.2
135.11644	2.0
137.09633	2.1
137.13284	1.3
143.10680	3.2
145.04961	3.1
145.10100	1.8
153.12740	1.7
153.58357	1.2
155.10648	2.0
163.05991	2.2
163.11166	2.8
173.11734	8.9
181.12259	2.1
184.07341	5.8
191.10727	2.0
195.00293	1.2
199.13292	12.1
209.11684	4.6
217.14178	1.1
227.12794	9.8
229.14334	50.1
234.18753	1.5
239.23608	3.7
243.99092	1.1
245.13745	1.5
257.13828	1.5
257.24814	2.3
267.15924	2.0
267.50421	1.3
283.15314	4.8
297.17010	1.8
301.16422	33.4
313.27344	100.0
314.27664	3.5
319.17416	1.5
335.25824	5.6
341.26791	1.8
437.36185	6.5
455.37347	20.9
463.22137	1.4
467.37308	27.1
521.38074	2.4
539.39398	15.7
557.40204	6.3
701.44458	2.4
916.51154	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03933	2.1
66.04735	1.0
67.05504	4.5
68.02642	1.3
69.03426	8.4
71.01337	4.2
71.04991	1.6
71.06224	1.5
73.01154	1.0
73.02913	1.0
74.02452	1.0
76.02251	1.1
76.39941	0.8
77.03925	1.6
79.01849	1.5
79.05486	10.0
80.05029	2.9
80.98596	1.1
81.03417	7.4
81.07082	1.9
83.01337	0.9
83.04971	4.3
84.04515	3.8
85.01116	8.0
85.02898	12.8
86.00648	6.0
86.99050	24.1
87.02678	1.6
87.04474	1.4
88.02209	2.2
91.05488	10.2
93.07044	2.9
94.04208	1.1
95.04966	14.9
96.04510	1.6
97.01139	3.2
97.02893	6.8
99.00816	1.7
99.02689	1.3
102.03754	1.6
102.05527	4.7
103.03966	1.1
103.05450	6.6
105.03397	1.3
105.04498	1.2
105.07032	1.7
106.06552	11.3
107.04953	18.5
108.04480	1.8
108.08138	1.4
109.02869	18.9
109.06561	2.9
110.06075	0.9
110.99051	3.5
111.02680	5.0
111.04442	7.4
112.02194	0.8
112.03954	6.0
113.00597	1.4
114.03745	1.0
115.05447	1.2
116.01672	17.6
116.02399	1.3
119.04964	2.5
120.04450	1.1
121.06515	6.0
123.02673	2.0
123.04421	5.6
124.03960	7.8
125.02316	6.8
126.03764	1.0
126.05535	1.9
127.02129	1.3
127.03942	4.9
130.05002	6.9
131.04930	6.8
132.08128	1.5
133.02907	2.9
133.06485	2.0
135.02620	9.2
135.04332	3.8
136.03987	2.0
137.00571	1.5
137.04214	1.8
137.05988	3.1
138.05531	3.5
139.02188	2.8
139.03896	100.0
140.04272	1.3
140.07080	0.9
141.05472	9.5
143.01633	4.7
143.02774	4.7
144.01184	2.6
145.05019	1.5
145.06471	0.9
147.04422	2.5
148.03989	2.6
148.07584	1.4
149.05969	10.3
150.05544	1.3
151.03893	13.9
151.07591	1.1
153.03722	3.6
153.05513	1.5
154.05009	1.2
155.01642	1.7
156.04814	1.5
159.04387	7.2
160.00700	1.4
162.02264	3.5
163.02107	9.1
164.03452	3.8
164.05606	1.4
164.07111	6.9
165.00104	2.4
165.05472	85.6
166.03363	1.1
167.07097	3.5
167.76909	0.8
171.07672	2.3
174.05524	1.5
174.09265	1.0
175.03946	2.1
176.03436	15.1
176.07072	1.6
177.05472	15.0
177.06863	1.0
178.08607	0.9
179.01657	1.3
179.07016	1.7
181.03256	4.3
181.05028	3.3
182.02748	4.4
182.04550	6.0
182.35042	0.7
183.06624	1.2
184.04399	2.0
184.06046	1.3
184.07558	1.6
188.03737	7.2
188.07205	1.1
189.03316	8.1
189.05014	1.0
190.08601	0.8
191.01601	9.8
191.07007	5.5
194.08009	1.2
195.04797	1.0
198.05936	1.6
198.07692	3.3
200.03864	3.6
200.75618	0.9
202.08844	1.1
203.04858	0.9
204.74695	0.8
205.06328	2.6
206.06429	1.1
206.08234	2.5
208.04321	0.8
209.02759	2.6
209.08052	11.3
209.09883	0.9
210.02179	2.1
211.09650	4.3
212.03801	3.1
213.34450	0.8
217.06523	3.6
223.04337	2.0
224.07460	1.1
226.10805	1.6
234.05768	1.7
234.07800	2.0
240.03287	4.3
241.05360	2.5
251.06683	4.8
252.06924	7.0
266.08301	1.7
267.07959	4.5
268.02698	8.4
280.06485	3.2
284.09296	1.4
284.11786	1.5
286.03656	0.9
294.04724	1.0
299.06967	1.4
300.05429	2.6
301.08539	1.5
311.06693	1.2
321.10938	1.7
335.12518	2.6
337.08557	1.6
338.07120	3.8
353.13535	1.6
355.09451	1.9
367.09457	1.0
369.11026	4.9
370.09579	4.2
381.11353	2.3
385.10690	2.0
387.12061	4.1
395.12915	1.3
399.11972	4.8
405.11215	1.3
413.13992	4.0
418.09579	2.0
445.10953	1.2
446.16971	1.3
461.09906	2.0
463.11554	1.0
475.15442	3.8
477.13391	1.6
488.13690	1.0
493.12988	3.4
495.14081	4.1
500.88031	0.9
507.14548	3.2
509.16180	2.0
513.13440	1.2
531.14246	5.8
545.15582	7.5
547.15778	1.0
549.17792	2.7
559.17377	1.3
561.17487	19.2
561.25415	1.2
563.16962	12.9
575.18671	4.8
577.18365	13.1
595.19531	11.8
637.20526	8.3
655.17877	4.6
669.20074	2.9
671.20990	1.8
687.20575	1.6
695.20923	1.6
707.21478	3.7
725.21393	4.4
739.23657	29.7
757.24805	32.1
758.24945	1.3
887.29358	0.9
901.29272	1.8
919.30005	43.2
920.30469	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.339
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03942	0.6
67.05510	0.7
67.37455	0.5
69.03426	4.0
70.02961	0.5
70.06588	0.8
71.12312	1.0
79.05520	0.6
80.05044	0.5
81.03406	2.3
84.04517	0.7
85.02915	5.0
91.05492	1.5
93.05773	0.6
94.06578	0.6
95.04944	2.5
97.02895	2.8
103.05462	1.2
104.05006	1.4
105.03421	1.6
106.06583	1.4
107.04999	0.8
109.02880	1.1
115.05458	1.2
117.07037	0.9
118.06558	1.0
119.04979	0.6
120.04521	1.8
120.08112	1.1
123.04464	0.7
125.02408	0.7
127.03936	0.5
128.06216	0.5
129.07062	1.4
130.06532	6.1
131.04965	1.4
132.04456	4.6
132.08136	1.4
133.02855	5.0
133.05222	3.6
133.06183	0.5
134.06038	1.8
135.04350	0.6
137.06027	1.0
139.03905	5.0
141.07127	0.5
143.05043	0.7
144.08154	0.6
145.06567	1.2
145.07664	0.9
146.06026	4.8
146.07147	0.6
148.07590	1.2
150.05577	0.6
151.03914	4.1
152.03459	1.0
153.05582	0.9
153.07050	1.2
156.06920	0.5
156.08197	0.6
157.06509	0.7
157.07669	1.6
158.06029	5.6
159.04465	2.3
159.06813	0.4
160.03931	5.5
160.07632	2.0
161.04785	0.6
161.06042	0.8
162.05537	1.7
163.03952	0.9
164.07097	1.2
165.05486	16.9
165.09140	0.7
166.04990	0.8
167.07249	0.8
168.08119	0.6
169.07690	0.7
170.06064	1.9
172.07663	0.7
173.05940	0.7
173.07224	1.7
174.05650	0.5
174.07948	1.7
175.03935	1.0
175.08739	0.8
176.04779	1.9
176.07109	1.8
177.05511	0.7
178.05002	5.3
181.06477	0.8
182.06020	3.4
183.06789	0.7
184.07640	1.9
185.05893	0.8
185.07240	0.8
187.08781	0.9
188.07149	1.2
189.05479	1.3
190.08681	1.3
191.06985	2.4
192.06561	14.8
193.07350	1.4
194.06056	1.4
194.08232	1.2
195.06744	2.6
196.07626	1.9
199.07646	1.2
200.07147	1.0
202.08708	0.9
203.03342	2.4
203.07043	0.8
205.08736	0.5
208.07645	1.3
209.05949	0.8
210.05562	0.6
210.09312	0.8
211.08655	0.6
212.07173	1.5
214.08749	1.2
216.06523	0.7
216.08379	0.7
216.10298	1.5
217.04970	3.8
217.09100	0.7
218.08070	0.7
218.09946	0.6
219.06641	1.9
219.09198	1.3
220.07634	1.8
222.05579	1.8
222.09222	1.3
223.08693	0.8
224.07147	0.6
225.10262	1.5
227.07175	1.1
228.04431	0.9
228.06654	1.5
230.08423	0.7
234.09187	2.0
234.11388	0.7
235.06129	1.2
235.08672	1.7
236.07121	0.8
237.05339	0.6
237.10265	4.2
238.08725	1.0
238.10837	2.8
240.06691	0.6
244.07672	0.7
245.08395	1.3
246.05424	0.6
246.09204	1.7
247.06233	1.1
247.08748	1.1
248.07137	1.9
249.07800	0.8
250.05087	0.8
251.05724	1.0
252.06514	0.8
254.08269	0.8
255.06654	1.2
262.08749	2.2
263.08298	1.8
263.11963	1.2
264.09421	0.8
264.12546	0.7
265.09720	2.3
266.10724	0.9
267.11353	0.8
272.07147	0.8
273.07877	1.1
274.08679	0.7
275.08206	1.3
276.10165	0.6
277.07217	2.1
277.09915	0.7
278.08099	1.0
280.09903	0.6
282.07788	1.1
287.08978	0.7
287.11920	0.7
289.10077	0.8
289.13504	0.9
290.08270	1.8
291.08026	1.2
291.11426	1.1
292.09604	0.6
293.09283	5.6
294.10077	2.2
295.10736	4.5
297.08578	0.9
300.06516	0.7
301.07413	0.9
302.10809	0.8
303.11420	0.9
304.09720	1.3
305.09537	0.9
306.10861	0.8
307.10776	3.3
310.09326	2.4
311.10498	2.3
319.11169	0.7
321.12427	1.6
323.10205	3.6
324.11002	11.4
325.11777	2.9
326.12802	0.7
331.14499	0.7
333.12344	2.5
345.12302	0.8
347.14203	1.1
348.08826	0.8
356.10287	1.1
358.12408	0.7
361.11935	2.1
365.15219	1.6
377.15234	0.9
393.14496	4.7
394.15134	0.8
395.16028	1.6
419.12564	1.5
423.15652	2.0
451.15207	4.5
452.15674	0.6
471.15811	0.6
478.15201	0.6
489.16760	1.5
509.16461	1.0
521.19519	2.1
527.20642	1.1
683.24500	21.7
684.24994	1.9
735.28046	0.7
753.28955	4.5
778.71667	0.5
915.33942	100.0
916.34326	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	911.3535
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03940	2.2
67.05509	3.7
69.03426	4.4
69.81037	10.6
71.05022	2.6
79.05491	14.5
79.59369	2.0
81.03399	7.1
81.07068	1.9
83.04993	2.7
85.02902	6.0
91.05478	24.4
93.07066	5.0
94.04157	2.6
95.04969	20.1
97.02870	3.7
99.04469	3.1
103.05466	24.0
105.03354	2.6
105.07009	14.6
107.04954	71.7
109.02879	77.2
109.06523	7.9
111.04430	3.3
115.05459	6.3
117.07024	3.4
119.04929	14.4
121.06498	16.8
122.03645	7.1
122.07302	1.9
123.04431	7.2
124.70226	1.7
125.02365	6.8
127.03961	4.3
128.06194	2.2
129.07002	6.5
131.04933	32.3
132.08003	2.0
133.02884	2.6
133.06479	13.4
135.04431	4.8
135.08067	5.1
137.05977	100.0
139.03893	32.3
144.05702	1.8
145.06497	4.6
147.04428	12.9
148.05156	2.8
149.05981	30.7
151.03891	19.3
151.07523	39.5
157.06499	5.5
159.04440	6.1
159.08063	2.2
160.05208	2.9
161.05978	61.4
161.09601	13.3
162.06758	4.6
163.07542	44.8
165.05479	61.9
165.06902	3.2
165.09119	6.2
167.07028	11.3
167.08397	3.5
169.06500	2.1
171.04486	3.2
173.05936	2.0
174.06798	3.8
175.07545	16.2
177.05475	63.0
177.09094	5.2
179.07037	9.9
181.08652	9.5
182.51419	1.7
183.06448	2.4
184.42709	2.0
187.07588	2.9
189.09109	45.5
190.09564	1.8
191.07011	11.3
193.06548	3.3
195.06534	12.3
195.08121	5.2
197.06027	2.1
199.07512	2.3
203.06984	2.3
205.08549	2.6
207.08192	2.1
207.10153	58.9
209.06075	3.7
209.08072	62.2
210.06721	2.5
215.06902	4.0
219.10141	13.0
221.05876	3.6
223.07535	4.6
227.07202	2.2
227.09097	6.7
227.10727	7.3
237.09024	3.3
249.09200	3.1
253.08589	3.8
253.12180	3.3
255.10114	8.5
257.07874	2.4
261.09265	2.6
265.08542	4.5
267.10150	6.3
281.11761	4.0
283.09500	2.7
285.11285	9.9
287.12753	24.8
291.10330	3.0
293.11761	2.4
297.11212	5.6
299.12756	4.3
309.11218	3.2
311.12769	22.6
313.11038	2.2
313.14365	23.1
315.12527	2.4
325.10751	2.1
325.14282	2.5
331.15372	31.1
337.10654	4.2
341.13736	3.7
343.15399	7.3
355.11679	4.9
387.14246	2.2
467.16977	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	910.5726
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05504	12.8
69.03430	2.3
69.07071	7.5
69.21182	2.6
69.21587	6.7
71.04981	1.2
71.08636	13.2
73.02921	1.6
76.59095	0.8
78.98221	0.9
79.05495	11.2
81.03416	28.1
81.07056	17.0
83.04981	6.6
83.08619	14.9
85.02902	18.4
85.06523	0.9
85.10181	6.5
89.06063	1.4
91.03947	4.0
91.05482	13.5
93.07037	7.9
95.04965	12.1
95.08606	13.9
97.02903	4.4
97.06516	1.5
97.10163	4.5
105.07014	9.4
107.04969	2.1
107.08563	4.2
109.06518	1.8
109.10183	4.2
111.08071	4.4
111.11703	1.2
113.05997	2.2
119.08572	8.3
121.10142	5.2
123.08082	1.4
123.11703	3.6
125.06903	0.9
125.09659	1.0
127.03902	2.3
129.07011	5.4
131.08582	5.5
133.06467	1.8
133.10124	5.6
142.07832	1.3
142.67482	0.8
145.04980	2.4
145.10083	1.2
147.08041	1.2
147.11693	7.2
149.09656	3.1
157.10129	7.4
163.06068	1.8
175.11182	6.8
188.76463	1.0
193.12248	26.1
211.13289	42.1
256.40912	0.8
267.15909	14.6
285.16974	58.6
286.17377	1.5
341.10718	1.0
341.30490	61.1
342.30881	1.5
390.55426	0.9
533.42010	17.0
534.41925	1.0
551.43066	100.0
552.43335	5.3
747.29102	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.4813
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	3.7
69.03430	4.0
69.07067	0.7
69.66728	3.9
72.53686	0.5
73.02917	3.9
79.05508	2.4
81.03427	2.6
81.07059	3.6
85.02900	6.9
91.03963	4.0
91.05487	1.6
93.07040	2.0
95.05012	0.8
95.08621	2.1
97.02883	6.3
97.06557	0.5
101.02390	2.4
104.58360	0.5
105.07055	1.4
107.08591	0.9
109.10180	1.4
119.08579	1.1
121.10152	1.3
127.03921	1.7
133.10133	1.0
136.99916	0.6
138.26772	0.5
145.04997	0.8
145.10196	0.7
145.43608	0.5
147.11702	1.0
184.07414	0.9
185.04320	0.7
193.12346	0.6
243.08420	1.8
251.12633	0.6
279.85141	0.6
283.38599	0.5
335.25864	0.8
347.09589	2.3
405.13568	4.4
469.20313	4.1
477.26785	0.8
519.29169	5.8
574.36829	0.6
586.74335	0.6
631.25879	2.2
681.34583	5.5
747.43134	1.3
909.48102	100.0
910.48376	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	908.5569
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05503	18.2
69.03424	3.5
69.06694	0.9
69.07065	17.3
69.07423	1.2
71.02888	1.8
71.05000	2.1
71.08639	1.6
73.02924	1.7
79.05492	11.8
81.03412	29.5
81.07052	23.2
83.04967	8.5
83.08620	20.0
83.09115	0.8
85.02901	18.4
85.04971	0.9
85.10206	1.3
91.03958	4.4
91.05474	13.6
93.07039	10.9
95.04963	11.8
95.08606	14.8
95.09188	1.4
97.02892	4.9
97.06545	3.1
97.10164	6.5
99.04459	0.8
105.07026	10.9
105.07692	0.9
107.04970	3.3
107.08583	5.4
109.06529	2.5
109.10150	7.4
111.04447	1.2
111.08092	6.1
111.11729	2.1
113.05996	1.4
113.42229	0.8
117.65277	0.8
119.08578	10.4
121.06509	0.9
121.10136	9.9
123.11727	1.7
125.09622	1.6
127.03929	2.1
129.06984	4.4
131.08562	6.2
133.06458	1.8
133.10115	5.4
135.11694	4.9
142.07782	1.2
145.04956	1.8
145.10187	1.0
147.08070	1.7
147.11667	7.4
149.09644	2.7
149.13321	1.4
157.10133	6.9
163.06078	1.9
163.11169	0.9
165.12845	0.9
175.11206	8.3
179.91844	0.7
191.53099	0.7
193.10461	1.2
193.12241	24.9
210.99614	0.8
211.01671	0.8
211.13275	38.4
232.09712	2.0
247.78362	0.7
265.25397	1.8
267.15912	14.1
285.16949	58.8
298.11829	0.9
330.07324	3.2
339.28909	53.1
340.29269	1.0
510.33627	0.7
531.40405	14.7
549.41461	100.0
550.41534	3.1
693.47064	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	908.5577
Annotation	Unknow
Peak:m/z	Relative Intensity
66.11871	1.5
67.05499	10.0
69.07067	5.9
69.29069	16.2
71.08638	15.4
73.02927	4.0
79.05489	9.0
81.03410	6.7
81.07059	14.1
83.01351	3.5
83.04981	5.7
83.08628	8.4
85.02905	12.0
85.10193	10.0
91.03959	6.1
91.05479	5.3
93.07063	11.8
95.04956	3.9
95.08613	12.8
97.02887	6.3
97.06560	3.0
97.10185	4.0
98.20865	4.6
98.21542	3.0
99.04473	2.5
105.07013	5.0
107.04970	4.2
107.08588	6.1
109.06555	2.5
109.10154	5.6
111.11719	2.5
117.07034	2.1
119.08591	4.1
121.10129	4.3
123.08079	4.5
123.11717	2.3
131.08591	1.8
135.11697	8.2
145.04971	2.5
145.10100	8.3
147.08011	2.0
163.05998	3.8
163.11192	13.1
173.09756	3.4
181.12234	2.6
191.10669	1.4
209.11774	4.3
283.15411	100.0
341.30521	72.3
341.34744	2.5
470.40485	1.6
549.41522	53.6
747.03314	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	904.5254
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03916	2.4
67.05500	46.6
69.03419	5.6
69.06731	1.1
69.07069	12.5
71.04972	3.2
73.02901	3.1
79.05489	34.7
81.03412	49.5
81.07049	47.3
83.04974	11.5
83.08613	21.9
84.82175	0.7
85.02898	29.0
85.06524	2.0
91.03409	1.1
91.03941	8.9
91.05474	32.6
93.07037	37.4
93.41321	0.6
95.04959	19.8
95.08600	28.0
96.04478	0.9
96.08998	0.7
97.02887	10.0
97.06517	5.0
97.10131	3.5
99.04421	1.3
99.08083	1.3
104.07117	0.6
105.04514	0.9
105.06307	1.1
105.07022	22.1
107.04951	6.0
107.07878	1.4
107.08582	17.6
107.09303	1.0
109.06497	4.0
109.10142	11.3
111.04453	1.9
111.08067	7.3
113.06009	1.7
113.09558	0.6
115.03901	0.8
115.05470	1.3
117.07019	4.2
119.07709	1.0
119.08565	18.6
119.09385	1.4
121.06519	1.7
121.10133	16.9
123.08056	3.9
123.11699	4.4
125.09595	1.5
127.03910	2.4
129.06989	9.5
131.08553	12.6
133.06490	2.8
133.10120	12.7
135.11679	8.5
137.09624	1.9
137.13263	1.4
142.07767	2.3
143.08534	0.9
145.04947	2.5
145.10118	5.0
147.08020	1.5
147.11668	13.4
149.09587	5.1
149.13249	4.9
151.11203	1.0
155.08548	0.7
157.10123	10.1
158.10429	0.7
159.11684	4.2
161.13255	2.6
163.06029	3.2
163.11104	0.8
163.14833	1.4
165.12744	2.6
167.53427	0.8
169.10097	1.0
171.11668	1.1
173.13289	3.1
175.11160	10.5
175.14821	1.3
181.56361	0.7
187.14845	1.5
193.12238	37.9
194.12602	0.8
201.16399	0.8
211.13271	61.3
212.13481	1.0
227.12640	1.2
243.21094	2.8
259.20532	1.0
261.22095	8.8
267.15866	12.9
285.16937	72.5
286.17325	2.3
301.25235	1.2
303.23251	1.1
317.24695	1.9
335.25766	65.7
336.26154	1.7
417.31506	0.8
435.32773	1.3
453.33740	2.6
471.34811	1.6
527.37207	14.7
545.38330	100.0
546.38605	4.6
563.39209	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	906.5415
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03901	0.9
67.05504	13.7
69.03432	1.7
69.07069	16.2
70.65023	2.8
71.04986	2.3
71.08619	1.8
73.02906	3.0
79.05495	11.6
81.03411	4.9
81.07050	16.5
83.01340	4.6
83.04989	6.2
83.08619	16.7
85.02912	11.7
85.10175	1.1
88.83666	1.1
91.03945	6.5
91.05476	7.4
93.07039	17.3
95.04968	3.0
95.08604	15.2
97.02892	7.9
97.06513	3.3
97.10162	6.7
99.04435	1.9
103.09445	1.1
105.07007	3.5
107.04945	4.0
107.08585	8.5
109.06516	2.7
109.10159	7.2
111.04442	1.0
111.08047	2.1
111.11711	2.0
115.61512	0.9
117.07008	3.4
119.08552	5.0
121.06461	1.1
121.10149	8.0
123.08073	4.1
123.11704	1.8
125.09627	1.9
127.03885	1.8
127.55152	0.9
133.10103	1.9
135.08089	1.2
135.11687	8.0
143.19368	0.9
145.04977	2.3
145.10106	11.0
147.04454	1.5
147.08034	1.1
149.13249	1.8
153.12724	1.4
163.06027	3.1
163.11168	14.7
165.16364	1.1
173.09546	1.1
181.12260	2.1
191.10655	1.8
198.12013	1.0
209.11694	3.8
227.12822	4.3
247.24431	1.0
283.15387	100.0
284.15778	3.2
339.28925	65.7
340.29324	2.4
397.26254	1.0
516.61359	1.0
525.29449	1.0
529.39020	1.2
547.39905	52.1
548.40247	3.2
577.17108	1.2
676.85193	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.5246
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02422	0.2
65.03928	1.5
67.05502	4.1
69.03419	0.2
69.07060	0.6
71.50988	0.2
77.36333	0.2
79.05491	2.3
81.07050	3.7
83.04968	0.2
83.08605	0.7
85.06557	0.2
91.05476	10.8
92.09433	0.2
93.07044	2.1
93.60320	0.2
95.04963	0.4
95.08055	0.3
95.08598	3.0
97.06535	0.3
97.10152	0.3
105.07021	0.7
107.08582	1.1
109.10143	1.1
119.04935	20.6
119.08571	0.6
120.05294	0.2
121.10138	0.9
123.11700	0.4
123.69356	0.2
131.08540	0.3
133.10094	0.7
135.11716	0.8
147.04399	100.0
148.04724	1.8
149.13254	0.3
151.11166	0.2
160.11255	0.3
165.05457	1.2
215.17868	0.3
233.19017	0.4
251.06979	0.3
251.20027	0.5
258.08841	0.5
259.09235	0.3
307.22604	0.4
325.23798	0.6
335.40375	0.2
337.37680	0.2
347.74039	0.2
401.59070	0.2
465.35733	0.2
471.27402	4.1
475.29703	0.2
557.41571	0.3
575.43097	4.6
592.82709	0.2
635.31598	0.4
689.93176	0.2
727.46924	0.2
739.46881	0.5
903.46600	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5257
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	2.0
67.05502	36.9
67.05835	1.2
69.03426	3.8
69.07065	11.0
70.95908	0.7
71.04995	3.4
73.02919	2.4
73.86239	0.4
76.16757	0.4
77.03908	0.3
79.05491	32.1
81.03414	35.4
81.07051	43.0
83.04978	8.6
83.08614	15.8
85.02902	23.4
85.06500	1.4
87.04424	0.5
90.82986	0.4
91.03434	0.4
91.03954	6.1
91.05479	26.3
93.07040	32.0
95.04965	16.7
95.08601	27.8
95.09175	0.5
97.02320	0.4
97.02884	6.5
97.06520	3.5
97.09655	0.4
97.10152	3.7
98.21443	0.4
99.04401	0.7
99.08046	1.7
100.20371	0.4
103.05383	0.4
105.04498	0.8
105.07027	19.7
107.04946	3.8
107.08588	17.8
109.06514	3.8
109.10154	10.9
111.04391	1.8
111.08066	6.3
113.05950	1.3
115.03926	0.6
115.05396	1.3
117.07002	3.5
119.08574	16.6
121.06451	1.2
121.10133	17.1
121.84975	0.4
123.08018	1.8
123.11723	4.2
125.09575	1.5
127.03883	2.3
127.07490	0.7
128.06134	0.7
129.06996	7.3
131.08565	12.6
133.06424	1.4
133.10121	11.2
135.08067	0.6
135.11684	7.1
137.09563	1.6
137.13222	1.2
142.07744	1.6
143.08546	1.1
145.04921	2.0
145.10117	6.4
147.07990	1.5
147.11684	12.5
149.09625	4.5
149.13261	3.5
151.11139	0.9
156.82036	0.4
157.10129	11.4
159.11702	3.9
161.13239	3.1
161.52202	0.4
163.06003	2.5
163.11096	1.0
163.14787	1.7
165.12741	2.2
169.10065	0.5
171.11639	0.7
173.13219	2.9
175.09779	0.7
175.11182	9.5
175.14751	1.2
177.12625	0.5
177.16377	0.5
183.11714	0.5
185.13213	0.6
187.14801	1.4
189.11180	0.5
193.12233	28.2
201.41928	0.5
211.13280	35.1
227.12775	0.9
229.14284	0.4
243.21057	2.5
259.20511	0.7
261.22128	9.1
267.13098	0.6
267.15887	8.8
272.97870	0.4
273.22211	0.5
279.23035	0.6
283.15186	0.5
285.16953	40.7
317.24713	2.5
335.25784	62.2
336.26138	1.9
357.15189	0.4
435.32480	1.1
453.33621	1.3
471.34628	1.2
509.36288	0.7
527.37299	13.4
545.38348	100.0
546.38751	4.3
563.39746	0.6
689.42462	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5111
Annotation	Unknow
Peak:m/z	Relative Intensity
63.13319	0.5
65.03909	2.3
67.05503	43.0
69.03429	3.6
69.07072	12.1
70.58885	0.6
70.59231	1.6
71.01322	1.3
71.04998	3.4
71.08595	2.5
73.02915	4.3
77.03892	0.7
79.05491	37.4
79.93903	0.6
81.03421	13.8
81.07055	50.8
82.03717	0.5
82.07351	0.9
83.01338	6.8
83.04984	9.1
83.08621	13.9
84.08919	0.5
85.02903	19.4
85.06512	2.0
85.10138	1.7
91.03957	11.5
91.05479	22.2
93.07041	48.5
95.04977	7.3
95.08605	35.0
97.02319	0.7
97.02885	11.2
97.06531	5.2
97.10174	3.4
99.04472	2.9
99.08083	1.1
103.05421	0.8
105.04459	1.4
105.07030	18.6
107.04958	5.7
107.08590	26.8
109.02892	0.9
109.06516	6.2
109.10153	17.3
110.10508	0.5
111.04403	2.4
111.08081	3.7
113.05947	0.5
115.05441	0.8
116.52623	0.6
117.07014	9.2
119.08580	15.8
120.08866	0.5
121.06492	3.3
121.10140	21.3
123.04452	1.2
123.08064	8.2
123.11689	5.2
124.77605	0.5
125.05936	1.6
125.09627	3.9
127.03895	5.3
129.06978	2.5
130.07710	1.7
131.07622	0.8
131.08556	10.9
133.10132	9.2
135.08026	1.9
135.11690	21.3
136.06187	11.6
137.09573	2.4
137.13235	1.1
139.11154	0.7
143.08513	2.0
145.04950	5.7
145.10127	18.7
145.11296	0.9
147.04382	0.6
147.08003	2.2
147.11696	5.7
149.09625	1.4
149.13246	6.4
151.11142	0.6
153.12732	3.6
155.08539	1.6
157.10123	1.5
159.11673	6.0
161.13251	4.9
163.05992	6.3
163.09874	1.0
163.11174	18.2
163.14810	3.6
164.11562	0.6
165.12740	0.8
168.70787	0.7
169.10123	0.6
171.11627	1.8
173.09644	2.7
173.13246	4.4
175.11171	1.3
175.14839	1.3
177.16394	1.1
180.08687	0.7
181.10158	0.6
181.12231	2.6
183.11667	0.6
185.13275	1.3
187.14810	2.6
189.11211	3.4
191.10710	3.0
193.12256	3.4
194.12624	0.7
199.14732	1.1
201.16328	1.4
209.11708	5.7
211.13258	1.3
227.12770	11.4
233.22604	0.6
235.17062	0.5
241.19589	1.1
243.21083	6.1
245.13641	0.8
259.20541	2.7
261.22144	18.9
267.15875	8.2
268.16187	3.2
269.16388	1.3
277.21689	0.8
279.23425	0.8
283.15390	100.0
284.15784	2.6
285.17014	1.3
299.23660	4.4
301.21613	0.9
313.27332	7.3
314.27771	4.3
315.27975	2.9
317.24783	4.7
333.24258	3.0
335.25797	91.3
336.26135	3.3
355.26218	0.9
412.87534	0.5
415.29810	0.9
423.32660	0.9
433.31012	1.9
451.32159	3.5
469.33023	3.7
487.34589	0.9
505.38806	2.0
506.39252	4.0
507.39929	4.0
515.37488	1.4
517.35187	0.7
525.35858	7.6
526.36365	0.7
543.36810	90.4
544.37201	4.7
561.37933	5.6
614.03723	0.5
676.46271	3.7
765.33533	0.6
911.24664	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5105
Annotation	Unknow
Peak:m/z	Relative Intensity
65.01601	0.7
65.03920	2.1
67.05507	34.2
69.03426	2.3
69.07066	7.2
71.01352	1.2
71.04990	2.7
71.08614	0.7
73.02909	3.8
73.06577	0.8
76.00902	0.6
79.05493	29.5
81.03427	9.1
81.07057	35.6
83.01336	5.8
83.04984	8.3
83.08158	0.9
83.08620	11.2
85.02905	16.2
85.06540	1.3
91.03952	9.6
91.04904	0.9
91.05480	17.7
93.07047	36.1
95.04976	6.9
95.08607	29.0
97.02892	9.1
97.06535	3.1
97.10176	4.1
99.04446	2.6
99.08073	1.1
105.04562	0.8
105.06315	0.8
105.07031	13.5
107.04949	5.3
107.08594	19.8
109.02887	0.8
109.06526	5.4
109.10162	12.1
111.04420	2.4
111.08064	2.1
111.11678	0.6
112.23853	0.6
117.07028	8.6
119.08595	10.2
121.06515	2.2
121.09343	1.1
121.10146	15.7
123.08065	6.4
123.11692	5.0
125.05965	0.8
125.09641	3.6
127.03887	4.2
129.06987	1.5
130.07799	1.0
131.08565	8.0
131.98552	0.6
133.10146	6.5
135.08073	1.5
135.11700	15.0
136.06186	5.5
137.09564	1.3
143.08560	1.0
145.04953	3.3
145.06494	0.7
145.09117	0.5
145.10115	14.8
147.08069	1.2
147.11682	5.6
149.09605	1.5
149.13284	4.3
151.11191	0.8
153.12764	2.7
155.08580	1.8
157.10071	1.4
159.11694	5.1
161.13257	2.0
163.05991	6.0
163.09868	1.2
163.11183	17.0
163.14815	2.0
171.11649	1.1
173.09630	2.4
173.12024	0.7
173.13293	4.8
175.11096	0.7
175.14787	1.5
181.12263	3.0
187.14912	1.9
189.11252	3.1
191.10664	3.1
193.12317	1.7
201.16350	1.2
209.11717	6.3
211.13300	2.2
227.12811	11.8
229.18401	0.7
241.19563	0.8
243.21086	4.1
245.13847	0.8
259.20532	2.1
261.22134	12.9
267.16010	3.2
268.16171	0.7
273.22198	0.9
277.21600	1.6
279.23135	1.0
283.15402	100.0
284.15744	2.3
285.17050	1.0
299.23767	4.5
301.21548	0.7
313.27179	0.8
314.27814	0.7
317.24768	3.6
333.24274	1.7
335.25800	65.1
336.26025	1.5
433.31091	2.9
451.32169	3.8
469.33026	1.9
487.34003	2.0
489.33731	0.9
507.34509	0.8
515.37585	1.1
525.35846	6.6
543.36816	57.7
544.36835	2.7
561.37555	4.0
648.85419	0.7
676.46100	1.8
704.56390	0.8
926.48199	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	886.4638
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03929	1.3
67.05505	17.2
69.03430	4.0
69.07066	4.8
70.06592	1.6
71.01334	1.1
71.04987	2.5
71.51346	0.9
73.02925	1.7
77.09240	0.7
79.05492	20.1
81.03416	72.4
81.07055	18.7
82.03762	1.2
83.04980	7.8
83.08620	18.6
85.02901	12.1
85.06517	1.3
86.09692	1.5
88.93283	0.6
89.62338	0.7
91.03947	1.7
91.05479	24.4
93.07046	12.6
95.04382	1.4
95.04969	27.1
95.08052	1.1
95.08596	8.4
97.02898	5.5
97.06516	4.4
97.10178	4.7
99.04437	0.9
103.03835	0.9
105.07035	17.0
107.04963	9.0
107.08596	8.9
109.02862	1.3
109.06524	4.6
109.10162	5.7
111.04414	2.9
111.08072	7.4
113.06007	1.3
115.05436	1.4
117.07016	3.7
119.04942	1.4
119.08580	15.3
121.06503	4.7
121.10117	7.4
123.04445	1.6
123.08042	2.0
123.11688	1.7
125.09644	4.3
127.03920	1.2
128.06245	0.9
128.33638	0.7
129.05542	0.9
129.06993	10.7
131.01147	0.7
131.04961	2.1
131.08568	12.0
133.06499	4.2
133.10132	8.1
135.04361	1.0
135.08073	1.4
135.11728	1.2
137.05962	2.2
137.09578	2.7
142.07764	2.5
143.08501	1.5
145.06479	4.3
145.10114	2.8
147.04440	1.5
147.08057	4.4
147.11678	9.5
149.05984	1.1
149.09598	6.6
151.03856	0.8
153.09109	1.2
155.08475	1.5
157.06525	1.2
157.10133	10.1
159.08043	1.5
159.11690	1.2
161.06000	1.8
161.09615	1.2
163.03931	1.5
163.06050	0.7
163.07478	1.0
163.11180	2.7
165.05482	1.3
165.09105	1.5
165.12766	2.4
167.07080	1.4
167.08485	0.8
169.10170	0.8
171.08043	1.2
171.11688	0.9
173.06090	0.8
173.09703	1.1
173.11664	1.1
175.11192	11.4
176.77908	0.7
181.05034	1.0
184.07338	1.8
185.13326	0.8
187.11137	0.8
188.07080	0.8
189.11230	1.1
193.12233	29.8
195.11604	1.0
197.13297	0.9
199.11166	0.9
205.12306	1.0
209.11653	1.2
211.13278	13.1
211.15097	0.4
223.13225	1.1
227.12816	2.1
229.14316	2.7
233.15326	0.8
235.13235	1.3
249.14839	1.9
255.13748	1.7
255.23665	0.7
259.13336	1.0
267.15918	100.0
268.16272	1.7
273.14908	4.9
283.15482	3.7
285.17001	12.5
287.05286	1.0
301.16510	1.5
309.16837	1.1
339.23230	1.4
341.20929	1.7
349.21521	2.7
357.24356	1.6
359.22348	0.9
367.22736	7.1
385.23694	9.4
403.24786	3.5
405.23956	1.3
433.25882	17.8
438.47766	0.7
441.26236	7.5
459.27411	78.5
460.27539	2.7
477.28473	43.6
478.28903	1.8
501.28381	2.4
509.27496	0.7
519.29443	2.9
585.30603	1.5
603.31390	1.8
621.32831	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	887.4959
Annotation	Unknow
Peak:m/z	Relative Intensity
63.45016	0.5
67.05506	2.7
69.03423	3.2
69.07051	0.9
69.28172	0.5
71.08621	1.3
71.50800	0.5
73.02901	2.5
75.93989	0.5
79.05501	2.2
81.03411	3.5
81.07051	3.1
83.08620	1.5
85.02906	6.5
85.10178	0.9
91.03945	3.9
91.05486	2.1
93.07061	1.1
95.08622	1.9
97.02894	4.3
98.20808	1.2
99.04455	1.0
101.02403	1.8
105.07040	1.1
107.08614	1.0
109.02893	0.7
109.10157	1.0
115.03951	0.8
119.08596	1.1
121.10207	0.5
127.03944	2.0
131.08658	0.6
133.10220	0.7
147.11711	0.8
149.18922	0.5
184.07376	0.7
185.04169	1.1
193.12253	1.0
201.51096	0.5
203.05269	0.5
211.13327	0.7
225.22159	0.5
243.08514	1.8
313.27600	1.2
339.37399	0.6
347.09445	2.6
365.10568	1.0
405.13681	4.5
454.69846	0.6
469.20462	6.8
497.31042	4.2
548.73621	0.5
631.25763	8.0
659.36243	4.0
725.44794	2.0
781.05377	0.5
887.49689	100.0
888.49646	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	902.5105
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03935	1.7
67.05502	33.3
69.03397	2.3
69.07062	7.8
69.19202	8.4
71.04969	2.4
71.08616	1.6
73.02889	1.9
79.05026	1.3
79.05492	28.6
81.03408	4.7
81.07054	36.3
81.07536	1.9
83.01318	0.9
83.04968	3.0
83.08615	9.5
85.02921	4.0
85.06523	1.1
88.65077	0.9
91.03943	2.6
91.05485	12.7
93.07040	37.9
95.04966	6.2
95.08604	38.1
97.02883	4.1
97.06529	3.0
97.10155	2.5
99.04436	2.3
104.63045	0.8
105.07026	8.9
107.04927	4.0
107.08594	24.8
109.02864	0.7
109.06514	2.3
109.10152	8.6
111.04456	1.3
111.08057	2.2
115.05363	0.9
117.07027	6.9
119.08570	10.1
121.06500	2.8
121.10138	17.2
123.07990	1.6
123.11700	2.3
125.05992	2.7
127.03891	1.2
130.07742	1.7
131.08549	4.6
133.10124	5.9
135.08044	1.7
135.11688	31.8
135.36974	0.9
136.06190	3.9
137.13257	1.1
143.08473	1.0
145.10126	21.6
147.11642	2.6
149.13214	3.6
153.12697	1.1
159.11659	2.3
161.13254	2.0
163.05980	1.3
163.11168	35.8
163.14827	1.2
166.55910	0.9
173.13220	2.3
181.12230	6.9
184.07309	1.8
187.14879	1.0
209.11635	1.1
227.12776	43.4
228.13077	1.6
243.20998	1.3
261.22134	7.3
267.15912	1.6
283.15390	58.9
284.15634	0.9
313.27332	2.2
314.27661	2.1
315.27740	0.9
317.24832	2.3
335.25793	97.8
336.26108	3.5
410.22110	0.9
506.39102	0.9
507.39404	1.4
543.36804	100.0
544.37250	5.9
561.37726	1.4
603.31104	0.9
624.24426	1.0
647.58984	1.0
903.47394	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.5412
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03908	1.0
67.05503	15.1
68.77751	0.3
69.03429	2.5
69.07070	8.7
71.04997	2.4
71.08633	19.9
71.12046	0.9
71.24338	0.3
73.02921	2.3
79.05490	10.1
81.03416	29.8
81.07053	19.9
83.04975	6.6
83.08617	16.3
85.02902	17.2
85.06512	1.3
85.10180	11.4
86.09675	0.5
87.04418	1.0
89.05992	1.1
91.03957	6.5
91.05476	14.7
93.06503	0.4
93.07037	6.7
95.04404	0.7
95.04966	12.2
95.08603	17.2
96.04441	0.4
97.02894	6.7
97.06534	2.1
97.10174	4.3
99.04404	1.0
99.08076	0.8
99.11683	0.7
103.07565	0.8
105.07030	9.9
107.04949	2.9
107.08598	3.0
109.02868	0.6
109.06474	1.5
109.10152	7.3
109.89057	0.4
111.04393	1.1
111.07404	0.4
111.08081	4.6
111.11594	0.5
113.05969	1.4
115.03912	0.5
117.06998	1.0
119.08575	9.0
121.06479	0.8
121.10138	4.8
123.08068	1.6
123.11703	3.2
125.09614	0.6
127.03911	2.7
127.07595	0.4
127.76417	0.3
129.06998	4.9
131.07631	0.5
131.08563	5.8
133.06459	1.5
133.10127	5.3
137.09575	0.6
137.13219	1.2
142.07744	1.1
145.04985	2.5
145.10071	1.1
147.08121	1.8
147.11678	7.2
149.09586	2.4
151.14841	0.5
157.10123	7.5
163.06003	1.8
165.12714	1.4
175.11180	6.8
184.07326	1.2
193.12233	22.9
204.30133	0.4
211.13286	25.1
212.13490	0.6
239.23668	1.6
249.14908	0.5
257.24667	1.6
267.15906	12.3
285.16959	35.2
286.17276	0.9
313.27353	69.7
314.27802	2.1
314.30826	0.4
326.34000	0.4
410.99561	0.4
505.38858	16.4
506.39178	0.8
523.39929	100.0
524.40326	4.7
650.34320	0.4
667.43671	0.5
812.08441	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.5411
Annotation	Unknow
Peak:m/z	Relative Intensity
62.84894	0.4
65.03925	0.7
67.05503	16.3
69.03423	4.3
69.07066	8.8
69.37428	2.7
69.37846	1.0
71.04980	2.8
71.08628	16.0
73.02909	3.3
79.05489	12.3
81.03413	40.4
81.07050	23.0
83.04978	9.3
83.08615	17.9
85.02900	24.5
85.06503	1.6
85.09668	0.7
85.10175	9.9
87.04439	0.7
87.24043	0.4
89.05993	1.0
89.51140	0.4
91.03951	6.8
91.05477	17.5
93.06497	0.7
93.07041	9.4
95.04962	14.6
95.08602	17.8
96.04455	0.4
97.02891	7.1
97.06517	2.8
97.09578	0.4
97.10170	5.6
99.04421	1.0
99.08096	0.8
99.11702	0.5
103.07536	0.7
105.07025	12.0
107.04951	3.8
107.08609	4.2
109.02855	0.7
109.06507	3.2
109.10149	7.7
111.04395	1.7
111.08080	6.5
113.05973	1.4
115.03963	0.6
115.05431	0.8
117.06994	0.8
119.08576	11.6
121.06476	1.3
121.10133	4.9
123.07994	1.2
123.11698	4.1
125.09578	1.2
127.03928	2.4
129.07010	6.3
131.08557	7.0
133.06488	2.0
133.10117	7.3
135.08095	0.6
135.11679	0.5
137.09561	1.2
137.13188	1.1
142.07715	0.8
145.04964	2.7
145.10060	1.2
147.08014	1.9
147.11681	9.9
149.09630	3.5
157.10123	9.2
160.65958	0.4
163.03900	0.4
163.05995	2.7
163.11147	0.5
165.12738	2.4
175.11171	9.0
184.07286	1.1
193.12236	30.3
199.13391	0.5
211.13283	42.4
212.13618	0.7
221.22652	0.6
239.23775	2.1
239.26041	0.4
249.18472	0.7
257.24762	1.1
267.12988	0.9
267.15900	17.4
285.16946	61.6
286.17218	0.8
298.27393	0.4
313.27350	62.7
314.27704	1.6
501.39185	0.8
505.38831	14.0
506.39185	0.9
523.39923	100.0
524.40137	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	880.5253
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	5.9
67.05503	8.7
69.03416	2.2
69.07065	17.2
71.01359	0.5
71.04997	1.5
71.08636	4.4
73.02905	2.3
79.05492	8.8
81.03415	23.4
81.07053	10.7
83.04978	4.4
83.08616	20.0
85.02901	16.1
85.06516	0.8
85.10164	2.0
86.09701	4.2
91.03956	3.7
91.05475	10.5
93.07045	5.8
95.04977	8.8
95.08596	6.7
97.02880	4.6
97.06528	1.7
97.10160	11.5
99.04450	1.0
99.08067	0.8
105.07035	6.8
105.29283	0.6
107.04951	2.8
107.08593	4.5
109.06515	1.7
109.10172	1.3
111.04405	0.8
111.08097	4.0
111.11705	2.6
113.05995	1.3
115.05448	0.7
117.06949	0.7
119.08598	5.3
121.10121	5.0
123.08089	0.6
123.11699	1.6
125.00001	2.8
125.09625	0.8
127.03907	1.5
129.06982	3.3
131.08568	4.0
133.06448	0.9
133.10097	3.2
135.11688	1.3
142.07681	1.1
145.04977	1.4
145.10059	0.9
147.08084	0.7
147.11694	6.2
149.09633	2.2
152.49324	0.5
155.10611	0.7
157.10123	5.3
163.06007	1.8
163.11221	1.4
165.12770	1.4
175.11183	4.6
184.07315	12.2
184.08815	1.0
193.12233	14.8
211.13275	16.9
215.84503	0.6
219.21022	0.6
229.48601	0.8
237.22127	0.9
267.15933	10.1
283.15381	2.3
285.16943	27.2
311.25797	36.5
312.26147	1.0
313.27435	2.7
403.12531	0.7
503.37286	10.2
521.38361	100.0
522.38965	2.7
597.35620	0.7
665.41998	0.8
880.45984	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.5254
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	11.5
65.03923	0.7
67.05502	13.7
69.03397	2.2
69.07065	7.4
70.63925	1.2
71.01318	1.0
71.04952	2.3
71.08631	20.8
73.02906	3.8
79.05492	11.4
81.03420	7.6
81.07056	20.5
83.01332	6.0
83.04987	7.0
83.08617	14.7
83.09399	0.5
85.02905	13.8
85.06528	1.0
85.10181	13.4
87.04456	0.7
89.04351	0.6
89.05999	1.7
91.03950	7.3
91.05476	6.3
93.06501	0.8
93.07040	13.2
95.04965	4.2
95.08607	18.8
97.02893	7.7
97.06529	3.5
97.10170	4.8
99.04472	2.7
103.07536	0.8
105.07039	4.9
107.04954	5.0
107.08585	7.7
109.02869	0.7
109.06496	3.5
109.10147	8.2
111.04417	1.8
111.08086	0.8
111.11674	1.2
115.03897	0.9
117.07015	4.2
119.08575	5.1
121.06479	2.4
121.10137	4.9
123.08070	5.6
123.11726	3.3
125.05926	1.2
125.09610	1.3
127.03947	3.4
131.08514	2.2
133.10127	1.2
135.07968	0.9
135.11700	9.5
136.61899	0.5
137.09593	1.5
137.13243	1.7
145.04922	3.7
145.06308	0.9
145.10114	10.2
147.08018	1.4
153.12711	2.0
155.08556	0.9
155.20035	0.5
163.06032	3.9
163.09879	1.1
163.11188	18.0
173.09601	1.9
181.12210	2.2
184.07318	1.7
187.25566	0.6
191.10707	1.4
209.11761	3.3
227.12769	4.0
239.23747	1.7
257.24664	2.4
270.30881	0.6
283.15393	93.0
284.15622	2.2
298.27649	0.7
313.27359	99.4
314.27628	2.7
380.44946	0.6
521.38379	100.0
522.38751	5.5
734.10034	0.5
890.97736	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	876.4942
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	13.1
63.99502	1.2
65.03938	1.5
67.05503	39.1
69.03413	4.5
69.07076	9.1
71.03829	2.6
71.04984	4.9
73.02906	3.5
79.05492	38.4
80.43684	1.4
81.03416	46.0
81.07054	39.6
83.04975	12.4
83.08620	21.0
85.02902	27.8
85.06535	2.9
86.09695	5.4
91.03938	8.1
91.05476	31.3
93.07039	39.1
95.04963	17.2
95.08598	22.5
97.02891	10.6
97.06505	5.5
97.10155	3.0
99.08075	2.9
105.07032	22.5
107.04956	4.1
107.08585	17.1
109.06501	3.7
109.10127	9.0
111.04400	1.4
111.08078	8.9
113.05953	2.1
115.05408	1.7
117.07014	4.1
119.08577	20.3
121.06528	1.6
121.10145	23.6
123.08052	3.0
123.11681	2.9
125.00013	4.1
125.05714	1.2
127.03848	3.4
129.06979	6.3
131.08563	13.0
133.06566	1.9
133.10143	11.6
135.07993	1.2
135.11684	13.4
137.09637	2.4
139.11215	1.2
142.07790	1.8
145.04953	3.8
145.10109	7.3
147.08017	2.2
147.11696	13.9
149.09654	5.8
149.13202	4.3
153.06808	1.2
155.08455	1.5
157.10117	11.7
159.11679	3.8
161.13142	1.4
163.06030	5.0
163.11131	2.2
165.12740	3.0
171.11761	1.4
173.13269	4.8
175.11171	12.0
175.14859	2.0
184.07327	20.8
187.14789	1.7
193.10480	2.1
193.12245	38.6
211.13280	62.7
215.17966	13.9
227.12711	2.1
233.18993	12.2
267.15897	14.3
285.16956	87.8
289.21600	1.9
307.22662	63.7
308.22870	2.4
407.29138	3.5
425.30560	2.8
426.55334	1.3
443.31873	1.5
499.34039	10.9
517.35242	100.0
518.35638	3.3
784.48376	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	878.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
61.01146	3.0
69.03420	3.1
70.92489	1.7
71.04993	1.3
79.05483	0.8
81.03404	1.0
81.07055	4.7
85.02896	2.7
87.02734	0.8
88.02212	52.2
93.07050	1.2
95.04917	0.9
95.08588	0.7
96.04434	0.8
97.02880	7.6
107.04941	0.7
109.02827	0.9
123.11691	3.7
124.03947	38.6
126.05478	2.6
148.07526	1.8
149.05940	3.6
151.03903	1.6
163.03899	1.0
164.32396	0.7
165.05504	0.8
166.06882	1.4
169.12207	1.1
176.07025	2.9
184.04269	87.2
185.04626	0.9
186.05843	5.6
195.25388	0.6
208.07930	0.8
220.09647	0.9
236.07384	2.4
254.08446	100.0
255.08748	1.8
281.41547	0.7
301.16443	2.9
388.06189	0.7
398.12604	1.1
416.13702	32.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.5258
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02926	8.0
67.05502	8.8
69.03418	1.7
69.07068	5.3
71.01319	0.4
71.04993	2.0
71.08629	14.0
73.02912	2.7
79.05487	9.2
81.03408	7.0
81.07053	13.2
83.00912	0.3
83.01342	3.9
83.04976	5.3
83.08614	10.1
85.02899	12.4
85.06525	1.1
85.10179	7.5
87.04440	0.5
89.05994	0.7
91.03440	0.5
91.03951	7.3
91.05477	5.0
93.07041	10.8
95.04964	3.3
95.08603	12.1
96.04457	0.4
97.02891	5.9
97.06516	1.9
97.10175	3.1
98.20688	0.5
99.04465	2.5
99.08064	0.5
99.11705	0.5
103.05446	0.4
103.07543	0.8
105.07029	4.2
107.04959	4.0
107.07890	0.4
107.08588	6.6
109.02814	0.6
109.06507	3.7
109.10156	5.2
111.04445	1.5
111.08038	0.8
111.11713	0.8
113.13227	0.3
117.07011	4.1
119.08577	4.5
121.06516	1.8
121.10132	3.9
123.04411	0.6
123.08074	5.4
123.11704	2.0
125.05958	0.9
125.09602	0.7
127.03914	3.0
129.06961	0.8
130.07726	0.5
131.08563	1.6
133.06494	0.4
133.10089	1.0
135.08020	0.9
135.11688	6.0
137.09558	0.9
137.13220	0.8
143.08507	0.4
145.04953	2.1
145.10117	9.2
147.07993	1.2
149.09595	0.7
153.12727	1.6
155.08493	1.1
163.05997	3.7
163.11172	14.8
163.12553	0.7
164.11543	0.5
173.09621	1.9
174.44408	0.3
181.12251	1.9
183.12215	0.3
184.07320	0.9
191.10689	1.8
209.11723	4.7
226.34375	0.3
227.12779	2.3
239.23830	1.7
257.24765	1.4
267.08746	0.3
283.15381	100.0
284.15643	1.7
298.27283	0.4
313.27344	74.0
314.27689	1.7
521.38367	50.7
522.38721	1.3
589.38208	0.3
602.26129	0.3
781.03247	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	874.4784
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	15.3
64.06930	0.7
65.03934	1.4
67.05502	33.1
67.99021	0.9
68.35554	0.8
69.03422	3.5
69.07067	6.7
71.04987	4.1
71.52032	0.6
71.52442	0.9
73.02923	5.1
79.05488	37.7
81.03410	12.4
81.07048	35.3
81.07530	1.6
83.01337	7.2
83.04979	8.8
83.08610	13.2
85.02899	19.1
85.06537	2.3
86.09712	4.7
91.03951	10.6
91.05473	23.6
92.37744	0.8
93.07037	50.5
95.04948	7.7
95.08598	21.0
95.09187	1.5
96.04527	0.9
97.02890	10.3
97.06512	5.4
97.10145	4.4
99.04452	3.0
99.08097	2.5
104.10759	0.8
105.07018	15.7
106.07393	0.8
107.04961	6.8
107.08583	22.3
108.44713	0.7
109.02834	0.9
109.06516	6.7
109.10162	8.9
111.04447	2.2
111.08085	3.4
115.03942	1.1
117.07001	10.5
118.68081	0.8
119.08573	13.2
119.45801	0.8
121.06528	2.3
121.10132	21.1
123.08054	6.7
123.11718	3.4
124.99999	2.5
125.05966	0.9
125.09531	3.9
126.28790	0.8
127.03898	3.9
129.05499	1.0
129.07011	2.2
130.07813	1.6
131.08546	11.7
133.10133	10.3
135.08032	3.1
135.11671	22.1
137.09630	2.4
143.08566	1.6
145.04945	4.9
145.10117	17.7
147.08041	1.6
147.11656	5.7
149.09636	2.1
149.13258	7.0
151.11171	1.3
153.12769	1.4
155.08530	1.5
157.10095	1.9
159.11699	7.6
161.13274	1.6
163.06024	5.7
163.11165	19.4
171.11700	1.7
173.09633	2.9
173.11993	0.9
173.13243	5.1
181.12222	3.7
184.07323	12.7
185.13264	0.8
187.14806	2.4
189.11183	2.2
191.10654	3.2
193.12218	0.8
209.11661	6.2
213.16478	0.9
215.17914	14.9
227.12758	10.6
231.17442	2.2
231.74065	0.7
233.18996	18.2
249.18668	1.0
253.19472	1.2
267.15964	1.5
271.20682	3.4
275.20029	1.3
283.15378	100.0
284.15744	1.6
289.21680	2.1
305.21106	1.4
307.22653	53.3
308.23264	0.9
355.15265	1.1
405.27887	2.1
409.69656	0.9
423.29022	2.8
441.29959	3.0
459.31149	1.1
487.34003	1.7
497.32660	5.5
515.33661	46.0
516.33887	2.0
533.34845	5.0
821.94281	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	858.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02926	3.6
65.03942	1.1
67.05498	2.2
68.05000	0.6
69.03420	9.4
69.93054	2.4
70.02941	1.1
70.06561	0.8
71.01352	1.0
71.05005	1.3
73.02901	2.3
79.05489	7.9
80.05011	2.8
81.03420	5.2
81.07066	2.2
82.06589	2.9
85.02904	17.3
85.03387	1.4
87.04475	2.2
91.03954	1.3
91.05473	3.3
93.07041	1.0
94.04179	1.0
94.06580	1.5
95.04967	10.1
96.04499	3.0
96.08145	1.2
97.02900	8.7
97.94453	0.7
99.04469	1.7
101.02382	0.9
103.03960	1.9
103.05483	2.4
105.03391	1.8
105.07039	1.7
106.06549	23.2
107.04955	5.7
107.06750	0.8
108.04484	1.3
108.08112	2.3
109.02868	5.8
109.06535	2.3
111.04448	2.4
115.05444	1.3
118.06529	12.3
119.04936	1.8
120.08141	1.1
121.02876	0.7
121.06515	2.0
122.06041	1.6
123.04401	6.0
124.03941	17.3
124.07603	3.2
125.02416	0.7
126.05524	3.6
127.03926	4.0
130.06557	2.1
131.04965	1.9
132.08072	1.6
133.02802	1.7
133.05315	0.6
133.06522	2.0
134.06013	3.6
135.04411	4.8
136.07553	1.7
137.06024	2.1
138.05519	2.5
138.09149	2.0
139.03891	27.0
140.03398	1.3
140.07050	5.4
141.05502	3.4
143.04948	1.4
144.04475	1.8
145.02867	1.9
145.04918	1.4
146.06027	1.1
148.07562	11.0
149.06010	3.1
150.05545	2.2
151.03911	8.6
153.05417	1.2
156.06573	0.9
159.04454	2.0
160.07588	6.9
161.05998	4.1
162.05545	3.1
163.03876	3.7
164.07129	1.0
165.05472	56.8
166.08678	1.8
167.07045	1.7
170.06015	1.2
171.04439	4.2
176.07066	25.3
176.08553	1.4
177.05461	9.7
177.06935	1.0
178.08693	1.0
179.06992	0.8
180.10222	0.9
181.04968	2.1
181.08621	0.8
181.39685	0.7
183.06570	0.8
188.07060	12.4
189.05447	11.0
189.91496	0.9
191.07047	0.9
194.08133	4.2
195.06552	1.0
199.03946	2.4
203.07021	10.1
206.08107	6.6
208.09651	13.6
209.06387	0.9
209.08051	3.7
209.09938	0.7
214.08807	0.7
216.90410	0.8
217.05063	0.8
218.08115	0.8
220.09737	6.9
226.10710	4.8
238.10738	26.0
242.04584	2.1
246.07672	1.1
248.09311	1.7
263.10498	0.8
274.07242	2.3
274.63959	0.7
275.10355	0.7
283.12994	0.9
307.12933	0.9
309.14526	2.3
312.08817	0.9
313.78928	0.8
326.10135	0.9
335.12375	1.4
355.09241	0.8
355.13095	0.7
387.15662	1.5
388.16080	2.8
400.15991	53.9
401.16364	1.2
405.28015	0.8
445.18503	1.1
455.16989	1.4
469.18060	1.2
471.19775	5.0
473.19107	1.4
491.20172	1.0
497.17532	3.3
523.22791	1.2
549.20990	2.3
551.18707	1.6
577.17981	1.6
583.21515	2.3
607.25354	1.4
608.23657	1.6
609.19434	1.8
621.22931	1.7
635.24377	4.9
647.20917	2.5
653.25452	25.2
654.25629	1.1
659.23090	1.0
679.23407	19.6
680.24030	1.2
815.30725	100.0
816.31207	7.3
841.28601	32.5
842.29016	2.6
858.31427	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	873.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	0.3
67.01860	0.5
67.05486	0.5
68.99792	0.5
69.07042	0.3
69.98554	1.2
70.06593	0.3
71.07361	0.3
79.05472	0.6
80.97588	0.2
81.03416	1.5
81.07022	0.4
85.02905	0.6
85.04816	0.2
86.09696	2.6
87.10007	0.2
89.03898	0.4
91.05461	0.6
93.07023	0.4
95.04953	0.7
95.08593	0.3
97.06486	0.4
98.21605	0.3
104.10731	0.7
107.04951	0.7
109.02906	0.3
111.04440	0.6
119.08589	0.4
124.99998	2.2
125.05979	0.4
131.04915	0.4
135.04420	1.5
137.02321	0.4
137.05983	1.1
137.09579	0.4
144.71455	0.2
145.06543	0.3
147.04376	0.3
151.07535	0.3
153.01848	4.4
153.05420	1.1
160.58633	0.2
161.02367	0.5
161.05995	0.4
163.03864	0.3
165.05438	0.5
165.09094	0.3
167.07040	0.9
171.02846	0.8
179.03435	0.3
181.04924	0.3
184.07346	8.5
185.07657	1.3
193.12242	0.4
213.05440	0.3
240.07782	0.4
241.04967	0.4
251.61957	0.3
253.08684	0.7
253.12337	0.4
265.08701	0.3
267.15976	1.1
268.16220	0.4
269.04553	0.5
275.11185	0.2
283.09750	0.3
287.05493	100.0
288.05826	2.4
299.12683	0.3
301.64487	0.2
309.11142	0.5
310.12082	0.3
313.10626	0.7
319.57977	0.3
327.12344	2.0
328.12674	0.3
331.15457	0.6
341.13696	0.4
359.14865	10.9
360.14905	0.4
361.16476	0.5
371.14600	0.3
412.20779	0.6
413.21484	0.4
459.27350	0.9
460.27921	0.6
477.28284	0.5
478.28891	0.6
748.35254	0.3
759.06848	0.3
873.34595	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.3785
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01855	0.4
67.05482	0.6
68.99783	0.5
69.03413	0.1
69.07059	0.2
71.04988	2.6
71.52409	0.2
79.05517	0.5
81.03414	0.4
81.07055	0.6
83.04962	0.4
83.08590	0.1
85.02900	3.2
86.09696	0.3
91.05473	0.5
93.07054	0.6
95.04961	0.1
95.08587	0.4
97.02869	0.2
105.07026	0.3
107.04923	0.2
107.08574	0.3
109.02862	0.1
109.06543	0.1
109.10160	0.3
111.04437	0.5
119.08547	0.3
120.30267	0.1
121.10178	0.1
127.03920	0.4
129.05463	1.1
131.08504	0.2
133.10068	0.2
135.04422	1.5
135.11734	0.2
137.02330	0.4
145.10046	0.2
147.11658	0.1
149.13350	0.2
153.01820	4.3
159.51488	0.1
161.02304	0.7
171.02908	0.9
179.03386	0.2
184.07275	0.4
185.06117	0.1
192.90079	0.1
203.03362	0.1
213.05505	0.2
219.06485	0.2
237.07625	0.1
241.04953	0.5
245.04413	0.2
261.22086	0.2
269.04465	0.3
287.05475	100.0
288.05792	2.1
308.08386	0.1
329.06540	0.3
387.25299	0.2
709.31909	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.4375
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02932	11.4
65.03933	1.0
67.05508	28.4
69.03432	7.0
69.07063	8.2
69.37644	6.7
70.06580	1.5
71.04996	7.4
73.02905	3.2
79.05495	31.2
81.03420	98.7
81.07057	38.0
83.04498	1.4
83.04984	24.3
83.08624	31.8
85.02905	43.6
85.06536	2.3
87.04469	0.9
91.03950	6.6
91.05482	48.8
93.06489	1.5
93.07046	24.6
95.04973	43.0
95.08607	13.6
97.02902	10.6
97.06529	4.9
97.10165	7.2
98.20712	1.6
99.04457	2.0
99.08079	2.2
103.05470	1.2
105.07031	33.2
107.04958	11.3
107.08595	11.5
109.02887	1.1
109.06533	8.0
109.10175	4.2
111.04426	3.3
111.08087	15.7
113.06007	3.1
115.05465	2.0
117.07016	3.9
119.04948	2.0
119.08579	29.4
121.02894	0.8
121.06515	3.4
121.10126	13.6
123.08060	3.4
123.11697	3.0
125.09606	2.6
127.03889	2.6
128.06233	0.8
129.05508	0.9
129.06996	16.8
130.07581	0.9
131.04843	1.5
131.08574	18.0
133.06494	4.6
133.10132	18.3
135.08028	1.2
135.11681	1.2
137.05988	1.3
137.09583	3.5
142.07822	4.2
145.05023	1.1
145.06493	1.9
145.10121	2.9
147.08064	4.8
147.11691	23.5
149.05911	1.2
149.09604	9.6
157.10133	25.1
161.09645	0.8
163.05995	2.1
163.11119	1.4
165.12793	5.3
167.07053	3.4
168.07391	0.9
168.98540	0.9
175.11191	26.7
181.05025	1.0
189.11304	1.2
193.12248	64.3
211.13289	94.0
249.15070	1.2
267.15915	47.9
268.16098	1.3
285.16968	89.6
286.17255	2.4
309.81979	0.9
339.23514	1.0
367.22681	3.8
376.25418	1.0
385.19418	0.9
385.23550	4.7
403.24548	1.7
403.89188	1.0
423.25668	0.9
433.25668	2.5
441.26547	1.0
457.96365	0.8
459.27399	36.3
460.27817	1.5
477.28473	37.1
478.28656	1.5
495.29538	100.0
496.29944	3.6
639.33533	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	850.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	6.5
67.05479	0.6
67.24955	0.3
67.66141	0.3
68.05013	0.6
69.03412	0.5
69.07053	0.6
70.06585	25.1
70.14566	1.8
70.14912	0.4
71.08630	3.9
71.49202	0.3
72.08134	0.6
74.06056	0.4
75.91463	0.3
79.05456	0.6
81.03378	0.4
84.08128	0.4
85.10172	1.4
86.09698	1.2
88.07621	31.0
93.03419	0.4
95.04893	0.5
102.09172	22.4
104.02585	0.4
104.10690	0.6
105.03366	0.8
121.02876	2.4
121.03692	0.5
128.15555	0.4
131.04910	0.9
133.02835	1.0
136.01555	0.4
139.03897	3.9
147.04414	2.1
149.02335	100.0
149.03430	8.5
150.02647	1.3
154.86699	0.4
175.03865	3.0
177.05441	2.7
180.04132	0.7
184.07381	1.8
185.16972	0.5
191.07001	1.4
193.04947	52.7
194.05286	1.1
212.23701	0.8
219.06474	3.0
225.05484	0.3
237.07567	12.7
256.26331	81.1
257.26718	1.5
269.04337	0.6
297.03818	0.9
300.28989	0.9
313.07077	1.6
341.06439	3.8
343.08231	1.4
359.07614	2.6
385.09103	8.5
411.10678	0.6
429.11798	1.5
457.85327	0.4
533.10925	1.7
577.13354	10.3
621.15991	14.7
622.16254	0.8
640.34253	0.8
673.46289	0.4
832.38837	2.5
850.39929	97.4
851.39960	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	852.4216
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	6.7
65.03944	1.1
65.78044	0.4
67.05507	15.2
69.03439	3.3
69.07067	3.9
69.25986	4.7
70.06586	1.1
71.01327	0.5
71.04999	3.2
73.02905	1.7
75.90460	0.4
79.05494	16.0
81.03419	35.0
81.07056	17.5
81.07536	1.0
83.01347	4.4
83.04981	10.1
83.08620	14.6
84.01711	0.5
85.02905	18.5
85.06531	0.8
85.18056	0.4
88.17054	0.4
91.03957	4.1
91.04905	0.9
91.05481	18.5
93.07048	18.3
94.07363	0.6
95.04970	14.6
95.08606	8.1
97.02892	6.5
97.06519	3.6
97.10178	2.6
98.20712	0.9
99.04457	2.4
99.08082	0.7
100.42883	0.5
103.05493	0.8
105.07029	12.4
105.07697	0.8
107.04948	7.2
107.08595	9.8
109.02892	1.7
109.06525	5.2
109.10151	2.3
111.04446	2.6
111.08081	5.2
113.06017	1.7
115.05504	1.2
117.07018	3.6
119.04953	0.7
119.08582	11.2
121.06524	2.4
121.10137	6.7
123.04431	0.6
123.08073	4.5
123.11670	0.9
125.05981	1.0
125.09628	1.4
127.03937	2.4
128.06230	0.6
129.06999	6.1
130.07777	0.8
131.04942	1.1
131.08534	5.8
133.06514	1.6
133.10132	6.3
135.08057	1.3
135.11682	5.6
137.05968	1.1
137.09602	4.0
142.07761	0.7
142.50815	0.4
143.08519	0.5
145.04944	2.1
145.06557	0.7
145.10126	7.7
147.08020	2.9
147.11684	5.8
149.09622	3.1
151.03920	0.7
151.07547	0.6
153.12772	0.9
155.08565	0.9
157.10132	6.4
161.05904	0.8
163.03940	0.6
163.06027	1.7
163.11182	11.0
165.09158	1.4
165.12756	1.7
167.07047	2.9
173.05991	0.8
173.09648	2.0
175.07649	0.5
175.11218	7.0
177.05504	0.6
181.05023	1.4
181.12219	1.9
187.07619	0.5
190.06082	0.7
191.10680	1.2
191.14337	0.8
193.12241	18.8
209.11668	2.9
211.13290	30.9
212.13716	0.6
227.12834	2.8
267.15927	8.2
283.15399	36.5
284.15897	1.0
285.16968	25.6
287.05414	0.5
365.21219	0.6
383.22058	2.3
401.23087	0.8
457.25867	4.0
475.26913	16.8
476.27191	1.0
493.27969	100.0
494.28210	4.2
615.06287	0.5
637.31042	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	846.5486
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08161	6.1
67.05483	0.7
69.88663	0.2
71.07372	3.7
71.52739	0.6
79.05482	0.5
81.07060	0.4
86.09704	31.9
87.10024	0.3
91.05463	0.4
93.07009	0.5
98.98461	2.7
104.10741	3.5
105.07041	0.4
119.71022	0.2
121.67194	0.3
124.99998	20.2
126.67410	0.3
137.06052	0.3
166.02574	0.3
184.07335	100.0
185.07614	1.0
413.71872	0.3
445.03922	0.3
534.31732	0.5
646.37213	0.5
728.44543	0.6
746.46307	1.6
810.52734	0.3
828.53949	1.3
845.05219	0.3
846.54993	2.7
861.57422	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	846.5483
Annotation	Unknow
Peak:m/z	Relative Intensity
59.07393	0.3
59.38397	0.2
60.08160	5.9
61.39236	0.2
64.62193	0.2
64.77479	0.1
67.05505	0.5
70.06594	0.4
71.07369	3.3
71.52190	0.3
72.76633	0.2
75.53348	0.2
75.70045	0.2
79.05487	0.3
81.07022	0.4
86.09702	31.7
87.10036	0.3
91.05507	0.3
93.07056	0.2
95.08626	0.2
98.97865	0.3
98.98463	3.5
104.10738	4.1
107.08624	0.2
121.10118	0.3
124.99994	22.3
171.38028	0.2
184.07332	100.0
185.07642	1.0
197.55856	0.2
499.82724	0.2
502.94382	0.2
555.45172	0.2
587.54053	0.2
646.36389	0.7
728.44208	0.2
746.46179	1.2
828.52539	0.5
846.55109	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	848.4269
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03939	13.1
67.05518	21.1
69.03432	49.3
69.07059	8.0
71.03338	8.1
71.04998	19.5
77.03932	4.4
79.05496	25.7
81.03416	62.7
81.07061	55.9
83.01350	5.1
83.04990	6.3
83.08585	3.9
84.08137	3.6
85.02905	29.2
86.09666	5.1
91.05475	38.6
93.03391	13.8
93.07047	45.2
95.04968	79.6
95.08616	31.6
97.02898	43.8
97.06500	4.5
99.04449	17.3
103.05478	16.5
105.07025	43.6
106.50335	3.2
107.04954	52.3
107.08594	45.3
109.02883	79.0
109.06518	17.4
109.10163	28.0
111.04444	18.3
115.04033	4.0
115.05454	17.6
117.07014	72.4
119.04939	6.6
119.08585	44.8
121.02878	86.8
121.06499	34.1
121.10120	10.3
123.04423	37.9
123.08076	3.5
123.11663	9.5
125.02338	17.0
127.03931	86.5
127.11206	16.5
129.06972	14.8
131.04930	24.4
131.08571	9.5
133.06490	9.5
133.10161	21.2
135.04419	8.4
135.08026	16.2
135.11687	46.3
137.05972	24.7
137.09601	4.2
137.13229	3.2
139.03905	86.3
143.08540	3.7
143.10831	3.4
145.04884	5.4
145.05219	5.5
145.06488	94.2
145.10112	5.9
147.04411	8.1
147.08101	8.4
147.11708	21.2
149.02353	49.9
149.06003	27.7
149.13240	4.2
151.02890	3.4
151.03865	16.3
151.07492	4.1
153.05469	20.2
153.12799	3.6
155.04919	5.4
155.06081	7.4
157.06488	10.0
157.10185	4.2
159.04420	33.3
159.11668	4.1
161.05978	9.4
161.13264	9.3
163.03897	7.9
163.07556	49.8
163.11241	3.2
165.05466	18.0
165.09029	4.3
167.03397	29.9
167.07036	14.2
167.08505	3.2
173.05978	100.0
175.03880	12.4
175.07552	11.5
175.11227	4.9
176.31180	3.2
177.05479	14.3
177.09033	3.5
181.04994	16.5
181.06464	3.7
185.04504	10.8
189.05487	9.1
189.09079	3.2
191.07034	77.2
199.03896	3.1
199.06029	13.1
201.05482	18.5
203.17958	46.7
205.08549	16.9
207.06569	4.6
209.08157	7.3
213.05484	3.9
219.06511	59.1
221.19011	65.5
223.09575	8.3
227.03293	3.7
229.04890	3.6
233.08023	8.3
237.07561	67.6
239.07045	4.6
251.09213	13.1
255.08623	20.0
269.06946	5.0
269.10217	12.8
287.05405	5.1
293.06561	9.0
307.08124	7.1
311.07715	19.2
311.11050	5.4
325.09143	22.1
327.08606	5.9
343.10217	14.4
345.09644	19.6
355.15201	3.9
356.16037	3.6
359.11298	3.7
363.10776	47.1
372.68808	3.7
377.12314	25.8
381.11816	63.4
395.13382	41.6
413.14542	15.9
525.16138	4.3
540.10144	3.7
615.31354	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	830.5536
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06628	0.4
59.07390	0.2
60.08164	6.3
63.75412	0.1
67.05496	0.3
69.29493	0.4
69.29916	0.8
71.07374	3.3
79.05518	0.2
81.03455	0.2
81.07057	0.3
86.09705	30.0
87.10034	0.2
89.06017	0.2
91.05493	0.2
93.07040	0.2
95.04983	0.1
95.08600	0.2
98.98463	3.5
104.10753	3.0
111.49257	0.1
125.00002	19.8
131.23924	0.1
136.06178	0.6
138.90681	0.1
143.01094	0.3
157.72757	0.2
166.02640	0.3
184.07338	100.0
185.07721	0.6
227.20056	1.2
246.97211	0.1
414.24637	0.1
462.74820	0.2
500.30804	0.1
701.47308	0.2
712.45544	1.2
794.53491	1.3
812.40112	0.2
812.54260	3.2
830.55554	0.2
853.58832	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03935	2.8
65.42278	0.3
66.04698	0.3
67.05486	1.2
69.03413	0.7
70.06570	0.4
71.51079	0.3
71.51506	0.4
77.03930	0.4
78.04711	2.5
79.05482	1.9
80.53448	0.3
81.03397	1.2
81.07072	0.3
82.04213	0.7
83.10636	0.3
83.74528	0.3
84.04523	0.4
85.02896	1.5
86.24594	0.3
91.05478	4.7
93.03378	0.9
93.07051	0.4
95.04958	2.9
96.05746	0.4
97.00966	0.3
97.02873	0.4
97.06511	0.7
99.16084	0.3
103.05456	3.4
105.03387	0.5
105.07024	1.0
106.04176	1.6
107.04946	2.6
108.02122	0.5
109.02815	0.5
109.06498	0.5
110.03674	1.8
111.04438	1.5
115.05441	4.8
116.06232	0.4
117.07014	9.1
118.04153	0.5
119.04930	3.6
121.06510	1.5
122.03666	0.9
123.04429	8.4
124.05233	2.8
125.06007	1.5
127.05442	1.3
127.19909	0.3
130.04071	0.3
131.04921	3.6
133.02850	0.5
133.06525	0.6
134.03574	0.4
135.04408	0.6
136.05176	0.4
137.05972	8.7
138.03119	0.5
138.09009	0.3
139.07614	0.3
140.04659	0.7
142.02557	0.6
143.04927	1.0
145.06482	14.3
146.06917	0.3
147.04399	3.6
147.08058	1.2
148.05165	0.8
149.05980	1.2
151.03889	2.3
151.07512	2.3
152.04669	2.1
153.05432	2.3
155.06026	4.3
155.07043	0.7
159.04457	0.6
159.07925	0.4
160.05194	0.5
161.05951	0.9
163.03979	0.4
163.07545	3.3
165.05450	1.2
165.09084	0.4
167.07028	100.0
168.07396	1.7
171.04439	0.4
171.06526	1.8
172.05275	0.4
173.05981	24.6
174.06583	0.4
175.07545	1.7
177.05455	1.2
179.06956	1.6
181.04948	41.0
182.05351	0.7
183.06509	0.9
187.03809	0.5
189.09116	0.4
191.07037	2.7
193.08548	0.6
195.06551	0.9
201.05415	1.6
203.07027	2.5
205.08575	5.3
207.06480	0.4
207.08224	0.4
207.10074	0.4
209.08058	2.0
213.00835	0.3
213.05460	0.4
217.08583	1.0
219.06477	2.3
221.06015	0.4
221.08118	0.3
222.06790	0.4
225.07779	0.4
231.06534	1.1
233.08069	4.4
234.08875	3.7
235.07462	0.7
235.09618	4.7
237.09154	0.4
249.08791	0.4
250.06262	0.5
251.06969	0.4
263.06818	0.6
263.09201	1.0
265.08636	0.8
279.06613	0.3
279.10013	0.4
283.09796	0.4
287.05322	0.3
292.07123	0.4
293.08170	0.7
295.09622	0.6
296.71445	0.4
297.11206	1.0
299.09204	0.4
307.09503	0.7
309.07703	0.4
310.08490	1.0
311.09317	0.4
313.11130	0.3
325.10760	1.0
326.11575	0.6
327.12265	0.5
339.12402	0.6
353.10062	0.7
354.03589	0.3
355.11743	0.8
357.13290	3.3
367.11584	0.5
369.13083	0.4
381.13367	0.4
385.12805	15.1
386.13492	1.1
387.14365	5.0
397.13010	0.8
399.14536	0.6
411.14359	0.4
415.13980	0.8
417.15421	9.5
418.15787	0.7
429.15836	0.7
459.16376	0.4
565.21313	0.4
583.21783	2.3
613.22742	56.5
614.23132	3.4
641.22339	0.4
643.23779	9.3
644.24445	0.5
679.46375	0.3
791.28082	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.5453
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08157	6.9
67.05502	22.4
69.03407	2.4
69.07049	10.5
69.27956	16.7
71.05004	2.5
71.07375	2.3
76.92254	1.4
77.76562	1.4
78.51014	1.5
79.05489	20.1
81.03410	2.8
81.07056	26.7
83.04969	3.1
83.08610	5.2
85.02926	1.9
86.09705	31.6
87.92764	1.5
91.05479	20.8
93.07044	19.9
95.04970	4.3
95.08601	14.7
97.02869	2.1
97.06515	3.9
97.10143	2.5
98.20676	2.3
98.98461	3.1
104.10741	4.7
105.07018	18.2
107.08595	14.2
109.06570	1.8
109.10168	7.4
111.08066	2.1
115.05491	2.2
117.07033	10.4
119.08586	15.5
121.06445	2.4
121.10155	6.2
124.99988	21.0
129.06993	4.4
131.08554	11.3
133.10129	13.2
135.08031	2.4
135.11694	6.1
137.09738	2.0
141.06999	2.6
143.08542	5.5
145.10126	8.5
147.11702	8.7
149.09637	3.4
149.13210	3.5
155.08473	2.0
157.10161	4.6
159.11710	8.7
161.13266	3.8
169.10121	2.2
170.75606	1.9
171.11674	5.5
173.13274	4.7
175.14847	2.5
183.11716	4.3
184.07330	100.0
185.13251	1.6
195.11588	2.2
199.14856	3.0
213.16338	1.9
216.66579	1.5
241.19475	3.4
255.15941	1.6
258.80960	1.7
259.20679	8.6
266.26355	1.8
269.17545	4.4
273.18555	1.8
273.99515	1.5
275.20023	4.5
285.90881	1.8
329.66681	1.5
333.24283	6.9
389.59653	1.6
404.41724	1.6
435.62939	1.8
513.35706	4.3
515.38367	2.9
527.37262	8.6
545.38751	1.6
607.43213	6.3
625.44208	6.8
840.50250	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	830.3584
Annotation	Unknow
Peak:m/z	Relative Intensity
59.97503	1.8
65.03928	5.5
67.05507	3.7
78.04720	2.2
79.05487	6.2
81.03396	4.2
81.07040	3.0
83.82902	1.8
85.02897	2.0
89.90506	2.1
91.05466	14.1
93.07002	5.7
95.04958	9.1
95.08664	1.9
97.06503	3.6
103.05446	6.7
105.03325	3.1
105.07017	7.7
106.04142	3.6
107.04942	19.7
107.08592	1.8
109.06551	4.7
109.10159	2.8
110.03628	4.5
111.04431	10.6
115.05421	2.4
119.04928	5.1
121.02850	4.4
121.06515	13.0
123.04417	8.8
124.05212	3.2
125.06026	10.2
129.07001	3.5
130.18120	1.7
131.04893	9.3
131.08566	2.8
132.44963	1.8
133.02859	4.7
133.06456	6.4
135.04468	3.7
135.08014	4.6
136.05188	3.4
137.05962	26.7
137.09529	2.5
140.04692	2.1
145.06493	2.9
146.03467	1.9
147.04387	6.4
147.07997	2.2
148.05193	3.7
149.05963	10.6
151.03918	5.1
151.07526	22.9
153.05455	20.3
153.09004	2.7
155.07069	2.2
157.06508	4.7
159.08005	3.5
161.06015	14.4
161.09616	5.8
162.06726	2.6
163.03931	3.7
163.07549	13.3
165.05443	6.7
165.06903	3.3
165.09100	6.4
166.06229	3.5
167.07042	56.6
167.08450	4.2
171.08044	3.5
172.59157	1.8
173.05980	3.8
174.06764	4.4
175.07555	12.0
177.05484	11.1
177.09077	5.1
178.07846	2.4
179.07034	4.3
179.08508	2.9
181.04997	13.2
181.08604	18.1
182.07159	2.3
183.06532	2.7
184.07428	3.3
187.07578	2.8
189.09087	16.3
191.07033	24.3
192.09341	2.2
193.08574	11.7
194.07173	2.8
195.08075	4.7
197.09619	3.2
203.06876	2.9
205.06596	2.6
205.08531	2.0
207.06517	6.0
207.08180	3.1
207.10043	2.2
208.08679	2.3
209.06049	4.3
209.07980	18.9
209.09697	2.6
210.06790	5.2
211.07480	3.7
212.08279	3.2
217.08594	2.3
219.08150	3.2
219.10101	3.4
221.05968	4.3
221.07846	3.0
221.09747	4.0
223.07518	6.6
224.08217	2.4
225.07381	4.8
225.09187	5.6
227.07037	4.3
234.06720	4.6
235.07471	4.6
236.08212	2.0
237.09119	5.9
238.06227	2.1
238.09845	3.4
239.07057	5.0
239.10727	3.2
240.07863	7.4
241.08504	2.5
247.07504	2.5
248.16481	1.9
249.09055	8.5
249.11354	2.8
251.06949	4.8
251.10667	4.6
252.07681	5.7
253.08577	20.2
253.12119	4.3
255.06679	2.5
255.10092	7.3
257.08017	3.4
263.06943	2.2
265.08505	5.5
266.05936	2.5
266.09274	4.8
267.06598	2.6
267.10083	6.0
268.07205	2.5
269.08051	5.1
270.08829	7.5
271.13190	2.8
281.08337	4.4
281.11737	6.7
283.09610	13.1
283.12927	3.9
284.10211	3.2
285.07535	3.0
285.11215	8.0
293.11871	2.4
294.08929	2.5
295.09647	7.2
296.10376	3.2
297.11084	8.2
298.08530	3.1
298.12027	2.9
299.12680	2.8
300.09833	5.7
302.11380	2.3
308.09842	2.8
309.11154	9.9
310.11697	2.7
311.09131	2.4
311.12625	5.0
313.10696	19.9
313.14316	7.9
315.12314	4.6
317.13892	4.0
323.12872	2.6
325.10248	2.5
326.11124	2.5
327.12219	20.5
329.13702	7.9
331.15442	7.0
339.12256	12.2
340.12845	2.2
341.13907	14.7
343.15192	5.5
344.15887	3.5
353.13733	5.3
357.13312	100.0
358.13705	3.5
359.14877	83.8
361.16437	19.4
369.13303	10.9
371.14914	21.0
373.16449	4.8
385.16443	9.3
401.16010	21.9
403.17401	7.8
418.16263	3.3
507.20206	3.4
519.19916	5.4
531.20239	2.1
537.21362	5.6
549.20905	2.3
567.22357	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	824.5512
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02898	4.3
65.03928	4.7
67.05504	100.0
69.03429	11.3
69.07063	26.8
69.33736	28.8
71.05003	6.6
79.05487	54.9
81.03403	10.5
81.07055	91.9
83.04966	6.9
83.08632	18.0
85.02868	4.1
85.06539	4.0
86.09699	9.0
91.05475	50.9
93.07040	77.5
93.07634	3.8
95.04962	10.5
95.08610	57.6
95.35650	4.7
97.02901	5.6
97.06544	8.8
97.10168	9.1
105.07032	38.3
107.04952	4.9
107.08598	38.7
109.06493	5.6
109.10165	19.3
112.21128	3.6
117.07005	15.9
119.08574	28.9
121.06516	3.8
121.10136	31.4
123.08008	4.5
123.11700	6.4
124.99976	6.0
125.09648	3.7
125.10593	3.6
127.03931	3.8
131.08580	22.4
133.10106	23.2
135.11710	19.2
143.08568	6.2
145.10132	17.2
147.11693	12.0
149.09613	6.2
149.13242	11.4
157.10162	8.0
159.11685	14.3
161.13263	5.4
163.11142	8.4
163.14815	6.1
173.13254	6.4
184.07341	17.5
187.14816	4.6
197.13240	4.0
199.14851	5.1
222.11330	5.8
255.16084	7.4
257.19055	6.8
261.22067	7.5
269.17380	30.6
275.20016	23.5
291.33224	4.7
317.24820	4.6
335.25766	90.2
349.23663	17.6
465.08069	3.5
469.18762	4.0
515.37134	11.7
521.65967	4.5
529.38806	62.4
569.41919	11.2
589.16522	4.6
609.44965	18.0
634.78790	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	826.5166
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06602	0.9
60.08161	6.4
61.02924	7.9
65.20259	0.9
65.89146	1.0
66.44497	1.1
67.05500	39.5
68.98257	1.2
69.03455	1.1
69.07066	3.2
71.04992	1.1
71.07371	3.1
71.08633	12.6
71.50867	1.0
71.51309	1.8
73.02918	1.5
79.05509	1.7
79.46420	1.0
81.07050	8.8
83.08605	6.4
85.02900	8.4
85.06561	1.6
85.10182	6.4
86.09702	31.5
90.84337	1.0
91.03954	4.9
91.05495	4.5
93.07033	1.5
95.08604	10.7
97.02896	3.8
97.10156	2.3
98.98435	2.5
99.08067	1.1
104.10735	3.3
109.10149	41.5
111.08072	1.9
119.08562	2.4
123.11640	2.0
125.00001	21.0
127.03955	1.9
137.09625	2.4
137.13251	1.3
145.04945	2.9
155.10692	2.7
163.06061	2.0
167.35356	1.1
173.11702	11.5
184.07330	100.0
211.09653	2.1
216.69470	1.1
229.14343	62.5
230.14629	1.6
274.66156	1.0
313.27338	68.3
314.27939	1.8
467.37320	95.3
468.37689	3.3
615.48456	1.1
672.70880	1.4
826.51392	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	828.5378
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06598	0.5
60.08160	6.5
67.05499	0.4
70.32055	0.2
71.07370	3.7
71.50755	0.2
71.51135	0.3
79.05484	0.4
81.07039	0.4
83.27302	0.2
86.09700	30.4
87.10032	0.3
91.05476	0.3
93.07038	0.4
95.08594	0.4
98.98460	3.6
104.10735	3.6
105.07037	0.4
121.04543	0.2
124.99995	20.8
131.08592	0.2
133.54375	0.2
136.06171	0.8
137.46239	0.2
143.01053	0.3
147.47928	0.2
161.05815	0.2
184.07329	100.0
185.07617	1.0
192.32748	0.2
198.48071	0.2
347.22360	0.3
540.41235	0.3
682.80249	0.3
728.44745	1.7
760.16382	0.3
810.51263	1.0
828.39929	0.4
828.53729	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	824.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02918	0.5
65.03943	3.3
67.05489	1.8
69.03417	1.6
69.67714	0.4
70.06586	0.8
71.51237	0.7
72.97723	0.5
75.04465	1.7
76.37721	0.5
77.03917	0.6
78.04708	2.4
79.05503	3.1
81.03418	1.4
82.04182	1.2
85.02904	4.6
89.03911	0.7
89.06057	0.6
90.95897	0.5
91.05481	6.8
93.03400	6.3
93.07034	2.8
95.04960	4.9
97.02872	1.2
97.06497	2.3
103.04817	0.9
103.05468	13.1
105.03372	1.4
105.07032	3.4
106.04166	12.9
107.04958	8.4
108.02076	0.7
109.02855	0.7
109.06508	1.5
110.03667	1.3
111.04455	0.8
115.05451	3.2
117.03361	0.8
117.07012	2.0
118.04147	2.3
119.04942	1.3
119.08559	0.5
119.75616	0.4
120.05717	0.7
121.06500	15.8
123.04419	2.1
123.08067	1.0
124.05192	1.0
125.05984	6.4
129.07014	0.7
130.04147	0.7
131.04929	12.2
131.08554	0.6
132.05679	0.9
133.02867	0.7
133.06493	4.0
134.03648	2.5
135.04405	0.9
135.08018	1.2
137.05984	3.8
138.03125	0.7
139.03877	0.6
139.07513	1.6
139.57350	0.5
141.06911	0.7
142.02589	0.7
143.04881	0.6
144.05672	1.2
145.02856	0.8
145.06497	3.0
147.04419	0.9
147.08003	1.4
148.05179	6.5
149.05977	26.4
150.06261	0.6
151.03880	1.8
151.07541	1.5
152.04683	1.1
153.05457	2.2
153.09094	6.6
156.05652	0.5
157.06483	1.1
159.04358	0.6
159.08026	1.4
160.05180	1.2
161.05971	4.1
162.06731	0.7
163.03876	1.8
163.07535	12.0
165.05487	1.7
165.06827	0.6
166.06198	0.7
167.07034	33.9
171.06555	2.4
173.05971	5.2
175.07533	2.7
176.04607	1.6
177.05486	15.5
179.07030	1.3
181.04955	49.9
181.08559	16.3
181.10188	1.0
182.05296	0.6
185.06039	0.6
186.13527	0.6
187.07486	2.8
190.06267	1.1
191.07024	48.0
192.07436	1.2
193.04944	0.8
193.08603	2.1
195.06563	3.6
197.08098	0.7
201.05479	1.0
203.07045	1.9
205.08578	3.7
207.06493	1.9
207.08249	0.7
207.10078	1.2
209.08084	100.0
210.08478	1.4
217.08603	2.7
219.06320	0.7
219.10179	1.8
221.08008	0.9
225.07547	0.9
233.08049	4.1
235.07544	1.2
235.09668	2.8
236.08246	0.6
245.08096	1.4
251.09225	0.7
263.06598	1.0
263.09146	13.5
265.08423	0.7
265.10880	0.9
267.10123	2.0
277.08582	0.6
279.10339	1.0
289.36322	0.6
297.11176	1.1
307.09601	1.1
325.10590	1.4
329.10202	1.0
333.06937	0.6
341.12866	0.7
344.12592	0.7
357.13306	3.3
358.62430	0.6
359.14764	0.6
367.11755	1.2
369.13452	1.6
371.14804	0.8
381.13162	1.3
385.12823	6.3
387.14444	1.1
399.14410	6.0
401.15616	0.6
417.15439	25.5
418.15753	1.1
524.74414	0.5
579.20630	4.9
580.21051	0.5
609.23254	0.8
858.86859	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.5844
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	0.8
58.06605	0.8
60.08165	7.1
65.13708	0.4
66.72840	0.4
67.05512	2.7
69.03410	0.6
69.07055	0.8
69.32449	3.6
71.07374	3.6
77.74926	0.3
78.06437	0.4
79.05485	1.5
81.07056	2.1
82.89339	0.4
83.08617	0.5
83.85807	0.4
86.09705	33.3
91.05459	0.8
93.07037	1.3
95.08588	1.6
97.06480	0.5
97.10156	0.6
98.98455	3.0
104.10728	2.3
105.07008	0.7
107.08577	1.1
109.10183	0.7
117.07070	0.5
119.08576	0.6
121.10174	0.8
125.00004	23.5
131.08536	0.5
133.10123	0.5
135.08044	0.4
137.12445	0.4
140.89510	0.4
162.61014	0.4
180.46700	0.4
184.07343	100.0
185.07697	1.3
192.09787	0.4
273.18726	0.5
291.19504	2.3
292.30783	0.4
335.25781	2.9
365.23218	1.6
476.02621	0.4
537.51678	0.4
625.44495	1.6
704.48718	2.8
754.52991	0.6
772.54175	1.4
822.59027	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
63.91869	0.8
65.03934	3.1
67.05480	1.2
69.03427	3.0
69.75026	3.0
69.75438	1.8
75.04465	2.8
78.04720	2.0
79.05504	4.1
81.03419	1.8
81.07028	1.2
83.04951	1.1
85.02915	4.5
91.05487	7.6
93.03400	7.4
93.07026	3.5
95.04945	4.6
97.02882	1.0
97.06531	2.8
103.04816	1.3
103.05461	11.9
105.07030	5.2
106.04176	16.9
107.04966	8.8
111.04471	1.6
115.05444	3.6
117.03396	1.1
117.07022	2.5
118.04163	2.6
119.04948	1.8
121.06506	17.8
123.04425	3.5
124.05225	2.0
125.05994	6.0
129.07011	1.6
131.04930	15.6
132.05679	1.4
133.02853	1.5
133.06490	5.9
134.03638	3.5
135.08041	1.4
137.05975	6.8
139.07547	2.0
142.02612	1.7
143.04996	1.1
143.06207	0.8
144.06630	1.0
145.02832	1.7
145.06503	4.3
147.04407	1.7
147.08025	1.2
148.05203	6.8
149.05983	28.0
151.03888	2.9
151.07582	2.6
152.04669	1.0
153.05434	3.1
153.09096	6.3
157.06522	1.3
159.08025	1.5
161.05957	8.6
163.03902	3.0
163.07538	17.2
165.05481	1.3
167.07045	43.0
171.06561	1.7
173.05984	4.0
175.07544	3.1
176.04752	1.2
177.05469	16.2
179.07088	1.3
180.08768	0.9
181.04962	46.4
181.08577	15.7
182.05283	1.0
187.07582	2.1
189.05406	0.8
190.06201	1.4
191.07028	54.4
192.07558	1.6
193.04817	0.8
193.08582	4.0
195.06548	3.0
201.05478	1.0
202.44785	0.9
203.07037	1.3
205.08641	3.3
207.06410	1.2
207.10152	1.4
209.08090	100.0
210.08546	1.3
212.31987	0.9
217.08578	2.7
219.10117	2.9
233.08078	4.2
235.09657	3.7
248.00591	0.9
263.09216	13.7
267.10153	2.6
297.11072	1.7
307.09720	1.3
357.13293	2.0
367.11780	1.3
371.15057	1.8
385.12619	5.1
387.14294	1.3
399.14224	2.7
417.15430	16.3
444.72461	1.0
539.94873	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	816.5742
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06368	0.2
58.06628	0.4
59.07376	0.2
60.08162	6.7
67.05505	0.3
69.81689	0.3
69.82095	0.9
71.07366	3.5
81.07056	0.2
86.09702	34.6
86.78925	0.2
87.10035	0.4
95.08569	0.2
96.17092	0.1
98.98466	3.7
98.99052	0.1
104.10737	2.7
124.99995	22.1
143.01097	0.3
155.81976	0.2
184.07330	100.0
185.07693	1.1
197.53983	0.2
300.74222	0.1
314.42578	0.2
326.79047	0.2
535.79437	0.2
569.99438	0.1
716.48730	0.9
798.56671	0.7
816.57556	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.5326
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07071	0.3
58.06576	1.2
59.07374	1.0
60.08164	6.4
66.47405	0.2
69.32200	1.2
69.32628	0.7
71.07368	3.6
86.09704	30.9
87.10056	0.2
88.53533	0.2
93.82603	0.2
98.98459	2.8
104.10728	2.2
113.72070	0.3
120.31609	0.2
125.00001	19.9
143.01057	0.3
184.07335	100.0
185.07681	0.8
222.08791	1.1
224.10371	0.2
354.13138	0.4
373.11322	0.5
550.34570	0.5
569.32739	0.2
650.33350	0.4
650.43854	7.6
651.43823	0.5
676.44354	0.2
678.46527	0.5
820.53247	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.5327
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07084	0.1
58.06575	1.2
59.07369	0.8
59.07627	0.1
60.08162	5.1
67.05500	0.3
70.13656	0.1
71.07371	2.6
71.08623	0.1
71.22131	0.3
86.09703	26.8
87.10048	0.2
98.97810	0.1
98.98455	2.7
104.10744	2.3
109.10192	0.2
124.99996	17.4
143.01036	0.3
146.64160	0.1
163.01500	0.2
166.02608	0.2
184.07332	100.0
185.07672	1.0
206.10208	0.1
222.08943	0.8
240.10011	0.1
282.10941	0.2
354.12952	0.4
373.11234	0.2
388.54028	0.1
478.32715	0.2
496.33759	0.1
518.17682	0.1
550.34760	0.3
571.98712	0.1
650.43872	6.1
651.43860	0.4
678.46643	0.5
706.45923	0.2
722.45502	0.2
820.53278	3.1
821.53320	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.416
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	17.0
61.02924	68.3
67.05135	2.0
67.05498	31.2
69.03427	26.1
69.07055	7.5
71.01353	3.1
71.04981	4.4
73.02913	23.7
79.05484	18.5
81.03406	18.6
81.07053	27.4
82.03120	1.2
83.01346	1.9
83.04984	3.2
83.08620	3.5
85.02900	100.0
85.06569	1.9
86.09709	1.8
87.04444	2.8
91.03952	57.0
91.05478	12.2
93.07043	20.4
95.04955	4.6
95.08598	23.7
95.09177	1.5
97.02888	71.6
97.06519	3.8
97.10163	2.3
98.20716	2.0
99.04446	14.0
101.02348	5.8
103.03946	10.8
105.07014	10.2
107.04922	2.1
107.08582	13.3
109.02854	11.6
109.06521	3.1
109.10151	11.9
111.04466	3.1
115.03918	6.2
117.05495	2.7
117.07008	4.1
119.08578	7.7
121.10136	11.7
123.08063	1.3
123.11703	4.1
127.03912	40.3
129.05479	4.9
129.06979	2.5
131.08571	9.2
131.23853	1.2
133.10101	6.4
134.10400	1.2
135.11656	9.5
137.05972	1.9
137.13292	1.9
143.08542	1.5
145.04942	30.2
145.10141	6.8
147.11697	5.2
149.02333	2.3
149.09624	1.3
149.13245	4.1
155.07114	1.7
155.08537	1.7
157.10135	2.4
159.06493	4.2
159.11639	6.4
161.13239	4.6
163.03944	2.6
163.06026	25.2
163.11234	1.2
163.14789	2.7
171.06529	3.1
171.11668	1.9
173.04453	1.5
173.13283	6.1
175.14818	1.7
177.12732	1.3
183.06502	10.0
184.07362	3.9
187.14861	3.6
199.14737	1.7
201.07635	6.3
201.16451	1.6
210.21875	1.4
211.11116	1.4
229.15575	1.7
243.21066	4.9
259.20639	2.7
261.22064	16.5
262.32358	1.4
277.21573	1.6
285.22156	1.2
289.21729	1.5
303.23172	3.0
315.23077	2.1
317.24872	1.5
319.22656	1.7
327.23099	1.4
333.24521	1.4
334.16724	1.5
335.25769	58.8
336.26077	3.0
341.24597	1.6
351.23260	2.0
363.25333	1.6
369.24213	5.7
377.26855	4.0
389.26941	1.5
405.25879	1.5
443.27710	6.2
461.28967	5.5
479.30005	9.3
497.31006	3.2
614.87677	1.4
730.50903	1.5
817.39844	1.3
841.43079	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	814.5583
Annotation	Unknow
Peak:m/z	Relative Intensity
57.76019	0.1
58.06631	0.5
60.08159	5.6
62.77370	0.1
67.05498	0.3
69.72025	0.8
71.07368	3.2
71.10101	0.1
79.05476	0.2
81.07039	0.3
86.09700	30.1
87.10027	0.3
90.31784	0.1
90.82764	0.1
91.05497	0.2
95.08572	0.2
98.98457	3.1
98.99059	0.2
104.10735	2.1
109.10118	0.1
120.90749	0.1
124.99996	19.9
143.01024	0.4
166.02640	0.2
184.07326	100.0
185.07652	0.5
213.64745	0.1
313.56812	0.1
438.83643	0.1
518.31970	0.2
741.73987	0.2
778.53729	6.3
779.53271	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	814.5585
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07059	0.3
58.06364	0.3
58.06630	0.5
60.08163	5.9
67.05502	0.4
69.71740	1.2
70.06600	0.2
71.07372	3.3
79.05482	0.2
81.03429	0.2
81.07049	0.5
86.09702	30.5
87.10053	0.2
91.05448	0.2
95.08605	0.2
97.90628	0.2
98.98462	3.0
104.10745	2.8
105.07005	0.2
124.99998	19.3
143.00996	0.2
166.02684	0.2
184.07332	100.0
185.07681	1.0
233.02777	0.2
235.76959	0.2
241.14256	0.3
283.15198	0.2
313.27133	0.3
315.17963	0.3
521.38318	0.3
521.60266	0.2
553.40753	0.2
714.46112	0.7
780.06158	0.2
796.54401	0.4
814.55463	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	812.5433
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06357	0.2
58.06625	0.4
60.08162	6.4
67.05491	0.3
67.66340	0.1
71.07372	3.4
71.07761	0.2
71.44530	0.2
74.38375	0.1
79.05515	0.2
81.03407	0.2
81.07054	0.3
86.09705	31.3
87.10028	0.2
91.05482	0.3
95.08589	0.3
97.06525	0.2
98.98464	3.1
104.10735	2.2
105.07029	0.2
107.08588	0.1
116.99538	0.2
119.08607	0.2
124.99999	20.7
143.01028	0.3
143.80470	0.1
145.10173	0.1
175.86624	0.1
184.07336	100.0
185.07663	0.6
194.74477	0.1
205.12971	0.1
218.71608	0.1
240.61053	0.2
277.17725	0.2
343.90564	0.1
372.00632	0.1
520.27563	0.2
552.59485	0.2
776.38409	0.3
776.52173	5.8
777.51794	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	812.5426
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06609	0.4
60.08162	7.4
67.05492	0.4
71.07368	4.9
71.52975	0.3
81.07050	0.4
86.09702	37.8
87.10054	0.4
91.05461	0.2
94.20209	0.2
95.08604	0.3
98.98466	4.6
104.10746	2.8
124.99998	24.7
128.28822	0.2
143.01001	0.5
170.74168	0.2
184.07335	100.0
185.07678	0.6
334.98218	0.2
386.41443	0.2
629.47650	0.5
637.57489	0.2
724.66199	0.3
753.45673	0.4
778.52966	0.4
812.54272	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	810.5274
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06633	0.6
59.07392	0.2
60.08161	6.5
62.07460	0.2
62.53342	0.2
67.05521	0.5
69.07133	0.2
69.09509	0.1
70.48083	0.2
71.07372	4.0
71.08640	0.2
79.05475	0.2
81.07076	0.4
86.09702	32.7
87.10033	0.3
91.05454	0.4
93.07041	0.2
95.08611	0.3
98.98459	3.2
104.10736	3.1
123.18630	0.2
124.99997	21.6
133.10146	0.2
143.01039	0.5
184.07332	100.0
185.07625	1.0
311.74786	0.2
792.51599	5.5
792.66010	0.3
793.51996	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	812.5431
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06343	0.2
58.06603	0.4
60.07851	0.3
60.08160	6.5
67.05494	0.4
71.07363	4.0
80.11852	0.2
80.38914	0.2
81.07008	0.3
86.09700	31.8
86.43095	0.2
88.68656	0.2
91.05456	0.2
98.98454	3.2
104.10728	3.0
124.99993	20.5
143.01093	0.5
184.07327	100.0
185.07675	0.7
262.04578	0.2
281.07541	0.3
479.41409	0.2
518.32410	0.3
794.53107	8.7
795.52795	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	810.5287
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06335	0.2
58.06600	0.4
60.08161	7.0
67.05495	0.3
67.37009	0.2
71.07368	3.8
79.05489	0.3
81.31673	0.2
86.09702	36.2
87.10029	1.1
98.20782	0.3
98.97868	0.3
98.98460	3.9
104.10737	3.3
106.05724	0.2
123.62905	0.2
124.99996	23.4
126.00371	0.3
135.11598	0.2
138.22713	0.2
143.01031	0.5
170.41141	0.2
182.35460	0.2
184.07330	100.0
185.07695	3.3
186.07837	1.2
209.32457	0.2
209.75818	0.2
229.56992	0.3
262.84592	0.2
413.02707	0.2
534.31732	0.2
692.47162	0.3
714.81854	0.2
774.53522	0.3
792.55676	0.3
810.52673	5.4
811.52063	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
57.77601	0.2
62.57520	0.2
63.02361	0.2
65.03935	2.7
66.04707	0.3
67.05482	1.0
69.03410	0.9
71.51302	0.5
77.03906	0.3
78.04709	2.6
79.05501	2.1
81.03394	0.5
81.07049	0.5
82.04176	0.6
83.04971	0.3
84.13967	0.2
85.02901	1.3
86.09684	0.6
87.52629	0.2
91.05475	4.2
93.03374	0.9
94.04157	0.5
95.04974	1.5
96.05699	0.3
96.80988	0.2
97.02874	0.5
97.06516	0.9
102.04638	0.2
103.05464	2.5
105.03341	0.3
105.07012	0.9
106.04195	1.4
107.04958	2.4
107.08575	0.3
108.02064	0.4
109.02867	0.3
109.06511	0.3
109.10115	0.3
110.03678	1.5
111.04436	1.4
115.05447	5.4
117.07017	9.2
119.04951	3.3
119.08578	0.4
120.08077	0.5
121.06522	0.5
121.10120	0.3
122.03642	1.2
123.04424	7.7
124.05219	2.3
125.05965	1.2
127.05432	1.0
128.06219	0.4
130.04095	0.3
130.87227	0.2
131.04900	1.0
131.08609	0.2
132.05721	0.3
133.02855	0.6
133.06488	0.7
134.03619	0.6
135.04396	0.6
137.05972	13.8
138.03108	0.8
139.03923	0.4
142.02606	0.9
143.04953	1.2
145.06485	14.0
147.04411	3.7
147.08032	0.7
148.05136	0.3
149.05989	0.5
149.83005	0.2
151.03905	2.5
151.07542	1.0
152.04691	2.2
153.05455	2.8
153.55801	0.2
155.04860	0.5
155.06021	4.3
155.07166	0.3
160.05186	0.3
161.05980	0.9
163.03932	0.5
163.07481	0.3
165.05479	1.0
167.07037	100.0
168.07318	1.4
171.04428	0.4
171.06528	2.2
173.05986	24.4
174.06633	0.4
175.03804	0.3
175.07564	1.3
176.04674	0.3
177.05486	0.5
179.07025	1.1
181.04953	36.5
182.05290	0.6
188.04692	0.5
189.05510	0.5
189.09030	0.3
189.16330	0.2
190.06172	0.4
191.07095	1.1
193.08623	0.2
194.07362	0.3
197.69574	0.2
200.04707	0.3
201.05498	0.9
201.09140	0.2
201.16467	0.2
203.07022	1.6
204.07735	0.4
205.08601	5.7
209.07957	0.3
213.05440	0.4
219.06575	0.6
221.07964	0.4
224.08142	0.2
225.08995	0.2
231.06485	1.1
233.08041	4.3
233.10110	0.4
234.08850	0.4
235.07477	0.4
235.09628	4.8
235.11847	0.3
237.09149	0.5
247.07556	0.3
250.06276	0.3
251.06883	0.4
256.35339	0.3
263.06940	0.4
264.07626	0.4
265.08640	0.9
267.10120	0.3
279.06552	0.2
280.07355	0.2
281.07990	0.3
283.09799	0.6
287.05777	0.3
293.08002	0.8
295.09525	0.6
296.10474	0.3
297.11288	0.7
301.07150	0.3
307.09644	0.3
310.08313	0.8
311.09186	0.3
323.09286	0.3
325.10706	1.0
326.11612	0.4
327.12207	0.2
339.08594	0.3
340.12640	0.4
342.10861	0.4
353.10181	0.4
355.11813	0.6
357.13315	4.3
369.13510	0.4
370.10190	0.3
370.14243	0.3
372.15369	0.3
385.12820	13.4
386.13422	0.7
387.09418	0.5
387.14401	9.4
388.14700	0.4
417.15454	8.2
418.15881	0.4
515.17017	0.3
565.21002	0.3
583.21783	2.3
606.67267	0.2
613.22784	64.0
614.23090	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	809.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
58.56327	0.2
61.68118	0.2
65.03676	0.2
65.03938	2.3
66.33688	0.2
67.05491	0.6
69.03402	0.6
71.51235	0.4
78.04704	2.6
79.05495	1.5
79.31715	0.2
81.03398	0.5
81.07065	0.2
82.04188	0.5
85.01536	0.3
85.02919	1.2
91.05479	3.9
93.03381	0.5
94.04159	0.3
95.04968	1.3
96.05725	0.4
97.02847	0.3
97.06505	0.6
101.02312	0.2
103.05478	2.5
105.03374	0.3
105.07006	0.5
106.04146	1.4
107.04967	1.7
108.02119	0.3
109.02861	0.4
109.06504	0.5
110.03632	1.0
111.04411	0.7
115.05449	5.4
117.07010	8.5
119.04118	0.3
119.04937	3.3
119.08534	0.3
121.06508	0.4
122.03617	0.7
123.04429	7.1
124.05194	2.3
125.05997	1.1
126.42895	0.2
127.05455	1.2
128.06189	0.4
129.06946	0.3
131.04886	0.8
132.05707	0.2
133.02791	0.5
133.06471	0.4
135.04381	0.8
137.05968	6.9
138.03104	0.7
142.02597	1.0
143.04901	0.6
144.05728	0.4
145.06476	13.6
147.04408	3.9
147.08032	1.1
149.05943	0.3
151.03902	2.4
151.07521	0.9
152.04683	1.8
153.05441	2.3
155.04858	0.4
155.06032	4.5
160.05231	0.5
161.05992	0.8
163.03909	0.8
163.07553	0.5
164.07007	0.2
165.05484	0.7
167.07030	100.0
168.04225	0.4
168.07414	1.6
171.06522	1.7
173.05978	24.3
174.06441	0.6
175.07538	0.8
177.05409	0.2
179.07025	1.3
181.04945	35.0
182.05302	0.9
187.07576	0.3
190.06322	0.5
191.07018	0.7
193.08588	0.3
201.05418	0.8
203.06998	1.5
205.06644	0.4
205.08588	5.6
219.06573	0.7
220.07222	0.3
221.07957	0.4
222.06827	0.3
231.06482	0.8
233.08066	4.7
235.07365	0.2
235.09633	4.8
237.09108	0.3
250.06256	0.3
263.06998	0.4
265.08633	0.5
282.08920	0.3
283.09644	0.3
293.07953	0.7
295.09598	0.2
297.11200	0.5
310.08426	0.7
311.09058	0.3
323.09164	0.3
325.10699	0.9
326.11536	0.5
342.11041	0.3
353.10172	0.5
354.10541	0.2
355.11591	0.3
357.13306	3.2
369.12988	0.3
385.12790	17.0
386.13208	0.9
387.14340	4.5
406.57605	0.2
417.15451	10.3
418.16025	0.3
423.87784	0.2
464.03387	0.2
515.16577	0.3
583.21674	3.6
613.22760	77.6
614.23090	5.0
638.04639	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.569
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07067	0.3
58.06367	0.2
58.06625	0.4
59.00104	0.1
59.07395	0.2
60.08161	6.3
67.05488	0.2
70.06583	0.1
70.15873	0.1
70.76260	0.3
70.76633	0.2
71.07373	3.1
71.08646	0.1
76.27098	0.1
81.07068	0.1
83.08591	0.1
86.09702	31.6
87.09471	0.1
87.10038	0.4
98.98455	3.1
98.99058	0.2
102.48577	0.1
104.10738	2.6
109.10123	0.1
124.99997	19.2
125.70562	0.1
126.21510	0.1
143.01035	0.4
151.09128	0.1
154.27902	0.1
184.07332	100.0
185.07654	1.1
198.70885	0.1
313.27368	0.2
323.05450	1.3
333.13483	0.2
358.76367	0.1
407.14938	0.2
435.14417	0.8
479.17151	0.2
496.34073	0.2
650.43872	2.3
651.43872	0.3
680.99597	0.1
690.47211	1.0
713.46246	0.1
754.53082	0.5
772.54797	1.5
790.55847	1.4
808.56915	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	808.569
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07060	0.1
58.06631	0.4
59.07382	0.1
60.08161	6.1
65.05736	0.1
67.05502	0.2
70.06590	0.1
70.76558	0.2
71.07369	3.5
71.15860	0.1
81.07046	0.1
86.09702	29.2
87.10036	0.3
98.98458	3.2
102.09145	0.1
104.08719	0.1
104.10735	2.7
124.99995	19.7
143.01031	0.3
164.09100	0.1
166.02667	0.1
184.07330	100.0
185.07668	0.9
354.87869	0.1
378.42258	0.1
496.33591	0.2
514.31805	0.1
650.33289	0.1
650.43927	2.0
651.44196	0.2
653.41089	0.1
690.46960	1.5
754.53271	0.4
772.41467	0.1
772.54736	1.5
790.41656	0.1
790.55823	1.5
791.55994	0.1
808.57062	1.8
809.57233	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.5685
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07068	0.2
58.06633	0.6
59.07408	0.2
60.08158	5.9
67.05504	0.2
70.06596	0.2
70.95915	0.3
71.07369	2.9
81.07060	0.3
86.09702	27.8
87.10027	0.4
93.07020	0.1
98.98461	3.0
104.10735	2.5
116.99460	0.1
119.48234	0.1
123.05423	0.1
124.99995	18.6
143.01064	0.3
148.03796	0.1
159.22038	0.1
166.02657	0.1
184.07329	100.0
185.07632	1.0
496.33801	0.2
654.08325	0.1
690.47076	2.5
691.47943	0.1
754.52557	0.1
772.54645	1.5
790.56030	1.4
808.56720	1.8
809.57050	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.5536
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05030	0.6
57.07074	0.2
58.06583	1.8
59.07366	1.3
60.08163	5.3
67.05509	0.2
69.57198	0.9
69.57615	0.4
71.07368	3.0
79.05527	0.2
81.07025	0.4
86.09704	27.5
87.10044	0.3
92.07565	0.2
93.07030	0.3
93.75912	0.2
95.08579	0.3
98.98460	2.3
101.75583	0.2
104.10740	3.5
105.34538	0.2
125.00000	17.6
143.01065	0.4
163.01463	0.3
184.07335	100.0
185.07709	1.2
188.31796	0.2
222.08913	1.3
224.10428	0.2
227.62102	0.2
238.08531	0.2
240.09950	0.2
282.11020	0.4
335.25421	0.2
354.13290	0.2
373.11353	0.4
373.91333	0.2
496.33441	0.3
550.34668	0.3
603.07617	0.2
650.43835	0.4
772.54065	0.5
806.55060	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.5535
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05029	0.7
57.07065	0.1
58.06630	0.5
59.07391	0.2
60.08164	6.0
67.05510	0.2
69.07090	0.1
70.06594	0.2
71.07375	3.3
71.08630	0.1
71.53080	0.2
79.05492	0.2
81.07053	0.2
86.09704	28.9
87.10021	0.3
93.07045	0.1
95.08582	0.2
98.97800	0.1
98.98460	3.0
104.10741	2.6
124.99999	20.2
126.00267	0.1
143.01042	0.4
166.02667	0.1
166.66206	0.1
172.90160	0.1
184.07335	100.0
185.07722	0.8
232.52551	0.1
236.46541	0.1
323.05554	0.2
331.56076	0.1
383.11356	0.1
472.76273	0.1
496.33615	0.3
660.78699	0.1
690.47003	2.1
770.53290	1.4
788.54114	1.4
806.55518	2.0
807.55695	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.5533
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05035	0.8
57.07057	0.2
58.06367	0.2
58.06628	0.4
59.88714	0.1
60.08162	6.3
62.45509	0.1
67.05505	0.3
69.07072	0.2
69.23526	1.5
71.07366	3.6
79.05496	0.2
81.07066	0.3
83.08595	0.2
86.09701	31.8
87.10036	0.4
93.07018	0.2
95.08577	0.2
95.67570	0.1
98.98454	3.3
104.10747	2.8
105.07046	0.2
124.99995	20.8
143.01062	0.4
166.02618	0.2
184.07329	100.0
185.07668	0.9
262.08453	0.1
283.01865	0.2
496.33878	0.2
546.03119	0.2
650.43994	1.3
690.47009	1.3
752.52246	0.3
770.53241	1.0
788.54340	1.2
806.55261	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	805.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03468	1.1
60.08187	0.9
65.03963	0.5
67.05505	5.5
67.61327	0.5
68.99836	0.7
69.03479	0.6
69.07098	1.1
69.83871	2.7
69.84286	1.0
70.06641	0.9
71.04989	4.8
73.02966	0.7
79.05502	2.8
81.03464	1.0
81.07052	4.0
83.05009	1.2
84.08202	0.5
85.02905	10.1
86.09706	4.0
89.71516	0.5
91.05539	2.2
93.07104	0.7
95.05037	1.3
95.08656	1.4
97.02926	1.2
97.06585	0.9
98.98488	0.8
103.05550	1.7
104.10830	1.2
105.07032	2.4
107.05025	1.7
107.08678	0.6
109.02910	0.9
109.10217	1.8
111.04496	0.8
115.05493	1.1
119.05022	0.8
121.06577	0.8
122.06075	0.7
123.04492	1.5
125.00025	3.1
127.04044	0.5
129.05450	2.8
129.07085	0.9
131.05003	1.9
131.08632	0.6
133.02873	0.5
133.06546	1.1
135.04500	0.9
137.06003	2.6
139.03993	1.8
141.07108	0.8
142.15736	0.5
145.06537	1.1
147.04471	0.9
147.06624	0.7
149.06081	1.4
151.03943	1.4
151.07666	0.5
153.01830	26.9
153.05510	0.7
155.88280	0.5
159.08110	0.9
161.06093	1.8
163.03996	2.4
163.07620	1.1
165.05588	1.6
165.06989	0.9
167.07031	9.2
169.06589	0.6
171.02963	0.6
171.08112	0.7
173.06052	1.6
175.07628	0.7
177.05537	1.6
181.05011	3.5
183.04433	0.5
184.07344	14.1
185.06068	3.8
185.07805	2.2
187.03925	1.2
187.07590	1.1
189.09230	0.7
191.07104	2.3
193.06773	0.6
193.08696	1.4
197.05994	3.3
199.03998	0.7
199.07579	1.1
200.04855	0.6
201.05655	0.6
207.06538	0.9
209.07970	0.8
211.07607	1.4
213.05611	0.8
217.08714	0.8
221.06100	1.0
223.07726	0.9
235.07602	1.1
237.05540	1.3
239.07126	1.0
241.05023	0.7
249.05336	0.5
251.07079	1.1
253.04970	1.1
257.04538	1.7
258.05338	1.8
265.02646	0.5
265.05121	2.6
266.05768	1.2
267.06680	2.2
269.04645	0.8
271.05878	2.4
275.07092	1.7
277.09244	0.5
279.06689	1.9
281.04434	3.1
282.05301	1.3
286.04709	3.7
287.05460	5.8
293.04874	1.2
293.08658	1.4
294.05368	1.6
295.06042	7.7
297.03986	4.4
298.04749	1.5
299.05627	1.5
303.06476	9.7
305.08636	0.8
307.06049	1.3
309.04263	1.0
309.07581	1.2
311.05508	8.4
319.05951	0.8
321.03992	2.7
321.07700	2.5
322.04843	1.2
323.05502	26.6
324.06241	4.7
325.07147	1.8
327.04938	1.6
331.05988	11.4
332.06781	1.5
333.08380	0.8
334.04810	1.1
335.05527	2.2
335.09213	0.6
337.07016	4.8
337.10733	1.0
339.08728	0.8
339.12479	1.2
345.07660	0.8
349.07080	11.5
350.07800	14.3
351.09113	2.2
357.13580	0.8
363.08691	2.3
369.13376	1.2
377.10022	0.7
399.14795	0.6
433.16483	32.4
434.16638	1.0
443.14978	0.9
451.17850	2.5
461.15955	100.0
462.16196	3.1
479.17007	81.1
480.17609	2.1
497.18057	71.5
498.18253	1.5
551.22510	1.0
605.53516	0.7
641.22308	2.0
643.17249	0.9
659.23462	8.8
682.25677	1.5
683.27087	3.8
692.70697	0.7
805.29962	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.29
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.3
60.08162	0.5
65.03970	0.9
67.01889	0.5
67.05499	4.3
68.99797	0.6
69.03461	0.6
69.07104	1.5
69.81913	0.9
69.82330	1.7
71.04993	6.6
73.02927	0.4
75.04503	0.8
78.56494	0.4
79.05482	3.2
81.03447	1.2
81.07051	3.7
83.05022	0.9
85.02905	10.0
86.09741	1.7
91.05487	2.1
93.07076	1.1
95.05003	1.0
95.08627	0.5
97.02945	0.8
97.06576	1.2
98.15845	0.5
99.04473	0.5
103.05486	1.0
105.07084	1.4
107.05014	1.6
107.08617	0.7
109.02892	0.8
109.06529	0.4
109.10217	1.2
111.00842	0.5
111.04472	1.0
115.05480	0.6
117.07045	1.1
119.04975	0.5
121.06474	0.6
123.04458	1.1
125.00056	1.5
125.06048	0.5
129.05496	2.3
131.04987	1.0
133.02928	0.6
133.06534	0.8
133.10159	0.5
137.05969	3.2
139.03943	1.4
141.07040	0.5
143.04936	0.5
145.06549	1.5
147.04491	1.3
147.06564	0.8
149.06056	1.3
151.03966	1.2
151.07523	0.7
152.04678	0.5
153.01820	27.9
153.05533	1.0
155.08577	0.6
157.06566	0.9
161.02519	0.6
161.05988	2.3
163.03981	0.7
163.07584	1.3
165.05550	1.0
165.06902	0.6
167.07019	7.9
167.08441	0.7
169.06456	0.8
171.02986	0.5
171.04514	1.1
172.05235	0.7
173.06035	1.5
175.07646	0.7
177.05542	2.0
179.07164	0.9
181.04964	3.7
181.06415	0.8
184.05652	0.9
184.07413	5.0
185.06052	2.4
185.07578	0.5
187.03952	1.2
187.07651	1.2
191.07037	2.2
193.06853	0.4
193.08679	1.0
195.08159	0.6
197.05959	3.3
198.06795	1.0
199.07581	0.5
201.05533	0.6
207.06560	0.6
209.06126	0.8
209.08086	0.7
211.07677	1.4
215.07108	0.7
219.10109	0.6
223.07549	0.8
225.05510	0.5
227.07082	0.5
233.06093	0.9
235.07602	0.8
237.05577	1.6
237.09161	0.5
239.03377	0.6
239.07094	0.7
247.07564	0.8
249.08958	0.5
250.06375	0.6
251.07114	1.2
253.05058	1.5
257.04483	0.8
258.05264	1.9
263.06970	0.7
265.05060	3.1
265.08502	0.9
266.05862	1.2
267.06494	2.1
269.04489	0.5
271.06064	1.3
275.07114	1.5
276.07889	0.6
279.06595	1.7
281.04535	2.5
281.07880	0.9
282.05307	1.3
283.06079	0.5
286.04697	3.0
287.05319	2.8
293.04651	0.8
293.08194	1.1
294.05273	1.1
294.08755	0.5
295.05975	7.5
297.03934	3.8
297.11206	0.6
298.04639	1.3
299.05612	1.6
303.06503	8.9
306.05423	0.5
307.06024	1.7
307.09573	0.8
308.06802	0.6
309.03995	0.6
309.07581	0.7
310.04779	0.7
311.05530	9.3
321.03894	2.4
321.07687	2.8
321.11020	0.7
323.05487	26.9
324.06204	3.6
325.06952	1.9
325.10541	0.7
327.05115	1.0
331.05988	11.8
332.06796	1.1
334.04776	2.0
335.05469	2.0
335.09052	0.7
337.07111	3.9
337.10690	0.9
339.12268	1.0
349.07031	10.7
350.07828	15.5
350.97946	0.5
351.08478	2.6
353.10452	0.6
355.11703	0.6
357.13336	0.7
363.08588	2.8
369.13367	2.0
371.14954	0.8
377.09979	0.8
381.13730	0.5
399.14893	0.8
407.15247	0.5
417.14951	0.5
433.16464	30.4
434.16806	1.3
443.14926	0.8
451.17578	1.8
461.15945	100.0
462.16489	3.8
479.16995	83.5
480.17407	3.4
497.18045	68.4
498.18753	2.5
641.22205	1.9
656.43518	0.5
659.23389	6.5
660.23151	0.6
683.26581	1.1
805.29041	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05005	0.1
57.03446	0.2
60.08152	0.5
65.03928	0.3
67.01855	0.5
67.05486	0.4
68.67281	0.1
68.99796	0.5
69.03434	0.8
70.06570	0.2
71.04980	0.2
71.07372	0.3
77.03925	0.2
77.28497	0.1
78.15579	0.1
79.05489	0.6
81.03419	0.8
81.07070	0.3
83.01336	0.1
83.04972	0.3
85.02905	0.9
86.09706	2.2
87.10029	0.3
91.05474	0.5
93.07030	0.6
95.01319	0.1
95.04967	8.0
97.02891	1.6
98.98479	0.3
103.05461	0.8
104.10764	0.3
105.03376	0.3
105.04518	0.3
105.07005	0.3
107.04956	4.3
108.05302	0.1
109.02884	2.4
109.06532	0.2
111.04465	0.1
115.05460	0.2
117.03373	0.2
117.07028	0.1
121.06501	1.6
123.04440	1.7
124.03919	0.2
125.00016	1.7
125.02351	4.4
125.05976	0.7
127.03916	0.5
131.04918	0.5
133.02798	0.1
133.06508	0.2
135.04410	1.5
137.02376	0.7
137.05966	0.3
145.06485	0.2
147.04427	0.1
149.05978	1.7
151.03905	12.9
151.07520	1.3
153.00558	0.2
153.01820	4.1
153.05426	0.8
159.04425	0.5
161.02353	1.1
161.05960	0.2
164.53600	0.1
165.05513	0.3
167.07037	2.3
169.04979	0.1
171.02940	1.1
173.05963	0.4
175.11670	0.1
177.05475	2.9
179.03352	0.3
181.04953	1.3
184.07344	6.7
185.06200	0.1
185.07686	0.8
195.06531	5.6
201.05460	0.1
203.03433	0.2
205.08524	0.1
213.05544	0.3
213.07536	0.3
219.06538	0.6
233.08102	0.2
241.04897	0.8
245.04407	0.4
257.04233	0.1
263.05649	0.1
269.04443	0.3
271.05914	0.2
287.05493	100.0
288.05856	2.2
299.05560	0.4
313.07098	0.4
323.05667	0.2
323.14798	0.1
327.95587	0.1
329.06616	0.6
339.10855	0.2
367.04675	0.2
385.12827	0.3
387.14474	0.2
390.13840	0.1
393.05960	0.4
395.07761	0.2
397.12457	0.1
413.08640	0.1
417.15491	0.3
431.09955	0.2
449.10788	4.0
475.12326	0.5
555.11383	0.2
573.12549	0.8
581.12750	0.3
599.17383	0.4
607.14874	0.2
625.15485	1.1
643.15485	1.6
643.24359	0.5
805.20813	0.4
805.32513	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.3132
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.1
67.05497	3.3
69.03420	3.3
69.07055	1.0
70.06608	1.8
70.79877	2.7
74.18791	1.0
79.05488	4.3
80.04985	0.9
81.03418	4.1
81.07078	2.1
85.02920	4.4
86.09689	1.7
91.05480	3.6
91.43085	0.9
93.07051	3.5
94.06555	4.4
95.04961	2.0
95.07338	3.3
95.08614	2.1
96.08126	4.6
97.02864	1.8
97.06526	1.8
103.05443	1.3
105.06982	1.5
107.04952	1.6
107.08560	1.4
108.08105	6.2
108.08719	0.9
110.09702	7.3
110.10364	1.5
114.97201	0.9
119.08521	1.1
120.04458	2.0
120.08157	5.0
121.02901	1.0
122.06035	8.5
127.03956	1.7
135.04382	1.7
136.07533	7.4
137.05994	1.6
138.09132	8.0
145.10039	1.0
146.05969	1.2
148.07610	1.6
150.09120	1.2
163.03914	4.3
163.95680	1.0
166.08656	10.1
167.07068	1.8
172.07623	1.3
173.02391	1.3
173.05957	1.2
177.05365	1.1
184.07341	1.9
187.03815	1.5
211.08647	2.4
221.10802	2.5
235.08704	2.0
247.08710	2.0
248.09590	1.6
249.10197	13.8
250.97267	1.0
251.12010	1.2
261.10294	1.7
263.11813	1.7
265.09683	1.4
275.08255	1.5
277.09732	9.8
289.09512	1.3
291.11121	1.7
293.09238	1.3
309.12341	5.5
310.13162	1.4
313.12671	1.2
321.08710	1.3
322.12912	1.3
323.14301	1.5
324.11560	1.2
325.12775	1.1
326.12949	3.8
336.15045	2.0
339.13953	1.4
340.10861	1.9
340.14618	3.6
341.11517	1.5
342.12256	1.9
343.13062	1.6
353.11557	2.8
354.12350	6.2
354.16168	1.8
355.13275	2.9
356.13843	4.3
364.14362	4.9
366.12115	1.8
366.16132	3.8
367.13049	2.4
368.09976	1.5
368.13931	10.2
369.14612	4.7
370.15500	3.8
380.14102	2.7
382.11722	4.6
382.16162	6.8
383.16464	2.4
384.12943	1.3
384.17233	8.1
386.15118	1.5
392.14005	3.7
395.12842	1.5
396.13477	6.3
397.14127	4.1
398.14532	1.4
398.18814	9.5
400.16766	2.1
402.14340	1.8
408.13690	1.4
410.15024	6.3
412.16525	8.5
414.14539	2.1
415.15268	2.3
416.15271	1.6
420.13257	2.5
426.14047	5.1
428.15839	6.1
438.08820	1.8
438.14487	25.5
439.14975	1.3
442.17667	2.9
444.20078	5.2
452.16068	1.5
456.15573	37.9
458.17303	8.0
470.16721	1.8
476.11710	2.0
476.18188	32.0
488.18195	17.2
563.21954	1.2
581.23273	1.2
591.22498	5.9
595.25085	3.0
609.23492	23.2
610.23138	1.8
613.26880	1.6
623.24927	18.4
641.26062	100.0
642.26501	7.3
803.30847	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	803.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	5.1
59.06100	2.3
60.08160	1.8
61.02908	4.4
65.03926	2.5
65.93855	1.4
67.05493	5.7
68.39614	1.5
69.03426	21.3
71.04972	2.0
71.49908	2.7
73.02902	3.6
77.03929	2.0
79.05481	7.6
81.03416	12.4
85.02898	31.5
86.09685	6.2
87.04472	2.7
91.05453	4.6
95.04961	22.7
97.02878	14.4
97.06489	1.9
99.04432	2.6
103.05456	2.0
104.62003	1.8
105.03351	3.0
105.04537	1.8
107.04946	5.4
109.02865	6.9
109.06519	2.2
111.04346	1.8
112.66412	2.1
119.04929	7.1
121.02859	30.0
121.06495	3.9
123.04425	12.5
124.99957	3.2
127.03873	5.6
131.04904	4.7
133.02821	4.2
135.04417	3.3
137.05968	4.5
139.03879	6.7
140.84087	1.7
145.02818	3.1
147.04347	2.2
149.02324	2.4
149.06023	2.5
151.03868	10.8
159.04387	3.2
163.03870	3.6
165.05467	100.0
167.03412	4.2
167.07021	1.7
173.02412	3.7
175.03882	2.1
175.61237	1.6
177.05482	4.0
183.06505	3.9
184.07323	22.0
187.03865	2.9
189.01729	2.7
189.05316	2.0
191.03406	8.6
193.04898	1.9
199.03838	2.0
201.01793	3.6
203.03464	7.6
207.02815	3.5
209.04378	2.7
210.86578	1.6
213.05461	2.0
215.06992	2.5
217.04935	5.0
225.05411	1.6
227.03401	4.0
229.05096	2.4
231.02962	2.7
235.02292	7.9
241.05046	2.5
245.04422	3.7
253.04903	2.0
255.02798	4.0
255.06590	2.2
257.04532	1.5
263.07028	2.0
265.04926	2.0
267.06470	3.2
269.04413	3.9
271.05914	1.8
277.04980	2.1
279.06430	5.4
281.08035	2.5
283.05914	9.0
284.06705	3.1
286.04681	3.7
287.05545	3.3
292.07343	2.2
293.08044	6.4
294.05164	3.8
295.06024	30.1
296.06784	5.2
297.07495	3.9
301.07004	9.4
305.04523	2.5
305.07813	3.9
307.06082	23.4
307.09534	4.0
308.06763	4.4
309.07535	72.2
310.08206	2.5
317.08038	5.1
319.05984	6.6
320.06580	7.8
321.03867	4.6
321.07535	36.7
321.11359	3.6
322.08032	2.5
323.05493	1.9
325.07074	12.0
329.07990	3.7
333.07501	6.3
334.08389	2.9
335.05402	41.5
335.09140	19.8
337.07101	4.0
339.04828	3.2
339.08649	46.0
343.09793	2.0
345.07523	27.4
345.11404	1.1
346.08017	2.6
347.05209	2.1
347.09027	7.4
348.06232	2.1
349.06937	33.0
349.10757	10.8
351.08624	2.8
358.08536	2.1
359.09140	6.9
361.06979	8.2
361.10834	3.1
362.07492	2.4
363.04468	2.9
363.08600	30.4
371.09009	5.1
372.05969	2.2
373.06976	15.1
374.07880	2.2
375.08441	14.2
377.10245	2.6
379.08316	3.4
385.10815	1.8
386.07788	2.4
387.08636	17.5
389.05923	3.1
390.07224	2.0
391.07736	9.7
393.09875	9.2
395.09283	3.0
399.08710	2.8
401.05975	2.8
403.08066	8.0
405.09668	24.7
413.10291	2.6
415.08005	5.8
419.11221	5.7
423.10828	16.8
429.09738	1.8
433.09277	7.9
439.11932	2.3
441.11844	38.5
443.06979	2.2
444.08322	2.2
447.10605	2.8
451.10220	2.5
453.09555	2.0
459.10938	10.7
471.10690	5.1
473.12152	5.4
475.09882	3.4
485.08478	3.5
489.11771	14.1
491.13397	44.7
495.10431	2.0
503.13684	18.5
513.11621	8.8
521.15125	24.7
525.11462	2.5
527.13116	8.4
537.11786	3.3
543.12970	8.0
545.14435	31.0
553.13165	6.1
555.12738	9.9
557.14038	6.6
569.14362	8.6
573.13763	10.2
575.15411	21.2
587.15552	28.0
591.15149	12.9
605.16541	32.0
623.17542	34.5
653.18695	18.5
683.19653	14.1
707.19824	18.3
719.19360	2.6
731.18671	1.9
737.20410	6.7
749.19849	5.2
767.21320	15.7
785.22070	4.4
803.29584	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	794.5322
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05015	0.6
58.06595	0.6
60.08158	6.6
65.09528	0.2
67.05493	0.6
70.12334	0.8
70.12735	0.5
71.07370	3.4
71.08605	0.6
81.07025	0.4
86.09700	31.5
87.04436	0.3
89.83033	0.3
93.07059	0.3
95.08591	0.4
98.98466	3.5
103.74426	0.3
104.10717	2.4
107.08621	0.3
124.99992	22.4
128.03258	0.3
133.51428	0.3
143.01077	0.4
162.95512	0.4
184.07326	100.0
185.07689	0.9
297.02850	0.3
435.80054	0.3
511.04620	0.3
564.23199	0.3
735.42847	0.3
794.53009	3.1
796.30121	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	798.5636
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05011	1.2
58.06609	0.8
60.08161	9.2
60.33726	0.5
69.19847	5.0
70.06564	0.5
71.07056	0.4
71.07377	6.0
81.07037	0.7
85.70192	0.4
86.09703	49.2
87.10047	0.5
98.98463	6.9
99.50751	0.4
104.10725	2.9
111.00063	0.5
124.99999	33.9
143.01015	0.6
166.02690	0.7
175.94757	0.5
181.19363	0.4
181.61259	0.4
184.07333	100.0
185.07652	1.2
249.11328	0.5
280.54794	0.4
289.97226	0.4
363.03558	0.4
381.71848	0.4
419.92593	0.4
449.16891	0.5
537.24457	0.4
598.96472	0.5
780.55145	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	800.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16571	1.1
57.03423	1.9
62.50866	1.2
63.02384	1.5
65.03921	5.0
67.05493	4.1
69.03429	13.9
69.75378	7.5
70.06537	1.2
71.01338	2.9
71.04987	3.0
73.02934	2.2
77.03921	2.5
79.05486	9.3
81.03411	16.3
81.07061	3.0
83.04986	1.6
85.02894	10.8
91.05464	11.2
93.07035	3.5
94.04264	1.2
95.01325	13.5
95.04960	33.1
95.05558	1.8
97.02893	20.9
98.20827	1.9
99.04431	4.9
103.03956	2.0
103.05458	8.4
105.03389	4.0
105.04569	1.3
105.07030	8.7
107.01308	1.5
107.04951	15.1
107.08639	1.2
109.02877	24.0
109.06506	3.5
112.87282	1.3
113.02361	12.7
115.05438	10.6
117.07008	12.4
119.01297	2.5
119.04922	3.9
119.08518	1.7
121.02856	35.7
121.06503	9.0
123.04394	12.3
127.03914	23.0
128.06198	2.2
129.07011	5.8
131.03426	6.4
131.04897	14.5
131.08525	1.5
133.02837	7.2
133.06465	7.5
135.04402	10.3
137.05959	5.3
137.09598	2.0
139.03864	5.9
143.04938	5.7
144.05667	1.8
145.02789	3.0
145.04967	4.3
145.06479	12.8
147.00847	1.5
147.04404	11.8
149.02333	37.6
149.05977	23.0
151.03891	66.2
153.05438	10.5
155.04849	3.2
155.06015	2.4
157.06548	1.3
159.04443	13.2
161.06000	7.6
163.03976	1.9
163.07501	3.7
165.01834	79.6
165.05464	100.0
166.05743	1.2
167.03397	34.4
167.07047	5.4
171.04388	12.6
173.04544	1.7
173.05914	14.0
174.66838	1.2
175.03912	10.4
177.05455	13.6
179.03391	18.7
181.04968	4.8
183.02888	17.7
183.04340	2.1
184.07416	1.7
187.07552	1.5
189.05441	27.7
189.07079	1.9
191.03413	1.8
191.07033	17.4
193.04979	5.3
193.08560	1.4
197.04428	20.5
199.03906	16.9
201.05479	18.3
203.03407	1.2
205.04877	2.1
207.06487	3.6
209.08035	2.9
211.05984	1.4
215.07126	1.4
217.04947	24.2
218.05247	1.9
219.06502	22.1
225.03821	2.1
227.03416	4.1
231.06483	2.2
233.08115	2.8
235.05983	35.3
237.07559	4.6
239.05496	1.3
245.04456	20.3
249.07552	3.8
251.09018	2.0
253.07124	2.6
255.10095	1.7
257.06616	3.1
259.05936	6.8
263.05505	42.8
267.08585	1.7
275.07629	1.7
277.07065	16.9
281.06458	10.5
293.06381	1.9
295.08099	28.2
299.07614	3.5
309.06140	1.7
313.09262	2.5
323.07767	1.5
327.06873	2.1
343.07733	1.5
345.09625	1.8
361.08939	2.1
363.10709	3.1
371.07596	4.3
379.10269	4.1
381.11975	2.2
389.08722	10.4
403.10294	1.6
407.09720	20.9
421.11292	7.5
425.10825	9.1
439.12518	7.9
457.13074	2.0
485.13611	1.2
533.12885	1.7
551.13812	3.5
569.14539	2.9
587.15674	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	0.5
63.98348	0.5
65.03940	2.7
67.05486	1.7
69.03411	1.2
69.80782	3.2
75.04465	2.2
77.03928	0.6
78.04704	1.4
78.39442	0.5
79.05477	3.1
81.03419	2.8
81.07029	0.9
85.02891	4.8
89.03859	0.7
89.06011	0.9
91.05478	6.9
93.03404	6.5
93.07050	3.4
95.04963	5.3
97.02892	1.5
97.06506	1.8
99.04431	0.7
103.05460	13.9
105.03366	1.2
105.04469	0.6
105.07031	4.4
106.04163	11.7
107.04953	7.4
108.02061	0.6
109.02866	1.3
109.06523	1.4
110.03692	0.7
111.04445	1.9
115.03890	0.6
115.05437	2.2
117.06988	2.4
118.04120	3.0
119.04926	2.9
121.05676	1.0
121.06502	15.1
122.03656	2.8
122.06826	0.5
123.04436	2.5
123.08054	0.6
124.05206	1.0
125.05986	5.2
127.03909	0.9
129.06973	1.3
130.04137	0.7
131.04921	23.2
132.05696	0.9
133.02829	1.7
133.06517	4.3
134.03612	2.1
135.04379	1.8
135.08049	1.7
137.05966	40.7
137.09579	0.9
138.06357	0.6
139.07521	1.7
141.05446	1.2
142.02504	0.6
143.04935	1.3
145.02852	1.1
145.05086	0.6
145.06456	3.9
146.03609	0.9
147.04372	2.8
147.08067	1.0
148.05186	7.1
149.05974	24.3
151.03899	44.9
151.04990	2.9
151.07474	2.8
153.05463	2.8
153.09094	5.4
155.07028	0.6
157.06458	1.4
159.04401	1.0
159.08035	0.6
160.05174	1.2
161.05991	5.0
163.03926	3.1
163.07530	18.3
165.05473	4.0
166.06186	0.8
167.07028	17.7
167.08452	1.3
168.07420	0.8
171.04341	1.0
171.06561	1.2
173.05992	4.0
174.06703	0.8
175.07526	4.3
176.04623	2.0
177.05450	18.5
177.09029	1.2
178.06068	0.5
179.07019	2.1
181.04948	23.3
181.08553	14.7
182.05260	0.9
187.07495	2.8
189.05444	1.2
189.09146	1.5
190.06206	1.1
191.07018	67.0
192.07516	2.1
193.04889	1.3
193.08659	2.8
195.06479	3.1
197.07973	0.5
201.05417	0.9
203.06960	3.4
205.06613	0.9
205.08563	6.1
207.06445	1.1
207.08229	0.7
207.10121	1.0
209.08076	100.0
210.08421	2.6
217.08560	2.3
219.06421	0.7
219.08295	0.7
219.10129	1.9
221.08029	1.0
227.09120	1.1
231.06339	0.6
233.08014	3.2
235.07550	1.1
235.09663	3.5
237.09076	1.3
241.08556	0.8
245.08055	0.8
249.09059	1.5
263.06619	1.1
263.09155	13.6
265.08456	1.2
265.10883	0.7
267.10129	1.6
277.08664	1.2
279.10107	0.6
287.05334	1.0
295.09647	1.7
297.11295	0.9
307.09512	1.4
309.11084	0.7
323.08984	0.7
325.10580	1.5
327.12143	1.5
329.14005	1.0
337.10654	1.9
339.12234	1.4
341.13824	1.0
351.12082	0.8
355.11697	4.4
355.15604	0.7
357.13342	2.3
359.15024	1.1
369.13287	3.1
371.14838	0.8
383.14893	0.6
385.12827	2.9
387.14346	24.1
388.14526	1.4
399.14227	1.2
401.15747	0.7
417.15372	7.8
418.16013	0.6
567.21552	0.7
572.40131	0.6
579.21600	2.0
727.80225	0.5
794.29163	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.7
55.05495	2.9
65.03938	9.5
67.05488	3.1
69.19781	9.5
70.06601	1.0
73.55283	0.8
77.03925	0.9
79.05473	3.0
81.03410	1.5
82.04189	1.6
83.04983	0.8
83.08606	1.4
85.02914	1.1
91.05472	5.3
92.05728	0.8
93.03418	4.7
93.07059	1.0
94.67898	0.8
95.01313	2.0
95.04971	5.1
97.06516	1.2
100.11246	7.4
103.05463	4.4
105.07012	2.8
106.04156	1.5
107.04945	9.2
109.02885	0.9
110.03664	10.0
111.04433	13.0
115.05453	2.3
117.06996	2.0
119.04908	2.1
121.02849	1.8
121.06493	3.4
123.04423	2.9
125.05991	13.7
126.65825	0.8
128.06169	1.1
129.06956	1.8
131.04897	2.7
131.82230	0.8
133.02786	1.5
133.06480	2.5
135.04399	2.0
136.05190	1.2
137.02295	1.1
137.05981	9.8
138.03140	1.4
143.04915	1.9
144.05728	1.0
145.06488	1.8
147.04398	2.0
147.06885	0.9
148.05191	1.6
149.05951	3.6
151.03874	4.3
151.07532	3.7
153.05469	45.8
157.06421	1.2
158.07222	0.9
159.08025	1.0
161.05956	3.1
163.03876	4.8
163.07520	2.4
165.05457	3.4
165.06854	1.0
167.07039	22.3
169.06476	3.0
173.05893	1.6
175.07513	3.5
177.05458	3.4
178.07713	1.3
179.07022	3.2
181.04926	6.9
181.06474	2.3
181.08601	1.5
182.15408	2.9
183.08093	1.5
187.07558	3.8
188.08328	1.0
189.09016	1.3
191.06978	5.3
191.08572	1.9
195.06488	1.8
195.08046	1.0
196.08644	0.9
197.06047	4.2
197.07870	1.1
198.06898	1.0
199.07497	2.0
201.09114	3.3
202.07790	1.5
203.08577	1.4
207.08051	1.2
209.06105	1.9
209.08058	7.8
209.16486	1.7
210.06778	1.3
210.14891	2.9
211.07555	3.1
212.08311	2.1
214.06235	1.4
217.08473	1.1
218.07272	1.0
219.07976	2.4
220.08830	2.0
221.05951	1.5
221.09604	2.7
222.06700	1.4
223.07587	2.1
225.05412	2.8
227.06999	1.9
231.08090	1.9
231.10165	6.1
234.06667	1.7
235.07529	2.3
236.08226	0.9
237.09161	1.5
239.06981	3.8
240.07808	21.4
241.08417	3.1
242.09418	1.0
247.07512	1.6
248.08269	1.5
249.09007	2.4
251.07011	2.5
251.10776	1.5
252.07910	1.6
253.08434	1.7
253.12257	2.6
255.06348	1.3
255.10316	1.1
256.07364	0.9
257.08072	5.7
263.10571	1.2
264.07861	2.5
265.08649	3.6
266.09283	4.9
267.10132	2.4
268.07330	1.5
271.05853	1.0
272.10483	5.4
277.08591	1.6
278.09238	2.5
279.10205	4.2
280.10883	1.8
281.08331	1.4
281.11655	6.8
282.08865	2.4
283.09515	1.3
284.10431	1.3
285.07507	3.0
287.05527	2.1
293.11795	1.2
294.08838	1.0
295.09656	2.5
298.12045	1.1
300.09955	6.3
302.11203	1.2
307.09610	2.0
309.11188	28.5
309.14740	1.6
310.11862	2.5
311.12653	2.5
313.14386	2.1
321.11203	2.1
323.12589	1.3
325.14444	1.9
326.11386	1.5
327.12228	1.0
337.10608	3.7
337.14194	1.0
338.11023	1.1
339.12308	12.8
340.12894	1.1
341.13840	100.0
342.14063	3.8
351.12122	2.3
353.13794	8.3
357.13449	1.1
369.13373	1.4
371.14899	3.7
416.14355	1.1
417.14578	2.3
418.15054	1.6
429.19019	3.9
447.35211	0.9
453.34802	1.1
499.17227	1.2
520.19379	0.9
549.21112	6.4
679.51367	1.6
680.50983	1.1
793.08710	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.561
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	0.7
55.05277	1.0
55.05513	12.0
57.03432	9.5
57.07063	2.3
59.01485	0.6
60.27359	0.6
61.02913	2.0
65.03916	2.4
67.05505	50.2
69.03413	1.4
69.06732	1.0
69.07070	12.7
69.32364	3.3
69.32790	2.4
71.04963	1.8
76.58635	0.6
78.69647	0.6
79.05495	28.3
80.21690	0.6
81.03384	0.7
81.07054	49.7
83.04969	1.6
83.08623	6.0
85.02899	1.7
85.06532	1.8
89.79332	0.5
91.03928	0.9
91.05478	16.9
93.07043	37.9
95.04958	2.8
95.08606	38.2
97.02885	1.5
97.06522	1.9
97.10165	3.6
99.08073	1.4
103.68956	0.6
105.07033	17.3
107.07887	1.3
107.08592	23.1
109.06509	1.4
109.10151	18.8
111.08047	0.8
117.07006	5.4
117.62048	0.7
119.08578	13.1
121.10137	17.7
123.08044	0.9
123.11704	8.2
125.09650	0.9
129.06969	0.9
131.08572	9.9
131.74561	0.6
133.10127	11.5
135.11691	13.0
137.13255	3.3
139.11180	0.8
143.08574	1.5
145.10126	9.3
147.11694	8.7
149.13248	8.6
151.11179	0.8
151.14725	1.3
157.10120	1.5
159.11690	7.3
161.13252	6.3
163.14845	5.0
165.12807	0.7
171.11662	1.5
173.13268	6.6
175.14818	4.2
177.16406	1.8
184.07416	1.4
185.13240	1.1
187.14780	4.2
189.16391	1.1
199.14891	1.4
201.16440	1.3
213.16473	1.2
222.11237	0.6
231.21098	1.3
231.81070	0.7
233.22765	0.8
234.23753	0.7
241.19702	3.3
243.21054	5.7
245.22632	0.9
257.19016	1.0
259.20590	9.2
261.22134	18.8
263.23734	1.3
299.23752	1.1
317.24783	4.1
327.26862	0.7
333.24200	5.3
335.25793	100.0
336.26233	4.0
337.27353	8.6
499.38553	0.8
503.42532	0.8
521.43372	2.2
539.44476	0.8
543.39819	0.7
595.47156	13.9
596.47589	1.3
611.05493	0.8
613.48169	9.8
697.38086	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.9
65.03938	9.2
67.05508	2.1
71.36227	1.7
76.40993	0.8
78.04724	1.2
79.05490	2.3
81.07047	1.5
82.04195	2.0
85.02895	0.9
91.05479	7.0
93.03410	3.6
93.07018	1.7
95.01315	1.0
95.04947	4.2
97.06547	1.0
103.05450	3.3
105.03339	1.0
105.07040	2.1
106.04189	2.0
107.04947	7.9
109.06572	0.9
110.03660	7.3
111.04436	12.6
115.05457	1.7
117.03371	0.9
117.06985	1.3
118.04207	0.8
119.04945	3.2
120.59456	0.8
121.02863	3.1
121.06506	2.3
122.03625	1.2
123.04420	2.9
124.05152	1.0
125.06000	13.4
128.06161	1.1
129.07042	2.0
131.04941	4.6
133.02843	1.1
133.06531	0.9
135.04419	1.9
137.05981	11.4
138.03104	1.1
141.06995	1.2
143.04926	1.0
144.05669	1.5
145.06445	2.5
147.04416	1.6
148.05206	2.4
149.05957	4.2
151.03923	5.0
151.07524	4.5
153.05472	42.7
157.06491	1.1
159.08093	2.8
161.05988	3.5
163.03897	4.5
163.07506	3.0
165.05487	2.1
165.07005	1.5
167.07059	16.6
169.06516	2.8
172.03632	0.8
173.05945	1.5
175.07539	2.6
177.05469	3.7
177.09100	1.5
179.07031	2.9
179.08514	1.1
181.04967	6.0
181.06422	1.7
181.08554	2.0
183.08095	1.4
187.07561	2.4
189.09062	1.6
191.07043	10.3
191.08595	1.9
193.08656	1.1
194.07281	0.9
195.06491	1.3
195.08110	1.9
197.06003	5.8
197.07881	1.5
199.07552	1.4
201.09114	3.0
205.06621	0.9
205.08563	1.6
206.07225	0.9
207.06415	1.7
207.08113	1.4
209.06216	1.6
209.07983	5.9
210.06793	1.2
211.07623	3.9
212.04614	0.9
212.08276	2.3
214.06207	1.6
217.08603	0.9
218.07179	1.2
219.08057	2.3
221.06012	1.5
221.07932	1.8
221.09795	1.4
223.07596	2.7
225.05493	3.2
225.09218	1.2
227.07054	2.0
229.08478	1.0
231.10124	5.0
233.09605	1.0
234.06717	1.4
235.07544	1.8
236.08241	1.1
237.09105	2.2
239.07021	3.0
240.07799	17.8
241.08476	1.8
248.08469	1.2
249.09103	2.4
250.06299	1.0
250.09731	0.9
251.07031	2.0
251.10683	1.3
253.08432	1.6
253.12254	1.9
255.06609	0.9
257.08167	5.5
263.06955	1.7
263.10611	1.1
264.07813	2.0
265.08609	2.6
266.09384	6.3
267.06543	1.1
267.10214	2.4
268.07343	1.9
268.10803	0.8
269.08066	0.9
270.08905	1.2
272.10541	4.5
277.08636	1.4
278.09396	1.5
279.10147	3.3
280.10944	1.3
281.08621	1.2
281.11685	5.5
282.08875	3.1
285.07501	2.0
287.05457	1.5
291.10028	1.3
293.11728	1.2
295.09552	3.6
300.09985	5.9
301.07211	1.0
307.09729	1.1
308.10291	1.3
309.11191	25.5
310.11765	2.4
311.12729	3.3
313.14310	2.3
314.11472	1.0
321.11316	2.7
324.13470	1.0
325.14536	1.2
326.11456	1.8
333.11227	1.0
337.10571	1.7
338.11224	1.1
339.12320	11.4
340.12762	0.9
341.13837	100.0
342.14218	3.6
351.12122	1.7
353.13818	9.3
355.11780	1.9
357.13443	1.0
369.13309	1.2
370.14154	1.7
371.14749	2.7
418.15793	1.3
461.15909	1.3
462.16031	2.1
463.16394	2.3
480.17239	1.0
481.17624	1.2
498.17966	1.5
499.18350	2.0
517.18384	1.4
549.21179	7.2
793.29279	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	792.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.4
57.03443	2.0
57.06290	0.8
61.02928	2.7
65.03942	1.2
67.05512	1.5
68.05025	1.1
69.03426	13.4
70.56943	2.4
71.01347	3.5
71.04981	1.5
71.97159	0.9
73.02924	1.2
79.01870	1.4
79.05488	6.7
80.05023	3.0
81.03418	7.1
81.07053	2.3
83.01366	1.9
83.04978	3.8
85.02907	17.9
85.78857	0.8
86.14806	0.8
87.04478	2.3
91.03973	1.4
91.05492	7.9
93.07063	4.2
93.07586	0.7
94.04194	0.9
94.06573	6.4
95.04966	22.5
96.04523	0.8
96.08166	1.7
97.02887	11.1
99.04463	1.5
103.03922	1.6
103.05463	17.1
105.07062	1.7
106.06553	18.1
107.04951	6.4
109.02904	3.8
109.06556	2.1
110.06056	1.4
111.04473	4.2
118.06557	1.3
119.04942	6.2
120.08121	2.4
121.06503	8.7
122.06039	1.3
123.00800	1.1
123.04430	8.7
124.03974	1.8
124.07571	7.0
125.02376	1.5
127.03940	3.3
130.06551	3.2
131.04930	11.4
132.04488	2.1
133.02879	1.9
133.06503	1.6
135.04431	2.8
137.06033	3.9
139.03905	36.0
145.02896	1.9
145.04999	1.8
146.06049	1.6
147.04402	11.0
148.07556	8.9
149.02353	1.3
149.05971	11.3
150.09177	1.1
151.03868	7.8
158.06015	1.6
159.04424	21.0
161.05991	1.8
163.03912	0.9
163.07494	1.0
164.07109	0.9
165.05473	100.0
166.05873	1.3
166.08696	1.8
167.07053	2.0
173.05894	0.8
174.05560	1.9
175.03947	7.6
176.07069	20.7
177.05473	15.3
178.08652	1.0
179.07047	8.2
180.10283	0.9
181.05109	1.8
183.06674	1.1
189.05464	16.4
189.07085	1.2
190.08669	0.9
191.07025	53.8
193.04892	4.3
194.08119	11.8
194.09714	1.1
195.06610	1.9
197.08133	1.8
200.07201	1.1
206.08224	1.2
207.06537	6.6
208.09683	34.1
209.08107	5.3
211.06119	1.2
212.09250	2.7
213.85896	1.0
226.10736	28.9
227.09280	1.2
236.09193	1.4
244.11818	10.5
278.10129	1.1
296.11227	2.1
318.13516	1.3
338.12317	1.0
370.14944	1.2
388.16223	3.3
400.13757	1.1
405.12033	1.0
406.17072	2.4
418.14716	5.6
432.16702	2.5
436.16226	3.5
450.17612	57.1
451.18234	1.3
468.18680	17.9
498.19846	1.8
580.20734	3.2
594.21997	1.9
598.21802	2.9
612.22919	31.6
613.23303	1.4
630.23962	34.9
631.24005	1.4
660.25293	1.1
724.05542	0.9
760.27124	1.4
792.29230	41.5
793.29492	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.29
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.4
62.45957	0.7
65.03936	5.2
67.05482	2.1
69.03419	2.0
69.07049	0.7
69.86539	1.9
69.86943	1.3
70.06580	0.8
77.03887	1.0
78.04696	2.0
79.05495	4.7
81.03394	1.8
82.04189	1.4
85.02902	3.4
86.09673	0.7
91.05478	15.3
92.06242	2.1
93.03394	1.3
93.07085	0.6
95.04988	3.5
97.02883	0.7
97.06516	1.3
98.80696	0.5
103.05463	3.3
105.03416	0.6
105.07014	1.7
106.04158	0.8
107.04212	0.8
107.04952	16.5
107.49885	0.7
110.03652	2.7
111.04424	2.4
115.05439	6.4
116.06213	0.6
116.85683	0.6
117.07007	7.2
118.04160	0.8
119.04948	6.4
119.08530	0.6
120.05767	4.2
121.06479	2.7
122.03635	1.1
123.04422	5.2
124.05167	2.4
125.05964	2.5
127.05383	1.2
127.44443	0.6
129.07011	1.6
131.04927	5.2
133.02806	1.3
133.06479	4.1
135.04416	4.6
137.05971	13.1
138.03067	1.5
139.03917	0.8
141.06978	0.8
142.02597	2.5
143.04936	1.6
144.05666	1.1
145.02766	0.6
145.06467	11.1
147.04401	6.6
147.08026	1.4
148.05196	6.8
149.05974	1.2
151.03880	3.6
151.07520	1.6
152.04712	1.2
153.05484	2.9
154.06172	0.9
155.06030	3.5
157.06470	1.3
158.07275	2.0
159.04451	0.7
160.05122	0.7
161.05977	5.4
163.03903	2.7
163.07466	1.2
165.04182	1.3
165.05478	18.1
167.07034	66.5
168.07495	2.4
171.06505	5.4
173.05981	16.7
174.06485	0.9
175.07536	3.8
177.05424	2.5
179.07025	1.3
180.07718	0.8
181.04945	100.0
182.05318	2.2
185.06030	1.1
186.06677	1.2
187.07567	1.0
189.05489	2.7
191.07054	3.4
193.05070	0.7
193.08577	0.9
195.06487	0.8
201.05452	3.1
203.07094	2.0
205.04959	2.2
205.08575	7.8
207.06477	0.9
208.07277	1.7
209.07982	1.0
213.05467	1.5
214.06335	0.9
217.08568	1.2
219.06445	1.7
219.10098	1.1
220.07285	8.6
221.08020	3.3
226.08257	0.9
231.06577	1.3
233.07965	3.8
234.08871	3.0
235.07495	1.1
235.09616	8.2
239.06892	0.7
243.11356	1.7
247.07365	0.8
265.08615	1.3
271.06107	0.8
275.07092	0.7
285.12390	2.6
291.10159	1.6
303.13507	2.2
307.09628	1.1
311.05334	0.7
317.10233	1.2
323.05542	5.8
324.06006	0.7
325.10452	1.0
327.12134	0.9
355.11609	3.5
357.13449	2.2
367.11630	0.8
373.12839	0.9
385.12808	22.9
386.13513	1.7
387.14212	2.7
397.12906	1.3
398.13651	9.2
401.12332	2.5
415.13919	7.1
416.14636	93.1
417.15277	11.0
430.12485	4.5
435.14355	2.6
444.75775	0.8
479.17343	0.8
497.17993	2.6
583.21722	1.5
595.22223	1.3
612.22076	3.2
613.22784	36.1
614.22968	2.3
659.22949	0.8
791.28607	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.5587
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05038	1.1
58.06635	0.5
59.07404	0.2
60.08164	11.5
65.33715	0.1
67.05502	0.3
69.38197	0.3
69.38604	0.9
70.06589	0.3
71.07372	6.4
71.08652	0.2
80.05511	0.1
80.97442	0.2
81.07070	0.2
86.09705	53.6
87.10027	0.6
93.07034	0.2
94.01546	0.1
95.05043	0.1
95.08577	0.1
98.98465	5.4
104.10742	4.3
125.00002	36.9
126.00343	0.2
128.94830	0.2
143.01073	0.6
166.02681	0.3
184.07339	100.0
185.07721	1.2
203.21991	0.1
255.06963	0.2
667.69788	0.1
762.13837	0.1
790.55530	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.5582
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.2
55.67659	0.1
56.05036	0.9
58.06367	0.2
58.06627	0.4
59.07390	0.2
60.08162	6.0
65.21909	0.1
67.05493	0.3
68.75854	0.1
71.03293	0.3
71.07370	3.7
79.05491	0.2
81.04292	0.1
81.07058	0.1
86.09705	31.0
87.10055	0.8
91.05473	0.1
98.98464	3.1
104.10735	2.7
105.11093	0.1
125.00000	21.3
126.00311	0.3
143.01071	0.3
166.02704	0.1
184.07335	100.0
185.07695	2.8
186.07817	0.8
293.60901	0.2
690.47528	0.9
691.44623	0.2
725.08374	0.2
772.54865	1.3
790.55853	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	790.5579
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.2
56.05032	0.7
57.07082	0.1
58.06630	0.4
58.95227	0.1
59.07389	0.2
60.08162	6.8
65.14428	0.1
66.95152	0.1
67.05494	0.1
70.06586	0.1
70.99655	0.2
70.99995	0.1
71.07373	3.7
79.05489	0.1
81.07061	0.1
84.81194	0.1
86.09704	31.7
87.10035	0.5
95.08605	0.2
97.10155	0.1
98.21284	0.1
98.98464	3.1
104.10736	2.7
105.11063	0.1
116.99498	0.1
125.00002	20.4
126.00342	0.2
127.00341	0.1
136.77347	0.1
143.01064	0.3
166.02664	0.2
166.62886	0.1
184.07336	100.0
185.07680	2.3
186.07784	0.7
193.06088	0.1
264.02658	0.1
478.32077	0.1
496.34308	0.2
648.42291	0.2
772.54797	5.8
773.55096	0.6
790.55817	4.1
791.55945	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.5431
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05033	1.0
58.06625	0.4
60.08165	5.8
60.37617	0.1
67.05514	0.3
69.07078	0.2
69.35071	0.4
69.35486	0.9
70.06584	0.3
71.07374	3.3
81.07047	0.4
86.09705	30.3
87.10054	0.2
91.05476	0.2
95.08608	0.2
98.20774	0.3
98.98458	3.5
104.10738	3.0
125.00002	20.6
143.01057	0.6
164.51543	0.1
166.02573	0.2
184.07336	100.0
185.07732	0.7
198.35088	0.2
416.68097	0.2
496.33560	0.3
562.37500	0.3
770.40594	0.2
770.53241	3.2
771.53210	0.2
788.39673	0.2
788.54327	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	790.4577
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	12.5
55.05273	3.3
55.05510	38.2
57.03439	34.3
57.07067	4.3
59.04989	4.4
61.02911	5.8
65.03922	3.9
67.05505	93.2
69.03427	18.2
69.07069	57.2
69.41222	19.6
71.04991	26.0
73.02908	5.0
73.88157	2.6
77.03888	2.2
79.05492	82.6
81.02933	3.6
81.03416	75.0
81.07049	90.7
81.39392	2.4
83.04982	28.7
83.08622	28.4
85.02904	34.1
85.06540	7.9
86.09688	8.7
91.04911	4.5
91.05480	88.9
93.07042	74.5
95.04970	39.4
95.08604	38.8
97.02887	13.9
97.06529	100.0
97.10154	9.1
99.04453	4.4
99.08087	7.0
103.05440	5.6
105.04507	4.8
105.07030	65.4
107.04964	21.5
107.08588	40.4
109.02888	3.4
109.06511	29.2
109.10152	23.0
111.04437	6.4
111.08077	19.4
113.05993	5.8
113.09603	2.5
115.05451	4.7
115.07564	25.6
117.07026	23.9
119.08586	46.6
121.06494	10.9
121.10145	23.9
123.08080	12.5
123.11733	4.8
124.99969	5.9
125.09623	5.9
127.03900	6.7
127.07520	5.0
128.06232	2.6
129.06995	23.2
131.08563	36.1
133.06458	5.7
133.10135	33.5
135.08034	12.0
135.11678	17.9
137.05855	2.8
137.09601	6.6
141.06979	6.3
142.07782	6.2
143.08569	7.4
145.06490	8.2
145.10114	23.5
147.08063	13.0
147.11696	19.9
149.05899	3.0
149.09624	10.5
149.13255	13.4
151.11176	4.3
155.08548	4.5
157.10127	17.9
159.08098	4.1
159.11676	14.0
161.05957	3.2
161.09590	6.1
163.03882	4.4
163.07658	2.3
163.11205	10.4
165.05559	3.0
165.12788	6.1
167.07039	5.3
169.10129	4.1
171.11700	4.7
173.04453	7.1
173.09627	3.9
173.13251	2.5
175.11214	17.7
177.12708	5.1
181.04965	5.0
181.12257	3.4
184.07326	29.5
185.09634	4.0
185.13208	3.9
191.10730	2.8
193.12236	49.3
195.11853	2.6
195.13715	5.7
199.14854	2.7
201.54366	2.7
211.11404	2.2
211.13263	65.2
217.15866	12.6
227.12735	6.5
227.17966	3.6
229.14272	10.5
233.15413	4.8
245.19011	4.0
253.14421	6.0
255.15717	3.0
257.18982	2.6
267.15909	22.9
269.17447	24.5
273.18475	34.6
275.20087	8.9
283.15457	24.6
285.16946	58.4
287.05438	11.0
288.05865	3.8
291.19547	23.1
307.18848	4.6
329.20905	2.6
347.22034	10.2
349.23724	5.1
365.23209	9.3
437.25320	16.7
459.27567	3.3
461.29266	12.6
461.53510	2.6
465.28192	3.4
477.28531	17.5
479.30048	29.2
497.28815	3.0
507.29404	3.2
517.31403	3.9
539.33588	4.4
542.65363	2.6
546.01654	2.4
557.34833	26.6
575.35736	16.4
593.36707	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	788.5425
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05025	0.7
58.06625	0.5
60.08162	7.4
67.05475	0.2
68.54880	0.1
69.28960	1.0
69.29366	0.3
71.07369	4.1
81.07078	0.2
86.09704	34.1
98.21535	0.3
98.98461	3.8
104.10735	3.4
111.03616	0.1
116.66576	0.1
124.99999	23.8
143.01044	0.4
166.02650	0.3
184.07336	100.0
185.07628	0.6
469.22379	0.2
496.33926	0.3
602.11542	0.2
645.05872	0.2
676.43958	0.2
690.46625	0.8
722.26489	0.1
770.52405	0.6
778.45715	0.1
788.41669	0.2
788.54370	2.5
789.54016	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.5424
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.1
56.05034	0.6
57.07059	0.2
58.06625	0.5
59.07379	0.1
59.77563	0.1
60.08162	5.6
69.07043	0.1
69.34880	0.2
69.35287	0.6
71.07370	3.5
81.07050	0.1
86.09703	28.2
87.10030	0.3
98.20798	0.2
98.98461	2.8
99.08146	0.1
104.10060	0.2
104.10735	2.6
116.99503	0.1
122.39477	0.1
124.99997	19.1
143.01053	0.4
166.02632	0.3
184.07335	100.0
185.07683	0.9
186.07730	0.1
263.12210	0.1
273.34653	0.1
532.30707	0.1
702.47058	1.1
754.54175	0.6
770.52979	0.3
788.54266	3.4
789.54822	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.5427
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05031	0.8
56.76814	0.2
57.07049	0.2
58.06639	0.6
60.08161	7.1
60.26030	0.2
67.05508	0.3
70.06582	0.2
71.07367	3.6
71.28848	0.3
79.05476	0.3
80.97437	0.2
81.07054	0.3
84.36358	0.2
86.09699	31.6
87.10046	0.3
91.05527	0.3
93.07017	0.2
98.98461	3.7
104.10726	3.2
116.99470	0.2
118.40090	0.2
124.99994	22.1
143.01109	0.3
166.02672	0.2
184.07326	100.0
185.07645	0.7
385.43127	0.2
562.37231	0.2
690.46985	0.3
770.53381	0.9
788.54272	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.5428
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05018	0.7
58.06599	0.6
60.07885	0.5
60.08162	5.8
61.85370	0.3
66.33620	0.3
67.05501	0.4
68.26774	0.3
71.07371	4.3
71.52831	0.6
81.07030	0.7
86.09705	32.2
95.08616	0.4
98.98456	3.4
103.22813	0.3
104.10735	2.9
118.98211	0.3
125.00000	20.8
143.01028	0.6
160.15010	0.3
184.07339	100.0
185.07668	0.5
195.48619	0.3
225.48659	0.4
503.84055	0.3
562.37799	0.5
746.61188	0.4
770.40704	0.4
770.53217	4.4
788.54535	5.2
789.54645	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.5273
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05040	0.7
57.07050	0.1
58.06621	0.5
59.07382	0.1
60.08163	6.4
67.05482	0.2
69.07042	0.1
70.06570	0.1
70.71255	0.3
71.07374	3.8
74.44927	0.1
81.07027	0.2
82.55901	0.1
86.09706	31.8
87.10027	0.3
88.50359	0.1
95.08591	0.1
98.98463	3.1
104.10744	2.9
116.99490	0.1
125.00002	19.8
128.09355	0.1
139.81610	0.1
143.00983	0.3
146.98515	0.1
166.02641	0.3
184.07339	100.0
185.07680	1.2
496.33762	0.3
603.46057	0.1
768.51532	0.3
786.52802	5.6
787.53107	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.5114
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05029	0.6
58.06622	0.6
60.08158	7.8
67.05507	0.4
67.54604	0.2
70.06583	0.3
71.07372	3.9
71.44205	0.4
80.12305	0.2
81.07075	0.2
86.09699	38.0
87.10023	0.6
94.78300	0.2
98.98462	3.4
103.16893	0.2
104.10742	2.9
119.31981	0.2
124.99992	21.3
143.01033	0.4
166.02628	0.4
184.07327	100.0
185.07672	1.8
186.07784	0.4
251.60979	0.2
255.25114	0.2
352.21872	0.2
427.62509	0.2
428.97989	0.2
478.47632	0.2
482.00943	0.3
784.51080	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	786.5278
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05042	0.9
60.08165	6.9
69.39900	3.9
71.07386	3.3
72.63313	0.4
77.65249	0.4
85.29345	0.4
86.09709	33.0
86.89985	0.4
98.98474	2.8
104.04215	0.4
104.10746	3.1
125.00008	22.2
143.01018	0.5
166.02730	0.7
184.07346	100.0
185.07675	0.9
202.62643	0.4
496.33774	0.6
538.62006	0.5
786.53015	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	778.5377
Annotation	PC(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z))
Peak:m/z	Relative Intensity
55.05502	0.1
56.05038	0.9
57.07024	0.1
58.06631	0.4
59.07380	0.2
60.08162	6.2
67.05513	0.2
70.06581	0.1
70.65048	0.3
70.65425	0.2
71.07371	3.4
79.05487	0.1
86.09704	32.2
87.09989	0.2
98.20811	0.1
98.98465	3.3
104.10737	2.4
125.00000	21.7
140.01059	0.1
143.01062	0.3
171.85214	0.1
184.07336	100.0
185.07634	0.6
238.85626	0.1
261.16168	0.1
307.87598	0.2
359.54974	0.2
437.78235	0.2
518.32458	0.2
538.50049	0.2
545.12244	0.2
692.66724	0.2
778.53650	1.7
809.43854	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	779.418
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	1.4
55.77519	0.6
56.05019	0.7
57.03407	2.2
58.06594	1.0
59.07376	1.1
60.08158	4.7
61.02928	3.5
64.61023	0.7
67.05502	4.4
69.03407	2.6
69.07042	2.5
71.04977	0.9
71.07334	2.0
71.51878	1.2
73.02887	2.5
79.05491	4.1
81.03416	4.0
81.07056	4.7
83.04947	1.4
83.08588	1.5
83.52835	0.6
85.02912	5.3
86.09703	29.9
87.10023	3.5
91.03934	1.5
91.05467	4.4
93.07030	4.4
95.04924	2.0
95.08570	2.5
97.02869	3.0
97.06510	1.4
98.98438	2.8
99.04411	1.1
101.02348	1.2
103.03937	0.8
104.10745	3.1
105.06993	2.8
107.04950	1.0
107.08571	2.0
114.44207	0.6
119.08544	3.0
119.09310	0.6
124.01345	0.6
125.00003	18.0
127.03901	1.6
129.06996	1.1
131.08548	2.0
133.10110	1.8
135.08101	0.8
135.11703	1.2
142.27831	0.6
147.11652	1.6
166.94542	0.8
175.11171	1.1
184.07335	100.0
185.07689	13.0
193.12209	1.2
243.08437	3.1
251.12605	1.4
333.20444	2.2
439.19632	0.9
469.20425	9.5
551.28137	3.3
690.97540	0.8
779.41815	93.7
780.42010	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	778.4494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.3
55.05510	0.2
56.05031	0.6
57.03434	0.2
58.06578	1.0
59.07364	0.6
60.08160	6.0
66.14243	0.1
67.05495	0.7
67.05783	0.1
69.03419	0.1
69.07061	0.4
69.55652	0.1
70.06594	0.1
71.01353	0.1
71.07365	3.0
79.05477	0.5
80.97436	0.1
81.03394	0.5
81.07053	0.6
83.04993	0.2
83.08608	0.3
85.02906	0.2
86.09701	28.3
87.10031	0.2
91.05462	0.6
93.07037	0.5
95.04973	0.2
95.08611	0.3
97.02887	0.2
97.06538	0.2
97.10136	0.1
98.97802	0.1
98.98456	2.8
104.10738	3.5
105.07024	0.3
107.04943	0.1
107.08576	0.2
109.06545	0.1
109.10169	0.2
116.99531	0.1
117.07007	0.2
119.08574	0.5
119.95424	0.1
121.06512	0.1
124.99994	18.0
125.09680	0.1
129.06961	0.2
131.08546	0.1
133.10135	0.1
135.07971	0.1
135.11688	0.1
143.01054	0.3
147.11678	0.1
157.10110	0.1
166.02635	0.2
173.09492	0.1
183.10043	0.1
184.07329	100.0
185.07722	1.0
193.12225	0.2
211.13191	0.2
222.08881	0.6
224.10425	0.2
238.08537	0.1
240.09984	0.1
282.11029	0.1
285.17001	0.1
327.37021	0.1
469.20212	0.2
522.24353	0.3
551.28247	0.1
622.33063	0.3
648.34875	0.6
662.36438	0.1
672.34650	0.2
678.35950	0.1
690.35803	0.1
743.43915	0.1
744.44336	0.4
760.44006	0.6
778.44824	2.0
779.41852	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.4782
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	5.7
55.05509	45.2
57.03440	20.7
57.07069	2.7
59.04983	3.4
61.02917	4.6
65.03927	3.4
67.05503	100.0
69.03426	2.7
69.07070	19.7
69.25403	1.5
69.25688	15.9
71.04980	5.9
73.02921	2.7
73.85421	1.9
79.05488	43.7
81.03426	7.6
81.07056	67.3
82.07413	1.8
83.04976	5.8
83.08611	17.2
85.02898	14.6
85.06525	3.2
86.09697	6.8
87.04477	7.1
91.05479	27.6
93.07040	45.5
95.04963	7.2
95.08601	39.7
97.02885	4.3
97.06531	5.7
97.10172	24.2
98.21548	3.2
98.69444	1.5
99.54996	1.5
103.03932	2.1
103.05457	1.4
105.07029	16.1
107.04965	2.4
107.08586	30.6
109.06525	2.7
109.10154	52.3
111.08076	3.6
117.07043	7.3
119.08581	16.0
121.10137	16.6
123.08046	2.2
123.11696	5.3
124.99995	4.1
125.09636	22.9
127.03848	1.8
127.46764	1.5
129.07007	2.5
131.08580	10.7
131.32802	1.6
133.10141	9.7
135.11700	13.6
137.09637	3.2
143.10638	3.4
145.10126	9.2
147.11723	8.6
149.09613	2.5
149.13245	5.5
153.12686	2.4
155.10597	1.8
159.11664	5.8
161.13257	4.1
163.11200	6.5
163.14803	2.6
171.11638	2.1
173.09642	2.1
173.11746	12.5
173.13263	4.9
175.14897	2.4
181.12152	2.0
183.11725	1.5
184.07336	27.1
187.14890	2.0
191.10625	2.4
192.45271	1.9
193.12303	2.6
199.13235	10.5
209.11702	3.5
211.13148	1.7
217.14320	2.1
227.12756	8.4
229.14337	48.1
243.21123	3.0
245.14072	3.3
261.22162	10.0
267.15939	3.0
272.01541	1.6
277.21600	2.7
301.16486	17.1
315.23141	1.9
335.25763	68.4
336.26172	3.5
459.34622	3.3
460.99347	1.8
477.35504	8.5
489.35724	11.3
543.36963	2.2
561.37836	5.8
647.12207	1.8
773.32776	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.4785
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	3.8
55.05506	43.0
57.03434	18.7
57.07067	2.4
59.05001	4.1
61.02927	4.1
65.03954	3.7
67.05501	100.0
68.47059	1.4
69.03432	3.2
69.07063	17.2
71.05007	3.0
71.52753	2.1
71.53144	1.9
73.02905	1.5
79.05488	43.8
81.03429	6.3
81.07051	64.8
83.04995	5.4
83.08610	18.1
85.02905	17.8
85.06538	2.5
86.09703	5.5
87.04475	5.1
91.04065	1.8
91.05469	25.7
91.06004	1.5
93.07039	47.0
95.04987	6.4
95.08603	42.9
97.02911	3.9
97.06532	4.1
97.10165	23.4
99.08125	1.6
103.03976	1.4
105.07026	16.4
107.08594	26.3
109.06532	1.8
109.10152	63.7
111.08100	3.5
117.07005	5.1
119.08570	14.2
121.10146	22.0
123.08141	1.6
123.11710	4.7
125.00001	3.2
125.09623	20.2
127.03983	1.8
129.07043	1.7
131.08548	10.6
133.10138	11.8
135.08028	2.0
135.11685	9.5
137.09651	3.6
137.13243	1.7
139.11235	1.7
143.10690	4.1
145.10120	8.3
147.11717	6.9
149.09576	1.7
149.13283	5.3
153.01793	1.4
153.39174	1.5
155.10706	3.5
157.10143	2.8
159.10379	2.0
159.11658	6.9
161.13304	3.4
163.11183	6.3
163.14867	3.8
169.56874	1.7
173.09650	1.9
173.11774	16.0
173.13306	3.6
175.14902	2.3
184.07332	13.3
187.14877	3.6
191.10696	1.6
193.12256	3.3
199.13287	11.0
209.11769	2.3
217.14441	2.7
227.12794	5.7
229.14325	45.8
243.21164	4.7
245.13866	2.1
261.22144	13.8
267.15979	4.8
283.15463	1.6
289.21573	1.7
301.16483	14.1
315.23141	1.7
317.24802	3.3
322.64792	1.5
327.23419	1.5
333.24463	2.1
335.25778	67.5
336.26251	2.6
383.11368	6.0
459.34369	2.1
477.35785	7.7
489.35715	15.3
543.36816	3.3
561.37775	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	776.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	7.3
59.13141	2.2
65.03928	3.6
67.05514	5.0
68.99338	2.0
69.03402	7.3
69.32520	23.0
70.06582	4.2
71.69077	2.0
79.05497	15.4
81.03401	5.9
83.01341	4.3
85.02882	8.9
86.09690	4.7
91.05479	15.8
93.07020	4.1
95.04963	18.3
97.02879	7.0
98.20736	4.3
103.03938	2.5
103.05472	8.2
105.03362	3.6
105.07018	5.8
107.04966	14.4
109.02870	4.5
109.06505	3.0
110.03627	2.8
115.05447	13.3
117.07008	13.9
119.04932	5.4
119.08558	2.5
121.06532	5.0
123.04423	13.9
124.05234	2.5
128.06210	10.3
129.06999	20.5
131.04907	6.9
131.08543	4.0
133.02858	4.8
133.06516	11.3
134.56363	2.2
135.04385	4.3
137.05969	20.5
138.06331	4.9
139.03889	8.3
141.06982	7.7
142.07851	2.8
143.04926	5.2
143.08569	6.7
144.05643	6.8
145.06454	13.8
145.13672	2.4
147.04382	8.4
147.08070	9.0
149.05930	3.4
151.03903	25.3
151.07494	3.5
152.06213	4.2
153.05521	3.4
153.06978	8.9
154.07710	2.5
155.04901	3.2
155.06068	2.7
155.08499	5.2
157.06509	13.1
157.10109	2.6
159.04414	8.1
159.08049	5.3
161.05972	5.8
163.03914	6.0
165.05486	100.0
165.06927	10.2
166.07729	7.4
167.03365	2.5
167.07057	71.8
167.08461	5.0
168.07397	18.1
169.06508	4.9
171.04340	3.3
171.06668	3.1
171.08018	9.8
173.05931	13.9
174.06406	4.6
175.03857	4.4
175.07530	9.1
176.04720	5.2
177.05484	9.5
178.07748	5.0
179.07112	4.7
179.08580	7.7
181.04941	41.3
181.06448	9.8
181.10132	9.0
182.05412	13.9
182.06941	4.1
183.08067	6.9
184.07298	8.8
185.05974	14.9
185.09592	3.4
187.03973	3.4
187.07458	4.4
189.05499	16.2
190.07779	4.5
191.08537	8.3
194.07304	3.5
195.06439	3.1
195.08098	5.6
197.05992	2.8
199.07539	9.8
201.05463	3.2
202.07706	2.7
203.03329	3.9
203.07005	21.2
203.08525	5.0
205.08446	2.6
205.10098	8.8
207.08122	4.3
209.05966	12.5
209.08020	6.2
209.09688	11.5
211.07481	7.6
213.05472	19.1
213.09200	3.0
214.06152	2.4
215.08546	7.2
217.04984	5.8
218.07306	4.7
219.08089	5.5
221.06000	3.4
221.07962	4.7
222.06477	2.6
223.11140	5.7
226.08502	2.6
227.06976	17.1
227.10663	4.6
229.08507	3.3
231.06326	3.3
233.07776	3.9
233.09659	8.2
235.09557	21.8
236.10040	2.4
237.05470	8.1
237.09053	10.3
237.96956	2.5
239.07048	3.7
243.08098	4.0
245.04424	5.1
245.08055	9.9
251.10719	6.7
253.08673	3.3
255.06496	26.8
255.10129	5.6
261.09067	9.5
262.06375	2.5
265.04904	5.2
265.08594	15.9
269.08023	6.2
273.07501	3.3
279.10126	11.6
283.06042	12.8
283.09686	20.3
287.09146	16.6
287.12482	3.4
289.08484	7.7
297.07974	3.9
297.11163	15.6
301.06894	4.1
307.09653	13.0
315.08578	23.1
315.12225	42.8
317.08020	4.2
321.10913	3.1
325.10764	9.9
333.09583	6.3
335.09186	6.6
339.12134	13.1
347.11234	31.7
349.10785	7.8
353.10184	17.3
357.13223	12.2
367.11716	46.5
371.11169	3.6
385.12811	50.7
386.13187	14.8
387.14420	7.3
388.14505	8.1
399.14499	14.5
403.13782	7.4
415.13721	2.5
417.15149	7.2
418.15692	4.3
477.17596	3.8
614.23535	4.8
670.47034	2.7
776.28424	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	776.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.4
55.05500	1.4
57.03436	1.1
59.04998	8.6
61.64918	0.5
65.03932	0.7
67.05494	4.7
69.03429	4.1
70.06584	0.7
71.01358	3.6
71.04990	1.1
73.02892	0.8
74.42664	0.5
77.03912	1.2
79.01862	0.7
79.05489	19.4
81.03413	10.6
81.07069	2.7
83.04977	2.6
85.02903	5.0
85.06534	0.9
87.04474	0.7
91.05481	8.1
92.17873	0.5
93.03399	0.8
93.07045	9.2
95.04964	22.8
95.08611	1.6
97.02887	4.9
97.06512	1.1
98.21533	1.2
99.04453	1.3
103.03938	1.7
103.05463	10.3
105.03384	1.3
105.04531	1.7
105.07037	2.1
107.04952	100.0
108.05256	0.7
109.02876	85.4
109.06507	7.0
110.03212	0.9
111.04451	5.2
111.08112	0.6
117.07021	0.8
119.05002	1.0
121.06506	19.6
123.04422	8.7
125.02357	7.2
125.05993	1.6
127.03898	4.5
131.04929	7.7
131.50502	0.6
133.02844	2.6
133.06525	1.0
135.04414	6.3
137.06000	4.3
139.03899	51.5
139.07503	2.8
140.04276	0.6
141.05478	1.7
145.04950	1.0
145.06476	0.8
147.04398	1.6
148.07622	1.4
149.05978	34.3
151.03899	23.3
151.05133	0.7
153.05463	4.1
156.30763	0.6
157.05002	0.5
159.04405	5.0
161.05908	0.8
163.03876	0.6
163.07527	2.1
165.05473	90.3
166.05890	0.9
167.07036	29.7
168.07346	0.9
173.05923	1.2
173.92387	0.5
175.03954	1.2
175.07571	0.6
177.05469	68.9
179.07074	0.6
181.04974	1.8
181.08618	2.3
183.06586	0.7
189.05457	0.9
189.09186	0.6
191.07068	3.3
195.06532	13.1
201.05687	0.5
207.06465	0.8
209.08084	79.5
210.08472	0.6
227.09146	16.0
227.11392	1.0
269.06738	0.6
269.10175	0.7
281.08960	0.7
295.08041	0.7
303.08444	0.6
315.09552	1.0
316.10147	1.0
321.09711	2.1
325.11664	0.7
339.10693	4.2
347.12482	0.8
353.12372	0.8
369.10767	2.4
370.11075	2.1
371.13306	1.6
388.12253	0.9
401.13330	0.9
402.13565	1.2
501.26160	0.9
512.24518	0.7
520.27521	0.6
529.25848	1.0
530.25854	2.0
547.17767	1.1
548.27106	1.4
566.27771	0.9
579.20404	0.8
652.20728	0.8
653.22083	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	776.297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	3.5
55.05497	1.2
57.03423	1.6
65.03928	2.7
67.05493	3.6
69.03413	4.2
69.78135	3.7
69.78559	3.9
70.06629	1.4
71.01351	2.8
77.03908	1.4
79.05497	11.2
81.03406	4.1
81.07046	1.2
83.01340	2.4
85.02889	5.3
85.79158	1.1
91.05470	13.4
93.03449	1.5
93.07016	2.0
95.04969	15.0
97.02879	4.3
98.21516	1.7
100.33527	1.2
103.05453	4.3
105.03365	4.9
105.07042	8.1
105.46210	1.3
107.04942	12.6
109.06490	3.3
111.04398	1.6
115.05457	8.7
116.06244	2.3
117.07015	7.4
119.04946	3.6
119.08576	5.1
121.02853	2.2
121.06515	1.7
123.04415	6.2
125.02361	1.4
127.03925	2.4
128.06206	11.3
129.07010	18.9
131.04907	5.1
131.08554	4.3
133.02870	5.2
133.06532	7.7
135.04402	5.0
137.06003	7.7
139.03917	6.7
141.06995	6.8
142.07759	2.2
143.04921	1.7
143.08598	6.5
144.05713	7.0
145.06470	9.2
147.04398	3.3
147.08043	6.1
148.29945	1.2
149.02339	2.6
149.05930	2.3
151.03905	11.5
152.06175	2.9
153.05397	2.4
153.06975	13.8
154.07718	3.0
155.04903	1.6
155.06010	2.6
155.08534	7.4
157.06512	11.7
157.10124	2.6
158.07283	2.5
159.04390	5.3
159.08067	2.9
160.05099	1.4
161.06000	2.5
163.03926	2.7
165.05504	100.0
165.06960	13.8
166.07785	7.7
167.03410	2.9
167.04826	1.5
167.07028	26.0
167.08530	6.6
168.05849	1.3
168.07358	4.3
169.06496	5.1
170.07263	1.6
171.08008	6.1
173.05984	6.6
174.06313	1.9
175.03935	3.4
175.07567	6.4
176.04684	4.8
177.05446	3.5
178.07768	3.8
179.07130	1.5
179.08546	4.9
181.04939	17.3
181.06499	12.2
181.10101	11.7
182.05350	3.0
182.07239	2.8
183.07990	6.3
185.05998	17.7
185.09602	3.8
187.03943	2.4
187.07547	2.9
188.89130	1.1
189.05460	13.2
189.06998	2.4
190.07764	7.6
191.07051	2.3
191.08501	8.2
192.09297	1.6
193.10133	2.9
194.07262	3.7
195.08044	4.5
195.11691	1.4
197.05930	3.8
197.09653	2.0
199.07564	11.2
199.11172	3.1
201.01926	1.2
201.05461	4.1
202.07906	2.7
203.03496	5.5
203.07013	16.7
203.08626	3.8
205.08536	1.8
205.10129	9.7
207.08064	2.9
208.08882	2.0
209.06033	10.4
209.09613	8.5
210.06718	2.5
211.07584	6.6
211.63464	1.2
213.05447	17.5
213.08995	2.9
215.08568	4.6
216.09351	1.3
217.04965	8.9
217.08553	3.2
218.07253	3.4
219.06256	2.1
219.08052	4.8
221.06041	2.3
221.09825	1.5
223.07544	1.6
223.11154	4.3
225.05521	3.2
225.09088	2.0
227.07045	14.4
227.10617	2.7
229.04970	2.8
229.08511	1.6
231.06331	2.3
233.04350	1.7
233.09715	10.0
235.07556	1.9
235.09570	19.4
237.05641	6.3
237.09052	12.5
238.06137	1.7
239.07045	4.8
241.08606	2.7
243.08301	1.8
245.04411	5.3
245.07944	6.1
246.05341	1.4
249.08984	1.4
251.07104	1.6
251.10661	8.8
253.04950	1.6
253.08650	3.1
255.06509	22.9
255.10095	9.2
257.08029	1.6
261.09125	10.2
265.05014	3.0
265.08569	14.2
269.08090	4.5
269.11575	2.8
273.07516	4.2
279.07263	1.7
279.10175	9.8
281.08051	2.5
283.05975	8.6
283.09644	15.6
285.07654	2.7
287.09216	16.7
289.08511	8.5
291.09717	1.4
293.11670	1.7
297.07635	3.2
297.11191	12.5
301.07196	1.5
307.09671	13.4
311.12833	1.6
313.10626	1.6
315.08572	23.8
315.12250	37.6
317.08096	3.6
321.11292	2.6
325.10773	11.8
329.09988	1.6
333.09631	5.1
335.09116	8.3
339.12268	9.7
343.11661	1.7
347.11234	35.9
348.11725	1.7
349.10739	5.8
353.10126	12.2
357.13205	7.1
367.11786	48.0
368.11932	2.6
371.11066	2.0
381.13333	2.7
385.12848	35.1
386.12946	6.2
399.14417	12.2
403.13837	6.5
417.15427	6.8
477.17307	4.3
509.16406	4.0
614.22943	2.6
759.37268	1.3
776.28387	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	775.301
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.1
57.03425	2.0
60.98438	1.0
62.25451	0.7
64.54548	0.8
67.05490	3.2
69.03412	2.9
69.55649	1.3
69.56049	5.5
70.08429	0.7
71.01347	1.0
71.04989	1.4
71.23848	0.8
77.03902	1.2
79.05489	9.3
81.03405	3.4
81.07063	1.2
83.45801	0.7
85.02895	3.1
91.05465	4.6
93.07023	5.4
95.04965	67.5
97.02883	8.6
103.05482	5.5
105.03399	0.9
105.04510	1.6
105.07038	6.3
107.04955	51.3
109.02876	37.2
109.06534	4.0
110.03107	0.7
121.06519	11.1
123.04425	14.6
125.02354	28.9
125.05981	4.8
127.03921	3.1
131.04918	5.2
133.02899	1.1
133.06490	11.1
135.04431	5.0
137.05975	21.0
145.04990	2.0
147.04384	0.7
149.05971	20.9
150.06670	1.4
151.03900	100.0
152.04198	1.9
153.05470	7.3
153.53415	0.7
159.04364	4.7
161.05942	0.9
163.07535	3.4
165.05440	1.0
165.09111	9.0
167.03346	1.0
167.07037	1.3
175.07581	3.0
177.03905	1.9
177.05461	34.6
179.07027	1.2
183.10173	4.6
193.08632	0.9
195.06526	75.9
196.06755	1.3
203.10681	2.0
213.07530	6.2
221.11693	2.7
239.12877	1.8
251.09172	5.4
257.13852	18.2
269.10181	0.9
295.07968	1.1
303.08722	0.9
309.13315	0.9
321.09570	1.3
339.10727	6.1
357.11603	5.3
363.14349	2.7
387.18158	0.8
389.15872	11.1
409.26263	0.9
415.17511	8.8
433.18640	5.2
436.10272	0.8
486.64175	0.9
514.42554	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	3.4
65.03942	7.2
67.05499	2.0
69.03416	1.5
69.54769	6.6
70.06551	1.0
77.03936	1.2
77.69015	0.8
78.04701	2.8
78.99068	0.8
79.05494	6.0
81.03407	2.1
81.07032	1.2
82.04179	1.6
85.02894	2.4
91.05476	8.1
93.03402	2.6
93.07044	2.3
94.04184	2.0
95.01344	1.0
95.04984	6.9
97.06517	2.1
98.00694	1.0
103.05473	13.4
105.03362	1.9
105.04488	1.4
105.07000	4.9
106.04172	3.2
107.04951	12.4
109.02885	3.6
109.06503	1.1
110.03651	3.5
111.04433	6.6
112.79421	0.9
115.05459	5.4
117.07017	2.8
118.04198	1.2
119.04945	3.4
119.08521	1.2
121.02855	2.4
121.06506	5.9
122.03648	4.2
123.04427	13.4
124.05224	2.8
125.05991	6.2
128.06203	2.3
129.06990	5.8
131.03940	1.3
131.04918	23.8
131.05859	1.9
133.02835	1.9
133.06458	4.4
134.03644	1.7
135.04378	3.2
136.65536	0.8
137.05974	68.5
138.06305	1.2
139.03856	1.9
140.04649	2.1
141.07018	1.6
143.04924	1.8
144.05663	1.8
145.06517	5.2
147.04417	5.1
147.08015	1.5
149.05971	6.4
150.06700	1.0
151.03925	5.1
151.07530	7.3
152.04767	2.2
153.05466	20.8
155.05997	1.9
155.07100	1.4
157.06458	4.2
159.08037	3.1
160.05190	2.5
161.05963	10.0
163.03880	4.3
163.07539	16.3
164.01286	0.9
165.05482	5.3
165.06931	2.1
167.07028	100.0
168.07372	1.3
169.06413	1.2
171.08049	1.1
172.05241	1.3
173.05974	5.2
174.06728	1.0
175.07568	9.1
176.04623	1.3
177.05510	7.0
177.06822	1.5
177.09143	1.2
178.07779	2.3
179.07013	5.7
179.08487	1.8
181.04973	12.9
181.06435	1.5
181.08568	2.7
183.06529	1.9
183.08018	1.7
184.07405	1.9
185.05945	2.1
186.06737	1.7
187.07515	11.2
189.05469	2.5
189.07042	1.6
189.09090	3.4
191.07036	9.8
191.08556	1.9
191.41991	0.9
193.06853	1.1
193.08565	5.0
194.07339	1.3
195.06461	1.6
195.08089	1.2
196.08798	1.6
199.07561	4.6
201.09091	1.5
202.07765	1.4
203.06982	2.9
203.08589	2.3
205.06604	1.4
205.08554	2.3
206.07260	2.1
207.06453	2.4
207.08144	2.6
209.06152	1.9
209.08083	6.7
211.07512	2.7
215.06924	2.0
217.08601	4.1
218.07343	2.4
219.08154	4.4
220.08835	1.9
221.05975	2.4
221.09584	1.1
223.07469	3.0
224.08331	1.9
225.07285	1.4
225.09227	1.9
226.06306	1.1
231.08046	2.5
232.08751	1.7
233.06113	1.2
233.07945	2.1
233.09872	1.5
234.06781	1.9
235.07536	4.1
235.09627	1.9
236.08243	2.9
237.09126	3.9
239.07004	3.1
239.10837	1.3
246.06779	1.6
247.07564	4.4
248.08293	2.4
249.05316	1.1
249.09155	4.4
251.06964	2.5
251.10696	2.2
252.07904	1.1
253.08696	3.0
254.09367	2.6
255.10107	1.8
259.07507	1.8
260.08231	1.3
261.09036	3.0
262.06061	1.4
262.10004	1.9
263.06998	2.5
263.11035	1.0
264.07751	4.8
265.08615	6.4
266.09360	1.9
267.06323	1.1
267.10242	2.3
269.07974	2.6
271.05823	1.3
275.06995	2.1
275.10593	1.3
276.07745	2.8
277.08633	4.2
278.09314	2.6
279.06534	2.0
279.10196	3.7
280.10904	1.6
281.08447	1.5
281.11752	2.8
282.09198	1.0
283.09726	3.2
284.10513	2.5
287.05341	4.8
288.07748	1.6
289.08493	2.5
290.09454	1.6
291.10059	2.5
292.07248	2.1
293.07986	2.7
293.11673	3.5
294.08887	1.6
295.09509	4.4
296.10275	1.2
297.11176	2.1
301.10852	1.1
303.09857	1.3
304.07239	1.3
307.09537	5.7
308.10269	1.9
309.07877	1.3
309.11139	5.0
310.12112	2.3
311.09213	1.7
311.12692	4.0
313.10825	5.1
315.12112	3.5
319.09552	5.4
321.11395	5.1
323.09253	2.3
323.12732	2.6
325.10739	7.6
325.14172	1.5
327.12131	3.6
329.13687	1.1
333.11224	1.5
336.13281	1.5
337.10721	10.2
338.11542	1.7
339.12277	22.5
340.12881	4.1
341.13959	5.8
347.12903	1.2
349.10770	1.3
351.12280	10.6
352.13223	1.2
353.13806	29.2
355.11749	2.6
357.13412	9.6
363.12338	1.3
367.11517	1.8
369.13348	3.9
371.14938	3.2
385.12830	5.7
387.14584	5.1
399.14520	1.3
417.15433	5.7
455.15198	1.2
485.16083	1.3
487.17413	2.6
499.17133	2.6
513.17975	1.0
517.18744	8.8
518.19116	1.5
519.19269	1.8
523.91742	1.1
529.18616	3.2
547.19403	2.2
549.19080	1.4
604.24152	1.0
613.22485	2.0
749.42303	1.1
775.28088	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	775.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.2
61.50533	1.1
65.03938	7.3
65.94626	1.1
67.05492	3.4
68.78779	1.2
69.03414	1.8
69.21483	13.3
75.01517	1.0
78.04702	3.7
79.01876	1.1
79.05495	9.4
81.03417	2.5
81.07063	1.5
85.02915	3.6
91.05490	10.6
93.03391	1.4
93.07037	1.5
94.04173	2.0
95.04960	11.6
97.06529	3.0
103.05470	27.2
105.03410	1.8
105.07012	7.9
106.04173	3.3
107.04954	16.9
109.02883	3.2
109.06533	2.9
110.03665	3.9
111.04455	7.0
112.56419	1.3
115.05434	6.1
116.06223	2.2
117.03356	1.6
117.07051	3.6
119.04943	5.9
121.06495	7.2
122.03650	4.8
123.04436	12.5
124.05217	3.0
125.06028	7.4
128.06190	3.0
129.07014	7.1
131.04930	40.0
132.05650	1.5
133.02841	2.1
133.06508	5.5
134.03645	1.6
135.04416	3.9
135.08083	2.0
137.05978	47.5
137.09564	1.7
139.03888	2.8
140.04692	1.6
141.07001	1.6
143.04948	2.2
144.05679	2.6
145.06479	8.0
147.04420	7.7
147.08034	1.9
148.05202	2.2
148.66345	1.1
149.05998	10.4
149.66893	1.1
151.03957	6.0
151.07565	13.4
152.04691	1.4
153.05472	15.4
155.04939	2.0
155.07053	1.8
157.06490	5.0
159.08003	2.9
160.05196	2.4
161.05995	12.1
163.03932	6.0
163.07555	33.8
165.05481	7.0
165.06950	2.6
165.09160	1.7
167.07042	100.0
168.07317	2.1
169.06471	1.4
171.08041	1.6
172.05235	2.1
173.06012	6.8
174.06778	2.7
175.07529	13.8
176.04726	2.1
177.05475	10.4
177.09090	2.3
178.07780	1.8
179.07013	5.7
181.04962	19.9
181.06425	1.1
181.08617	3.2
182.07324	1.8
183.06522	3.4
183.08052	1.8
184.05312	1.3
184.07362	2.9
185.05988	3.5
186.06703	1.7
187.07541	13.5
189.05472	3.3
189.07220	1.4
189.09114	8.1
190.06238	1.5
190.07806	1.9
191.07007	15.6
191.08482	2.0
193.08617	7.2
194.02077	1.2
195.06511	2.7
195.08092	2.0
199.07553	6.2
201.05482	1.3
201.09084	1.8
202.07788	2.0
202.09634	1.2
203.06978	2.1
203.08678	2.5
205.06656	2.0
205.08585	4.2
206.07420	1.9
207.06482	3.0
207.08226	1.4
209.06152	1.7
209.08002	12.4
211.07637	2.5
215.06940	2.7
217.08531	8.5
218.07341	3.0
219.08076	6.0
219.10049	2.1
220.08804	1.7
221.06006	2.9
222.06580	1.5
223.07553	3.2
224.08382	2.0
225.09142	2.7
231.08069	3.3
233.06052	1.9
233.09761	1.6
234.06734	3.6
235.07483	6.3
235.09602	1.7
236.08350	3.3
237.05586	2.0
237.09120	3.3
238.06384	1.4
238.10045	1.4
239.06992	2.4
241.08734	3.8
246.06731	2.1
247.07584	5.2
248.08319	2.7
249.09067	7.4
249.11356	2.5
250.06126	1.5
250.09923	2.2
251.07091	3.5
251.10687	4.7
252.07863	3.8
253.08594	2.7
254.09433	3.4
255.06395	1.2
259.07440	2.1
260.08322	1.5
261.09186	4.7
262.06335	2.0
262.09909	1.4
263.06985	3.6
263.10812	1.8
264.07828	3.8
265.08618	6.9
266.09427	2.7
267.10165	4.2
269.08109	4.2
271.09784	1.2
275.07016	2.1
276.07800	3.0
277.08511	7.5
278.09366	3.1
279.06613	2.9
279.10126	5.2
280.07568	1.9
280.10843	1.8
281.08139	3.5
281.11600	1.9
283.09756	2.7
284.10504	4.1
287.05460	21.1
289.08618	3.8
290.09174	1.6
291.10239	4.5
292.07382	2.3
293.08102	4.6
293.11737	4.4
294.08905	2.5
295.09595	6.6
297.11237	1.6
298.08676	1.9
298.12045	1.5
301.11002	1.8
303.10028	1.8
305.08209	2.1
305.11859	1.4
306.08948	1.7
307.09637	9.5
308.10416	4.1
309.11154	5.2
310.11932	1.9
311.09424	1.5
311.12692	6.9
313.10773	8.4
315.12482	2.6
317.08429	1.6
319.09579	4.0
320.10626	1.9
321.11234	4.3
323.09204	3.7
323.12799	2.6
325.10712	3.9
325.14081	2.4
326.11649	2.7
327.12320	5.5
332.83524	1.4
333.11105	2.2
335.09061	1.9
335.12848	4.6
337.10748	14.1
338.11459	3.2
339.12289	38.6
340.13058	3.9
341.13879	9.9
343.11691	2.7
351.12299	11.1
352.13089	2.7
353.13855	38.2
354.14084	2.6
355.11826	7.3
357.13269	4.8
363.12488	2.0
365.13608	1.4
367.11804	2.6
369.13513	7.0
371.15079	3.1
378.14600	2.1
383.14847	2.9
385.12799	7.4
387.14526	5.7
401.15921	1.5
417.15692	6.4
467.15216	1.9
485.15970	4.4
487.17474	3.5
497.15622	2.3
499.17441	5.5
501.19061	2.0
517.18555	11.1
519.19879	2.5
529.18347	4.8
531.20288	1.4
547.19421	4.5
551.19739	1.4
613.22467	2.4
775.28412	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	775.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.7
57.03416	0.7
61.02903	0.5
65.03933	3.5
66.04705	0.4
67.05479	1.2
69.03436	3.6
69.49450	0.7
69.49861	2.1
70.06577	0.5
73.02906	0.6
78.04716	3.1
79.05496	2.2
81.03397	1.3
82.04174	1.4
85.02905	4.6
91.05482	5.1
93.03391	0.8
94.04187	0.7
95.04963	2.6
96.02109	0.3
97.02896	1.8
97.06506	1.5
98.88520	0.3
103.05463	3.0
105.03391	0.5
105.06985	0.9
106.04150	1.2
107.04956	3.6
108.02063	0.8
109.02855	1.4
110.03659	1.8
111.04408	1.3
115.04710	0.5
115.05451	6.4
117.07016	9.3
119.04932	4.5
121.06464	1.0
122.03609	1.1
123.00784	0.6
123.04426	7.1
124.05233	2.5
125.05981	1.9
127.03928	0.7
127.05416	1.7
130.04117	0.4
131.04912	3.1
133.02805	0.6
133.06412	0.7
134.03598	0.5
135.04408	0.8
137.05972	10.9
138.03072	0.7
142.02617	1.4
143.04892	1.0
144.05670	0.9
145.06485	15.6
147.04398	6.2
147.08025	1.4
148.05106	0.4
149.05981	0.5
151.03905	2.4
151.07542	1.6
152.04715	2.6
153.01855	0.5
153.05447	2.2
155.04926	0.6
155.06027	4.6
157.06487	0.5
160.05231	0.8
161.06029	2.1
162.06801	0.4
163.03915	0.6
163.07539	0.9
165.05481	1.8
167.07036	100.0
168.07359	1.5
171.04346	0.5
171.06548	3.1
172.05249	0.4
173.05984	24.3
174.06453	0.8
175.03824	0.3
175.07536	2.8
177.05443	1.0
177.09105	0.6
179.07091	2.4
181.04951	64.1
182.05325	1.0
183.06546	0.7
187.07576	0.6
188.04701	0.6
189.05405	0.8
189.09209	0.5
190.06293	0.7
191.07014	3.1
193.08618	0.9
195.06479	0.9
201.05553	1.8
201.92110	0.4
203.07018	4.2
205.08592	6.5
205.10361	0.6
207.06389	0.5
209.08022	0.4
213.05515	0.5
217.08591	0.6
219.06480	1.3
219.10252	0.3
221.06087	0.6
221.08118	1.0
222.06842	0.5
223.07710	0.4
231.06508	1.0
233.08073	7.0
233.56895	0.4
234.06778	0.6
234.08916	1.2
235.07607	0.5
235.09654	8.1
237.09137	0.8
239.07156	0.5
241.08368	0.4
245.08188	0.5
250.06284	1.0
251.07021	0.4
253.08540	0.5
262.06073	0.3
263.07019	0.6
264.07831	0.5
265.08600	1.3
266.09415	0.5
267.06516	0.6
267.10071	0.7
281.07983	0.5
282.08871	1.1
283.09518	0.8
287.05457	6.5
292.07202	0.5
293.08136	1.4
294.08789	0.7
295.09656	1.2
297.11334	1.2
299.09061	0.6
307.09561	0.5
309.07626	0.4
309.10889	0.4
309.66068	0.3
310.08194	2.0
315.12408	0.4
323.09131	0.6
325.07437	0.5
325.10767	2.1
326.11441	0.8
327.12231	0.5
329.13794	0.9
339.12476	0.9
342.11176	0.9
343.11746	0.5
353.10306	1.2
354.10947	0.6
355.11700	0.7
357.13367	9.1
367.11856	0.6
370.10309	0.5
371.14938	0.4
381.13333	0.4
385.12802	41.1
386.13345	2.0
387.14371	6.6
397.12857	2.6
399.14249	0.7
403.13882	2.9
415.13959	4.3
416.14661	1.2
417.15417	11.2
535.19525	0.4
565.20587	0.8
577.19312	1.0
583.22217	0.7
595.21527	0.9
613.22760	18.3
614.23010	1.2
775.28033	28.2
776.28851	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.9
55.44009	0.6
57.03428	0.9
65.03936	4.4
65.98251	0.7
66.64330	0.6
67.05499	1.6
69.03425	3.5
69.07025	0.9
69.45596	3.5
69.46017	2.4
70.06596	0.8
71.25996	0.6
73.02932	0.7
77.03893	0.8
78.04720	3.7
79.05467	2.6
81.03406	1.7
82.04180	1.1
83.04974	0.7
85.02534	0.6
85.02898	7.1
86.09725	0.7
89.03939	0.7
91.05467	5.9
93.03405	1.1
95.04945	2.9
96.37614	0.7
97.02853	1.9
97.06516	1.8
103.05450	4.4
105.07007	1.8
106.04151	2.0
107.04943	3.7
108.02085	1.1
109.02927	1.8
110.03627	2.1
111.04451	1.6
115.05442	7.1
117.07018	11.3
119.04942	5.7
119.08601	0.9
121.06559	1.0
122.03674	0.8
123.04420	9.8
124.05193	3.0
125.05989	1.8
127.05436	2.0
131.04973	3.2
133.02809	1.1
133.06508	1.2
135.04391	1.1
137.05980	14.9
140.04724	0.8
142.02612	2.2
143.04903	0.8
145.06476	17.5
147.04404	6.8
147.08026	0.9
149.05945	1.6
151.03879	4.7
151.07509	1.3
152.04672	2.4
153.05428	2.2
154.42984	0.7
155.05013	0.7
155.06021	3.9
160.05168	1.3
161.05957	3.2
163.03860	1.0
163.07550	2.0
165.05431	2.1
167.07031	100.0
168.07388	1.5
171.06534	3.4
173.05986	21.4
174.06592	0.8
175.07556	2.9
177.05519	1.5
179.07077	3.5
181.04948	67.5
182.05222	0.7
183.06430	0.7
187.07547	0.9
189.05400	1.2
189.08992	1.0
190.06203	1.1
191.07048	5.2
201.05473	1.9
203.06953	3.5
205.08568	6.8
209.08064	1.6
219.06393	1.2
221.06129	0.9
221.08086	1.2
223.07542	0.9
231.06541	1.1
233.08076	7.0
235.07544	1.2
235.09627	6.1
236.08250	0.9
250.06354	0.8
264.08051	0.8
265.08603	2.0
282.08896	1.1
283.09705	1.6
287.05466	0.8
293.08118	1.7
297.11389	1.9
303.06558	0.8
310.08487	1.3
315.12103	0.8
325.10651	2.3
326.11356	1.0
337.10620	0.9
339.12363	1.3
342.10727	0.9
353.10089	1.0
353.67804	0.7
357.13327	7.8
385.12775	37.5
386.13528	1.4
387.14368	7.2
397.12924	1.8
399.14163	1.2
403.13940	3.0
415.13962	3.0
416.14563	2.0
417.15375	12.9
565.20825	1.3
595.20746	0.8
613.22723	15.9
614.23090	1.2
714.12933	0.8
775.28046	30.8
776.28625	1.9
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
55.01850	1.1
57.03410	0.6
65.03936	3.4
67.05484	1.9
69.03428	3.1
69.03717	0.5
69.31268	2.7
69.31692	2.3
71.01344	0.6
71.04978	0.6
73.02885	0.8
78.04706	3.1
79.05482	2.7
81.03396	1.4
82.04184	1.1
82.37653	0.4
85.02904	5.1
86.09706	1.0
91.05465	6.2
93.03366	1.1
93.07061	0.5
94.04159	1.1
95.04966	3.0
97.02879	1.9
97.06510	1.6
100.11276	0.8
103.05463	3.3
105.04467	0.5
105.07019	0.9
106.04157	1.9
107.04951	4.9
108.02137	0.6
108.05297	0.4
109.02876	1.1
110.03653	2.4
111.04429	1.5
115.05448	6.6
117.07012	9.4
119.04932	4.6
121.06480	1.1
122.03647	0.9
123.04431	9.1
124.05230	3.6
124.05996	0.6
124.99887	0.5
125.05969	1.8
127.03904	1.2
127.05449	1.4
129.07004	1.0
131.04927	2.8
133.02808	1.1
133.06447	1.4
135.04388	1.4
135.08102	0.6
136.05121	0.5
137.05966	12.3
138.03111	1.0
139.03908	0.8
142.02626	1.0
143.04875	0.9
144.05632	0.7
145.06480	15.8
147.04419	5.5
147.08017	1.4
148.05112	1.1
149.05951	1.9
151.03918	4.2
151.07513	1.8
152.04657	2.1
153.05418	2.2
155.04892	0.9
155.06000	4.2
155.07004	0.5
157.06500	0.5
159.04382	0.6
161.05954	2.1
162.06743	0.6
163.03961	0.7
163.07538	1.3
165.05478	2.3
167.07028	100.0
168.07382	2.0
171.06490	2.6
173.05975	25.1
174.06651	1.0
175.07581	2.5
177.05481	1.7
179.07042	2.3
181.04939	57.7
182.05321	1.7
183.06479	0.5
184.07381	1.9
187.07573	1.1
189.05432	0.8
189.09123	0.7
191.07001	3.1
193.08588	1.4
195.06546	0.9
197.08147	0.5
201.05472	1.5
203.06989	3.6
205.06581	0.8
205.08583	7.4
207.06531	0.7
209.07994	1.0
210.14822	0.5
215.29474	0.6
217.08568	0.6
219.06505	1.4
222.06680	0.7
224.08408	0.6
231.06488	1.3
233.08018	6.8
234.06676	0.8
234.08736	0.6
235.07568	0.9
235.09648	7.8
239.07304	0.5
250.06180	0.5
251.06927	0.8
258.04800	0.5
263.06863	0.6
264.07788	0.6
265.08813	0.8
267.10223	1.1
279.06519	0.6
281.08234	1.1
287.05392	1.9
292.07510	0.6
293.08032	1.2
297.11319	2.3
299.09375	0.7
307.09622	0.5
310.08240	1.4
311.09018	0.8
313.10995	1.1
314.11490	0.6
323.09198	0.5
323.88748	0.5
325.10693	2.5
326.11371	0.8
327.08734	0.7
327.12347	0.9
329.13898	0.8
337.10687	0.6
339.12338	1.3
340.12790	0.7
342.11298	0.6
353.10101	1.1
355.11749	0.7
356.12234	0.6
357.13303	7.5
367.11569	1.1
369.13470	0.6
370.14398	0.8
373.12787	0.5
383.11346	0.6
385.12802	32.4
386.13351	1.7
387.14423	7.8
397.12830	1.8
399.14435	1.2
403.13629	3.2
415.13867	4.3
416.14548	1.7
417.15390	11.7
466.12030	0.6
467.12512	1.3
559.18335	0.6
565.20111	1.2
577.19385	1.4
613.22736	17.0
771.38452	0.6
775.28027	26.4
775.56799	1.0
776.28662	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.5638
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05033	0.9
57.07077	0.2
58.06366	0.1
58.06628	0.5
59.07394	0.1
60.08163	7.2
60.99041	0.1
67.05505	0.2
71.06988	0.3
71.07372	4.1
71.46323	0.2
72.08143	0.1
75.43400	0.1
76.31792	0.1
78.87361	0.1
79.05476	0.1
81.07043	0.2
85.43192	0.2
86.09705	34.8
87.10020	0.2
98.98463	3.4
100.79479	0.1
104.10740	2.6
104.30727	0.1
107.08607	0.1
122.02869	0.1
125.00002	23.7
143.01056	0.3
166.02724	0.2
173.24327	0.2
184.07338	100.0
185.07741	0.8
278.92499	0.1
490.47723	0.1
496.34219	0.2
756.55310	3.8
757.55127	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.563
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11427	0.1
56.05031	0.8
57.07054	0.1
58.06314	0.2
58.06627	0.5
60.08163	7.2
61.08488	0.1
69.07041	0.1
70.06590	0.2
71.07368	3.7
71.08633	0.2
71.26535	0.3
81.07059	0.2
86.09704	34.7
87.10038	1.0
95.08608	0.2
98.98457	3.3
104.10739	2.2
112.08735	0.2
114.30475	0.1
125.00001	24.2
125.59065	0.1
126.00362	0.3
127.00441	0.3
127.06346	0.1
143.01030	0.4
147.07959	0.1
166.02614	0.3
171.73024	0.1
184.07336	100.0
185.07706	3.2
186.07759	1.1
496.33771	0.1
665.70813	0.1
756.55383	3.4
757.55414	0.2
774.55634	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.3
59.04992	6.6
67.05490	3.7
69.03419	4.7
69.58893	5.4
71.01352	3.2
71.05012	1.5
71.07835	1.2
79.05486	11.2
81.03414	5.9
81.07084	1.2
83.01331	1.6
83.04955	2.0
85.02897	4.3
91.05481	4.4
93.07037	5.1
95.04964	38.4
97.02888	4.0
99.04430	1.4
103.03936	1.8
103.05456	6.6
105.03362	1.4
105.06974	1.4
107.04219	1.8
107.04949	41.4
109.02872	70.5
109.06506	4.4
110.03181	1.4
111.04421	2.3
119.04947	1.7
121.06511	10.9
123.00777	1.4
123.04420	13.3
125.02355	4.9
125.06104	1.4
127.03918	3.5
131.04935	3.5
135.04308	2.6
137.05965	3.1
139.03897	36.0
139.07570	1.6
140.03995	1.3
141.05458	1.4
145.04977	2.0
145.31137	1.1
147.04448	1.8
149.05991	19.6
151.03897	55.8
158.28931	1.1
159.04413	5.1
165.05470	100.0
167.07042	7.7
175.03885	2.5
177.03867	2.7
177.05458	56.4
181.04900	1.5
183.06459	2.0
191.07053	3.9
193.04948	7.4
195.06526	10.1
196.07938	1.1
207.06531	3.6
209.08087	61.6
211.05971	8.0
225.07553	18.6
227.09145	2.1
243.08607	6.0
295.08105	1.8
301.09244	1.7
306.12540	1.1
339.10751	5.1
371.13168	1.6
541.97290	1.2
726.76251	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4986
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	3.9
55.05507	20.2
57.03197	1.6
57.03434	21.2
57.07063	3.1
60.08143	4.3
65.03927	3.4
67.05499	67.5
69.03408	4.5
69.07066	14.5
70.11143	7.0
71.04980	4.8
71.07361	2.1
79.05488	49.3
81.03410	100.0
81.07048	65.0
83.04970	6.8
83.08608	23.6
85.02897	2.7
85.06549	2.8
86.09698	18.6
91.05470	37.0
93.07037	50.8
95.04961	29.8
95.08604	51.5
95.43581	1.4
97.02896	2.5
97.06514	6.0
97.10157	7.1
98.21529	1.8
98.98365	2.2
99.08064	1.8
105.07021	29.0
107.04930	5.9
107.08585	27.1
109.06499	6.3
109.10138	23.9
111.04439	2.5
111.08066	8.5
117.07001	9.8
119.04976	1.6
119.08560	30.6
121.06459	3.4
121.10130	29.6
123.04410	2.2
123.08064	3.5
123.11693	8.2
124.99990	16.0
125.09602	5.2
129.06993	12.2
131.08562	20.8
133.06445	3.9
133.10107	15.9
135.08025	2.4
135.11644	14.6
137.05920	1.8
137.09612	2.3
137.13258	2.4
142.07758	3.3
145.10129	13.4
147.08041	3.3
147.11678	15.2
149.09564	6.4
149.13185	7.5
151.11140	2.0
157.10127	10.8
159.11670	7.6
161.13261	5.4
163.11212	2.9
163.14828	4.1
165.12738	2.8
171.11722	2.3
173.13268	7.7
175.11166	8.0
175.14784	2.7
177.12726	1.8
184.07320	60.1
185.13237	3.1
187.14792	2.4
189.11102	3.4
189.16396	2.0
193.12221	21.1
199.14801	1.5
227.12733	7.0
235.13432	1.9
238.76723	1.6
243.21111	6.6
248.50664	1.8
249.14764	2.8
261.22110	17.8
265.14163	1.6
267.15881	99.2
268.16153	2.0
285.16833	1.9
301.14468	1.8
301.25232	7.3
309.17041	4.0
317.24765	3.6
335.25763	93.3
336.25940	2.8
435.27304	2.7
435.32654	6.3
453.33664	7.7
471.34674	4.7
527.37292	66.1
528.37579	2.7
545.38287	44.6
546.38354	4.1
569.38184	4.4
570.57220	1.7
635.39752	2.1
756.54608	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	774.4628
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	11.2
55.05508	34.5
56.33362	3.0
56.97922	2.8
57.03440	18.1
61.02921	7.1
63.46320	2.6
63.57884	2.5
65.03936	5.3
67.05504	80.7
68.05829	3.0
69.03427	13.9
69.06805	2.5
69.07072	29.4
71.04991	9.5
71.52048	4.7
79.05493	80.6
81.03418	65.8
81.07059	83.0
83.04982	25.4
83.08617	25.6
85.02901	28.8
85.06536	5.7
86.09698	18.0
91.05479	100.0
93.07042	74.5
95.04973	42.8
95.08608	37.0
97.02885	10.9
97.06537	14.3
97.10160	9.7
99.04436	3.9
99.08084	6.8
105.02010	3.2
105.04552	2.7
105.07032	81.0
106.07386	5.2
107.04955	17.1
107.08600	42.2
108.85166	3.5
109.06508	17.2
109.10164	18.7
111.04419	4.3
111.08082	20.8
114.12121	2.7
115.05470	5.6
117.07017	20.4
119.08579	59.6
121.06522	10.7
121.10151	34.2
123.08067	6.9
123.11681	3.6
124.99969	15.1
125.09623	4.0
126.30851	3.0
129.07042	20.2
131.08588	36.7
133.06490	6.9
133.10136	50.6
135.11726	16.1
137.09650	5.8
142.07750	3.5
143.08551	9.9
145.10101	25.4
147.07928	3.2
147.11682	34.8
149.09601	13.9
149.13266	12.5
157.10141	17.6
159.11682	15.9
161.13254	16.3
163.11205	8.3
163.14764	3.7
165.12743	8.6
171.11711	10.4
173.11723	3.1
173.13246	9.2
175.11214	17.0
175.14764	3.8
177.12672	4.0
179.14279	3.6
181.10106	4.1
183.11633	3.0
184.07338	69.0
185.13246	7.9
187.14850	4.0
193.12257	52.5
195.13719	3.1
196.07114	2.9
199.14745	3.6
209.11693	3.1
211.13277	58.0
211.15059	5.0
212.13686	3.5
227.12834	3.8
229.14441	6.4
241.19467	15.7
253.14513	4.3
257.18927	7.0
259.20630	39.7
267.15891	21.2
269.17441	12.9
275.20059	17.0
283.15332	7.7
285.16983	49.4
287.05493	35.9
293.21078	3.4
315.23312	4.7
324.88266	4.2
333.24225	27.3
349.23730	5.7
451.31940	6.8
461.28864	8.5
469.33438	3.9
477.28302	4.5
479.29749	21.2
525.35382	10.6
543.36780	31.7
559.36053	8.8
762.03412	3.4
775.38452	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	774.4632
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	11.2
55.05513	50.2
57.03436	28.0
58.21564	2.5
61.02913	6.1
61.35914	2.3
65.03934	4.2
67.05505	86.7
69.03429	9.9
69.07070	44.4
70.45290	2.4
70.69221	2.4
71.01331	3.2
71.05000	13.0
71.51186	2.7
76.52296	2.2
79.05492	73.3
81.03420	90.1
81.07056	100.0
83.04983	25.7
83.08613	40.9
85.02900	37.1
85.06544	3.7
86.09708	8.6
91.05480	81.0
93.07043	80.3
95.04968	43.8
95.08605	41.2
97.02896	10.3
97.06528	22.9
97.10189	16.4
99.04469	4.2
99.08113	3.7
103.05456	3.1
105.07027	62.2
107.04955	23.3
107.08588	39.4
109.06483	12.1
109.10152	18.6
111.04465	5.8
111.08082	15.5
113.06026	5.1
115.05492	2.7
117.07014	17.0
119.08577	47.6
121.06509	6.6
121.10130	32.6
123.08097	9.4
123.11716	4.0
125.00021	4.7
125.09616	8.8
127.03960	4.3
128.06261	3.2
129.07019	19.9
131.08557	34.3
133.06490	3.9
133.10121	38.4
135.08046	6.8
135.11708	14.2
137.09596	3.4
142.07794	3.0
143.08566	4.6
145.10115	22.3
147.08086	5.6
147.11678	30.2
149.09619	26.3
149.13261	12.8
151.11227	2.7
154.20154	3.0
155.08565	3.3
157.10104	25.8
159.11641	14.4
161.13271	4.5
163.03932	5.0
163.11198	14.5
165.12766	9.0
171.11670	4.7
173.04417	3.7
173.13297	3.4
175.11189	26.9
175.14824	2.7
177.12791	3.7
179.14340	3.7
183.11679	4.2
184.07315	31.8
187.07492	2.6
189.11319	4.0
190.98303	3.0
193.12236	58.5
193.13896	4.4
195.13847	8.0
211.13289	93.7
227.12740	14.4
239.17839	2.5
254.16502	2.6
255.15932	11.2
257.19086	14.9
267.15887	41.6
269.17548	25.0
275.20050	33.5
276.43246	2.5
285.16962	89.2
286.17123	3.4
287.05511	11.0
288.05933	4.1
293.21063	2.7
331.22525	4.1
349.23727	34.1
349.27719	4.2
367.24933	4.5
443.28067	2.6
447.27335	8.6
461.28992	21.7
465.28635	15.7
479.30081	73.1
480.29803	4.2
541.35486	14.7
559.36462	39.1
577.37341	5.8
623.34253	4.0
774.43634	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	774.4624
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17932	2.0
55.01855	7.9
55.05508	37.0
57.03436	25.4
60.08155	4.8
61.02909	3.8
65.03920	6.1
65.43526	2.0
67.05501	83.9
69.03433	12.2
69.07064	34.9
69.34500	19.5
71.04977	9.9
71.07359	2.9
77.86844	2.0
78.05778	2.0
79.05487	77.0
81.03413	84.5
81.07050	99.9
81.71636	2.1
82.07373	2.6
83.04970	28.2
83.08614	45.7
85.02894	31.8
85.06535	6.5
86.09705	23.6
91.03947	3.6
91.05474	76.6
93.07034	78.7
95.04968	36.9
95.08598	40.0
97.02880	9.8
97.06518	20.5
97.10158	10.8
98.98412	2.3
99.08097	4.6
101.49091	2.5
105.07031	52.3
107.04931	17.6
107.08578	40.0
109.06485	14.3
109.10165	14.0
111.04426	4.6
111.08057	14.3
113.05964	4.1
115.05469	3.4
117.07024	14.7
119.08569	47.1
121.06487	8.6
121.10136	26.5
123.08061	5.0
123.11697	7.8
124.99986	14.4
125.05925	2.4
125.09628	5.0
127.03895	6.3
127.07558	2.1
129.07004	21.1
131.08568	33.2
133.06470	3.6
133.10123	34.3
135.08008	5.5
135.11674	16.5
137.09621	5.4
141.06972	3.0
142.07738	3.4
145.10089	15.7
147.08040	6.3
147.11665	24.2
149.09567	17.7
149.13239	17.6
151.11092	3.9
157.10097	21.7
159.11667	14.5
161.13234	3.7
163.11212	9.1
165.12727	6.3
171.11691	2.6
173.04314	4.0
173.13306	3.6
175.11182	15.8
177.12749	5.0
184.07327	72.9
185.13225	2.5
193.12234	62.3
195.13707	5.6
211.13271	89.1
227.12840	3.7
239.18040	2.9
255.15945	12.9
257.18903	8.1
267.15887	40.5
269.17462	47.2
275.20056	29.2
285.16937	82.2
287.05402	25.3
288.05759	11.0
349.23746	19.7
367.24658	4.4
439.26526	3.5
443.27692	3.6
447.27640	10.7
461.29025	39.5
465.28445	20.9
479.30032	100.0
480.30225	5.3
541.35022	7.2
559.35986	17.8
577.37048	6.0
623.33850	3.9
775.38745	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	773.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26665	1.8
56.96560	2.7
69.03442	3.2
71.50697	2.0
71.51077	2.3
81.03418	6.2
85.02915	5.3
97.02885	5.7
98.97593	4.3
100.00092	2.9
101.00915	2.4
105.00349	1.7
107.04977	7.9
111.61990	1.6
116.98611	2.3
118.01153	7.2
119.01926	12.2
119.04942	1.9
127.03950	2.7
131.01910	9.4
137.03072	2.8
137.05986	34.1
142.01122	5.0
143.01926	10.2
144.02684	2.9
145.03519	7.0
147.04456	6.2
155.01921	9.5
156.02715	5.9
157.03510	3.5
160.02170	4.4
161.02953	15.4
168.02705	4.9
171.82202	2.0
172.02240	3.3
173.02969	10.9
174.03644	3.7
175.04623	3.6
177.03943	2.7
178.01137	2.8
179.07018	1.9
181.03488	10.7
184.02278	3.5
185.03047	3.9
186.03804	4.2
194.04272	3.4
195.05046	17.6
196.02164	11.7
197.03015	7.4
199.04610	3.9
199.52879	2.3
203.04134	7.2
204.02991	2.3
205.03589	2.4
207.05176	2.7
209.06638	3.6
213.06107	2.5
218.04364	3.4
219.01762	4.5
219.05061	33.0
221.03093	3.6
221.04956	12.8
222.03836	6.7
223.04526	7.9
226.03249	3.4
230.04460	2.4
231.05247	6.0
233.02917	4.1
233.06693	3.7
236.05299	6.7
237.02884	5.5
237.06082	33.3
240.04884	5.3
241.05843	2.6
244.04297	100.0
245.04626	3.8
245.06989	2.5
246.03935	8.3
247.04582	7.3
248.05286	2.5
249.06277	6.8
251.03989	2.4
251.07773	3.4
253.05750	2.7
255.07289	2.6
259.04633	8.6
260.05399	2.9
261.06104	17.6
262.05328	16.7
263.08102	2.3
264.04797	26.8
265.05661	5.3
269.03247	3.3
275.07693	1.8
276.04813	5.0
278.06305	2.8
279.07153	24.4
288.04684	2.1
289.05679	2.2
291.07257	5.3
295.06638	11.8
297.08368	4.4
300.04810	5.9
307.06592	14.5
309.05090	2.4
309.08325	7.1
313.07913	3.0
320.07169	2.6
321.08301	18.5
336.07187	5.4
337.08060	2.5
339.09512	4.6
348.06912	73.6
349.07629	7.3
363.09241	18.5
366.08014	10.0
369.10126	2.1
381.10342	58.0
381.15265	3.7
397.09967	3.1
399.11398	69.9
400.11703	2.6
413.08862	2.1
415.10498	3.4
417.12354	10.6
422.12973	3.7
431.10059	4.3
457.12180	2.3
468.15759	1.8
608.83392	1.9
611.17639	3.9
663.90167	1.9
755.22327	7.8
773.23407	79.5
774.23737	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	772.5481
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.5
56.05032	0.6
57.07057	0.2
58.06631	0.5
60.08164	5.5
67.05511	0.2
69.07070	0.3
70.17160	0.1
71.07374	2.6
71.19270	0.2
73.08076	0.1
78.99002	0.1
79.05482	0.2
81.07059	0.5
83.08617	0.3
86.09705	27.6
87.10030	0.6
91.05493	0.2
93.07043	0.2
95.08587	0.3
98.98464	2.5
104.10742	2.2
116.99510	0.1
117.07095	0.1
125.00001	18.7
126.00372	0.3
143.01042	0.2
166.02637	0.3
184.07336	100.0
185.07709	2.5
186.07793	0.8
198.22389	0.1
291.19394	0.2
308.29541	0.3
496.33911	0.2
601.44446	0.9
754.53821	4.0
755.53400	0.3
772.54132	0.9
772.82440	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.5482
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80563	0.1
56.05042	0.7
56.36387	0.1
58.06363	0.1
58.06625	0.4
59.07387	0.2
60.08166	6.8
63.17723	0.1
63.33886	0.1
65.38003	0.1
69.88173	0.2
69.88585	0.5
70.06580	0.2
71.07375	3.4
71.08615	0.1
81.07059	0.2
86.09708	31.5
87.10025	0.4
93.07024	0.2
97.18090	0.1
98.98465	3.3
104.10741	3.0
116.99519	0.1
125.00007	21.5
140.21692	0.1
143.01038	0.3
166.02727	0.3
184.07346	100.0
185.07689	1.1
188.32137	0.1
295.61743	0.1
313.49048	0.1
324.79031	0.1
496.33960	0.2
772.54840	6.8
773.55475	0.7
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
55.05508	0.1
56.05039	0.6
57.07060	0.1
58.06314	0.1
58.06630	0.4
59.07413	0.2
60.08162	5.6
67.05508	0.2
69.07070	0.1
70.06600	0.1
71.07372	3.1
71.08625	0.1
77.99310	0.1
79.05492	0.2
80.97459	0.1
81.07061	0.1
86.09705	27.7
87.10030	0.3
91.05492	0.2
93.07027	0.1
95.04994	0.1
95.08615	0.1
98.20731	0.1
98.98460	3.0
104.10742	1.8
105.07050	0.1
125.00000	18.3
126.00327	0.1
140.01038	0.1
143.01079	0.3
166.02635	0.2
184.07338	100.0
185.07668	1.2
229.36493	0.1
232.93910	0.1
239.25185	0.1
255.14828	0.1
266.97128	0.1
271.01959	0.1
324.69626	0.1
392.92926	0.1
496.33627	0.2
498.30109	0.1
532.08807	0.1
601.44470	0.1
754.53778	3.8
755.54041	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	23.5
55.05511	52.4
57.03436	28.0
57.07057	4.7
59.04994	6.2
61.02916	6.9
65.03922	4.1
67.05505	82.1
69.03423	13.2
69.07072	46.7
71.04986	11.2
71.50538	4.3
79.05490	77.3
81.02940	3.3
81.03415	56.6
81.07051	99.4
83.01331	9.7
83.04976	34.8
83.08149	4.2
83.08616	42.0
85.02903	22.8
85.06551	6.4
86.09690	11.1
89.06017	4.0
91.05473	77.3
93.07037	81.8
95.04967	28.6
95.08600	32.0
97.02885	19.5
97.06527	23.2
97.10162	22.5
99.04447	6.6
99.08084	5.5
105.04536	3.1
105.07030	52.3
107.04938	23.8
107.08588	51.7
109.02844	4.6
109.06501	14.8
109.10151	16.1
111.04410	7.3
111.08075	12.9
115.05434	5.8
117.07019	25.1
119.08585	42.6
121.06486	11.6
121.10139	24.7
123.08054	21.3
125.00008	7.6
125.09631	14.6
127.03880	6.4
129.05464	2.6
129.06990	14.5
130.07788	3.1
131.08577	29.3
133.06541	4.1
133.10127	29.3
135.08031	11.7
135.11699	25.3
137.09590	6.2
143.08551	3.6
145.06445	4.2
145.10117	38.9
147.08054	8.9
147.11678	17.6
149.09645	14.5
149.13261	9.1
153.09065	3.5
153.12689	3.1
155.08557	3.3
157.10129	11.1
159.11720	14.2
161.09651	2.6
161.13213	3.8
163.03787	3.9
163.11183	37.7
165.09070	3.2
169.10182	3.8
171.11700	5.2
173.09686	5.7
173.13248	4.9
175.11218	11.0
177.12784	5.8
179.14268	3.2
181.12108	3.2
184.07309	31.3
187.11176	2.7
189.11212	8.3
191.10648	5.3
193.12254	26.5
195.13817	3.0
197.13264	3.5
199.16933	6.1
209.11668	7.9
211.13266	35.0
223.13269	12.7
227.12762	24.6
247.20753	3.0
255.15912	9.0
257.18988	9.9
267.15897	27.2
269.17532	20.9
273.18417	12.5
275.20071	30.5
283.15402	100.0
285.16995	38.5
287.05505	17.5
291.19553	70.9
293.20950	3.2
320.51990	3.0
349.23663	32.9
365.23267	32.5
367.24390	3.6
421.00528	3.2
445.26117	4.0
453.24881	5.3
463.26874	21.6
465.30179	3.9
477.28430	86.5
539.33313	4.5
557.34814	57.9
558.35321	3.4
575.27362	4.3
575.35736	46.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.5033
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.2
55.05510	10.7
57.03443	5.7
57.07065	2.0
61.02929	13.8
65.03932	0.8
67.05504	20.9
69.03427	8.7
69.07063	8.1
69.27096	6.0
69.27504	1.2
71.01344	1.4
71.04987	2.1
73.02914	7.6
79.05491	14.2
79.18254	0.8
81.03417	4.8
81.07056	17.9
83.04996	1.5
83.08630	4.8
85.02907	11.7
85.06514	1.4
86.09704	3.0
86.14388	0.8
91.03946	7.0
91.05471	12.4
93.07043	14.7
95.04968	2.5
95.08602	16.6
97.02884	10.8
97.06516	2.6
97.10167	2.4
98.20790	1.5
99.08107	1.3
101.02376	2.6
105.07036	11.7
107.08599	9.3
109.02876	1.6
109.06500	1.7
109.10161	7.6
111.08098	1.0
115.05533	0.8
117.07006	8.0
119.08575	11.1
121.10152	6.6
123.11696	2.2
125.00016	1.0
125.09639	1.0
127.03938	2.2
128.06223	2.2
129.06982	7.4
131.08569	11.8
133.10144	7.3
135.08041	1.0
135.11693	3.5
141.06953	5.7
142.07776	2.4
143.08563	11.0
145.10114	9.3
147.11665	4.2
149.13213	1.9
152.05655	0.7
153.07008	0.7
155.08568	8.7
156.09396	1.0
157.10155	10.6
159.11708	7.3
161.13245	2.4
163.14803	1.1
165.05440	0.9
165.06914	1.0
166.07713	1.0
167.08560	4.9
168.09390	1.1
169.10133	10.0
170.60139	0.8
171.11671	7.8
173.13217	3.9
175.14743	1.8
179.08588	2.2
180.09410	0.8
181.10118	5.5
182.10861	1.0
183.11699	10.3
184.07329	8.3
185.13235	6.4
187.14842	2.4
193.10150	1.7
195.11652	7.4
197.13258	7.1
199.14714	4.3
201.16444	1.0
205.10194	1.4
207.11722	3.3
209.13281	5.1
209.23875	0.8
211.14819	4.7
213.16391	2.3
215.17908	0.7
221.13219	2.9
222.13823	0.9
223.14844	4.8
225.16388	3.5
227.14345	1.0
227.18071	1.2
235.14775	1.8
237.16435	2.0
239.17934	2.5
249.16335	1.1
251.18008	2.0
253.19484	1.0
267.20932	1.1
274.32727	0.8
275.17575	0.9
287.23889	0.8
311.23572	1.0
321.21985	1.1
325.25110	1.1
337.25348	1.5
349.25174	0.9
351.26746	1.6
358.04370	0.8
361.25073	1.1
363.26547	1.3
365.28506	1.8
422.29572	1.1
447.32181	1.3
499.39853	1.0
501.35422	1.4
517.40088	7.6
535.41376	3.1
539.37134	2.7
541.39240	1.1
545.38165	9.1
546.38538	1.3
579.28809	1.1
591.44354	4.7
607.43268	2.5
609.45111	100.0
610.45325	8.4
717.46863	1.1
735.48315	0.9
753.48425	1.2
771.50360	19.0
772.50500	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.5035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.1
55.05510	12.9
57.03424	4.1
57.07080	1.5
61.02925	12.9
67.05505	25.5
67.84437	1.6
68.77766	1.4
69.03430	7.3
69.07073	10.5
69.67687	1.6
71.04978	2.8
71.52357	1.8
73.02914	5.9
77.50519	1.6
79.05493	20.5
79.78761	1.5
81.03408	4.9
81.07059	21.1
83.05002	2.0
83.08609	4.7
85.02901	11.5
85.06562	2.2
86.09710	2.8
91.03944	8.2
91.05479	16.0
93.07040	19.5
95.04974	3.9
95.08604	18.8
96.17732	1.4
97.02892	10.9
97.06525	3.9
97.10159	3.0
99.04500	2.2
99.68565	1.6
101.02370	3.2
105.07047	17.7
107.04987	1.7
107.08613	10.6
109.10166	6.3
111.08060	1.8
115.05457	2.1
117.07018	8.8
119.08585	14.0
121.10146	5.7
123.11696	3.5
127.03950	2.4
128.06276	2.4
129.07031	7.6
131.08566	12.2
133.10138	10.4
135.08031	2.4
135.11714	4.6
141.06981	4.4
142.07790	2.2
143.08536	11.7
145.10115	11.7
147.11676	5.8
149.13266	2.5
155.08592	9.7
157.10106	10.3
159.11658	8.8
161.13257	3.6
163.14803	2.0
165.07150	1.4
167.08607	4.0
169.10120	12.0
171.11665	10.4
173.13313	3.8
175.14819	2.4
181.10098	7.2
182.10890	2.6
183.11725	11.9
184.07358	3.6
185.13264	7.7
187.14819	4.0
193.04941	2.5
193.10197	2.2
194.10957	1.9
195.11691	10.0
197.13255	8.2
199.14828	5.8
207.11681	2.4
208.12480	1.9
209.13301	5.6
211.14839	6.3
213.16609	3.1
221.13258	2.1
223.14783	4.1
225.16464	2.8
235.14886	3.0
237.16342	2.9
239.17920	4.1
251.18031	2.3
251.23346	1.8
309.22043	1.8
335.25778	2.2
337.25269	2.1
393.31384	1.9
447.32217	2.7
453.33487	2.1
499.39398	2.0
517.40076	4.6
527.37158	1.8
530.38824	2.3
535.41376	2.2
539.37341	2.5
591.43671	10.7
607.43536	2.9
609.45135	100.0
610.45221	6.6
621.44897	2.1
753.48846	2.4
771.50494	23.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4672
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	12.6
55.05511	26.9
57.03432	14.3
67.05500	74.6
69.03416	7.5
69.07069	28.7
71.04054	12.1
79.05490	84.4
81.03402	22.6
81.07063	76.2
82.71232	5.3
83.04964	22.9
83.08607	13.5
85.06494	5.8
86.09699	28.4
91.05479	64.2
93.07043	87.0
95.04962	24.4
95.08600	38.3
97.02861	7.0
97.06505	14.3
97.10158	9.6
101.84089	5.8
103.42902	4.5
104.10715	11.0
105.07021	53.9
107.04968	9.6
107.08588	36.4
109.06491	5.6
109.10130	14.0
117.07011	22.6
117.85616	5.0
119.08578	41.3
121.06544	7.2
121.10141	14.9
123.08053	12.2
124.99984	9.3
125.09654	6.3
129.07024	11.0
131.08583	19.0
133.10109	21.9
135.11691	9.1
143.08553	6.2
145.10146	21.4
147.11664	41.3
149.09654	10.3
149.13271	6.5
159.11705	12.7
161.09735	6.7
161.13255	19.1
163.11191	16.2
171.11684	25.4
175.06351	5.8
184.07344	40.2
189.12746	9.9
207.13757	17.5
253.14313	7.6
257.19070	7.2
269.17432	17.2
275.20041	36.1
281.17456	70.9
283.15384	8.3
337.27280	10.0
349.23737	20.1
349.56082	6.2
405.00211	5.4
461.29160	26.7
475.30472	100.0
555.36621	44.2
573.37732	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	770.5321
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85093	0.1
56.05022	0.3
58.06619	0.4
58.86125	0.1
59.07381	0.2
60.08161	4.1
69.64531	0.8
70.19167	0.1
71.07374	1.7
83.57111	0.1
86.09700	18.9
87.10033	0.1
98.98461	1.4
104.10735	1.9
124.99998	11.2
129.19936	0.1
166.02769	0.1
184.07329	100.0
185.06223	0.2
185.07622	0.8
274.83667	0.1
319.62256	0.1
478.33102	0.1
496.34073	0.4
506.29428	0.1
770.53229	7.2
771.53455	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.2314
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03425	0.6
79.05472	0.3
81.03401	0.8
85.02887	1.1
88.60861	0.3
91.05400	0.3
91.99859	0.3
95.04958	1.4
97.02862	0.9
98.21639	0.5
98.27098	0.3
98.97555	0.5
107.04952	4.8
108.05235	0.4
109.02859	0.7
119.01904	0.8
119.57665	0.3
121.06431	0.4
123.04432	0.7
125.02328	1.2
127.03901	0.5
131.01881	0.4
133.06430	0.4
145.04871	0.4
147.00494	1.0
149.05980	0.9
151.03915	2.7
153.05524	0.4
157.03447	0.8
165.01620	2.9
176.96230	0.3
177.05424	0.7
181.03407	0.4
183.01361	0.4
183.05038	0.4
185.02750	0.4
185.04227	1.1
191.06789	1.1
195.06514	1.4
196.06909	0.4
203.05322	1.0
207.01471	0.6
207.04964	0.5
209.02971	0.4
209.06578	1.0
213.07613	0.7
217.04761	1.8
219.01328	0.3
221.05070	0.6
233.02936	1.3
233.06606	0.4
235.05779	16.7
236.05994	0.4
241.05583	1.0
253.05722	0.4
255.08371	3.8
259.27908	0.3
295.06665	4.3
309.04642	0.4
309.07986	0.4
313.07678	1.0
337.07718	1.5
353.11914	0.5
389.03085	0.4
397.11029	100.0
398.11365	3.1
415.10910	1.4
416.11417	0.4
457.11813	0.6
529.49982	0.3
700.48846	0.4
771.20660	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4311
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	9.0
55.05507	26.0
57.03429	10.6
57.07043	1.2
59.04991	3.2
61.02925	2.2
65.03943	1.9
67.05499	31.9
69.03426	9.5
69.07057	27.7
69.76741	7.7
70.06606	1.6
71.04980	4.9
73.02893	1.7
73.30924	1.2
79.05486	37.9
81.03403	15.3
81.07046	31.7
83.01344	6.6
83.04967	12.7
83.08611	16.1
85.02909	6.3
86.09695	4.6
91.05461	26.9
93.07032	37.7
95.04956	12.6
95.08602	16.9
96.53792	1.3
97.02881	11.2
97.06530	6.5
97.10155	11.3
98.21431	2.2
99.04432	2.6
103.05521	1.7
105.07027	19.4
107.04955	14.6
107.08576	23.9
109.06513	8.8
109.10159	10.9
111.04424	2.5
111.08052	2.7
117.06998	12.3
119.04955	3.3
119.08570	17.8
121.06480	4.9
121.10141	9.3
123.08051	7.3
125.00060	1.7
125.05946	1.7
125.09613	10.5
127.03870	1.5
129.06989	5.0
131.08557	9.5
133.06496	2.2
133.10107	9.4
135.08061	4.1
135.11684	10.4
137.09584	2.9
141.07022	1.8
143.08585	3.0
145.06462	1.6
145.10123	15.8
147.08047	7.2
147.11674	4.2
149.09612	3.4
149.13255	3.0
151.11136	1.7
153.08983	1.3
153.12788	1.4
155.08545	2.5
157.10138	2.1
159.11728	5.2
161.09636	2.5
161.13297	1.5
163.11160	19.7
165.09082	2.0
171.11639	2.4
173.09642	2.9
175.11134	2.3
177.12758	2.5
179.10680	1.6
181.12291	2.4
183.11722	2.1
184.07324	9.1
189.11211	3.5
189.12770	1.4
191.10590	1.5
195.11629	1.8
209.11713	5.0
223.13228	17.9
223.15092	1.4
227.12772	8.5
249.14851	1.8
253.14276	2.7
273.08594	1.3
273.18469	15.8
275.20117	2.3
283.15363	80.7
284.15762	2.6
291.19513	100.0
292.19833	4.4
347.22137	2.3
365.23199	48.9
458.08484	1.4
475.26852	1.3
493.27798	4.8
555.33130	2.7
573.34167	95.3
574.34399	6.7
607.43329	1.5
608.43677	5.2
629.47760	2.5
770.46918	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.3274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.5
59.66149	0.2
65.03936	2.9
67.05507	0.5
68.31879	0.2
69.03426	0.5
71.51206	0.3
75.04449	0.2
76.52806	0.2
79.05465	0.6
81.03415	0.4
81.07037	0.2
82.04188	0.7
85.02884	0.7
91.05488	1.3
93.03403	1.7
95.01303	0.7
95.04957	0.9
97.02882	0.4
97.99801	0.2
103.05464	0.7
105.03391	0.3
105.07044	0.3
107.04939	1.6
109.02856	0.3
109.06544	0.3
110.03663	3.3
111.04450	4.3
112.45478	0.2
115.05469	0.3
119.04952	1.4
121.02872	3.0
121.06474	0.7
122.03650	0.5
123.04436	0.4
124.05226	0.3
125.05997	5.9
127.03901	0.2
129.07025	0.7
131.04904	0.9
133.02843	2.2
133.06471	0.4
135.08022	0.3
137.05972	3.8
138.03113	0.4
138.06297	0.3
145.06459	0.5
147.04431	1.6
147.08032	0.4
149.02292	1.1
149.05968	0.7
151.03871	0.8
151.07564	1.8
153.05470	11.3
153.06755	0.4
154.05820	0.6
155.07103	0.2
157.06474	0.5
159.08025	0.8
161.05978	1.2
161.09601	0.9
162.06714	0.6
163.07556	1.0
165.05426	0.8
165.07007	0.8
165.09131	0.3
167.07071	3.2
167.08479	0.5
169.06537	0.3
174.06686	0.5
175.07550	1.1
177.05464	0.3
177.06976	0.2
177.09087	0.4
178.07820	0.4
179.07037	1.0
179.08534	0.4
181.05144	1.0
181.06544	0.6
181.08537	1.0
182.07263	0.5
183.08061	0.3
184.05124	0.4
187.07605	0.4
188.08218	0.3
189.07056	0.2
189.09172	1.6
191.07018	0.6
191.08559	0.3
191.18468	0.2
193.06445	0.4
193.08614	0.3
194.07173	0.3
195.08061	1.2
195.10042	0.4
196.08716	0.3
197.06015	0.7
197.09531	0.4
199.07523	0.3
203.06970	0.4
203.08632	0.3
206.07196	0.7
207.08063	0.7
208.08856	0.4
209.06084	0.4
209.07916	0.3
209.09665	0.4
210.06770	0.9
211.07515	1.1
211.09389	0.3
212.08369	0.6
213.09039	0.3
219.08020	0.7
219.10146	0.5
220.08727	0.3
221.05980	0.6
221.09648	1.4
222.06705	0.4
222.10405	0.6
223.07561	2.0
223.11165	0.5
224.08293	0.9
225.09035	1.6
226.06227	0.2
227.07082	1.1
227.10713	0.9
234.06744	0.9
235.07526	1.0
236.08286	0.4
237.09097	1.5
238.06259	1.4
238.09909	1.6
239.07076	1.6
239.10690	1.1
240.07793	3.8
241.08563	0.7
246.06815	0.2
249.05463	0.4
249.09079	1.3
249.11292	0.6
250.06425	0.3
250.09741	0.5
251.07051	1.2
251.10745	0.6
252.07820	1.3
253.08600	7.4
253.12221	3.5
254.05855	0.3
254.09335	1.3
255.06496	1.3
255.10147	2.6
257.08023	1.1
257.11813	0.4
263.06857	0.3
263.10693	0.3
265.08609	1.2
266.06039	0.3
266.09369	1.9
267.06592	0.8
267.10175	1.9
268.07321	1.1
268.10428	0.2
269.08090	1.7
269.11755	0.4
270.08875	1.4
270.12378	0.5
271.09750	0.3
271.13229	0.6
272.10501	0.3
277.08536	0.9
278.09354	0.4
279.06604	0.4
279.10089	0.5
280.07333	0.3
280.10550	0.2
281.08112	2.2
281.11719	2.7
282.08777	0.9
283.06354	0.3
283.09671	4.3
283.13120	0.5
284.10355	1.6
285.07596	0.6
285.11200	1.8
285.14828	1.0
293.07849	0.2
294.08832	0.6
295.09610	1.6
296.10345	0.8
297.11121	1.2
298.08398	0.6
298.11960	1.1
299.09299	0.4
299.12756	3.9
300.09885	1.2
301.07068	0.5
301.10538	0.4
302.07263	0.3
303.15698	0.4
309.11215	4.5
310.11981	1.2
311.12610	0.9
312.09866	0.4
313.10678	6.4
313.14316	2.9
314.11264	0.3
315.12262	0.3
317.13956	0.2
321.11005	0.3
323.12628	0.3
325.10834	0.5
326.11371	0.9
327.12250	14.2
328.12930	1.4
329.13605	1.2
331.15323	1.9
339.12195	1.8
340.12799	0.4
341.13815	2.5
343.15433	1.1
344.12381	0.3
345.16989	0.9
353.13788	0.3
355.15433	0.5
357.13284	0.7
358.13696	0.7
359.14871	100.0
360.15240	2.9
361.16498	2.9
371.14871	7.7
372.15201	0.3
373.16406	0.4
387.14410	0.2
389.15930	4.7
491.20386	0.5
509.21698	1.8
521.21313	0.6
531.57489	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	10.4
65.03931	6.7
67.05490	4.1
69.03413	5.8
69.86940	13.3
70.06577	10.4
70.27663	2.2
79.05475	10.2
81.03407	7.6
81.07047	2.7
82.04193	2.6
83.04980	3.2
84.08119	3.5
85.02899	11.5
89.03935	2.6
91.05466	12.8
91.59582	2.2
93.03387	5.1
93.07037	3.9
94.04146	4.0
95.01322	2.7
95.04950	14.2
97.02880	6.5
97.06508	2.6
103.05454	15.0
105.06994	8.6
107.01286	5.3
107.04971	15.8
107.91133	2.8
109.02859	7.5
109.06513	4.7
109.10200	2.4
110.03664	3.6
111.04444	15.3
115.05463	8.0
116.98584	2.6
117.03368	4.4
117.06994	5.6
117.17386	2.3
119.04932	10.6
121.06503	8.7
122.03611	3.6
123.04437	11.8
125.05988	9.6
127.03899	8.2
129.06987	21.9
131.04906	22.8
131.08522	4.6
132.05301	3.4
133.02850	4.0
133.06500	10.1
135.04376	6.8
135.08032	6.4
137.05968	70.1
138.06334	3.7
139.03900	13.7
144.05664	2.7
145.02847	12.6
145.06494	10.7
146.05966	3.1
147.04410	12.1
149.05991	13.3
150.06767	3.9
151.03885	22.5
151.07538	17.6
152.04224	2.8
153.05460	26.9
155.07076	3.1
157.06485	20.9
160.05193	4.2
161.05972	19.2
162.06660	3.3
163.03928	6.4
163.07535	16.9
165.05501	11.8
165.06760	2.8
167.07043	26.5
173.06012	5.2
174.06718	12.7
175.07536	28.3
177.05450	26.2
177.09073	4.5
179.07048	16.7
179.08444	3.8
181.04942	41.3
181.06500	3.0
181.08533	6.8
187.07443	11.3
188.08284	3.6
189.05438	5.3
189.09082	44.2
191.07010	16.4
191.08548	4.4
192.07388	4.5
193.08609	9.8
195.06496	3.5
197.08093	14.0
199.07634	3.3
201.09105	3.5
203.06946	4.6
205.08609	4.7
207.06488	4.5
209.08040	17.0
210.08521	2.8
211.07758	2.7
211.09653	3.8
217.08644	13.2
219.08183	5.1
219.10149	13.4
221.07915	15.6
224.08244	3.0
225.09109	3.4
234.06886	3.3
235.07425	4.6
235.09554	5.2
237.09152	4.5
247.07564	4.2
249.09152	4.6
251.10774	5.0
253.08583	5.5
253.12209	4.0
261.09015	4.1
264.07471	3.3
265.08414	3.4
267.10095	4.0
269.08154	3.7
277.08691	8.6
279.10120	6.3
281.11667	4.8
283.09537	6.4
287.05273	3.3
297.11038	4.5
300.09814	3.9
300.13074	2.9
307.09540	6.6
309.11166	7.7
311.12613	11.9
313.10645	9.8
313.14102	5.0
314.11270	4.9
321.11047	5.4
325.10571	4.3
327.12286	14.7
329.13806	100.0
331.15332	4.4
337.10184	3.0
339.12402	19.3
340.13010	3.1
341.13828	7.2
343.15417	7.3
353.13708	2.9
357.13281	53.1
359.14853	56.9
361.16296	5.7
371.14883	57.8
372.15436	3.8
375.14319	15.4
387.14310	5.3
389.15912	83.3
390.16205	5.5
411.11975	3.0
535.14075	7.0
599.21362	2.9
767.23218	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	766.328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79747	0.8
55.01857	0.8
65.03950	4.1
68.84727	0.8
70.06580	1.3
70.97267	0.9
71.47579	1.3
79.05492	1.1
85.02911	1.3
87.09222	5.2
91.05470	1.5
91.80820	0.8
93.03408	1.9
95.04994	0.9
97.53509	0.8
100.11233	1.0
107.04967	1.8
110.03654	4.0
111.04458	5.3
119.04932	1.8
121.02849	3.8
121.06478	1.4
125.05987	4.5
129.07004	1.2
131.04903	1.6
133.02806	3.1
133.08571	1.1
135.08008	1.4
137.05975	10.8
138.06345	1.2
145.06503	1.0
147.04401	2.0
149.02328	1.0
149.05952	1.5
151.03896	1.2
151.07530	1.4
153.05475	12.5
157.06442	1.2
161.05899	1.9
161.09503	1.7
162.06783	1.1
163.07605	1.1
164.44824	0.9
165.05478	1.7
167.07010	3.5
167.08339	0.9
169.56361	0.8
174.06688	0.8
175.07466	1.6
179.07054	1.1
179.60579	0.8
189.09056	1.3
193.08633	1.7
195.08087	0.8
210.06754	1.5
211.07761	0.9
211.09598	1.9
212.08177	1.0
219.10088	1.2
221.09648	1.9
223.07533	2.4
224.08255	0.9
225.09087	2.3
227.07120	1.8
234.06741	0.9
237.09088	1.3
238.06174	1.8
238.09929	1.6
239.06989	2.4
239.10805	1.4
240.07800	5.2
241.08423	1.1
249.09142	2.3
251.07059	1.7
251.10648	1.0
252.07997	1.5
253.08650	9.7
253.12216	3.6
254.09500	1.2
255.06386	1.1
255.10143	3.3
257.07852	1.7
266.09338	2.3
267.06436	1.1
267.10107	2.9
269.08121	1.7
270.08813	1.2
277.08508	1.7
281.08090	2.7
281.11740	3.0
282.08765	1.4
283.09634	5.9
284.10367	1.9
285.11154	3.2
285.14529	1.2
294.08795	1.5
295.09601	3.0
297.11243	1.6
298.12003	1.5
299.09482	1.0
299.12766	3.3
300.09973	1.0
301.07034	1.2
302.07385	1.9
309.11234	6.0
310.12003	1.2
313.10666	7.7
313.14294	2.9
327.12225	18.5
328.12839	2.0
329.13705	2.0
331.15289	2.3
339.12088	1.6
341.13724	4.5
343.15338	1.5
359.14883	100.0
360.15173	3.2
361.16479	3.8
371.14865	9.6
389.16010	4.0
485.18680	1.0
509.21945	1.6
587.47150	0.8
679.50568	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	764.5303
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95747	1.2
55.01872	1.8
55.05511	20.4
57.03436	13.5
57.07071	3.7
61.02913	4.4
65.03942	2.3
67.05502	81.9
69.03436	1.8
69.07072	18.1
71.05000	3.3
71.08622	1.6
79.05495	58.9
81.07056	74.8
83.04999	3.0
83.08607	11.0
85.02889	3.4
85.06528	3.4
91.03949	2.1
91.05478	37.3
93.07041	70.6
95.04971	8.2
95.08601	62.9
97.02876	2.2
97.06532	3.6
97.10174	3.4
99.08094	2.7
105.07029	28.2
107.08588	36.0
109.06512	2.1
109.10157	28.8
111.08076	4.1
111.11700	1.7
114.74429	1.5
117.07015	10.0
119.08576	23.4
121.10143	34.6
121.35892	1.4
123.08090	2.3
123.11703	9.7
129.07016	3.3
131.08589	20.6
133.10117	25.6
135.08043	2.1
135.11691	26.0
137.09685	2.2
137.13272	4.1
143.08586	3.3
145.10121	15.4
147.11684	17.4
149.09625	3.1
149.13260	13.6
157.10088	3.5
159.11696	13.7
161.13263	9.6
163.14848	4.0
167.05653	1.4
171.11697	3.7
173.13292	9.7
175.14844	4.1
177.16435	2.3
184.07399	3.1
185.13243	2.7
187.14845	4.3
189.16400	3.0
199.14804	2.8
201.16377	2.7
203.17937	2.9
205.19527	3.0
213.16367	7.2
215.17944	16.2
231.17450	5.4
233.19031	12.2
241.19324	1.9
243.21008	4.3
259.20618	6.7
261.22208	16.0
263.23798	1.8
299.23822	1.6
305.21008	4.0
307.22656	69.4
309.24277	6.8
317.24722	1.8
333.24170	4.0
335.25803	100.0
337.27362	6.3
401.56927	1.5
493.40286	2.8
567.44104	21.4
585.44995	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	764.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91227	1.4
55.01871	3.0
65.03922	2.1
65.73714	1.4
67.05506	2.9
69.03407	3.2
70.06599	2.3
71.51258	3.0
79.05490	4.1
81.03405	4.0
85.02888	5.6
91.05483	7.4
94.04182	1.8
95.04952	4.2
95.08600	1.5
97.02869	3.6
99.04428	1.6
103.05462	29.7
105.03387	2.4
105.07015	4.6
107.04976	6.7
109.02856	2.7
109.06511	2.8
113.06002	1.8
115.05429	5.1
117.07007	3.1
118.04148	3.2
119.04926	5.9
119.08543	2.2
121.06485	2.0
122.03644	4.8
123.04457	3.1
125.05984	2.8
127.03873	2.2
128.06201	2.1
129.06969	2.1
130.04135	1.6
131.04919	50.9
132.05679	1.6
133.02824	1.7
133.06465	5.4
135.04399	1.4
135.08046	2.1
137.05975	100.0
138.06310	2.6
143.04912	2.8
145.06450	4.0
147.04407	9.5
147.07959	1.5
148.05135	8.0
149.06000	3.8
151.03909	72.7
151.05005	6.3
151.07484	7.7
152.04317	1.8
153.05463	4.9
160.05112	1.9
161.05992	8.3
163.03851	1.6
163.07533	55.6
165.05504	6.6
167.07028	16.8
171.06544	1.6
173.05969	4.0
174.06488	1.5
175.07529	16.0
176.04655	2.4
177.04031	1.4
177.05449	5.0
179.07074	10.9
181.04932	20.2
187.07495	3.9
189.05350	1.5
189.09109	4.0
191.07025	86.1
192.07549	2.2
193.08554	4.3
195.06454	2.6
201.05499	2.0
203.07018	4.9
205.08549	9.4
209.08087	7.4
217.08621	3.6
233.08060	4.5
235.07539	1.9
235.09576	8.1
237.09180	2.4
249.08925	1.8
251.06847	1.8
259.09750	1.7
263.09167	22.4
265.08289	2.8
265.10843	2.4
277.08530	3.5
281.11612	2.0
286.14349	2.1
291.10303	1.5
295.09521	3.2
309.11105	1.7
325.10553	2.2
327.12222	6.0
337.10559	1.7
339.12140	1.7
341.13300	1.5
351.11899	1.7
355.11746	11.7
357.12903	2.2
369.13205	5.3
371.14590	1.4
387.14389	47.2
388.14685	1.8
469.14618	1.8
517.18512	7.2
519.19720	1.6
549.20514	1.9
580.64825	1.5
655.10681	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82648	0.3
55.01862	1.5
56.06294	0.3
61.02918	0.3
65.03934	12.6
67.05509	2.0
69.03418	0.7
69.36153	2.9
79.05469	1.3
81.03400	0.8
82.04178	2.1
85.02888	3.0
91.05478	3.6
93.03397	5.9
95.01305	1.4
95.04951	2.7
97.02888	0.7
97.06527	1.0
98.21537	0.6
103.03855	0.4
103.05413	1.5
105.03374	0.6
105.07049	1.6
106.04202	0.8
107.04956	3.2
108.02078	1.2
109.02841	0.8
110.02891	0.6
110.03654	13.7
111.04437	21.9
115.05463	1.2
117.07013	0.5
119.04933	3.4
121.02856	13.0
121.06490	1.5
122.03660	0.4
123.04433	1.3
124.05134	0.5
125.02343	0.3
125.05987	18.7
127.03859	0.4
129.06990	1.0
131.04915	2.7
132.05679	0.6
133.02846	3.4
133.06482	1.2
134.06049	0.4
135.04404	0.7
137.05963	6.4
137.09557	0.4
138.03084	1.4
141.06981	0.5
143.04906	0.5
144.05617	0.6
145.06467	1.9
146.07225	0.9
147.04417	3.5
147.08031	1.1
148.05119	0.4
149.02385	0.4
149.05988	2.2
151.03920	1.1
151.05029	0.3
151.07533	2.9
153.05455	100.0
154.05774	0.9
155.04922	0.5
158.07253	0.7
159.04483	0.5
159.08034	3.9
160.05200	0.5
161.05971	3.4
161.09563	0.4
162.06683	0.4
163.03905	0.9
163.07500	1.7
165.05437	1.5
165.06975	1.1
166.07753	0.5
167.07033	11.6
167.08394	0.6
171.04347	0.4
172.05199	0.5
173.05948	0.5
174.06757	1.2
175.07527	5.8
176.04633	0.6
176.08263	0.6
177.05431	1.8
177.08900	0.3
178.07780	0.7
179.07011	3.1
179.08609	0.9
181.04935	1.6
181.06462	1.3
181.08597	0.6
182.07269	0.7
183.06326	0.3
183.08011	0.4
185.05963	0.7
186.06755	1.3
187.07510	3.3
189.05447	1.0
189.07022	0.6
189.09045	0.6
190.07826	0.8
191.07185	2.0
191.08575	1.8
193.06461	0.5
193.08612	0.8
194.07205	0.5
195.06487	0.7
195.08037	2.0
196.08757	0.4
197.05945	0.5
197.09575	0.7
198.06735	0.6
199.07516	1.9
201.05325	0.5
202.07715	0.4
203.06926	0.9
203.08606	0.7
203.25540	0.3
204.07744	1.0
205.06491	0.9
205.08604	1.1
207.06395	0.4
207.08051	1.6
208.08817	1.3
209.07874	1.9
209.09633	1.1
210.06792	1.0
211.07498	1.5
213.09084	0.5
215.06873	0.7
216.07796	5.4
217.08549	1.3
218.07288	1.4
219.08057	3.6
220.08824	2.5
221.06004	1.5
221.09624	1.0
222.06731	0.8
223.07469	2.3
223.11110	0.5
224.08315	1.1
225.09096	3.2
226.06262	2.1
226.09959	0.4
229.08568	2.8
233.05925	0.8
233.07924	0.6
233.09856	0.4
234.06746	1.0
235.07466	2.0
236.08292	3.5
237.09088	2.3
238.06168	1.1
238.09888	0.4
239.07011	3.5
239.10684	1.8
240.07779	1.0
241.08485	0.7
246.06931	0.5
247.07437	2.0
247.09660	11.4
248.08138	1.8
249.05515	0.4
249.09244	1.5
250.06252	0.7
250.09740	0.7
251.06822	2.1
251.10663	5.7
252.07965	0.7
252.10983	0.4
253.08572	10.6
254.09314	2.9
255.06349	0.4
255.10081	0.8
256.10660	0.4
259.07611	0.5
261.05225	0.6
261.09027	1.1
263.07050	1.0
263.10574	0.4
264.07748	3.7
265.08594	3.7
265.11343	0.5
266.09344	1.5
267.07336	0.3
267.10135	2.5
268.07571	0.3
268.10809	1.0
269.11673	4.9
270.08871	0.8
275.06998	1.4
276.07883	1.6
277.08377	1.6
278.09406	1.3
279.06958	0.7
279.10013	4.4
280.07367	0.5
280.10803	0.6
281.08035	1.5
281.11618	1.1
282.08929	3.0
282.12048	0.5
283.06924	0.3
283.09662	2.2
287.12964	0.6
289.08670	0.6
290.09451	0.5
291.06464	0.5
291.10031	1.2
292.07214	0.6
293.07956	1.6
293.11380	0.6
294.08746	2.1
295.09613	1.8
295.12445	0.4
296.10391	1.1
297.11206	7.8
298.11917	0.5
299.09134	0.4
299.12790	0.5
304.07190	0.4
305.08047	0.5
306.08765	0.6
307.09610	16.0
307.13144	0.8
308.10376	2.0
309.07803	0.7
309.11053	2.6
310.08353	0.5
310.11826	0.4
311.09100	1.5
311.12769	1.1
313.10519	0.4
315.12219	0.8
319.09467	1.7
320.10242	0.8
321.11145	0.9
323.12720	1.3
324.10049	0.9
325.10690	55.7
326.11099	2.3
327.12265	1.9
329.13773	2.1
336.13513	0.4
337.10623	2.3
337.14349	0.5
338.11423	0.4
339.12250	41.9
340.12814	2.9
341.13831	6.3
351.12259	6.7
352.12805	0.9
353.13953	1.8
355.11682	1.6
357.13297	73.1
358.13626	1.2
359.14783	1.1
369.13287	9.6
370.14072	2.2
371.14810	0.7
387.14392	7.0
388.14838	0.5
489.18985	2.1
499.17462	0.7
501.18646	1.1
507.19955	1.0
517.18085	0.5
519.19598	0.5
531.20142	0.4
687.93384	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	2.2
61.43174	1.0
65.03619	1.6
65.03938	19.7
67.05512	2.3
67.60928	1.0
69.03421	1.1
70.06587	1.6
75.14829	1.1
79.05489	3.1
81.03432	1.3
82.04181	3.9
85.02905	5.8
91.05477	4.6
93.03389	10.3
95.01329	3.0
95.04961	4.5
97.06488	1.2
103.05438	3.2
105.07011	3.7
107.04961	6.9
108.02118	1.8
109.02895	1.5
109.06560	1.4
110.03000	1.7
110.03674	18.5
111.03728	1.9
111.04444	28.8
115.05457	2.3
119.04951	5.2
121.02872	18.5
121.06557	2.4
123.04432	2.9
125.05994	24.6
129.07013	2.0
131.04932	4.3
133.02853	3.1
133.06479	2.0
135.04407	1.5
137.05963	17.0
138.03117	3.8
144.05629	1.1
145.06445	2.4
146.07104	1.1
147.04408	5.4
147.08023	2.1
149.02309	1.5
149.05975	4.6
151.03918	7.3
151.07547	3.7
152.04286	1.3
153.05460	100.0
159.08037	4.7
160.05141	1.2
161.05991	5.7
163.03935	1.9
163.07513	3.4
165.05447	2.6
165.06911	1.8
167.07034	17.7
173.06024	2.1
174.06839	1.6
175.07581	7.1
177.05466	2.1
179.07022	3.8
181.04938	2.3
181.06422	1.1
182.07220	1.2
186.06741	1.4
187.07491	4.8
189.05440	1.5
191.07013	6.0
191.08479	1.9
191.33395	1.2
193.06544	1.2
193.08514	1.7
194.07288	1.4
195.06464	1.2
195.08107	2.4
199.07610	1.4
203.08559	1.3
204.07788	1.2
205.06549	1.5
205.08517	1.3
206.07260	1.7
206.88371	1.1
207.08124	1.5
208.08896	1.9
209.08014	2.0
209.09764	1.2
209.37517	1.2
210.06772	2.1
213.09355	1.7
215.06886	1.1
216.07817	4.1
217.08598	2.2
218.07198	1.7
219.08052	5.9
220.08771	3.1
221.05876	2.4
221.09572	2.1
223.07562	2.9
224.08226	2.7
225.09087	2.7
226.06313	1.2
229.08611	2.7
229.14063	1.2
233.05913	1.4
234.06671	1.8
235.07506	4.7
236.08278	5.3
237.09027	3.8
239.07036	4.6
239.10522	3.2
240.07692	1.4
246.06891	1.7
247.07463	2.0
247.09631	10.6
249.09105	3.0
251.07028	2.4
251.10663	7.0
252.07721	1.9
253.08580	12.5
254.09344	5.0
261.09085	1.5
263.07062	2.3
264.07779	5.4
265.08527	6.1
266.09198	1.5
267.10089	3.1
268.10779	2.1
269.11786	5.6
276.07904	2.1
277.08600	3.0
278.09485	1.6
279.10074	5.3
281.08130	2.4
281.11700	1.8
282.08826	4.7
283.09628	2.7
286.04739	1.4
291.10309	2.4
292.07275	2.6
293.07996	2.5
294.08838	1.7
295.09509	4.2
297.11191	10.4
301.07034	4.0
307.09656	17.6
308.10489	3.2
309.11273	2.4
311.09167	1.5
311.12769	3.0
319.09601	2.1
323.09323	1.4
325.10687	50.0
326.11285	2.5
327.12115	2.0
329.13782	2.3
337.10583	2.6
339.12286	43.1
340.12796	3.6
341.13828	7.2
351.12241	6.0
353.14017	1.5
355.11685	1.6
357.13333	61.5
358.13605	2.7
369.13242	10.2
370.13937	1.8
387.14334	7.5
418.98581	1.1
442.26108	1.4
447.36920	1.3
463.12469	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.8
55.01868	4.1
63.63921	2.2
65.03936	12.8
67.05481	3.5
70.06581	2.9
70.69952	2.9
70.70316	7.7
73.74474	2.6
78.04707	3.2
79.05489	13.2
81.03411	3.4
85.02912	4.4
91.05470	15.2
93.03394	7.1
93.07021	4.6
95.01341	3.1
95.04982	11.1
96.08137	3.6
103.05473	13.7
105.03432	3.8
105.04453	2.7
105.07035	12.7
106.04151	2.5
107.04948	28.5
108.08110	4.1
109.02883	5.9
110.03662	19.2
111.04456	26.8
115.05449	5.3
116.06232	2.8
117.06989	4.4
118.04161	4.0
119.04961	12.7
119.08549	3.1
120.08081	10.2
121.06512	7.9
122.03635	2.5
122.05997	4.3
123.04452	11.9
124.05186	5.3
124.07552	5.0
125.05997	26.0
128.06184	3.7
129.07014	10.9
131.04916	15.7
133.02846	7.5
133.06483	12.2
135.04375	5.5
136.07626	2.6
137.05972	49.3
138.03186	2.9
139.03922	2.9
141.06944	2.3
143.04936	2.7
144.05688	2.9
145.06483	5.5
146.06006	2.6
147.04398	11.6
147.08014	5.8
148.07559	22.0
149.05933	7.1
151.03911	16.3
151.07486	8.0
152.07068	10.5
153.05461	92.9
155.04904	3.9
157.06470	4.5
159.04404	3.1
159.08029	12.8
160.05176	3.5
161.05971	19.7
163.03877	7.3
163.07538	10.1
165.05441	7.2
167.07040	100.0
167.08394	3.6
169.06470	3.6
172.03941	9.7
172.05228	3.4
173.05963	4.4
175.07500	19.5
177.05440	8.2
179.07001	8.7
179.08498	3.5
181.04904	9.1
181.06456	4.8
185.06017	2.9
186.06834	2.6
187.07538	26.3
189.05472	4.9
189.06946	4.5
190.07796	3.1
191.07014	14.6
191.08606	7.0
193.08554	4.3
195.06456	4.2
195.08084	4.3
197.06059	3.6
199.07497	9.5
201.09094	4.2
202.07756	5.3
202.83615	2.3
203.06888	3.8
203.08624	2.7
204.06560	11.2
205.06586	5.4
205.08537	2.6
206.07256	4.2
207.06424	4.6
209.08073	7.7
211.07391	3.1
213.09105	5.3
214.06137	3.0
215.06807	3.4
215.08653	4.8
216.07784	8.8
217.08493	4.5
218.07259	6.3
219.08037	9.2
219.10062	2.9
220.08760	5.4
221.06096	4.4
221.09698	5.4
222.06725	3.9
223.07541	3.7
225.09079	2.6
229.08485	5.3
231.07979	7.0
233.05991	3.6
233.09599	6.6
234.06799	7.6
235.07439	14.0
236.08197	4.2
237.05472	2.5
237.09154	7.7
239.07025	5.3
240.07777	7.9
243.07930	2.9
245.05994	3.6
246.06783	3.1
247.07523	6.4
248.05687	4.4
248.08223	8.7
249.09128	10.3
250.09653	3.2
251.06958	6.2
251.10529	15.7
252.08572	6.4
253.08792	3.8
255.10648	2.5
257.08115	5.0
259.07535	5.2
260.08163	3.1
261.05426	3.0
261.09106	8.8
262.06284	2.8
263.07050	6.2
263.10687	3.4
264.07590	13.4
265.08551	15.6
266.09387	5.7
267.10208	3.3
271.06018	3.3
272.10376	3.9
275.07031	6.6
276.07825	9.3
277.08636	13.7
278.09311	8.2
279.07425	2.3
279.10080	13.9
280.07181	2.7
280.10913	4.2
281.08560	4.7
281.11710	9.2
287.10089	3.2
289.08603	5.3
291.06815	2.9
291.10120	9.0
292.07346	4.1
293.08221	6.7
294.08957	3.8
295.10141	5.2
296.09952	3.0
299.10129	5.3
303.10187	3.4
305.07922	4.9
306.08560	3.4
307.09644	38.8
308.10278	9.5
309.11136	27.4
311.09509	4.5
311.12781	10.0
313.10907	2.8
319.09613	6.5
321.11230	10.5
323.09961	18.3
325.10721	9.8
327.12329	6.4
335.12845	3.5
336.09695	3.1
337.10638	6.8
339.12314	98.5
340.12680	6.5
341.10117	5.2
341.13895	85.6
342.13965	3.3
351.12286	19.0
352.13034	3.7
353.13721	9.4
355.11325	2.8
357.13281	19.7
369.13113	3.2
411.11603	5.3
469.15179	3.1
474.16891	3.0
476.17844	4.3
487.17599	3.4
499.17236	4.0
506.19327	3.5
517.18335	3.0
519.19702	3.5
539.41510	2.7
550.21948	3.6
578.17352	3.0
580.19403	14.5
592.17035	2.8
594.20544	6.4
710.92078	2.7
713.24188	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	763.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.3
54.89729	2.0
55.01868	2.4
57.03410	2.3
65.03938	19.3
65.32166	1.8
67.05492	4.7
69.03416	4.5
78.04688	2.4
79.05483	7.3
80.21089	1.7
81.03423	4.3
81.07035	2.6
82.04218	2.0
85.02892	4.6
86.09678	1.7
87.43585	2.0
91.05491	16.8
93.03391	4.8
93.07027	5.0
95.01305	2.3
95.04971	25.2
96.05303	4.1
97.02867	3.5
97.06493	2.9
98.21611	4.2
103.05458	10.1
105.07050	14.2
106.04142	2.5
107.04958	28.7
107.08591	2.4
108.05281	6.6
109.02892	10.1
109.06485	2.3
110.03674	13.9
111.04453	22.3
114.05540	2.8
115.05445	8.0
117.07021	3.4
118.04195	2.2
119.04969	9.3
119.08589	3.2
121.02869	2.6
121.06520	11.5
121.84043	1.9
122.03659	2.9
123.04453	13.0
124.05262	2.1
125.02353	6.7
125.06005	21.1
127.03984	2.1
128.06239	4.8
129.07004	8.5
131.04912	12.9
132.05696	3.2
133.02832	6.2
133.06480	10.7
135.04431	4.0
135.08008	1.9
135.11687	1.9
137.05984	41.8
138.06349	3.3
139.03961	3.0
143.04845	2.4
144.05719	3.2
145.06459	7.6
146.03654	1.7
147.04477	8.9
147.08026	2.9
149.05951	10.1
150.06429	1.8
151.03912	34.6
151.07544	5.3
152.04305	5.7
153.05472	76.6
153.06781	4.5
154.05782	2.4
155.04904	2.2
157.06454	2.7
159.08055	10.4
160.05119	2.9
161.06000	22.1
162.06337	3.0
163.03929	2.9
163.07539	6.8
165.05510	6.1
167.07042	68.9
167.08458	4.1
168.07266	4.2
172.05130	3.8
173.06082	4.3
174.68105	2.1
175.07564	26.7
176.07831	5.6
177.05476	14.5
178.05865	2.9
178.07712	2.5
179.07024	9.0
180.07806	2.7
181.04979	7.0
181.06461	2.6
184.05313	2.0
185.05949	5.0
186.06821	2.8
187.07542	22.7
188.07874	2.4
189.05478	4.8
189.06995	3.1
189.09094	2.8
190.07747	5.9
191.07002	12.8
191.08597	6.2
192.07664	3.8
193.08635	10.3
194.08899	2.6
195.06488	17.1
195.07996	2.5
196.06862	5.4
199.07501	8.9
201.09024	2.2
202.07840	2.6
203.06944	3.2
203.08638	3.6
205.06528	4.0
205.08539	4.9
206.07213	5.3
207.06398	2.8
207.08047	4.3
208.08806	2.5
209.08087	5.6
211.07568	2.0
213.07448	4.6
214.06178	2.2
215.10364	2.8
216.07779	8.5
217.06548	1.9
217.08459	3.6
218.07224	6.5
219.08087	12.4
220.08730	4.5
221.05963	4.7
221.09750	4.0
223.07533	3.5
225.09286	2.8
229.08607	5.3
231.08060	4.6
233.05853	3.4
233.07831	2.2
234.06731	6.2
235.07516	10.6
235.09569	2.6
236.08293	6.4
237.09160	3.2
240.07753	3.1
245.05956	2.7
246.06667	4.7
247.07501	7.2
248.08342	6.2
249.05385	2.6
249.09160	11.5
250.09814	4.1
251.06961	4.5
251.10735	10.2
253.08601	2.7
260.08267	2.9
261.05554	2.9
261.08929	8.7
263.06992	5.0
264.07764	7.9
265.08649	14.4
266.09378	3.3
267.10123	3.9
275.06998	5.3
276.07803	8.2
277.08569	10.2
278.09323	6.4
279.07257	2.2
279.10199	12.6
281.08432	3.2
281.11761	10.2
282.08887	3.7
283.09848	2.9
289.08435	4.5
291.06726	1.9
291.10165	5.8
292.07516	2.5
293.08124	5.4
293.11304	2.2
294.08871	3.5
295.09573	4.0
297.11221	5.2
304.07184	2.1
305.08310	2.8
305.11624	1.9
306.08792	5.8
307.09641	31.3
308.10385	6.8
309.11191	16.8
311.12772	8.4
313.10663	2.3
319.09656	8.1
320.10220	2.3
321.11176	7.4
323.12784	4.5
325.10590	6.1
326.11224	3.1
327.12103	11.6
337.10660	9.4
339.12271	100.0
340.12625	5.7
341.13882	51.3
351.12274	19.7
353.13809	9.1
355.11542	2.6
357.13364	8.8
359.14612	2.6
363.12286	3.0
367.15762	2.1
369.13321	3.1
370.51495	2.2
383.14993	4.0
407.64185	2.5
517.18402	2.1
535.20496	2.3
566.20764	2.0
640.77026	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	762.491
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.3
56.05037	0.7
58.06364	0.3
58.06634	0.6
60.08163	6.5
60.73917	0.2
60.78694	0.2
67.05500	0.6
69.07050	0.2
69.74126	0.2
71.07373	3.3
71.51255	0.2
71.51609	0.2
79.05488	0.3
81.03427	0.5
81.07053	0.6
83.08636	0.2
86.09704	29.5
87.10034	0.5
91.05469	0.4
93.07053	0.4
95.08610	0.3
98.98464	2.8
104.10741	2.2
105.07053	0.3
107.08594	0.2
119.08620	0.2
124.99999	20.1
143.01070	0.3
154.67177	0.2
184.07335	100.0
185.07664	1.5
313.15594	0.2
337.27280	0.2
342.03342	0.2
399.41010	0.2
441.30560	0.2
540.85028	0.2
541.64905	0.2
712.45416	6.1
713.44745	0.5
763.41498	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.3
53.47664	1.3
56.96577	1.5
61.34344	1.4
67.05482	3.9
69.03436	6.7
69.72906	3.4
69.73330	5.5
70.06589	1.3
71.32156	1.3
77.03932	2.1
77.15936	1.5
79.05502	10.3
81.03413	4.5
81.07054	2.7
82.34534	1.2
85.02901	8.9
91.05473	4.8
93.07040	5.8
95.04973	74.7
97.02890	11.3
103.05477	12.3
105.07012	1.8
106.39384	1.6
107.04958	59.1
109.02881	29.1
109.06522	3.8
121.06503	14.0
123.04417	15.7
125.02353	31.2
125.06014	6.7
127.03926	4.5
129.03374	1.4
131.04973	8.4
133.02901	1.6
135.04434	8.1
145.04948	2.3
147.04405	4.1
149.05992	25.8
151.03908	100.0
152.04161	2.1
153.05461	10.2
159.04430	11.9
163.03876	3.3
165.05440	2.4
167.03342	2.2
167.07057	1.6
175.03905	1.5
177.00864	1.3
177.05479	38.6
189.05472	19.5
191.07033	10.4
195.06540	78.8
196.69609	1.5
201.67368	1.4
207.06523	2.5
209.08093	15.9
213.07579	16.4
221.08028	2.0
227.09145	6.2
245.10052	2.4
245.71655	1.4
271.71289	1.3
279.88992	1.2
295.08136	1.4
321.09619	2.6
339.10632	7.9
357.11789	10.4
383.25180	1.5
389.12473	1.6
403.13861	5.0
421.14847	3.2
543.07947	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00295	0.4
53.03939	2.8
55.01860	1.1
57.03409	0.5
65.03918	0.6
66.97951	0.4
67.05507	3.0
69.03429	3.4
70.74434	1.0
71.01369	0.4
71.04992	1.0
77.03917	0.5
79.05492	5.0
81.03413	3.4
81.07042	1.2
83.04995	0.8
84.04511	0.4
85.02895	3.0
91.05467	2.4
93.07031	3.9
95.01343	0.4
95.04961	66.2
96.05300	1.0
96.58045	0.4
97.02888	8.6
97.03526	0.5
99.04469	0.6
103.05455	5.5
105.03370	0.6
105.04511	1.6
105.07018	0.7
107.04948	34.3
109.02869	20.4
109.06515	1.6
111.04440	1.0
121.06504	8.0
123.00794	0.7
123.04420	15.5
123.36489	0.4
125.02345	29.9
125.05941	2.4
127.03901	3.0
131.04930	3.0
133.02847	0.7
135.04417	4.2
137.06000	0.7
139.02823	0.5
139.03889	10.8
145.04979	0.4
147.04398	0.8
149.02415	0.5
149.05965	12.1
151.03894	100.0
152.04216	1.5
153.05453	4.8
159.04405	5.5
161.02873	0.4
163.03891	1.3
165.05475	5.5
167.03391	11.6
167.07082	0.9
168.03694	0.4
169.04987	1.0
171.06468	0.6
175.03944	1.0
177.05463	20.9
181.04945	0.5
183.06412	0.5
185.04541	0.6
193.04919	2.9
195.06517	26.3
196.06802	0.5
211.05998	14.9
213.07549	1.0
225.07646	0.8
229.07036	11.0
243.08632	18.1
269.06439	0.4
279.08435	0.4
295.08224	2.6
321.09671	1.6
339.10754	2.7
399.12604	0.4
401.34039	0.3
405.13687	0.6
511.14557	2.8
535.43475	0.4
537.16022	32.0
538.16034	1.3
563.17365	0.6
585.25244	0.4
761.19580	0.6
763.77203	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.2
53.25204	0.5
55.01850	1.3
58.41151	0.5
67.05492	1.9
69.03105	0.5
69.03430	4.1
71.01340	1.3
71.04990	1.1
71.46970	1.1
75.05569	0.6
77.03899	1.5
79.05493	5.8
81.03402	3.6
81.07044	1.6
85.02880	3.9
91.05448	3.1
93.07053	3.0
95.04961	73.3
96.05251	0.6
97.02882	9.4
97.06535	0.9
103.05455	5.5
105.04524	0.9
105.07014	0.9
107.04948	41.8
109.02142	1.2
109.02873	21.2
109.06510	2.0
111.04455	1.4
119.04909	1.4
121.06496	9.4
123.04424	16.9
125.02344	24.6
125.05960	4.3
127.03966	2.8
131.04906	3.5
133.02831	1.7
135.04433	3.7
136.29439	0.7
137.05952	1.1
139.03897	0.6
145.04916	1.0
147.04410	1.1
149.05972	16.6
151.03894	100.0
152.04243	2.0
153.05467	9.1
154.05786	1.1
159.04437	2.8
161.05904	0.8
165.05472	19.4
166.05721	0.6
167.07037	3.1
175.03848	0.6
177.05461	23.6
183.06461	0.6
185.99736	0.6
189.05489	0.7
193.05031	3.9
195.06512	64.3
196.06822	1.3
207.06485	1.1
211.05992	2.6
213.07529	10.5
225.07532	7.1
227.09146	0.7
239.06938	0.7
243.08632	2.1
276.07587	0.7
295.08063	1.7
307.09402	0.7
321.09833	1.4
337.09427	0.6
339.10629	4.5
340.12347	1.6
352.12885	0.8
357.11755	4.6
368.99875	0.7
521.37726	0.6
539.82733	0.6
541.47375	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.0
55.01863	1.4
57.54097	0.5
64.20995	0.5
65.03934	1.0
65.48037	0.6
67.05499	1.8
69.03427	4.6
70.06596	1.1
71.01343	1.7
71.04996	1.0
71.51122	1.2
79.05484	5.7
79.36323	0.6
81.03417	4.3
81.07047	1.7
83.04968	0.9
85.02898	4.4
87.04453	0.6
89.56692	0.5
91.05478	4.2
93.07037	5.3
95.04963	74.2
96.05268	0.9
97.02887	9.8
97.06527	1.0
98.03240	0.8
99.04474	0.7
103.05446	4.9
105.03374	1.0
105.04507	1.6
105.07023	1.8
107.04951	40.3
108.05249	1.0
109.02871	24.8
109.06513	2.6
111.04434	0.9
113.02390	0.6
117.07012	0.8
119.04932	1.6
121.06497	9.4
123.04417	16.1
125.02347	24.8
125.06002	3.5
127.03903	4.1
131.04944	3.3
133.02831	1.8
133.06519	0.8
135.04420	4.6
137.05978	4.6
139.03873	0.8
141.05414	0.8
145.04944	1.0
147.04401	1.7
149.05972	16.0
151.03893	100.0
152.04277	1.8
153.05478	7.6
159.04388	2.2
161.05942	1.6
163.07507	0.7
163.11478	0.6
165.05470	19.3
166.05815	1.0
167.07085	4.3
175.03796	0.9
177.05460	25.2
178.05927	1.1
179.06976	0.7
181.04904	1.1
193.04997	4.4
195.06520	60.3
196.06813	1.4
207.06435	1.0
209.08109	1.9
211.06030	2.7
213.07556	11.3
225.07574	7.3
243.08685	2.0
263.09299	0.7
295.07983	1.1
321.09595	1.1
339.10764	4.2
341.11322	1.8
357.11862	4.4
404.21497	0.7
761.29712	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.0
55.01863	1.4
57.54097	0.5
64.20995	0.5
65.03934	1.0
65.48037	0.6
67.05499	1.8
69.03427	4.6
70.06596	1.1
71.01343	1.7
71.04996	1.0
71.51122	1.2
79.05484	5.7
79.36323	0.6
81.03417	4.3
81.07047	1.7
83.04968	0.9
85.02898	4.4
87.04453	0.6
89.56692	0.5
91.05478	4.2
93.07037	5.3
95.04963	74.2
96.05268	0.9
97.02887	9.8
97.06527	1.0
98.03240	0.8
99.04474	0.7
103.05446	4.9
105.03374	1.0
105.04507	1.6
105.07023	1.8
107.04951	40.3
108.05249	1.0
109.02871	24.8
109.06513	2.6
111.04434	0.9
113.02390	0.6
117.07012	0.8
119.04932	1.6
121.06497	9.4
123.04417	16.1
125.02347	24.8
125.06002	3.5
127.03903	4.1
131.04944	3.3
133.02831	1.8
133.06519	0.8
135.04420	4.6
137.05978	4.6
139.03873	0.8
141.05414	0.8
145.04944	1.0
147.04401	1.7
149.05972	16.0
151.03893	100.0
152.04277	1.8
153.05478	7.6
159.04388	2.2
161.05942	1.6
163.07507	0.7
163.11478	0.6
165.05470	19.3
166.05815	1.0
167.07085	4.3
175.03796	0.9
177.05460	25.2
178.05927	1.1
179.06976	0.7
181.04904	1.1
193.04997	4.4
195.06520	60.3
196.06813	1.4
207.06435	1.0
209.08109	1.9
211.06030	2.7
213.07556	11.3
225.07574	7.3
243.08685	2.0
263.09299	0.7
295.07983	1.1
321.09595	1.1
339.10764	4.2
341.11322	1.8
357.11862	4.4
404.21497	0.7
761.29712	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00318	0.5
53.03938	3.5
55.01868	1.3
56.20098	0.4
61.02955	0.4
65.03932	0.5
67.05508	3.2
69.03423	4.2
71.01353	0.5
71.05007	1.3
71.17200	0.7
71.17537	0.6
77.03905	0.9
79.05489	4.2
81.03411	3.8
81.07042	0.8
85.02901	2.8
91.05486	2.7
93.07043	4.0
95.04964	67.3
96.05285	0.8
97.02889	9.0
98.21553	0.5
99.04453	0.5
103.05466	6.4
105.03377	0.9
105.04510	1.9
107.04950	34.5
108.05238	0.8
108.96319	0.4
109.02871	17.7
109.06522	2.3
111.04473	0.5
121.06496	7.0
123.00790	1.2
123.04420	15.2
125.02349	40.2
125.05976	2.5
127.03886	2.3
131.04938	3.3
133.02876	1.1
135.04445	2.4
137.05969	1.8
139.03899	8.6
141.05472	1.6
142.70251	0.4
149.05972	12.7
151.03896	100.0
152.04231	1.9
153.05457	5.5
155.06990	0.9
159.04404	5.9
165.05467	5.9
167.03392	4.0
167.07056	0.4
169.04990	3.2
175.03911	0.9
177.05464	20.9
183.06566	1.0
193.04927	1.5
195.06528	28.4
196.06837	0.7
211.05998	28.4
212.06403	0.7
213.07603	1.3
225.07532	0.7
229.07071	7.7
243.08630	28.5
244.08965	0.8
295.08197	1.3
321.09616	0.9
339.10703	1.5
346.56235	0.5
405.13867	1.2
511.14822	2.9
537.16003	31.8
538.16156	1.6
656.04364	0.5
718.64252	0.5
739.14410	0.5
772.22321	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.9
55.01852	0.7
57.03439	0.5
59.04987	1.6
67.05485	1.1
69.03437	3.0
70.88420	1.6
71.04974	0.7
71.12885	0.5
73.02927	0.6
79.05493	4.8
80.05825	1.0
81.03413	8.3
81.07040	1.2
85.02905	7.5
91.05480	2.8
93.07034	1.5
95.04967	5.3
96.05273	0.9
97.02893	4.0
99.04405	0.5
103.03940	0.7
103.05464	3.1
105.07009	1.7
107.04211	1.1
107.04948	23.2
108.05270	3.9
109.02873	14.1
109.06515	0.9
110.03176	3.0
115.05441	5.4
117.07009	13.8
121.06488	2.4
122.06830	1.2
123.04451	2.9
124.05192	0.8
125.02379	1.1
125.05988	0.8
127.03896	2.0
128.06206	0.8
129.07018	2.8
130.04117	1.0
131.04903	1.5
131.08525	3.1
132.05544	0.5
133.06528	1.2
135.04381	0.7
137.05951	1.6
139.03893	6.6
140.04195	1.5
141.06918	0.9
143.04942	0.7
144.05675	2.3
144.06671	0.7
145.05054	1.2
145.06476	31.6
147.04407	0.5
147.08060	0.8
149.05969	4.3
150.06305	1.2
151.03860	4.9
152.04491	1.1
153.05420	1.5
155.04877	0.9
155.06001	3.7
156.05669	5.9
157.06360	1.3
159.04474	1.1
159.08089	4.4
161.04840	0.6
161.05977	3.3
162.07594	2.1
163.05850	0.6
165.05481	12.7
166.05795	4.6
167.07030	43.0
168.07372	2.4
169.07649	0.8
172.05139	1.0
173.05975	61.2
174.06348	1.7
175.03925	1.3
175.07538	1.7
176.91414	0.6
177.05455	13.6
178.05812	4.0
179.07004	0.6
180.08687	3.5
181.08609	0.8
183.06529	1.2
184.05176	1.6
185.05812	0.6
187.07547	6.2
190.06235	34.2
191.06961	1.6
192.07593	0.6
193.08586	1.9
195.06526	2.8
196.06873	1.2
202.06209	3.1
203.06995	6.3
205.08589	100.0
206.08929	3.1
207.06511	2.1
207.10147	1.0
209.08075	10.7
210.08472	3.2
215.07053	0.8
217.08586	41.3
218.08997	1.2
219.08231	1.1
219.10100	3.2
220.08774	0.8
223.09628	3.0
227.09157	1.6
228.09505	1.1
233.09665	0.8
235.09621	31.8
236.10074	1.0
247.07510	1.0
247.09676	6.8
248.08287	1.3
249.08936	1.0
251.10707	0.6
260.08350	0.7
263.10437	0.6
264.07742	1.2
265.10696	49.5
266.11060	1.1
269.08154	1.0
271.09671	1.3
276.07867	0.7
277.08392	0.7
279.10330	0.9
281.08081	0.7
290.09302	0.8
291.10080	1.6
293.08063	1.3
299.09100	1.4
307.09528	1.5
308.10406	1.4
309.11017	0.7
311.12723	0.8
315.08627	3.9
316.09467	0.8
319.09619	0.7
322.08456	0.7
323.12756	2.3
330.11026	5.9
331.11649	2.4
336.09949	0.9
337.10571	0.9
339.12054	0.9
343.11789	1.1
351.12329	3.4
368.12457	1.0
369.13275	0.7
371.14975	2.8
383.14926	12.7
384.15131	1.0
401.15952	17.4
402.16232	1.0
690.86047	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.2
55.01866	1.6
55.05511	1.9
57.03424	1.5
58.91824	0.8
59.05002	11.1
67.05499	6.3
69.03429	5.2
69.27161	8.3
69.27567	1.9
71.01354	4.1
71.04984	1.7
71.16199	0.8
74.77932	0.9
77.03905	1.0
79.05074	1.5
79.05492	20.0
79.63902	0.7
81.03414	9.6
81.07038	2.4
83.05001	1.6
85.02914	4.1
87.04449	0.9
91.05476	6.8
93.07047	9.3
95.04968	23.6
95.08621	1.2
97.02897	4.9
97.06518	1.0
103.03923	2.0
103.05468	11.7
105.03400	2.3
105.04488	1.6
105.07027	1.7
107.04955	100.0
109.02878	90.4
109.06526	7.1
111.04475	4.6
111.08055	0.9
121.06501	18.0
123.04446	7.8
125.02354	8.2
125.06007	0.9
127.03932	4.4
131.04933	7.8
133.02847	2.7
135.04395	6.9
137.05978	4.8
139.03900	45.7
139.07536	2.3
140.04329	0.9
141.05415	2.1
145.05000	1.5
145.06377	1.2
147.04352	1.7
149.02313	0.8
149.05980	28.8
151.03902	22.8
153.05518	4.1
158.73997	0.8
159.04396	6.0
161.06004	1.2
162.49718	0.8
165.05479	91.3
166.05809	1.1
167.07037	25.4
175.03961	1.2
177.05472	70.4
178.05846	1.2
179.07037	0.8
181.08617	1.3
187.07759	0.8
191.07011	4.5
195.06519	12.7
209.08089	73.6
227.09103	11.9
233.08046	1.0
269.10208	1.3
280.76273	0.9
287.05533	1.3
321.09705	2.2
339.10745	4.6
401.32562	0.9
545.36450	0.9
662.60327	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.2
55.01851	2.1
59.04996	9.5
67.05497	3.2
68.02657	0.8
68.66520	0.7
68.92956	0.9
69.03423	3.9
70.79649	1.4
70.80036	1.2
71.01345	3.1
71.04978	1.1
75.05416	0.7
77.03909	1.9
79.05494	17.7
81.03418	10.2
81.07057	1.6
82.37424	0.7
83.04963	2.9
85.02905	5.1
87.04446	0.9
91.05488	7.1
93.07047	8.6
95.01331	1.2
95.04967	22.4
95.05572	1.1
95.08627	1.4
96.59272	0.7
97.02894	6.1
97.06528	1.0
103.03947	2.0
103.05471	12.2
105.03386	2.2
105.04461	1.0
105.07034	1.5
107.04955	100.0
109.02879	80.4
109.06503	5.6
111.04443	3.5
119.04857	0.8
121.06506	16.8
123.04419	7.0
125.02348	9.0
125.06010	1.5
127.03909	4.7
131.04945	5.4
133.02863	2.7
135.04384	5.6
137.05983	2.8
139.03900	41.4
139.07518	2.7
141.05452	1.6
145.04932	2.0
149.01315	0.7
149.05988	27.9
151.03902	24.0
152.04271	0.8
153.05449	3.0
159.04436	5.2
165.05475	95.5
166.05794	0.9
167.03365	0.9
167.07025	21.1
177.05466	73.4
181.08614	1.8
183.06540	0.8
191.06935	3.8
195.06520	15.0
209.08090	73.1
210.08383	0.8
213.51913	0.7
227.09125	13.3
269.06543	0.8
295.07986	2.1
301.09158	0.9
303.08566	0.7
321.09561	1.0
321.99292	0.9
339.10794	3.4
371.13452	1.2
547.18134	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.4
55.01864	2.3
55.05508	1.1
57.03439	1.0
59.05003	9.7
61.02926	0.6
63.44105	0.4
65.03944	1.0
67.05511	5.7
68.02636	0.8
69.03437	5.8
69.07071	0.7
70.73669	1.4
71.01357	3.9
71.04988	2.0
73.02908	0.9
77.03937	1.4
79.05495	18.7
81.03414	10.4
81.07066	2.9
83.01347	0.8
83.04975	3.6
85.02909	5.3
86.09722	0.5
87.04488	0.9
90.45966	0.5
91.05473	7.7
93.07045	8.1
94.04195	0.9
95.01353	1.1
95.04971	25.4
95.08611	1.9
97.02884	4.7
97.06521	1.5
99.04490	0.9
103.03973	1.6
103.05475	10.7
103.14913	0.4
105.03390	1.4
105.04532	1.6
105.07018	1.6
105.42320	0.4
107.04958	100.0
108.05297	1.3
109.02882	89.2
109.06513	6.6
109.07203	0.9
110.03215	1.1
110.10533	0.5
111.04425	4.7
111.08070	0.9
112.91916	0.6
115.05501	0.5
117.07059	0.8
119.04957	1.0
121.02905	0.6
121.06511	19.2
121.07389	1.0
122.03610	0.6
123.00852	0.6
123.04424	9.0
125.02351	7.8
125.05986	1.9
127.03945	3.4
129.07013	0.5
131.04926	8.0
131.08591	0.5
133.02911	2.8
133.06541	1.0
135.04413	6.1
137.05991	6.9
139.03905	43.4
139.07475	2.6
140.04260	0.7
141.05482	1.1
145.04950	0.9
147.04395	1.9
148.05202	0.5
149.02290	1.1
149.05984	29.6
151.03908	27.0
151.05151	1.0
151.07462	0.6
153.05478	4.1
153.06712	0.8
157.04913	0.6
159.04439	6.1
161.05965	1.3
163.03894	1.0
163.07567	1.3
165.05481	95.9
166.05798	1.9
167.03374	0.9
167.07040	27.6
173.05930	0.8
177.05478	76.0
178.05820	2.3
179.07068	1.2
181.04916	1.8
181.08562	2.1
183.06549	0.8
184.07323	3.6
187.07451	0.6
189.05466	0.6
191.07076	4.1
195.06538	15.9
195.08295	1.1
209.08095	75.2
210.08470	2.2
215.07104	0.5
217.08640	0.5
217.63893	0.4
227.09122	12.6
251.05574	0.7
268.95264	0.5
269.10153	1.1
271.05927	3.0
295.08005	1.0
301.09000	0.6
317.77380	0.5
321.09616	1.7
339.10690	5.0
353.12228	0.7
363.90149	0.5
371.13367	1.1
396.52112	0.5
521.16748	0.9
522.35651	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.5531
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.2
55.05504	0.5
56.05030	0.8
57.07066	0.3
58.06357	0.3
58.06630	0.5
60.08163	5.5
67.05500	0.7
69.07076	0.2
69.46873	0.5
69.47301	1.1
71.07374	2.8
75.92410	0.2
78.21625	0.2
79.05493	0.5
81.07059	0.5
83.08595	0.2
85.18205	0.2
86.09702	26.7
87.10034	0.2
91.05518	0.2
93.07043	0.3
95.08610	0.5
98.98459	3.4
104.10757	1.8
105.06981	0.3
107.08570	0.3
109.10133	0.2
121.56786	0.2
122.60329	0.2
124.99996	19.4
143.01025	0.3
162.37755	0.2
167.55067	0.2
184.07330	100.0
185.07698	1.0
185.09261	0.2
228.03526	0.2
228.94960	0.2
242.16916	0.2
274.30817	0.2
275.20001	0.3
311.25769	0.4
381.76123	0.2
412.97101	0.2
436.57330	0.2
584.43817	0.4
585.45325	1.4
643.93555	0.3
756.55829	1.8
778.09894	0.2
781.45264	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.5527
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.3
56.05017	0.9
58.06604	0.3
60.08162	6.9
67.05489	0.3
70.72975	0.7
71.07371	3.6
73.03804	0.3
79.05469	0.4
86.09703	31.2
93.07034	0.4
95.08604	0.6
97.83886	0.3
98.21126	0.4
98.89732	0.3
98.98467	3.3
101.12490	0.3
104.10738	1.9
107.08581	0.3
119.08537	0.3
121.81265	0.3
124.99998	22.8
133.10072	0.3
143.01013	0.5
144.52162	0.3
184.07333	100.0
185.07648	1.0
207.61163	0.3
236.74847	0.3
337.57233	0.3
446.25964	0.3
460.17178	0.3
584.43750	0.4
585.44824	0.6
756.55164	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.553
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05034	0.5
58.06633	0.4
59.07405	0.2
60.08164	5.2
66.80660	0.1
67.05505	0.2
71.07372	2.7
71.37991	0.1
76.79671	0.1
79.05495	0.2
81.07037	0.2
85.14755	0.1
86.09704	27.1
87.10043	0.3
88.13486	0.1
91.05469	0.1
93.07023	0.1
93.65144	0.1
95.08593	0.2
95.40643	0.1
98.97869	0.2
98.98468	2.6
104.10734	1.9
118.37424	0.1
125.00000	18.5
143.01031	0.3
165.21371	0.1
166.02654	0.2
184.07336	100.0
185.07687	0.9
199.00436	0.1
229.72966	0.1
292.99170	0.1
496.33752	0.2
500.30313	0.2
756.42670	0.2
756.55151	2.1
757.55255	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	10.2
55.01874	7.3
55.05500	1.6
57.03418	3.9
61.02900	2.2
65.03930	12.9
65.61674	1.0
67.05488	4.7
69.03424	43.2
70.80606	3.2
71.01350	3.4
71.04982	7.8
73.02905	5.6
79.05492	13.1
81.03413	51.8
81.07052	5.7
83.01320	2.6
83.04962	5.8
83.24533	1.2
85.02900	24.9
86.09631	1.1
87.04441	2.9
91.05472	25.3
93.03395	11.7
93.07030	17.4
94.04167	5.5
95.01342	1.0
95.04961	80.2
95.08543	1.2
97.02886	48.3
97.06512	1.9
99.04442	19.3
101.02377	1.5
103.03966	1.5
103.05467	14.6
105.03362	1.6
105.04503	2.0
105.07014	10.8
107.04948	44.2
107.08600	5.0
108.04508	1.6
109.02871	100.0
109.06503	14.8
111.04431	16.1
115.05438	20.9
116.06263	1.6
117.07008	66.2
119.04954	2.6
119.06079	1.1
119.08553	2.8
121.02856	97.2
121.06493	29.1
123.04424	34.1
123.08055	2.5
125.02341	17.9
125.05978	1.0
127.03908	66.6
127.05405	2.3
128.06204	3.6
129.06978	8.2
131.04919	20.7
131.08572	1.2
132.05678	1.3
133.02812	1.9
133.06479	8.8
135.04404	6.1
135.08047	18.1
137.05951	3.4
138.57468	1.1
139.03893	77.6
141.05453	1.3
141.06950	1.0
143.03421	1.1
143.04889	1.3
144.05638	2.0
145.04985	7.2
145.06471	86.1
146.06821	2.4
147.04416	6.4
147.08072	5.6
148.05055	1.7
149.02322	41.7
149.05965	25.6
149.11732	1.2
151.03897	11.9
153.05463	22.2
153.06790	1.5
155.04893	3.9
155.06023	8.9
157.06447	3.9
159.04413	30.6
161.05998	8.9
163.03885	3.5
163.07527	41.7
165.05511	10.7
165.06802	2.0
167.03386	27.7
167.07036	7.9
171.04393	2.3
173.05971	97.2
174.06354	1.2
175.03903	14.2
175.07475	6.8
177.05444	13.6
177.09067	2.4
179.03413	1.8
179.07010	1.8
179.08432	1.1
181.04955	17.7
183.04471	1.2
184.07286	1.5
185.04446	12.2
185.05957	1.3
187.03734	1.7
187.06009	1.6
187.07564	3.2
189.05424	6.9
191.07016	84.7
192.07373	1.5
193.04903	2.0
193.08643	1.2
199.05972	17.3
199.07596	1.8
201.05435	17.9
203.06998	2.5
205.08569	15.3
209.04414	1.4
209.08098	6.2
211.07469	2.1
215.07045	1.9
215.88725	1.2
217.04965	3.2
219.06499	67.3
220.06760	1.2
221.04497	2.1
223.09576	14.0
225.09122	1.3
229.05022	1.8
231.06546	2.1
233.08072	5.5
235.05785	2.5
237.07549	89.2
238.07840	1.8
239.07224	1.3
243.06343	1.3
247.05865	1.6
249.07559	1.2
251.09143	15.8
253.08861	1.1
255.08566	15.6
259.05908	1.6
261.07617	1.2
269.10199	12.1
271.08060	1.9
273.07458	1.3
275.05573	4.0
275.08920	1.9
277.07056	1.3
279.08585	2.9
281.07983	2.4
283.15540	1.1
291.08572	4.8
293.06525	10.3
293.10104	3.2
299.09076	3.0
307.08075	5.9
309.10095	2.1
311.07648	19.1
311.11282	3.5
317.10040	2.2
325.09161	18.5
327.08606	7.8
329.08984	2.8
343.10220	14.6
345.09637	28.7
359.11166	6.7
363.10721	45.2
377.12329	22.9
381.11746	56.2
382.12384	1.2
395.13345	14.5
413.14163	2.9
437.10037	1.4
507.14923	1.6
525.15778	4.2
543.16882	2.0
553.64337	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80213	0.8
54.10864	0.7
56.96552	2.7
69.03421	1.5
71.49481	0.9
77.00914	2.1
79.84138	0.9
81.03417	2.1
82.99883	1.9
85.02903	4.3
89.09023	0.9
91.05454	0.9
95.01961	1.7
95.93808	0.7
97.02883	3.0
98.97578	4.6
101.00864	8.4
105.07018	1.3
107.04942	5.7
110.97633	1.0
113.00807	1.7
116.98630	3.3
119.01913	25.7
119.68034	0.7
127.02448	1.1
127.03916	2.1
128.98601	1.9
129.04010	1.6
131.01881	7.3
131.04913	1.4
133.03447	1.3
137.00912	0.8
137.02008	1.2
137.02968	4.8
137.05945	1.3
139.02396	1.2
142.03508	1.2
143.00146	1.3
143.01878	24.4
144.01866	0.9
145.03462	10.4
145.04987	1.9
146.99593	1.1
147.01379	1.5
147.05170	1.4
149.02927	1.6
149.05983	2.1
153.03972	1.0
155.01888	12.9
155.05501	1.2
155.64821	0.8
157.03479	5.7
158.99710	2.6
161.02948	37.9
162.03079	1.2
163.02536	0.7
163.04620	1.5
163.06035	1.7
167.01880	4.9
167.05612	0.7
169.03456	2.3
170.99663	1.5
171.05022	7.5
173.01454	1.3
173.02957	20.1
173.04359	1.6
173.06590	1.0
175.04570	2.6
177.00755	1.8
177.02371	0.9
179.01872	3.3
179.05522	1.0
181.03433	4.8
181.07098	3.6
183.01433	1.0
183.05048	3.4
184.04570	2.6
185.02937	23.8
185.06615	1.3
187.04539	2.9
189.00737	1.3
189.04062	2.1
189.06017	1.0
191.03976	1.3
195.03368	1.4
195.04997	1.8
197.02945	22.8
197.06624	3.5
198.03156	1.0
199.04550	3.2
199.08134	3.7
201.00735	3.5
203.03952	10.5
205.03403	0.9
205.07126	1.1
207.01453	3.6
207.05029	19.8
208.04771	0.9
209.02939	8.9
211.04498	1.8
213.02510	1.0
213.04314	2.0
213.06151	1.5
215.04036	8.1
219.01735	5.6
219.04961	1.1
221.04910	4.9
223.00897	3.9
223.04546	2.9
223.08096	4.7
225.02472	1.5
225.06046	17.2
227.03925	8.1
231.05167	1.5
233.02940	42.0
234.03081	2.2
237.02861	3.2
237.06149	1.7
241.01912	16.3
242.02081	1.1
243.01811	1.1
245.05066	43.1
246.05307	2.4
249.06143	10.7
251.04007	51.1
252.04317	2.7
255.07188	2.3
257.05035	3.5
259.02985	1.3
261.02768	2.7
263.06204	6.8
267.07120	11.1
268.07260	1.0
269.03201	3.7
269.05304	3.6
273.08130	4.0
274.05664	2.6
275.03616	1.6
275.06424	4.2
279.03802	1.1
281.04819	1.5
283.03259	1.3
284.06754	1.3
285.08197	2.0
286.07730	0.8
287.04184	7.4
290.08792	0.9
293.05011	25.3
294.05112	1.5
299.06091	6.9
305.07370	5.1
309.04520	1.5
309.08282	1.9
311.06268	70.5
312.06400	3.8
321.05276	1.0
325.04163	2.0
329.06393	3.4
333.05322	2.3
334.07748	6.1
335.08041	1.7
341.07227	1.1
351.09250	1.4
353.07190	14.1
365.09207	3.3
369.10281	4.2
371.08292	3.8
381.07538	1.1
395.08154	2.2
413.09186	40.5
414.09366	2.0
415.54819	0.9
431.10315	76.8
432.10352	3.8
445.11975	1.0
454.11960	6.7
455.10388	1.8
473.11371	100.0
474.11768	7.3
485.11368	6.6
497.11630	1.7
503.12271	7.2
509.11472	1.0
515.12390	1.1
517.14569	0.9
525.41168	1.0
533.13037	3.7
545.13354	1.3
551.14465	1.4
553.45117	0.9
557.13281	2.8
575.14410	20.6
576.14520	1.5
593.15771	7.5
755.20190	13.7
756.20001	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80213	0.8
54.10864	0.7
56.96552	2.7
69.03421	1.5
71.49481	0.9
77.00914	2.1
79.84138	0.9
81.03417	2.1
82.99883	1.9
85.02903	4.3
89.09023	0.9
91.05454	0.9
95.01961	1.7
95.93808	0.7
97.02883	3.0
98.97578	4.6
101.00864	8.4
105.07018	1.3
107.04942	5.7
110.97633	1.0
113.00807	1.7
116.98630	3.3
119.01913	25.7
119.68034	0.7
127.02448	1.1
127.03916	2.1
128.98601	1.9
129.04010	1.6
131.01881	7.3
131.04913	1.4
133.03447	1.3
137.00912	0.8
137.02008	1.2
137.02968	4.8
137.05945	1.3
139.02396	1.2
142.03508	1.2
143.00146	1.3
143.01878	24.4
144.01866	0.9
145.03462	10.4
145.04987	1.9
146.99593	1.1
147.01379	1.5
147.05170	1.4
149.02927	1.6
149.05983	2.1
153.03972	1.0
155.01888	12.9
155.05501	1.2
155.64821	0.8
157.03479	5.7
158.99710	2.6
161.02948	37.9
162.03079	1.2
163.02536	0.7
163.04620	1.5
163.06035	1.7
167.01880	4.9
167.05612	0.7
169.03456	2.3
170.99663	1.5
171.05022	7.5
173.01454	1.3
173.02957	20.1
173.04359	1.6
173.06590	1.0
175.04570	2.6
177.00755	1.8
177.02371	0.9
179.01872	3.3
179.05522	1.0
181.03433	4.8
181.07098	3.6
183.01433	1.0
183.05048	3.4
184.04570	2.6
185.02937	23.8
185.06615	1.3
187.04539	2.9
189.00737	1.3
189.04062	2.1
189.06017	1.0
191.03976	1.3
195.03368	1.4
195.04997	1.8
197.02945	22.8
197.06624	3.5
198.03156	1.0
199.04550	3.2
199.08134	3.7
201.00735	3.5
203.03952	10.5
205.03403	0.9
205.07126	1.1
207.01453	3.6
207.05029	19.8
208.04771	0.9
209.02939	8.9
211.04498	1.8
213.02510	1.0
213.04314	2.0
213.06151	1.5
215.04036	8.1
219.01735	5.6
219.04961	1.1
221.04910	4.9
223.00897	3.9
223.04546	2.9
223.08096	4.7
225.02472	1.5
225.06046	17.2
227.03925	8.1
231.05167	1.5
233.02940	42.0
234.03081	2.2
237.02861	3.2
237.06149	1.7
241.01912	16.3
242.02081	1.1
243.01811	1.1
245.05066	43.1
246.05307	2.4
249.06143	10.7
251.04007	51.1
252.04317	2.7
255.07188	2.3
257.05035	3.5
259.02985	1.3
261.02768	2.7
263.06204	6.8
267.07120	11.1
268.07260	1.0
269.03201	3.7
269.05304	3.6
273.08130	4.0
274.05664	2.6
275.03616	1.6
275.06424	4.2
279.03802	1.1
281.04819	1.5
283.03259	1.3
284.06754	1.3
285.08197	2.0
286.07730	0.8
287.04184	7.4
290.08792	0.9
293.05011	25.3
294.05112	1.5
299.06091	6.9
305.07370	5.1
309.04520	1.5
309.08282	1.9
311.06268	70.5
312.06400	3.8
321.05276	1.0
325.04163	2.0
329.06393	3.4
333.05322	2.3
334.07748	6.1
335.08041	1.7
341.07227	1.1
351.09250	1.4
353.07190	14.1
365.09207	3.3
369.10281	4.2
371.08292	3.8
381.07538	1.1
395.08154	2.2
413.09186	40.5
414.09366	2.0
415.54819	0.9
431.10315	76.8
432.10352	3.8
445.11975	1.0
454.11960	6.7
455.10388	1.8
473.11371	100.0
474.11768	7.3
485.11368	6.6
497.11630	1.7
503.12271	7.2
509.11472	1.0
515.12390	1.1
517.14569	0.9
525.41168	1.0
533.13037	3.7
545.13354	1.3
551.14465	1.4
553.45117	0.9
557.13281	2.8
575.14410	20.6
576.14520	1.5
593.15771	7.5
755.20190	13.7
756.20001	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.4856
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.3
56.05030	0.4
57.07067	0.2
58.06365	0.2
58.06614	0.5
59.07387	0.2
60.08158	6.2
61.12411	0.1
66.03980	0.1
66.22135	0.1
67.05498	0.9
70.97153	0.4
71.07364	3.5
71.08611	0.2
73.54079	0.1
75.75429	0.1
77.75532	0.1
79.05482	0.5
79.23552	0.1
81.07049	0.5
86.09698	30.5
87.10036	0.4
91.05486	0.3
93.07036	0.5
95.04951	0.2
95.08604	0.4
97.06540	0.1
98.98452	3.1
104.10737	2.1
107.08571	0.2
109.10165	0.5
121.10204	0.2
124.99990	19.5
131.08626	0.2
143.01004	0.3
159.11606	0.2
172.88365	0.1
184.07324	100.0
185.07729	1.1
223.13319	0.3
229.14241	0.2
297.16879	0.4
335.25720	0.5
433.73795	0.1
440.35739	0.2
496.33771	0.2
573.08136	0.2
613.46893	0.2
650.43848	8.2
651.43988	0.5
736.46698	0.2
754.36023	0.2
754.48547	3.5
755.48169	0.3
773.02448	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	754.4852
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05484	0.2
56.05018	0.6
57.07064	0.3
58.06362	0.2
58.06617	0.5
59.07388	0.3
60.08160	5.4
67.05495	0.4
69.29097	1.3
71.07368	2.4
71.08636	0.1
80.76117	0.2
81.07047	0.3
86.09700	27.0
87.10033	0.3
91.05460	0.1
95.08607	0.2
96.01572	0.1
98.98454	2.4
99.94228	0.1
104.10744	2.1
107.08542	0.2
109.10169	0.2
124.99997	16.8
143.76868	0.1
177.69203	0.1
184.07330	100.0
185.07712	1.0
222.08873	0.2
264.67532	0.1
275.11554	0.1
281.87244	0.1
496.33707	0.2
650.43903	8.2
651.44470	0.5
703.54749	0.2
754.48529	5.0
755.49091	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	750.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.6
55.05500	0.8
57.03429	1.1
65.03936	1.2
69.03409	1.1
69.07037	0.5
69.34191	4.3
71.01325	0.6
71.04992	7.4
75.04449	0.6
79.05491	1.2
83.04967	1.4
85.02908	10.4
91.05490	2.2
92.69893	0.4
93.07018	0.5
95.04968	1.9
96.61525	0.5
97.06531	0.4
98.21635	0.5
101.06042	0.4
103.05466	1.0
105.07024	1.1
107.04971	1.9
110.03687	0.6
111.04432	2.5
112.81479	0.6
115.05421	0.6
117.07000	0.6
119.04940	1.6
121.02898	1.1
121.06506	1.3
122.03658	0.6
123.04439	0.9
125.05978	1.3
128.06221	0.7
129.05473	1.5
129.06998	0.9
131.04944	2.0
131.08585	0.6
133.02856	1.4
133.08553	0.5
135.04387	0.9
135.08046	1.3
137.05972	6.6
144.05638	0.7
145.06479	1.5
147.04419	1.7
147.06558	0.4
147.08009	0.7
149.05972	1.5
151.03891	1.1
151.07484	2.3
153.05501	2.3
157.06488	1.1
159.08041	2.5
161.05980	3.6
161.09563	1.3
163.07542	3.1
165.05470	1.0
165.09093	0.8
167.07040	10.8
167.08432	0.8
174.06744	0.9
175.07585	2.3
177.05464	1.3
177.09102	4.9
179.07036	1.0
181.04959	9.4
181.06508	0.7
181.08604	4.1
182.58426	0.4
183.08168	0.8
187.07532	1.4
189.05473	0.7
189.09135	3.7
191.07019	1.9
193.08632	3.7
193.10175	0.9
195.08061	1.5
195.10228	0.6
196.08722	0.6
197.09625	1.0
203.06995	0.6
205.06721	0.6
205.08589	1.0
207.08221	0.9
207.10225	1.3
210.06773	0.9
211.07472	0.8
212.08357	0.6
217.08563	0.7
219.08087	1.0
219.10036	1.0
220.08783	0.7
221.09586	3.6
221.11731	1.4
222.06764	0.6
222.10292	0.6
223.07553	1.7
224.08339	1.2
225.09096	1.4
227.10681	0.7
229.08495	0.6
234.06816	1.2
235.07440	1.2
237.09126	1.9
238.09836	2.4
239.07021	1.2
240.07762	1.2
241.08627	1.0
249.09152	2.3
250.09853	0.6
251.07013	1.8
251.10707	0.5
252.07782	1.7
253.08600	3.5
253.12267	1.4
254.09358	0.6
255.06487	0.8
255.10173	1.6
257.08105	1.2
257.11774	0.9
259.09659	0.6
264.07867	0.6
265.08545	2.5
266.09479	2.7
267.10132	2.3
268.07227	1.1
269.08078	2.3
270.08896	0.8
272.10553	0.6
279.10086	0.8
281.08066	2.1
281.11707	2.7
283.09677	5.1
284.10376	0.9
285.07602	1.0
285.11197	1.8
293.11642	0.5
294.08856	0.7
295.09430	0.7
297.07501	1.9
297.11197	1.5
298.08426	3.2
298.11630	0.7
299.09445	0.8
299.12805	1.7
300.09906	8.6
309.11160	1.8
311.09055	0.8
311.12695	1.2
312.09778	0.8
313.10690	32.9
313.14365	22.1
314.11197	1.0
314.14465	0.8
315.12213	1.0
317.13583	1.1
325.10635	0.9
326.11609	2.6
327.12192	5.7
331.15390	7.7
339.12296	2.1
340.13092	0.6
341.13834	18.3
343.15411	2.1
353.13831	1.4
359.14883	100.0
360.15329	3.5
361.16458	20.4
362.16949	0.8
371.14832	5.8
373.16479	1.3
383.15021	0.6
385.16483	1.4
390.87021	0.6
397.16425	1.2
401.15894	1.1
439.32874	0.8
463.99313	0.6
473.17709	0.7
505.20795	8.0
509.21674	0.7
517.20874	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	750.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.9
55.01879	1.0
57.03411	1.2
57.26679	0.9
67.05486	1.0
69.03416	2.0
70.06576	1.6
71.04996	7.9
71.51187	1.4
79.05479	1.1
81.03401	1.1
82.74796	0.7
83.04942	1.6
84.08130	0.8
85.02895	11.5
86.09697	1.4
91.05467	2.4
93.07048	0.8
93.47563	0.7
95.04960	2.0
103.05470	2.0
105.07040	1.7
107.04958	3.3
109.06515	1.0
111.04432	2.1
115.05445	1.2
119.04936	1.1
121.06460	0.9
123.04455	1.6
125.06003	2.4
129.05502	1.1
131.04932	2.3
131.08539	1.3
133.02890	1.6
133.06447	1.1
135.08029	2.3
137.05960	8.4
137.09605	1.1
145.06554	1.1
147.04364	2.0
149.05988	1.9
151.03888	1.2
151.07594	4.1
153.05449	2.8
157.06464	1.8
159.04376	0.9
159.08037	1.7
161.05997	4.0
161.09589	1.1
163.03879	1.8
163.07579	4.0
165.05525	1.5
165.06978	0.8
165.09210	1.0
167.07037	14.7
167.08476	1.6
173.05865	1.1
174.06604	0.9
175.07553	3.3
177.05516	2.2
177.09103	6.2
179.07004	1.6
181.04958	10.7
181.06377	1.2
181.08618	5.9
187.07494	1.1
189.09085	4.3
191.06972	2.6
193.08636	3.7
195.08070	1.7
195.10080	0.9
197.09692	1.0
203.07054	1.0
210.06717	0.9
211.07570	1.6
217.08516	1.2
219.07893	0.8
221.09654	1.9
221.11678	1.4
222.10339	0.9
223.07556	1.7
225.09106	2.2
227.06932	1.0
237.09033	2.2
238.09749	2.3
239.06990	1.1
240.07964	1.3
248.08392	1.1
249.09157	2.1
251.07066	2.1
252.07765	1.3
253.08617	4.5
253.12273	1.6
254.09167	0.8
255.10245	2.1
257.08191	1.3
265.08557	2.1
266.09213	2.0
267.10199	2.7
269.08017	1.5
280.07104	0.7
281.08130	1.8
281.11716	3.3
282.12418	0.9
283.09778	4.2
284.10275	1.1
285.07727	1.2
285.11133	2.1
294.08954	0.9
295.09460	1.8
297.07748	1.4
297.11148	1.5
298.08371	3.3
298.11667	1.6
299.09119	0.8
299.12589	1.7
300.09885	8.6
301.10446	0.9
309.11270	2.5
310.11816	1.3
311.12610	1.0
313.10687	38.3
313.14359	27.9
314.11163	1.7
314.14664	1.3
317.13742	2.1
326.11554	3.1
327.12250	5.5
328.12976	1.1
331.15326	9.5
339.12192	2.3
341.13763	21.3
343.15393	2.1
353.13684	1.4
359.14865	100.0
360.15332	4.2
361.16440	22.4
361.20944	1.1
362.16748	1.2
371.14948	5.7
372.15530	1.0
373.16394	1.8
385.16461	1.5
505.20618	7.7
509.22031	0.8
517.19519	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.4134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	7.5
55.01864	6.7
55.05508	20.9
55.14314	2.5
57.03439	17.3
57.07074	49.5
65.03919	2.9
67.05499	35.9
69.03422	6.7
69.07059	14.2
69.18615	24.5
69.19033	6.2
71.04996	4.4
71.08636	33.3
78.63163	2.4
79.05499	22.1
81.03416	91.3
81.07052	37.7
83.04973	15.1
83.08617	35.4
85.02885	11.2
85.10172	16.6
86.09705	6.0
87.46963	2.6
91.05479	26.7
93.07028	17.9
94.06418	2.6
95.04960	30.4
95.08076	2.7
95.08609	31.5
97.02876	4.1
97.06511	6.1
97.10181	10.1
98.98460	4.0
99.04433	4.7
105.07028	21.3
106.26682	2.3
107.04949	10.6
107.08576	10.1
109.02899	15.9
109.06502	3.5
109.10174	16.8
110.03639	6.1
111.04433	10.9
111.08061	10.6
114.93703	2.3
115.05489	3.2
119.08592	14.6
121.06509	3.3
121.10150	13.3
123.04416	4.4
123.11687	7.1
125.00012	3.7
127.03876	3.7
128.14577	2.6
129.06981	8.0
131.08562	10.4
133.10118	10.6
135.11714	3.3
147.04398	4.9
147.08031	3.4
147.11646	14.4
149.09599	6.0
157.10130	14.5
165.12743	3.7
175.11143	13.5
182.85165	2.5
184.07353	16.9
191.00085	4.5
193.12234	46.0
211.13280	43.8
227.12816	4.3
235.13327	7.2
239.23727	12.1
249.14871	4.0
267.15878	56.3
285.16843	9.6
313.27344	100.0
401.12662	3.0
419.14444	3.1
493.17706	15.5
505.38794	44.5
523.39880	39.7
539.28430	4.8
676.04865	3.7
683.46466	2.8
749.41229	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	749.2464
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.4
54.39775	1.4
67.05492	1.6
79.05493	12.7
79.13742	1.4
81.03416	4.1
81.04647	1.4
81.07058	2.7
85.02898	4.3
91.05470	3.1
93.07036	3.2
95.01282	1.5
95.04964	38.2
96.05278	4.0
97.02886	4.5
97.06506	2.1
98.21555	2.8
103.05458	5.5
107.04953	98.5
108.05291	3.7
109.02878	19.0
109.06503	1.7
110.03202	2.0
121.06521	8.1
123.04424	10.9
125.02354	19.1
125.05993	5.9
133.02850	5.4
135.04361	2.8
137.24062	1.4
144.67581	1.6
149.05981	14.8
151.03893	100.0
152.04231	10.0
153.05460	13.1
159.04419	2.7
177.05460	21.3
178.05820	3.4
195.06522	49.8
196.06921	8.5
196.08429	1.5
206.56322	1.4
213.07562	57.9
213.09572	3.3
214.07893	3.0
315.61847	1.4
331.29123	1.5
350.79285	1.4
357.11786	2.7
358.12097	2.2
442.90747	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.4285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.6
55.05505	2.0
57.03425	1.3
57.07066	0.8
60.08166	1.4
61.02925	6.5
67.05505	6.8
69.03423	3.5
69.07069	1.9
71.07367	1.3
73.02925	4.2
79.05467	4.8
81.03407	3.9
81.07063	5.7
83.08652	1.0
85.02911	6.7
86.09702	7.9
91.03970	3.9
91.05491	3.1
93.07031	4.7
95.04962	1.5
95.08587	4.5
97.02883	5.1
99.04420	1.0
101.02373	2.7
105.07031	2.8
107.04960	1.4
107.08594	2.3
109.10162	2.0
110.06051	0.7
119.08605	1.5
121.10161	2.2
123.73352	0.9
124.99984	4.2
127.03923	1.1
131.08618	1.6
133.10139	1.9
135.11696	1.4
159.11731	0.8
184.07336	29.1
185.07683	3.6
193.12300	1.3
204.89830	0.8
231.06473	1.0
243.08490	1.7
251.12521	0.9
254.20769	0.7
412.15121	1.2
415.54562	0.8
469.20322	4.7
519.29340	8.4
747.42889	100.0
748.42975	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	748.5118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00311	2.1
53.03939	4.5
53.50748	1.8
55.01871	6.4
55.05509	27.0
57.03439	3.6
57.07077	61.8
62.06085	3.6
65.03934	3.0
67.05507	66.7
69.07065	24.3
69.94010	8.9
71.04985	2.6
71.08635	56.2
79.05030	2.2
79.05488	32.7
80.05005	4.8
81.03423	5.5
81.07059	72.2
82.06590	5.0
83.04979	9.3
83.08614	23.4
84.08183	2.3
85.06559	2.6
85.10177	23.0
86.09710	3.2
86.63177	1.5
87.53869	2.0
90.21571	2.0
91.05481	32.5
93.07050	43.1
94.06542	1.8
94.63287	1.8
95.04986	8.9
95.08611	54.8
96.08075	1.9
97.06541	4.5
97.10177	8.7
98.21490	2.5
98.98463	8.5
99.08084	15.6
102.98659	1.7
105.07038	23.2
107.04978	4.0
107.08592	16.9
109.06567	2.5
109.10156	22.1
111.08096	4.3
111.11676	2.5
113.09640	3.5
117.07033	8.2
119.08602	10.8
121.10154	9.6
121.27179	1.9
123.11738	10.0
124.01586	2.4
125.00098	2.6
126.12743	2.7
129.06998	4.6
131.08577	10.1
133.10106	9.9
135.11699	10.1
137.09656	2.5
137.13214	1.9
143.08578	3.3
145.10150	5.2
147.11661	7.9
149.13281	8.0
151.11208	16.8
155.01054	4.0
157.10124	3.9
159.11736	7.6
159.33580	2.0
161.13246	8.9
163.11179	11.9
163.14922	2.1
171.11691	2.5
177.12738	4.5
179.14322	9.3
184.07341	8.4
195.13847	4.2
195.59288	1.8
220.16939	15.3
232.38181	1.7
238.18010	7.9
239.23694	6.9
241.19469	4.1
251.16544	4.2
259.20538	3.9
269.17490	2.8
270.34650	1.8
277.10635	2.3
277.21613	14.5
282.27933	7.6
294.20523	2.4
313.27390	33.9
318.14691	6.5
320.25769	7.4
333.24472	3.1
351.25308	8.0
374.17407	3.5
392.18265	8.5
393.23828	1.8
474.26019	4.3
491.40817	2.6
493.39307	2.9
507.40451	100.0
508.40771	4.0
513.04358	2.1
561.48718	2.1
571.47229	16.9
589.48273	97.8
590.48651	4.3
607.49225	16.0
630.41254	37.7
712.49231	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	747.429
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.8
55.05525	1.8
57.03438	1.9
57.07085	1.0
59.30313	0.6
61.02657	0.8
61.02929	4.6
65.03950	0.7
67.05511	4.4
69.03424	3.4
69.07086	1.1
71.52547	1.2
73.02914	2.4
79.05502	4.1
81.03407	4.2
81.07052	3.9
83.08640	1.2
85.02903	6.8
86.09699	2.9
91.03963	2.2
91.04510	0.7
91.05467	3.4
93.06550	0.6
93.07025	3.3
95.04969	1.4
95.08617	3.6
97.02884	3.8
101.02393	1.7
105.07034	2.2
107.04974	1.3
107.08618	1.6
109.10114	0.8
111.28255	0.6
115.04019	0.7
115.45002	0.7
119.08585	1.8
121.10135	1.4
122.38616	0.6
125.00022	2.2
127.03947	2.3
131.08551	1.7
133.10074	1.2
133.59415	0.7
135.11723	0.6
145.10129	1.2
147.11671	0.8
173.08203	0.9
175.11258	0.7
184.07344	11.1
185.04218	1.1
211.13377	0.7
242.94290	0.7
243.08492	1.2
251.12680	0.6
255.55307	0.8
311.01852	0.8
335.25879	0.8
469.20398	6.4
519.29254	3.9
537.16040	0.7
604.83319	0.7
673.87531	0.7
747.42889	100.0
748.43134	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	746.504
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.5
55.05510	26.4
55.14392	3.1
56.05835	3.1
57.03432	12.3
57.07077	11.8
60.42750	2.7
61.02903	3.8
67.05503	30.6
69.03423	4.1
69.07059	27.5
69.17703	22.5
69.18130	10.8
71.08622	5.8
74.44801	2.9
79.05489	22.3
81.03413	56.5
81.07052	39.1
83.04977	8.4
83.08627	32.7
85.02911	16.8
85.10155	3.7
89.06039	4.3
91.05488	27.1
93.07034	16.9
95.04961	23.3
95.08582	24.0
97.02930	4.2
97.06516	4.6
97.10164	13.8
98.21500	4.9
101.13162	3.1
105.07028	17.4
107.04958	7.5
107.08580	8.6
109.06537	3.2
109.10160	13.1
111.08071	10.6
111.11755	3.8
113.05952	4.3
117.49173	3.2
119.08598	8.9
121.10140	13.0
123.11700	3.8
129.07039	7.3
131.08548	7.4
133.10130	11.5
135.11676	5.4
147.11714	11.9
149.09676	4.6
157.10132	11.6
175.11218	11.8
184.07277	15.1
193.12245	32.8
195.00426	5.3
211.13286	56.9
224.93033	3.1
267.15833	18.6
284.10431	7.6
285.16925	63.7
285.19846	4.5
339.28918	62.3
392.19662	3.8
410.20944	5.2
525.34601	3.5
531.40472	15.4
549.41467	100.0
575.38733	3.2
681.17963	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.8
55.01854	0.9
65.03913	0.5
67.05480	2.5
68.68628	0.5
69.03425	4.8
69.58355	1.7
69.58762	1.5
70.20924	0.6
71.01356	1.1
71.04998	0.9
72.88790	0.5
77.03924	0.9
79.05490	5.9
81.03410	3.5
81.07043	1.6
85.02902	4.0
91.05489	2.7
93.07040	3.8
95.04964	58.1
96.05315	0.6
97.02888	8.7
97.06541	0.8
103.05460	3.7
105.04504	1.2
105.07030	0.8
107.04951	41.4
109.02874	27.6
109.06496	2.6
110.26215	0.5
112.32530	0.5
119.04927	1.3
121.06511	8.7
123.03588	1.1
123.04432	14.0
124.03956	0.6
125.02348	25.0
125.05951	3.0
125.68948	0.5
127.03919	4.0
131.04945	2.5
131.05894	0.4
133.02856	1.5
135.04436	3.7
145.04982	1.1
147.04367	1.0
149.05977	15.5
151.03894	100.0
152.04230	1.1
153.05457	7.3
159.04417	2.3
163.03966	0.7
165.05463	0.7
167.07043	0.7
169.04993	0.8
175.03902	1.3
177.05463	25.2
189.07581	0.9
193.04926	2.4
195.06520	66.3
196.06937	1.4
211.05963	6.3
213.07584	8.9
227.06535	0.6
229.07091	2.2
251.09192	0.5
269.06497	0.7
295.08035	1.5
303.08685	0.8
321.09528	1.6
339.10776	6.1
357.11795	7.0
408.26620	0.6
445.28574	0.5
505.13147	1.9
534.34247	0.6
731.65656	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.4678
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85021	1.5
55.05495	4.2
57.03428	3.9
57.07072	1.5
60.08150	5.5
60.62483	1.4
67.05496	16.6
69.07045	4.4
71.07382	1.6
71.51539	2.3
79.05489	13.6
81.03421	19.2
81.07050	12.1
83.04969	1.8
83.08596	6.4
86.09221	2.8
86.09702	27.7
91.05478	9.0
93.07047	12.9
95.04956	7.3
95.08600	7.1
97.06526	2.1
97.10143	2.8
98.98463	3.1
105.07005	5.9
107.04955	3.0
107.08581	5.6
109.10145	5.0
111.08047	1.5
117.82850	1.6
119.08572	6.6
121.10108	7.6
125.00000	16.1
125.09618	2.0
127.47851	1.4
129.06943	1.5
131.08574	6.6
133.10132	4.2
135.11678	5.1
145.10127	3.0
147.11636	4.1
149.13242	2.6
157.10172	2.9
159.11636	3.5
163.11115	2.6
173.13176	1.7
175.11172	2.1
176.18539	1.4
182.16548	1.5
184.07335	100.0
193.12248	6.4
199.90457	1.5
215.17918	4.7
233.19014	5.7
267.15927	34.1
273.22363	2.2
286.69376	1.4
307.22601	15.2
423.31458	1.5
425.30325	2.7
441.35184	1.8
499.34229	17.1
517.35223	13.5
746.45038	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	746.234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.7
54.67497	0.8
55.01883	1.2
55.05507	2.3
55.31121	0.7
57.02257	0.7
57.03426	2.6
61.02914	2.0
67.05491	2.0
69.03426	5.4
69.07058	0.6
71.01350	13.3
71.04974	2.4
71.49845	1.1
71.50240	1.0
79.05466	1.1
81.03419	1.6
81.14462	0.7
83.04977	24.6
83.05476	1.3
85.02901	100.0
86.03220	0.7
86.34967	0.7
95.01326	5.0
95.04970	4.5
97.02891	3.4
97.06511	4.1
99.00868	0.9
99.04474	0.9
105.07011	0.8
107.04996	1.8
109.02861	1.4
111.04439	12.8
113.02362	4.6
113.05992	1.0
117.01869	3.1
123.04465	1.0
125.02368	1.0
125.05975	1.6
127.03909	27.6
127.04835	1.5
128.04257	0.8
129.05505	2.6
135.04385	1.3
137.02303	1.5
139.03769	0.9
141.01813	26.9
143.07036	1.7
149.06009	1.0
151.03885	1.7
153.05515	1.2
157.04958	6.8
159.02881	1.1
171.06522	18.7
175.06110	1.2
179.03427	0.9
183.02930	5.3
189.07588	3.1
195.06387	0.9
201.03935	24.3
251.05421	1.0
261.06046	58.1
269.06534	1.5
287.07709	1.5
311.07556	2.4
389.10938	0.9
656.68085	0.8
702.42554	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.359
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.1
55.01863	2.2
55.05505	1.8
57.03430	1.1
57.07076	1.2
61.02895	0.8
65.03936	1.9
67.05507	3.7
69.03423	6.9
69.07065	2.7
71.01354	0.8
71.04983	1.6
71.51054	0.9
75.53671	0.5
77.06026	0.5
79.05492	9.2
81.03417	9.8
81.07053	100.0
82.07370	0.6
83.01329	0.7
83.04979	0.8
85.02898	4.6
86.09702	1.3
91.05473	4.0
93.03400	1.6
93.07050	4.2
94.04215	0.9
95.04964	12.1
95.08607	13.7
97.02885	9.2
97.06507	0.7
99.04457	3.4
103.05494	1.5
105.07035	2.2
107.04951	7.7
107.08584	1.5
109.02876	17.9
109.06522	2.2
109.10154	1.1
111.04452	3.0
113.74281	0.5
115.05450	3.2
117.07014	10.8
119.05017	0.7
119.08588	1.0
121.02863	15.3
121.06507	5.4
123.04432	4.9
123.08059	0.6
124.99946	0.9
125.02338	4.2
127.03915	20.6
128.06229	0.6
129.07024	1.2
131.04898	4.2
133.02940	0.7
133.06503	1.6
135.04449	1.7
135.08038	3.7
137.06001	1.4
137.13246	18.3
137.14252	1.0
139.03906	13.7
139.04938	1.1
143.08603	0.6
145.05002	2.1
145.06474	15.4
147.04419	1.6
147.08009	1.1
149.02339	6.1
149.05952	5.2
149.86151	0.6
151.03931	2.3
153.05432	3.9
155.04880	0.7
155.06052	1.7
159.04439	3.7
161.06009	1.9
163.03903	1.4
163.07530	7.6
165.05492	2.2
167.03394	5.1
167.07108	1.8
171.04449	0.6
173.05983	18.2
175.03935	2.6
175.07597	2.0
177.05475	3.3
181.04967	3.1
184.07475	0.7
185.04410	1.9
187.07558	1.0
189.05528	1.3
191.07021	16.7
194.04778	0.7
195.06552	0.7
197.06071	0.7
199.05963	3.7
201.05510	3.6
205.08655	2.4
207.06511	1.0
209.08092	2.4
212.21719	0.6
219.06519	14.8
223.09695	2.3
233.08273	1.1
237.07565	23.2
238.07944	0.9
251.09189	4.1
255.08585	6.6
269.10233	5.9
277.06998	0.7
279.08670	1.0
287.05841	0.6
291.08743	1.0
293.06604	3.4
293.09976	1.1
296.06860	0.6
299.08896	0.7
307.08075	1.8
311.07724	4.5
311.10843	0.9
315.05267	1.0
317.10364	0.6
325.09232	5.7
326.09341	0.7
327.08569	3.0
329.06406	0.8
331.08212	1.6
343.10257	4.5
345.09747	6.7
359.11151	1.2
363.10696	14.5
373.08887	0.8
377.12347	6.5
381.11771	18.5
382.11914	0.9
395.13364	9.7
413.14523	3.4
415.10233	0.8
525.16431	1.3
543.17145	0.8
557.18732	0.9
640.71704	0.6
746.32672	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08923	0.7
53.03957	2.1
55.01872	12.5
55.05501	1.0
57.03448	1.0
59.04991	1.7
65.03934	5.7
67.05500	3.5
69.03403	1.1
70.61044	2.1
70.61399	1.8
77.06116	0.9
79.05489	6.9
81.03410	3.7
81.07047	2.0
82.04189	1.3
83.04972	4.0
85.02884	2.2
86.09717	1.1
91.05489	9.6
93.03404	1.6
93.07046	1.8
94.04184	3.2
95.04962	7.7
97.02875	1.3
97.06525	2.9
99.04441	1.3
103.05467	45.4
104.38563	1.0
105.03361	1.3
105.07050	6.3
107.04967	8.8
107.08529	1.1
109.02898	3.8
109.06506	2.7
110.03675	3.5
111.04453	13.2
115.05450	3.8
117.07014	2.8
119.04942	3.7
121.06507	4.2
122.03652	5.8
123.04430	5.7
124.05271	1.4
125.02395	1.1
125.06013	8.8
127.03970	1.5
128.06239	1.2
129.06975	4.3
130.04190	1.1
131.04927	100.0
132.05240	1.8
133.02879	2.2
133.06508	3.4
135.04402	3.8
137.05978	91.6
138.06358	1.9
139.03934	1.7
144.05692	1.3
145.06508	3.8
147.04504	4.4
147.08076	1.7
149.05984	3.4
151.03926	12.0
151.07562	9.6
153.05460	15.6
153.06764	1.5
157.06541	1.4
159.04463	1.1
159.08051	3.7
160.05200	1.3
161.06007	7.6
162.06651	1.0
163.03932	2.5
163.07541	31.2
165.05432	4.3
165.06905	1.7
167.07050	31.3
168.07346	1.6
172.05154	1.9
173.06001	3.2
175.07550	8.2
177.05542	5.8
177.09081	1.6
178.07800	1.4
179.07030	3.4
179.08476	1.2
181.04999	2.8
181.06415	1.2
181.08635	0.9
183.06526	1.1
185.06018	1.1
186.06718	1.8
187.03831	1.1
187.07547	10.3
189.05463	1.3
189.06998	1.9
189.09138	2.0
190.07767	2.1
191.07027	5.7
191.08502	1.7
194.07193	1.0
195.06529	21.5
195.08136	1.6
197.05882	1.2
199.07581	3.5
201.09093	1.2
202.07796	1.2
203.08672	2.1
205.06596	2.0
205.08475	1.9
206.07294	2.0
207.08127	1.5
208.08815	1.1
209.08084	2.2
211.07550	2.3
213.09113	1.7
215.08670	1.1
215.10663	1.4
217.06581	1.2
217.08534	1.3
218.07256	2.1
219.08188	6.0
219.10072	1.4
220.08859	2.0
221.06009	3.0
221.09694	1.9
222.06769	1.3
223.07544	1.6
225.09142	3.1
227.10677	1.0
229.08592	2.4
231.08138	1.7
232.08803	1.8
233.06030	1.1
233.09694	2.1
234.06691	2.7
235.07597	5.2
236.08325	3.5
237.09073	4.1
239.06961	1.5
239.10617	1.3
241.08554	2.4
243.10315	1.4
245.06003	1.6
246.06738	2.6
247.07526	4.3
248.08310	2.9
249.09195	6.0
250.06288	1.3
250.09749	1.7
251.06985	2.4
251.10645	3.5
253.08696	4.0
255.10172	1.2
259.07507	1.5
261.09036	2.8
263.06989	2.5
263.10751	2.3
264.07700	4.3
265.08667	5.2
266.09363	2.0
269.08099	1.0
271.06140	1.1
271.09662	2.4
273.11359	2.0
275.07095	1.7
276.07837	2.4
277.08551	5.6
278.09415	3.3
279.06818	1.9
279.10214	5.2
280.10925	1.4
281.07831	0.9
281.11783	3.5
282.08893	1.2
283.09631	1.8
285.11179	3.8
287.05426	1.2
289.08548	3.2
290.09415	1.0
291.10190	3.2
292.10855	1.6
293.08093	3.1
293.11615	1.6
294.08728	1.8
295.09644	3.2
296.10205	1.5
297.11203	3.8
306.08804	1.8
307.09631	7.8
308.10425	2.1
309.11148	5.8
311.12784	1.9
313.14725	1.0
315.12302	1.6
319.09674	4.1
320.10406	2.1
321.11185	5.2
323.12830	1.5
324.13647	1.4
325.10773	1.9
327.12073	2.1
333.11200	1.5
337.10681	3.8
338.11786	1.2
339.12286	59.4
340.12961	6.5
341.13940	9.4
343.11627	1.6
351.12195	14.4
352.12949	4.5
353.13748	4.8
357.13324	1.4
369.13174	1.4
383.14441	0.9
385.26340	1.1
387.14496	2.0
487.17386	1.2
513.53564	1.0
726.06146	0.9
745.26538	1.1
745.35919	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36526	1.2
53.03936	3.1
55.01857	3.7
65.03941	11.7
66.04695	1.2
67.05497	4.4
69.03417	2.0
70.06582	1.5
70.95029	2.9
77.03912	1.4
78.04681	3.2
79.05494	7.6
81.03396	3.0
81.07012	1.2
82.21762	1.1
85.02878	2.5
89.03900	1.3
91.05473	8.8
93.03382	4.5
93.07019	2.6
94.04168	2.5
95.04964	7.9
97.06570	1.3
103.05462	9.7
105.04533	1.6
105.07030	12.2
106.04165	2.0
107.04955	13.6
109.02865	4.0
109.06489	2.2
110.03678	11.6
111.04439	14.2
115.05467	7.6
117.03345	2.0
117.06992	2.9
118.04128	2.0
119.04926	5.0
119.08583	2.6
120.08082	3.4
121.02885	3.2
121.06498	5.0
122.03616	3.7
122.06014	3.7
123.04446	7.6
124.05188	2.8
125.02354	1.3
125.05991	18.5
128.06218	3.8
129.07005	7.3
130.04105	1.6
131.04924	14.9
131.08543	2.7
132.05640	2.5
133.02885	1.4
133.06480	7.8
134.03638	1.3
135.04373	2.6
136.05127	1.3
136.07552	4.6
137.05971	40.5
139.03880	1.5
141.07037	1.2
144.04512	2.5
144.05676	3.2
145.06441	4.8
147.04398	5.0
147.08009	2.8
148.05130	2.1
148.07542	5.0
149.05957	6.8
151.03920	10.4
151.07558	5.8
151.08664	1.2
152.04590	1.8
153.05460	55.1
154.02495	1.1
156.05614	1.4
157.06502	2.1
159.04425	1.6
159.08044	12.8
160.05202	3.3
161.05975	15.0
162.06697	1.7
163.03859	4.5
163.07518	11.2
165.05559	2.8
165.07010	3.3
167.07036	87.0
168.07393	3.5
170.09624	2.5
171.04469	1.4
172.03893	10.3
172.05193	2.0
173.05966	2.9
173.09584	1.4
175.07527	19.1
176.04675	1.3
177.05528	6.7
177.06898	1.5
178.07756	4.3
179.07008	5.1
179.08426	2.4
181.05029	5.7
181.06430	2.3
184.05154	1.7
185.05972	2.3
186.06755	3.1
187.07539	22.6
187.12297	3.8
189.05446	6.3
189.07030	3.5
189.09082	3.3
190.04959	1.6
190.07721	4.8
191.06996	11.2
191.08548	6.3
193.06548	2.2
193.08513	2.3
194.07266	2.1
195.06415	1.7
195.08076	2.8
198.09143	11.2
199.07462	7.1
201.05444	2.2
202.07767	3.7
203.06894	2.5
203.08540	4.7
204.06560	16.3
205.06465	5.7
205.08475	2.5
206.05415	1.2
206.07239	4.7
207.06387	2.8
207.08069	4.4
208.08749	2.2
209.08070	4.4
211.07550	2.7
215.06920	1.9
215.08737	1.7
215.11847	8.7
216.07813	4.8
217.06534	1.7
217.08528	1.8
218.07285	5.7
219.08104	11.0
220.08754	5.4
221.05960	4.8
221.09619	6.1
222.06662	1.4
223.07562	4.9
225.05438	1.2
225.09123	2.1
226.08557	4.2
229.08510	3.9
231.08015	4.2
233.05864	4.1
233.09654	4.3
234.06731	7.7
235.07544	9.4
236.08156	8.2
237.09071	6.0
239.06944	2.6
240.07706	1.8
241.08408	1.7
243.11298	45.5
245.06076	2.7
246.06815	2.5
247.07472	8.5
247.09761	2.4
248.08284	5.3
249.05473	1.9
249.06612	1.6
249.09007	11.6
249.11258	1.7
250.06171	3.3
250.09898	3.5
251.07034	4.0
251.10596	9.1
252.07950	2.2
253.08560	5.5
254.08994	1.6
255.11220	2.1
257.12878	2.2
259.07581	3.5
260.08252	2.7
261.09082	5.4
262.06308	2.5
262.09637	1.3
263.06876	5.7
264.07794	8.9
265.08597	12.1
266.09207	3.3
267.06610	2.7
267.10120	2.9
268.07248	3.8
275.07108	6.0
275.09964	1.3
276.07870	8.6
277.08551	13.3
278.09314	4.3
279.06836	2.0
279.10184	10.8
281.08078	5.1
281.11572	5.5
282.08890	1.6
283.09705	5.4
285.12347	33.6
286.12637	2.0
287.05600	1.5
289.08621	6.7
290.09415	3.5
291.06802	2.4
291.10138	3.8
292.07190	3.7
292.10587	2.8
293.08090	6.4
293.11536	2.7
294.08652	3.4
295.09674	3.3
296.10278	2.9
297.11264	6.1
299.12692	2.0
303.10248	1.5
303.13361	40.3
304.07486	1.6
304.13693	2.0
305.07977	3.2
306.08734	2.1
307.09659	22.1
308.10370	5.0
309.07751	2.2
309.11160	14.8
310.11758	2.3
311.09470	2.2
311.12787	6.0
313.10611	2.7
314.11295	1.7
319.09671	7.8
320.10446	2.3
321.11267	9.6
322.11807	1.5
323.09131	1.8
323.12830	3.6
324.10007	2.8
325.10873	8.6
326.11307	3.4
327.12262	22.4
333.11255	1.5
335.12729	2.8
336.09576	1.3
337.10733	6.0
337.14267	1.8
339.12277	100.0
340.09006	1.8
340.12646	7.1
341.13876	22.5
349.56677	1.4
351.12253	17.9
352.12762	1.8
353.13916	7.3
357.13498	8.6
369.13281	4.1
371.14905	4.8
383.14908	1.5
385.12735	1.8
411.11993	2.3
443.14569	1.9
499.17578	1.6
669.25256	3.2
713.23950	3.3
745.27563	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.4
55.01868	0.3
57.03425	0.2
58.89471	0.2
65.03937	0.7
66.04705	0.3
67.05479	0.3
69.03441	1.6
70.06575	0.3
70.97720	0.4
73.02908	0.2
79.05486	0.8
81.03407	0.8
81.07072	0.4
82.04192	0.2
85.02908	2.6
87.04451	0.3
91.05498	1.0
94.04187	2.2
95.04951	0.7
97.02892	1.3
103.05476	0.4
105.07018	0.3
107.04915	1.0
108.02070	0.2
109.02905	0.3
109.06490	0.3
110.03681	0.3
115.05435	1.3
117.07019	1.7
119.04910	0.2
121.06512	0.2
122.03646	4.7
123.04428	0.5
125.05984	0.3
127.03878	0.3
127.05399	0.2
131.04945	0.4
133.06456	0.3
137.05978	100.0
138.06306	0.9
142.02600	0.3
143.04942	3.9
145.06497	1.9
147.08060	0.3
151.03909	3.3
155.06027	0.7
161.05977	0.8
165.05461	0.4
167.07040	9.8
171.04396	0.3
171.06558	0.5
173.05984	4.1
175.07584	1.2
177.05461	0.4
179.07021	0.4
181.04958	15.5
183.06650	0.2
187.80524	0.2
189.05331	0.3
191.07114	0.3
203.06969	1.6
205.08604	2.5
221.08092	0.5
233.08116	0.8
235.09615	3.2
326.11465	0.2
357.13330	9.4
358.13879	0.2
387.14380	5.7
474.18042	0.2
519.18781	0.6
549.19659	56.7
550.19965	0.8
554.95697	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.8
55.01876	2.0
58.01529	0.8
67.05501	1.6
69.03433	7.8
69.31327	8.5
71.01362	0.9
71.04984	1.3
77.03951	1.0
79.05499	8.2
81.03403	4.3
81.07043	2.4
83.04963	0.9
85.02904	5.0
91.05502	4.3
93.07046	5.9
95.04968	64.7
95.45988	0.8
96.05277	1.3
97.02886	9.7
97.06490	1.2
103.05474	8.0
105.03361	1.0
105.04510	2.0
105.07018	2.6
107.04954	66.8
109.02874	40.7
109.06522	4.1
110.03248	0.9
111.09788	0.8
121.06497	13.4
122.03650	1.3
123.04420	14.9
125.02348	39.5
125.05983	5.4
127.03922	4.4
131.04942	4.1
133.02850	2.5
135.04420	6.0
137.05972	8.5
139.03897	4.0
147.04393	1.2
149.05983	21.8
151.03899	100.0
152.04289	0.9
153.05449	9.2
159.04449	3.7
163.03825	1.2
164.72150	1.0
165.05466	11.1
165.06743	1.1
167.07048	5.3
171.36617	0.8
173.05945	1.8
177.05470	42.3
181.04991	2.3
191.07005	1.2
195.06528	74.2
196.06853	1.7
201.65854	0.9
209.08052	4.7
213.07559	4.1
227.09169	3.3
233.08142	1.0
251.09090	1.4
295.08035	2.4
321.09671	2.3
339.10715	7.1
357.11758	10.0
387.14053	1.1
549.19507	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.9
55.01867	1.9
57.03432	0.5
59.04971	0.5
65.03918	0.5
67.05495	2.2
68.94005	0.4
69.03421	7.8
69.26852	2.4
69.27293	1.9
70.20942	0.5
71.01355	1.4
71.04982	0.7
77.03915	0.7
79.05492	8.9
81.03414	4.6
81.07051	1.6
85.02904	3.6
91.05477	3.9
93.07037	5.6
95.01355	0.6
95.04965	54.4
97.02888	9.6
97.06497	0.8
98.21486	1.0
103.05450	6.5
105.03364	0.6
105.04496	1.3
105.07025	1.2
107.04951	63.8
108.05278	1.1
109.02876	41.4
109.06508	3.0
111.04496	0.5
112.83437	0.6
116.93358	0.5
117.07042	0.4
119.04967	0.8
121.06503	12.7
123.03591	1.0
123.04425	13.1
125.02348	38.6
125.05985	4.8
126.02689	0.8
127.03919	5.4
131.04959	4.4
133.02826	1.4
135.04417	4.8
137.05992	2.5
139.03879	2.4
139.07570	0.5
145.04939	1.4
147.04359	0.7
149.05971	22.2
150.06363	0.5
151.03897	100.0
152.04224	1.3
153.01971	0.4
153.04337	0.8
153.05472	9.9
159.04398	3.6
160.84657	0.4
161.06001	0.6
165.05478	9.1
167.03394	1.0
167.07034	6.6
173.05969	0.6
177.05466	46.2
178.05791	0.8
189.07663	0.8
191.06973	0.6
195.06522	88.4
196.06862	1.8
202.64223	0.4
209.08105	5.2
213.07573	4.6
227.09117	2.8
233.08177	1.1
251.09122	1.9
264.73074	0.5
266.08682	0.6
269.06546	0.7
295.08087	1.9
297.11057	0.7
303.08737	0.6
321.09662	3.2
339.10739	9.2
357.11746	11.9
387.14426	0.6
489.13605	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.7
55.01868	2.3
57.03430	0.6
59.04997	1.1
65.03933	0.9
67.05497	3.6
69.03431	9.4
70.06588	1.4
71.01345	2.3
71.04980	1.4
71.49840	0.7
71.50224	0.7
72.80589	0.6
73.02959	0.7
73.50062	0.6
77.03915	1.4
79.05490	8.9
81.03403	6.1
81.07047	3.2
83.01307	0.9
83.04983	1.4
85.02904	6.2
86.09750	1.0
91.05482	6.1
93.07043	5.0
94.04219	1.0
95.04962	58.0
95.08582	0.9
96.14981	0.6
97.02893	11.3
97.06546	0.8
99.04482	0.8
103.05465	8.7
105.03386	1.3
105.04486	1.4
105.07020	3.8
107.04953	64.1
109.02876	41.8
109.06487	3.8
111.04425	1.5
115.05463	1.9
117.03434	0.6
117.07024	2.3
118.06542	0.5
119.04935	1.4
119.08541	0.7
121.06496	13.8
122.03619	3.1
123.04417	14.9
125.02349	37.7
125.05976	5.0
127.03922	5.5
129.06979	1.7
131.04924	7.6
131.08571	0.9
133.02856	2.9
133.06450	1.6
135.04395	7.0
137.05972	52.3
138.06325	0.8
139.03912	4.8
143.04977	2.9
145.04872	1.5
145.06499	2.6
147.04425	1.9
147.08047	0.8
149.05974	21.2
151.03894	100.0
152.04257	0.9
153.05470	10.2
157.06490	1.3
159.04355	3.5
161.05948	2.3
163.03912	1.8
163.07529	2.4
165.05475	14.8
165.06894	0.9
165.09154	0.6
167.07025	16.5
173.05963	4.3
175.03929	1.0
175.07538	2.7
177.05461	43.8
181.04991	9.4
181.06470	0.9
187.07559	1.5
189.05530	0.9
189.09183	1.0
191.07024	3.1
193.08542	0.9
195.06517	82.9
196.06917	0.7
199.07631	1.2
203.07063	2.7
205.08551	1.7
209.06026	0.9
209.08044	7.0
209.09720	0.8
213.07530	4.6
217.08589	0.8
227.07072	1.2
227.09084	2.1
233.08107	1.8
235.07483	0.9
235.09654	1.8
237.05524	0.6
237.09079	0.8
251.09117	1.4
257.08072	0.8
283.09634	0.6
287.05276	1.0
295.08203	1.9
301.07001	1.1
309.11246	0.7
321.09485	2.9
323.09692	0.7
325.10577	1.3
327.12225	1.2
339.10748	7.5
353.10071	1.0
355.11734	2.6
357.11789	11.8
371.11026	1.4
380.68015	0.6
387.14359	10.9
389.12088	1.0
489.13828	1.2
495.13998	0.7
499.17145	0.7
515.14844	1.1
533.16010	1.1
539.19745	0.8
547.17645	0.8
549.11713	1.1
549.19623	16.5
561.08374	0.7
583.20557	1.2
634.31732	0.7
745.26477	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.8
55.01870	3.1
55.05496	1.1
57.01971	0.8
58.61074	0.9
59.04998	9.0
65.03936	3.0
67.05506	4.8
68.02622	0.9
69.03425	6.8
69.24445	4.1
69.24877	4.4
71.01336	3.9
71.04996	2.4
73.02930	0.8
74.79366	0.9
77.03931	1.8
79.01823	1.0
79.05490	19.6
81.03417	10.3
81.07081	4.5
83.01339	1.3
83.04980	3.6
85.02913	5.7
87.04478	1.1
91.05473	9.2
93.07043	9.4
94.04190	2.2
95.01323	2.6
95.04966	28.0
95.08598	1.2
97.02896	6.8
99.04467	3.0
99.75636	0.8
103.03938	1.0
103.05465	14.7
105.03414	2.2
105.04468	1.8
105.07032	4.8
107.04955	89.2
107.08597	1.1
109.02879	100.0
109.06517	8.0
111.04443	5.4
115.05461	3.0
117.06992	2.2
119.04929	2.0
121.06497	19.9
122.03640	5.0
123.04424	11.8
124.05228	0.9
125.02348	20.5
125.05980	3.9
127.03914	5.8
129.06987	1.8
131.04930	13.5
131.08598	1.1
133.02837	3.7
133.06491	2.9
135.04453	5.2
137.05972	59.6
138.06386	0.9
139.03900	48.7
139.07535	2.0
141.05473	1.8
143.04883	0.9
144.05659	1.4
145.04984	1.4
145.06427	1.8
147.04417	2.5
149.05977	38.3
151.03906	59.2
151.07533	2.7
153.05467	18.7
157.05055	1.2
157.06377	1.1
159.04440	6.3
159.08072	2.5
160.05150	2.2
161.05945	4.3
163.03976	1.5
163.07552	3.9
165.05481	67.3
167.03319	1.2
167.07047	28.0
173.06006	2.1
174.06818	1.0
175.03929	1.4
175.07587	4.7
177.05472	98.2
178.05844	1.9
179.07056	2.4
181.04950	3.6
181.06329	1.0
181.08574	2.4
183.07999	1.1
186.06830	1.2
187.07523	3.0
189.05428	1.0
189.09140	2.1
191.07016	8.5
193.08617	2.0
195.06529	35.9
199.07542	1.4
203.06998	1.1
205.06573	1.6
205.08424	2.2
207.08128	1.2
209.08090	76.4
210.08386	1.3
213.07581	17.6
215.07179	1.0
216.07913	1.1
217.08698	1.7
219.08101	1.2
219.10042	1.2
222.06700	1.9
223.07585	1.2
227.09230	1.7
229.08492	1.1
234.06744	1.9
235.07440	1.2
236.08199	0.9
237.09149	2.9
240.07819	1.9
247.07562	2.0
249.09070	1.9
249.11264	1.2
251.07063	1.3
263.06967	1.2
264.07605	1.1
265.08560	5.3
267.10193	1.1
268.07269	5.0
276.07745	1.5
277.08585	4.8
279.10208	1.7
281.11633	0.9
283.09674	8.1
289.08826	0.9
291.12292	2.7
293.08060	2.0
295.09204	1.1
296.10446	1.2
297.11230	6.4
303.08850	1.7
307.09665	2.7
309.11185	2.3
311.12720	1.0
319.09753	1.2
321.10013	3.8
325.10721	3.7
327.12323	2.4
337.10605	1.5
339.12268	11.5
340.12698	1.0
341.13858	2.0
351.12201	2.8
353.13293	1.1
355.11780	1.0
357.13370	2.0
359.15125	1.0
371.14310	2.4
387.14581	6.6
399.14688	1.1
499.17532	3.0
507.14996	1.7
533.15491	1.0
745.29797	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	745.254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	0.7
53.03940	4.8
55.01859	3.1
55.05508	0.7
55.92677	0.7
57.03422	1.3
57.88712	0.6
59.01355	0.6
59.04760	0.7
59.05006	10.6
61.25635	0.8
62.99304	0.6
65.03931	3.2
65.87915	0.7
66.04717	0.9
67.05507	5.3
69.03430	5.8
71.01353	4.0
71.04977	1.4
71.51632	1.2
71.52030	0.9
73.02922	1.0
77.03919	1.7
79.05492	19.7
81.03422	11.0
81.07056	5.8
83.01340	0.7
83.04977	4.8
84.69508	0.7
85.02895	5.4
87.04451	1.2
91.05473	8.7
93.03393	1.2
93.07040	7.2
94.04174	1.5
95.01323	2.3
95.04970	33.2
95.08639	1.1
97.02892	7.0
97.06540	1.9
99.04473	1.0
103.03962	1.4
103.05466	15.7
105.03391	1.8
105.04507	2.1
105.07042	4.7
107.04956	91.2
109.02879	100.0
109.06516	8.4
110.03727	1.3
111.04427	6.2
111.08067	0.8
115.05460	2.2
117.07011	0.9
118.04189	0.7
119.04952	1.9
121.06501	20.3
122.03664	3.7
123.04436	11.6
124.05272	0.8
125.02351	20.3
125.05994	2.7
127.03906	5.0
128.06250	1.2
129.06998	2.0
131.04930	12.4
131.08609	0.8
133.02841	4.0
133.06508	2.5
135.04399	6.0
137.05977	51.7
139.03902	46.1
139.07558	1.7
141.05453	2.2
143.04886	1.5
144.05670	1.1
145.04922	1.6
145.06470	2.1
146.03641	0.8
147.04419	2.9
148.05244	1.1
149.05981	37.2
150.06342	0.9
151.03903	60.0
151.07536	2.8
153.05479	17.8
153.06789	1.2
157.04924	0.9
157.06522	1.1
159.04424	7.2
159.08061	1.9
160.05228	0.9
161.05992	5.2
163.03922	1.8
163.07561	3.9
165.05476	64.1
166.05904	0.8
167.03268	1.2
167.07034	31.1
167.08456	1.7
168.07350	1.2
173.05928	2.0
175.07539	4.9
177.05470	92.4
178.05898	0.9
179.07085	1.9
181.04944	5.2
181.08574	2.0
183.06540	0.8
187.07468	4.2
189.05441	1.4
189.07159	1.1
189.09122	2.0
191.07045	9.3
191.08615	1.4
193.04999	0.8
193.08621	1.8
195.06532	34.4
197.06046	1.3
199.07602	1.7
201.05551	0.8
203.07132	1.2
205.06609	1.5
205.08560	1.4
206.07294	1.2
209.08089	73.1
210.08459	1.2
213.07553	16.8
217.08545	1.2
218.07295	1.1
219.08124	2.4
220.20393	0.7
221.06070	1.1
221.08037	1.1
222.06790	0.8
223.07420	1.6
227.09204	1.6
233.05997	1.2
234.06825	2.2
235.07509	2.0
236.08316	0.8
237.09138	3.0
239.07204	0.8
240.07814	2.0
247.07553	1.9
248.08278	0.9
249.09132	2.5
249.11351	1.3
250.06189	1.2
251.07065	1.2
251.10931	1.0
253.08629	1.7
261.09036	0.9
263.06979	1.5
265.08533	5.4
266.09314	1.3
268.07318	4.2
276.07761	0.9
277.08661	3.9
279.10193	2.0
281.11728	1.2
282.09006	1.2
283.09573	6.9
285.11163	0.9
291.12393	2.7
293.08176	1.4
294.08777	1.0
295.09518	0.9
297.11374	5.2
301.09113	1.6
307.09601	3.4
308.10471	0.8
309.11252	3.1
311.12878	1.6
321.10043	2.5
324.60046	0.7
325.10706	2.2
326.11481	0.8
327.12222	2.5
339.11804	9.8
340.13031	0.9
341.13956	1.6
351.12219	2.9
355.11707	1.1
357.12912	1.2
371.14505	2.6
387.14371	5.7
467.14923	0.8
499.17587	3.4
507.15054	1.6
517.18610	1.1
629.97894	0.8
672.72888	0.9
745.29114	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	745.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.5
55.01868	2.1
57.03428	0.7
59.05015	0.5
60.52958	0.5
65.03939	1.5
67.05503	2.5
67.45663	0.5
67.82217	0.5
69.03426	9.4
69.07063	0.5
69.81459	2.5
71.01347	1.6
71.04996	1.7
73.02924	0.6
77.03906	0.8
79.05489	8.8
81.03420	6.3
81.07045	2.3
83.01341	0.7
85.02903	5.6
89.03942	0.6
91.05473	5.7
93.03391	1.0
93.07050	4.7
94.04182	1.7
95.01331	0.8
95.04962	56.8
95.08597	0.6
97.02887	8.7
97.06519	1.6
99.04484	0.8
101.02402	0.6
103.05462	8.5
105.03394	1.6
105.04524	2.5
105.07047	2.6
106.31906	0.5
107.04950	62.3
109.02876	40.4
109.06501	4.2
111.04437	1.0
115.05468	2.0
117.07010	2.4
119.04926	1.3
119.08547	1.1
121.06493	13.5
122.03650	3.1
123.04433	13.7
125.02348	34.4
125.05983	4.8
127.03905	5.2
128.06241	0.7
129.07021	1.4
131.04912	6.3
131.08632	0.6
133.02873	3.0
133.03716	0.5
133.06473	2.0
135.04395	6.2
137.05971	50.2
138.06306	0.6
139.03885	4.2
141.06953	0.7
143.04918	3.7
145.04942	1.3
145.06470	2.1
147.04384	1.9
147.07993	1.0
149.05974	22.5
151.03897	100.0
152.04312	1.0
152.06206	0.6
153.05460	9.6
153.06812	1.0
155.08591	0.7
157.06474	2.1
159.04443	3.8
159.08041	0.9
161.05962	2.3
163.03870	0.9
163.07498	1.8
165.05489	14.4
165.06903	1.3
167.03410	1.5
167.07030	12.8
167.08455	1.0
171.06494	0.6
173.05984	3.8
175.03885	1.8
175.07544	2.7
177.05463	39.7
179.07056	0.7
181.04971	7.8
181.06435	0.8
181.08618	1.3
185.06026	0.8
187.07518	1.3
189.05475	1.6
189.09023	0.6
191.06995	3.6
193.04935	0.8
193.08566	0.7
195.06520	77.2
196.06845	0.8
199.07559	1.2
201.05458	0.9
203.07011	2.1
205.08577	2.1
209.08072	7.7
211.07526	1.2
213.07492	5.5
221.08028	1.1
225.05576	0.6
227.07092	0.9
227.09128	2.8
229.08435	0.5
233.08012	1.7
235.07538	0.8
235.09676	2.0
251.09175	1.5
255.06403	1.1
255.10034	0.6
257.08084	0.8
265.08475	1.3
267.10019	0.5
271.78622	0.6
273.07437	0.7
277.08804	0.6
278.13916	0.6
279.10037	0.9
283.10190	0.6
295.08109	1.1
301.07251	0.6
303.08463	0.6
307.09546	1.2
309.11087	1.0
311.12766	0.6
321.09671	2.6
325.10782	1.0
327.12170	1.0
335.09106	0.7
339.10721	7.8
353.10117	1.6
355.11813	1.3
357.11801	12.6
371.11102	1.6
371.15161	0.9
385.12686	1.1
387.14362	8.5
389.12192	2.6
500.84973	0.6
549.11768	0.8
549.19653	15.0
583.20563	0.6
610.36200	0.6
745.26672	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	745.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.8
55.01338	1.6
55.01593	1.8
55.01875	4.7
55.05494	0.9
57.03423	1.3
59.04993	1.3
61.02945	1.2
65.03937	2.2
67.05505	2.5
69.03436	12.3
69.57368	2.7
69.57777	3.1
70.06554	1.0
71.01348	2.1
71.04996	1.6
71.42789	0.8
73.02930	1.3
77.03932	1.6
79.05493	10.4
81.03425	11.3
81.07061	2.4
83.01338	1.0
83.04988	0.8
85.02905	9.1
85.06377	0.7
91.05479	4.4
91.22882	0.8
93.07049	4.1
95.01386	1.0
95.04971	52.9
97.02893	12.4
97.06541	1.9
99.04470	1.2
103.05470	8.9
105.03420	1.0
105.04520	1.1
105.07044	3.5
107.04958	59.0
108.04501	3.8
109.02876	37.1
109.06533	3.4
111.04467	1.5
112.07139	0.8
115.05479	1.8
117.07013	2.0
119.04981	2.4
121.02889	1.6
121.06503	10.6
122.03660	3.0
123.04436	13.2
125.02358	30.2
125.05956	4.8
127.03912	5.5
131.04933	8.6
133.02879	2.4
133.06500	2.1
135.04408	6.6
137.02386	1.1
137.05975	30.0
139.03951	3.5
143.04964	3.1
144.05681	0.9
145.05005	2.0
145.06529	2.3
147.04434	1.6
149.02292	1.0
149.05989	17.5
151.03903	100.0
153.05476	9.1
155.06020	1.2
159.04398	4.2
161.06029	2.0
163.03944	1.0
163.07568	2.4
165.05466	11.0
165.06700	0.9
167.07040	13.3
167.08273	1.3
168.06618	2.6
173.06046	2.4
175.07628	1.4
177.05472	35.5
178.05821	1.0
179.07008	1.0
181.04964	5.1
187.07629	1.5
189.05489	1.1
191.07042	6.8
192.07870	1.0
195.06540	73.4
199.08763	1.9
203.06992	1.4
205.08684	1.9
209.08086	6.7
213.07651	3.8
215.08315	1.5
227.08690	3.5
227.09016	3.6
229.09677	1.5
233.08229	1.2
237.10425	1.0
238.05087	1.5
239.08205	2.5
240.06714	1.5
240.08981	1.2
241.06158	1.4
241.09760	2.4
243.07645	9.9
248.10713	1.0
249.10396	1.8
251.08456	2.8
251.11812	1.6
252.09016	1.2
253.06178	1.3
253.09834	3.6
255.07730	1.6
255.11269	1.5
257.09192	2.0
263.08374	1.5
265.09729	6.6
267.07794	3.1
267.11301	4.4
269.09082	1.6
273.08731	2.0
276.08640	1.2
277.09811	3.6
279.07748	5.7
279.11325	3.0
280.08493	2.8
281.09290	6.2
281.12146	1.1
282.10065	1.1
283.07578	1.5
283.10886	6.7
287.11783	1.1
288.11151	1.0
289.09793	2.7
291.07651	2.5
291.11349	4.2
293.09280	9.3
293.12634	1.5
295.07617	1.8
295.10828	3.9
296.05524	1.1
297.08649	2.0
299.10361	3.4
301.08203	1.7
303.11313	3.3
305.09283	4.8
305.12781	1.9
306.10037	2.4
307.07138	3.3
307.10855	5.2
308.07932	1.6
308.11279	1.1
309.08813	5.5
309.12177	2.2
311.10309	3.6
313.12057	1.4
315.09534	4.1
316.10666	4.3
317.09409	2.7
318.10266	2.1
319.07315	2.6
319.10880	4.8
320.08365	1.2
321.08728	12.5
321.12198	1.9
322.09515	1.7
323.10223	14.0
327.09616	1.6
327.13266	1.6
329.09158	1.4
331.10953	3.2
332.08929	1.0
333.08844	4.2
333.12201	2.0
334.09500	1.9
335.10251	9.0
336.10983	5.7
337.11816	3.4
337.55368	0.9
338.10587	1.4
339.10175	9.6
341.11295	16.7
343.07199	1.0
343.10953	3.0
345.08630	1.4
345.12378	2.5
346.09494	1.4
347.06662	1.1
347.10315	4.0
349.11914	2.9
353.11450	3.0
355.12497	7.1
357.11948	12.3
359.10291	1.5
361.08002	1.6
361.12000	3.4
363.09485	7.1
363.13727	1.4
365.11459	4.6
366.10040	1.2
371.09860	1.7
371.14536	1.4
373.11771	1.7
375.09586	4.3
377.11496	2.8
381.10742	6.0
382.11597	3.2
383.12372	6.4
385.11929	2.5
387.14404	10.1
389.11569	3.5
390.12204	1.2
391.13168	4.2
395.12759	2.5
397.14218	1.3
398.12906	1.1
399.12497	5.5
407.12613	3.7
409.13821	1.4
413.13919	2.7
414.13730	1.1
417.10587	7.4
419.12534	3.5
423.12106	2.9
424.12601	0.9
425.13690	1.2
427.13089	1.9
435.11813	18.8
436.12350	1.3
437.13492	3.8
441.14417	2.6
445.14273	1.8
449.13254	2.0
451.15085	2.4
453.13858	1.3
455.13696	1.4
459.15927	1.4
463.11334	7.0
467.14481	3.9
469.15939	5.0
471.15747	1.6
477.12711	1.9
481.12405	1.8
487.15216	5.3
489.16116	2.4
495.13977	38.2
496.14667	4.1
497.13885	2.2
505.15997	8.2
513.15057	7.7
515.14600	14.4
519.17792	2.8
521.19055	2.6
529.16357	1.3
533.15668	11.0
537.18896	3.2
539.20282	8.7
547.17200	10.7
549.20404	4.6
551.16742	1.2
565.18176	45.9
566.18146	2.3
583.19257	87.7
584.19647	3.2
745.24548	51.6
746.24951	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	744.4445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	0.2
56.05033	0.7
58.06624	0.4
60.08162	6.3
66.14169	0.1
67.05505	0.3
70.06574	0.3
70.64355	0.3
71.06992	0.2
71.07373	3.2
75.52919	0.1
79.05495	0.4
81.07047	0.2
86.09705	30.7
87.10033	0.3
91.05490	0.2
93.07046	0.2
95.08619	0.1
97.06541	0.1
98.98462	3.2
104.10740	2.4
105.07044	0.1
107.08627	0.1
116.99524	0.1
121.10094	0.1
124.99999	20.6
136.07634	0.1
143.01030	0.3
163.11258	0.1
184.07335	100.0
185.07655	0.8
189.89935	0.1
259.71918	0.1
283.15295	0.1
371.78198	0.1
435.66534	0.1
456.90491	0.1
518.32050	0.2
726.43311	5.8
727.43201	0.3
744.43408	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.0
55.01591	3.6
55.01869	11.6
57.03426	2.6
61.02913	2.3
65.03948	2.8
67.05489	5.2
69.03418	8.5
69.03778	2.3
71.04974	3.6
71.12273	6.7
72.39851	2.4
79.05483	7.4
81.03419	9.1
81.07032	2.6
83.01348	2.7
84.08144	2.6
85.02914	15.4
86.09730	2.4
91.05469	4.9
93.07021	3.0
95.04966	31.4
97.02898	10.2
99.04458	3.1
103.05460	3.7
105.06955	2.8
107.04948	33.1
108.04463	15.4
109.02877	13.8
111.04453	3.1
115.05424	3.2
121.06499	6.8
122.03600	3.7
123.04441	9.2
125.02330	11.8
125.05991	3.6
127.03932	4.6
129.07004	3.7
131.04930	5.1
135.04359	11.0
137.05984	74.7
140.07040	2.9
143.04938	5.0
145.06441	3.5
147.07741	2.9
149.05969	10.4
151.02754	4.2
151.03902	58.7
151.07629	2.3
153.05464	9.6
159.04411	2.8
161.05939	4.4
163.03896	3.0
165.05450	8.0
167.07094	16.9
168.06551	13.1
175.07581	3.4
177.05484	14.7
179.07001	3.3
181.04944	11.1
189.09154	2.4
193.08733	2.6
195.06490	25.8
199.08844	2.4
207.80119	2.1
209.08142	8.2
212.07210	2.9
215.08238	3.5
216.06485	3.6
221.25586	2.3
227.08382	3.3
235.07489	2.2
235.16066	2.1
237.10291	4.6
239.08131	3.6
239.11778	4.3
240.06462	3.2
241.09627	2.9
243.07721	10.2
249.10118	3.0
252.08969	7.0
253.09720	4.7
255.07602	3.8
255.11328	2.3
261.10016	3.1
264.08600	2.8
265.09677	13.6
267.07617	4.9
267.11255	6.7
268.06113	4.6
269.09085	3.9
277.09790	4.5
279.07587	9.7
279.11084	5.3
280.08447	6.3
281.09207	12.5
283.10678	4.5
289.09732	5.0
291.07660	3.1
291.11191	7.4
292.09650	2.8
293.09180	35.6
294.09924	4.9
295.07700	3.2
295.10822	15.2
296.05533	8.1
297.08731	5.7
299.10336	6.8
301.09760	5.3
303.07983	2.7
303.11261	9.6
305.09244	7.0
307.07397	4.9
307.10809	9.8
308.07928	7.2
308.11258	3.5
309.08667	8.7
309.11945	3.8
310.10300	2.9
315.11273	4.5
317.09311	6.5
318.10187	3.6
319.07364	5.7
319.10870	7.9
320.08893	4.5
321.08716	36.4
321.12192	4.7
322.09641	3.9
323.10251	61.9
327.12286	4.1
329.09143	4.2
329.13144	3.7
330.09985	5.1
331.10770	10.9
332.09061	4.0
333.08731	8.1
333.12399	4.6
335.10199	19.3
336.10995	20.5
337.11572	7.1
338.10254	5.6
339.09906	6.7
341.11188	11.9
343.10767	6.9
345.08743	4.9
345.12506	8.0
347.10263	8.3
348.08356	4.6
349.11859	6.5
351.10526	2.3
353.11646	6.9
355.13055	3.7
357.12680	9.3
359.10178	9.2
359.14709	9.0
361.11890	4.9
362.09021	4.3
363.09845	19.7
365.11487	13.3
366.09869	4.3
367.10672	2.2
371.10150	6.0
371.14362	8.1
373.11755	8.3
375.09634	4.5
375.13852	3.9
377.11252	8.4
380.11285	4.9
381.10812	27.3
382.11423	9.3
383.12405	21.2
384.10849	2.7
385.11774	3.5
387.14362	39.2
389.11356	6.8
391.12900	15.4
392.11310	3.3
398.12582	3.2
399.13245	5.1
401.11276	2.7
403.08917	3.6
407.12375	7.6
411.13278	2.7
413.13632	5.5
414.12408	2.9
417.10672	9.4
419.12299	10.7
427.13031	8.3
435.11639	20.7
436.12561	3.7
437.13382	6.7
441.14490	5.5
445.14362	5.0
449.13599	5.4
451.13797	3.0
455.12485	8.2
459.15408	6.7
461.16962	5.4
463.11234	31.0
464.12204	7.5
467.14496	9.6
469.14056	9.0
471.15607	9.5
477.12857	7.5
481.12387	4.8
487.14929	31.0
489.16821	16.6
495.13950	56.7
496.14594	8.4
497.13354	8.2
505.16037	29.4
507.17340	5.7
515.14453	60.3
519.17847	6.4
521.19208	4.2
523.16693	3.1
529.15948	6.8
533.15509	53.3
537.18665	4.6
539.20282	10.8
543.79572	2.6
547.17133	40.1
549.19476	8.3
551.16547	5.1
565.18103	100.0
566.18427	6.0
583.19177	33.7
713.22113	3.2
745.24792	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	744.4437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.4
56.05035	0.5
57.03421	0.2
58.06617	0.5
59.26244	0.1
60.08160	6.8
67.05488	0.5
69.07052	0.3
70.06588	0.2
71.04958	0.1
71.07368	3.6
79.05486	0.7
80.42596	0.1
81.03407	0.3
81.07050	0.7
83.04984	0.2
83.08617	0.2
83.92812	0.1
85.02907	0.1
86.09700	31.4
87.10028	0.3
90.58848	0.1
91.05488	0.9
93.07043	0.7
95.04951	0.2
95.08609	0.4
97.06519	0.3
98.21487	0.2
98.98459	3.6
104.10738	3.0
105.07031	0.8
107.04951	0.2
107.08584	0.4
109.10126	0.1
117.07000	0.3
119.08578	0.4
121.10130	0.2
123.08076	0.1
124.99995	20.5
125.09536	0.1
131.08536	0.3
133.10109	0.4
135.08014	0.1
135.11711	0.3
143.01059	0.3
145.10161	0.4
147.11708	0.1
149.09619	0.2
159.11746	0.2
163.11148	0.3
166.02678	0.1
184.07327	100.0
185.07704	1.2
227.12820	0.2
231.17455	0.2
247.16899	0.1
255.15984	0.1
275.20029	0.3
283.15533	0.5
287.05334	0.1
304.31055	0.1
440.38254	0.1
468.23761	0.3
547.32794	0.3
585.86835	0.1
596.33905	0.1
644.35791	0.2
686.57520	0.1
726.43549	0.6
744.44360	6.5
745.44617	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4453
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05042	0.8
58.06630	0.4
60.08165	6.0
63.42442	0.1
64.75610	0.1
67.05492	0.3
69.07043	0.2
70.06593	0.9
70.91454	0.3
71.06986	0.3
71.07374	3.3
71.31136	0.1
72.08128	0.1
79.05483	0.5
81.03393	0.2
81.07053	0.5
86.09705	32.2
87.10027	0.3
91.05489	0.6
93.07045	0.3
94.85478	0.1
95.04960	0.2
95.08596	0.2
97.06520	0.2
98.98466	3.3
104.10749	2.8
105.07043	0.2
111.40769	0.1
118.98714	0.2
119.08593	0.3
121.10159	0.2
125.00002	20.5
132.08057	0.2
133.10109	0.2
136.07593	0.3
143.01065	0.4
143.77486	0.1
159.09175	0.3
174.77029	0.1
184.07339	100.0
185.07648	0.7
265.00214	0.1
283.15576	0.3
287.05328	0.2
303.64069	0.1
689.72260	0.2
726.43604	0.2
744.44482	6.7
745.44415	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4728
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.7
53.83900	1.2
55.01859	4.9
55.05509	32.6
57.03436	25.3
57.07053	2.5
61.02906	5.3
63.36276	1.2
65.03925	3.4
67.05502	81.0
69.03421	6.7
69.07065	22.9
70.39509	1.3
71.04997	7.3
71.35846	2.5
73.02917	2.2
76.48933	1.4
79.05022	2.0
79.05489	66.6
81.03414	81.8
81.07051	83.2
81.37456	1.3
83.04977	24.4
83.08166	1.6
83.08620	31.4
85.02902	40.6
85.06538	3.8
91.03959	1.8
91.05478	59.0
93.07037	66.4
95.04967	38.1
95.08605	50.6
97.02882	5.5
97.06510	5.6
97.10155	8.7
99.08096	2.1
101.06040	1.2
105.04523	2.2
105.06313	2.0
105.07029	41.1
107.04971	7.0
107.08585	29.5
109.06527	9.2
109.10152	19.7
111.04403	2.6
111.08080	12.7
113.05998	3.0
115.05431	2.4
117.07008	6.5
119.04951	1.2
119.08578	31.2
120.04120	1.3
121.06468	1.9
121.10136	27.1
123.08083	3.1
123.11695	6.1
125.09607	2.5
127.07533	1.9
129.07013	14.4
131.08557	21.4
133.06483	2.6
133.10112	23.1
135.11688	11.4
137.09618	3.0
137.13251	2.5
142.07756	3.9
143.08455	1.4
145.10097	9.0
147.08054	3.5
147.11685	25.6
149.09628	9.0
149.13246	5.2
157.10124	20.3
159.11682	5.5
161.13266	3.9
163.11238	1.8
163.14847	2.6
165.12709	4.2
173.13274	4.1
175.11186	14.7
175.14864	1.7
184.07332	2.5
187.14847	1.8
193.12238	59.0
197.13333	1.7
207.37444	1.4
211.13281	85.9
243.21141	3.5
254.01489	1.3
261.22101	9.6
267.15912	18.1
271.77151	1.3
285.16940	94.5
286.17300	2.4
317.24866	3.3
335.25787	90.2
336.26059	3.6
435.32697	2.1
453.33759	2.6
527.37122	11.8
528.37177	1.5
545.38348	100.0
546.38879	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	742.4281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.2
56.05022	0.9
58.06604	0.4
60.08162	6.7
67.05486	0.3
69.07072	0.2
69.60841	1.3
69.72304	0.2
70.06565	0.2
71.07365	3.5
71.81985	0.2
79.05480	0.4
81.07046	0.5
86.09700	33.5
90.99043	0.1
91.05488	0.4
91.36716	0.1
93.07044	0.5
95.04963	0.2
95.08575	0.1
97.06560	0.2
98.98460	3.5
101.56807	0.1
104.10736	3.1
105.06991	0.2
107.08553	0.3
119.08545	0.2
124.99992	22.3
143.01035	0.5
161.37447	0.2
162.11211	0.2
184.07326	100.0
185.07706	0.4
186.77095	0.2
267.39032	0.1
269.80295	0.2
286.05087	0.2
287.05133	0.2
436.87128	0.2
442.00851	0.2
466.22101	0.3
656.14648	0.2
742.42865	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	742.428
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05031	0.9
58.06610	0.4
60.08163	6.6
67.05518	0.3
69.55847	1.4
70.06596	0.4
71.07367	3.5
79.05490	0.3
81.03381	0.2
81.07047	0.5
86.09705	32.4
87.10030	0.2
87.83398	0.2
91.05446	0.3
93.07053	0.3
95.08598	0.6
98.98464	3.4
100.47243	0.2
104.10739	2.4
117.50513	0.2
124.99998	20.7
143.01009	0.4
163.03807	0.2
166.02623	0.2
180.55943	0.2
184.07335	100.0
185.07707	0.4
211.92043	0.2
287.05289	0.3
406.09058	0.5
513.79547	0.3
534.31506	0.3
742.42914	6.1
743.42737	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4731
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.9
55.01865	2.8
55.05508	22.8
55.41272	1.1
57.03198	1.4
57.03435	16.2
57.07061	3.3
60.08157	1.8
61.02911	4.0
65.03928	1.6
67.05143	1.9
67.05504	53.2
69.03431	6.2
69.07063	13.9
69.41270	10.5
71.04982	4.0
79.05492	38.8
81.03416	41.0
81.07053	54.1
83.04972	11.9
83.08618	20.3
85.02901	17.6
85.06539	2.5
86.09699	8.0
91.05476	38.2
93.07041	44.3
95.04972	20.1
95.08604	37.6
97.02894	3.7
97.06514	4.3
97.10150	3.9
99.08040	1.6
105.04507	1.5
105.07027	26.2
107.04951	5.2
107.05702	1.4
107.08585	19.8
109.06508	4.3
109.10154	13.8
111.04417	2.1
111.08111	8.1
113.05951	2.2
115.05460	1.4
117.07008	5.6
119.08578	21.8
121.06439	1.6
121.10138	17.1
123.08041	2.7
123.11703	5.3
124.99950	3.2
125.09618	2.5
129.06987	8.5
131.08551	14.4
133.06534	2.0
133.10132	12.6
135.11710	9.4
145.10121	7.2
147.08035	2.3
147.11667	13.1
149.09618	4.4
149.13246	4.4
157.10110	13.1
159.11674	4.6
160.99791	1.6
161.13245	3.3
163.14838	1.7
165.12756	2.9
173.13264	3.6
175.11182	10.9
181.55450	1.5
184.07327	22.8
185.07698	6.4
186.07776	2.5
187.14853	1.8
193.12251	36.0
211.13281	45.1
211.15300	2.7
243.21104	4.4
261.22052	10.8
267.15945	10.8
285.16962	45.6
286.17032	2.0
317.24628	3.5
335.25778	91.0
336.26071	2.6
354.52414	1.3
414.54184	1.4
453.33282	2.4
513.98730	1.5
527.37390	12.2
545.38354	100.0
546.38373	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	742.4647
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05525	0.2
56.05029	0.7
58.06328	0.3
58.06632	0.5
59.07394	0.2
59.71712	0.1
60.08163	6.1
61.19283	0.1
67.05500	0.6
68.98430	0.2
69.39146	0.7
69.39565	0.5
71.07374	3.2
73.60072	0.1
79.05494	0.6
81.07046	0.6
86.09703	31.9
87.10036	0.4
91.05473	0.3
93.07066	0.3
95.04974	0.2
95.08610	0.4
97.06535	0.2
98.98455	3.0
104.10744	2.7
105.07051	0.2
107.08622	0.4
109.10177	0.2
124.99998	20.2
133.10086	0.2
143.01088	0.4
147.11723	0.2
184.07333	100.0
185.07669	1.0
259.09641	0.2
461.47681	0.2
518.32782	0.3
724.45502	7.3
725.45319	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	0.2
54.11199	0.1
55.01862	0.3
55.05493	0.7
62.45695	0.2
65.03944	0.2
67.01851	0.4
67.05502	1.3
68.99780	0.4
69.03412	0.4
69.07056	0.6
69.82130	0.7
70.45612	0.1
71.02592	0.1
71.04987	0.2
79.05161	0.1
79.05493	1.4
81.03412	0.7
81.06582	0.2
81.07050	1.8
83.04970	0.4
83.08593	0.3
85.02889	0.2
86.09666	0.3
89.03931	0.2
91.05486	1.0
93.07043	0.7
95.04962	0.6
95.08601	0.6
97.06522	2.0
105.07041	0.9
107.04935	0.4
107.08582	0.3
109.02883	0.3
109.06513	0.5
109.10155	0.3
115.05367	0.1
117.03471	0.2
117.06992	0.2
119.08566	0.5
121.06455	0.2
121.10125	0.4
123.08041	0.2
127.03937	0.3
129.06972	0.2
131.08583	0.3
133.10118	0.4
135.04413	1.3
135.11708	0.2
137.02332	0.6
141.06874	0.2
143.08611	0.2
147.11690	0.3
149.09578	0.2
149.13187	0.2
153.01825	4.5
159.11665	0.3
161.02327	0.9
165.01897	0.2
171.02881	1.1
173.05977	0.2
179.03400	0.4
184.07333	0.4
185.05919	0.2
195.13933	0.2
211.07492	0.1
217.04961	0.2
225.09109	0.2
241.04910	0.6
257.18820	0.2
269.04434	0.3
271.05945	0.4
275.20151	0.8
287.05484	100.0
288.05832	3.5
299.05496	1.8
323.05502	0.3
325.07071	0.3
329.06711	0.2
407.14600	0.2
421.20099	0.2
443.20947	0.7
449.10410	0.2
463.17084	0.3
503.27277	0.3
513.26068	0.3
515.24561	0.2
521.27899	0.2
531.27533	0.9
543.23779	0.2
549.28387	1.3
561.24188	0.7
579.25824	0.9
607.20258	0.2
687.27081	0.2
697.63049	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.2
54.10224	0.1
55.01863	0.2
55.05500	0.5
61.03180	0.1
67.01862	0.5
67.05505	1.1
68.99803	0.3
69.03420	0.2
69.07056	0.4
70.58022	0.3
77.53789	0.1
79.05489	1.2
81.03419	0.5
81.07052	1.3
83.04978	0.2
83.08610	0.4
85.02921	0.2
91.05465	0.9
93.07050	0.6
95.04954	0.3
95.08603	0.4
97.02898	0.3
97.06535	1.1
97.10167	0.1
98.20792	0.1
98.36241	0.1
105.07021	0.6
107.04945	0.3
107.08584	0.5
109.02878	0.4
109.06508	0.4
109.10128	0.2
109.81704	0.1
111.00751	0.1
111.04419	0.2
111.08066	0.1
111.74509	0.1
112.97816	0.1
117.07020	0.3
119.08608	0.6
121.06520	0.2
121.10110	0.3
123.08120	0.2
123.66322	0.1
125.09625	0.1
127.03873	0.3
128.06238	0.1
129.01811	0.2
129.06969	0.1
131.08575	0.3
133.10112	0.4
135.04411	1.6
135.11664	0.1
137.02373	0.6
143.08562	0.1
145.10103	0.3
147.07982	0.1
147.11681	0.3
149.09619	0.3
149.13243	0.1
151.07634	0.1
153.01816	4.4
155.08498	0.1
159.11693	0.3
161.02324	0.9
161.13257	0.1
163.03871	0.1
163.11174	0.3
165.01797	0.3
167.06830	0.1
171.02875	1.3
173.05997	0.1
173.09642	0.1
173.13260	0.1
179.03368	0.4
183.02899	0.3
184.07294	0.2
187.03787	0.1
195.13725	0.2
201.05383	0.1
203.03468	0.1
213.05482	0.2
215.06871	0.1
217.04895	0.2
219.06506	0.1
239.17917	0.2
241.04877	0.6
245.04468	0.3
253.77394	0.1
257.19040	0.2
263.05539	0.1
269.04376	0.4
271.05997	0.3
275.20084	1.2
286.04645	0.2
287.05475	100.0
288.05817	3.3
293.21024	0.2
299.05475	2.5
299.08118	0.1
300.05981	0.1
311.05423	0.2
313.07095	0.2
323.05490	0.2
325.07053	0.3
329.06384	0.3
337.06982	0.2
351.08539	0.1
367.11664	0.5
425.19629	0.1
434.09680	0.1
443.20557	0.3
449.10675	0.2
463.17288	0.5
481.18497	0.2
531.27173	0.4
543.23688	0.1
549.28381	0.7
561.24695	0.4
571.19812	0.2
571.94977	0.1
579.25903	0.7
589.20648	0.2
607.21399	0.2
609.21790	0.1
625.22638	0.3
637.31677	0.1
705.28986	0.2
723.29449	0.2
741.33295	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4702
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.2
56.05030	0.7
57.07059	0.2
58.06608	0.6
59.07386	0.3
60.08160	5.7
60.48232	0.1
67.05488	0.6
71.06992	0.2
71.07370	3.0
71.08627	0.2
71.36028	0.2
79.05492	0.3
81.07046	0.3
85.10183	0.1
86.09700	28.7
87.10015	0.4
95.08598	0.2
98.98454	2.4
104.10738	2.0
105.07026	0.1
107.08640	0.2
109.10149	0.2
111.04319	0.1
124.99992	19.8
143.01048	0.2
166.02640	0.2
184.07326	100.0
185.07689	0.9
222.08948	0.2
287.83673	0.1
294.43805	0.1
335.25723	0.4
340.81818	0.1
350.07266	0.1
496.33920	0.2
543.36804	0.2
555.53308	0.1
650.43872	9.2
651.44281	0.4
722.46014	0.3
740.46967	4.1
741.46899	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05560	1.3
59.21770	0.7
69.03490	1.1
69.92058	2.3
79.05539	1.2
81.03423	3.4
81.07116	1.1
82.99513	1.1
82.99931	1.4
83.04998	0.8
85.02969	1.5
95.05009	0.7
97.03004	2.5
98.97646	1.2
101.00988	9.2
103.00703	1.6
105.07089	1.0
107.04949	7.0
108.05369	0.8
109.02950	1.1
109.06638	4.4
113.00962	1.4
115.02502	1.0
119.01125	0.9
119.01917	27.1
120.02102	1.4
121.01655	5.5
127.02522	1.9
127.04028	0.9
129.04109	0.9
131.00192	0.7
131.01903	8.8
133.01797	1.9
133.03552	1.5
133.06638	2.3
135.04488	0.9
135.08044	7.7
137.02103	1.0
137.03094	2.8
137.06096	2.1
139.02602	1.7
141.04091	0.7
142.03592	0.7
143.01897	15.5
144.02097	1.2
145.01808	2.7
145.02357	1.0
145.03445	10.5
146.03618	0.8
147.03331	2.8
149.01282	1.7
149.03113	1.5
151.07704	1.2
153.04071	1.0
155.01881	10.5
156.03748	1.7
157.01782	1.0
157.02148	1.0
157.03458	6.8
159.03358	1.0
161.01161	1.0
161.01457	1.0
161.02954	21.3
162.03252	0.9
163.02881	2.6
163.04715	1.3
165.04221	1.1
167.01932	6.1
169.01929	0.9
169.03658	3.6
171.05019	4.5
173.01553	0.8
173.02966	20.3
174.03189	2.0
175.02724	3.4
175.04659	2.2
179.02008	2.0
179.07013	21.5
182.03609	0.8
183.03658	1.3
183.05225	3.4
184.04688	1.5
185.02959	30.2
185.06660	1.1
186.03275	2.1
187.02905	5.2
187.04710	3.9
189.04407	1.4
191.04079	1.0
193.07225	1.4
195.05177	1.8
196.04849	0.9
197.02953	12.9
197.06847	1.2
198.03194	1.1
199.02957	1.8
199.04662	1.6
199.08360	1.5
201.04446	0.9
201.06238	1.0
203.03992	10.1
204.04208	1.0
205.03896	1.4
207.05278	2.1
209.01474	0.8
209.03091	3.6
209.04875	1.7
209.06554	6.5
210.07045	1.3
211.04744	1.0
211.06514	2.3
211.08356	4.4
213.06335	2.7
215.03979	9.4
217.03961	1.9
219.05057	4.4
221.04956	4.7
223.04840	1.9
223.08238	5.1
225.06133	5.4
227.04077	7.0
228.05882	5.2
233.03172	3.2
233.06825	2.5
234.03375	1.9
235.02661	4.9
235.08266	6.9
237.02527	0.9
237.06123	9.6
239.04129	1.7
239.07875	1.3
241.05908	1.4
242.05928	0.9
243.05263	1.6
243.07330	7.7
245.02655	2.5
245.05051	62.2
246.05351	4.5
247.04893	11.0
247.07594	0.9
249.06052	3.7
251.04016	3.6
251.07814	3.5
253.03645	0.9
253.09280	3.9
254.05843	1.0
255.07402	3.4
257.05020	4.7
259.04785	1.0
261.06137	6.1
263.06039	7.9
265.06168	1.3
265.09332	0.9
267.07059	4.0
273.08426	2.6
275.06207	6.6
277.06039	2.2
279.07175	19.3
280.08047	0.9
281.08701	0.8
284.07050	1.1
285.08588	1.4
291.07248	1.4
293.07379	1.8
295.06650	6.9
296.06812	6.9
297.08392	100.0
298.08505	3.1
299.06216	1.2
305.07181	5.6
307.07001	1.6
309.08264	3.7
311.06168	1.1
311.09875	2.3
313.07974	1.5
314.08069	1.6
315.09329	10.8
318.09006	2.8
320.09982	3.2
321.08322	1.9
327.09543	3.1
335.08447	2.0
337.07809	1.7
338.08282	1.6
339.09186	10.9
351.11365	1.5
355.12488	1.7
357.10278	17.7
357.14291	1.2
365.09247	4.4
367.10745	2.1
369.10263	10.7
369.14340	0.8
373.13855	1.4
375.11688	1.9
380.12311	1.2
381.10300	4.7
397.09564	0.9
398.10269	1.4
399.11371	46.4
400.11859	1.5
415.11053	1.6
416.11401	2.4
417.12177	28.7
435.13330	5.2
440.13971	1.4
441.12534	6.1
457.12247	2.5
458.12137	4.7
459.13168	58.4
460.13400	1.7
471.13190	5.8
477.14526	29.0
478.15179	1.5
489.14441	5.0
500.16153	2.6
501.14761	1.6
519.15576	4.9
561.16400	12.8
579.17383	5.4
741.22986	26.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4573
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.0
54.16745	0.8
55.01865	3.5
55.05507	10.3
57.03432	6.5
57.07053	1.4
59.04994	1.0
60.08157	6.0
61.02921	2.3
61.08494	0.9
62.30340	0.7
65.03933	1.4
65.36496	0.8
65.78143	0.8
67.05505	23.7
69.03398	1.1
69.07085	5.7
70.63155	0.7
71.01345	0.9
71.04993	2.1
71.07379	3.9
71.08618	0.7
79.05071	1.5
79.05489	16.7
81.03417	4.9
81.03810	1.0
81.06594	1.8
81.07054	25.5
81.07535	1.5
83.01350	3.7
83.04984	5.0
83.08619	6.5
85.02923	4.4
85.06553	1.5
86.09702	32.6
87.10034	6.3
91.03947	1.1
91.05471	11.5
93.07040	23.9
95.04947	4.1
95.08604	17.7
97.02900	2.1
97.06535	3.7
97.10155	2.1
98.20646	1.6
98.98456	2.6
99.08054	0.9
104.10755	1.9
105.07027	8.1
107.04947	2.9
107.08589	12.8
109.06522	4.1
109.10160	7.1
111.04490	1.1
111.08094	1.4
111.11652	1.1
114.63493	0.9
117.07034	3.7
119.08566	6.7
121.06474	1.8
121.10139	10.7
123.08065	3.2
123.11694	2.4
124.99994	20.1
125.09640	1.7
126.00315	1.7
127.00426	2.5
129.07018	1.0
130.07764	1.1
131.08537	5.2
133.10150	4.6
135.08093	1.0
135.11687	8.9
145.06441	1.1
145.10139	9.2
147.04390	2.0
147.07970	1.0
147.11684	3.5
149.13237	2.7
151.11224	1.0
153.12738	1.8
159.11670	2.7
161.13242	1.8
162.44278	0.8
163.11156	9.3
163.14833	2.0
173.13277	1.5
175.14845	0.9
181.12140	0.9
184.07333	100.0
185.07687	25.8
186.07776	12.0
187.14877	1.4
209.11752	2.8
227.12781	4.4
243.21121	2.9
259.20401	1.0
261.22116	8.3
273.11169	0.9
283.15384	45.4
299.23776	2.3
335.25803	45.3
336.26016	1.9
451.31967	1.1
469.32919	1.0
524.61285	0.8
525.35565	2.0
543.36829	31.7
544.37524	1.3
561.38135	1.3
599.49805	1.7
690.46307	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	740.4575
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.8
55.01872	7.6
55.05276	1.6
55.05515	21.5
57.03439	18.5
57.07077	3.9
59.04996	3.4
60.06470	0.7
61.02925	6.4
65.03956	3.8
67.05508	58.2
69.03425	3.3
69.07074	14.1
69.28775	7.4
71.01358	1.5
71.04995	3.9
71.08639	1.1
73.02920	1.7
79.05495	44.8
81.03419	12.2
81.07059	57.0
83.01347	9.1
83.04979	9.7
83.08617	16.1
85.02908	8.0
85.06510	2.1
86.09702	2.9
90.58339	0.8
91.03963	2.7
91.05482	26.1
93.07045	59.4
95.04976	9.6
95.08611	40.7
97.02896	5.0
97.06527	5.5
97.10164	4.6
98.15706	0.9
98.21130	3.9
99.04450	3.8
99.08115	0.9
105.04493	0.9
105.07031	18.4
107.04963	6.2
107.08597	33.7
109.06514	6.6
109.10164	17.1
111.04451	2.5
111.08082	2.7
117.07016	10.6
119.08585	16.4
121.06507	2.9
121.10149	19.9
123.08051	8.3
123.11690	5.5
124.99998	2.2
125.06016	1.2
125.09634	3.3
129.07053	2.5
130.07797	1.0
131.08563	11.6
132.98610	0.8
133.10130	10.3
135.08070	2.2
135.11691	20.7
137.09622	1.9
143.08545	2.0
145.06508	1.2
145.10124	20.1
147.04413	1.0
147.08040	2.3
147.11726	4.7
149.09641	0.9
149.13286	7.0
153.12762	3.3
155.08559	1.8
157.10159	1.2
159.11691	5.9
161.13280	3.9
163.11172	22.7
163.14833	2.9
165.12743	0.8
169.10175	0.9
171.11685	0.9
173.09633	3.0
173.13303	5.3
175.14832	1.8
177.12746	1.0
177.16396	1.4
181.12306	3.7
184.07361	9.5
187.14830	2.9
189.11227	1.7
191.10738	2.7
193.12323	1.1
201.16371	2.2
209.11734	7.1
211.13231	1.0
227.12778	9.8
233.22527	1.1
243.21068	6.0
259.20612	1.4
261.22168	18.4
267.16003	1.5
283.15405	100.0
284.15720	2.2
299.23685	3.6
317.24835	5.0
327.44751	0.9
330.20715	0.8
333.24207	1.8
335.25809	96.3
336.26126	3.1
354.39624	0.8
358.31842	0.9
433.31067	1.4
451.31958	2.9
454.70206	1.0
469.33246	1.9
525.35724	2.9
543.36816	68.1
544.37177	4.0
561.37738	1.8
583.61700	0.9
740.40753	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65839	0.1
53.03923	0.2
55.01866	0.4
55.05516	0.7
57.03416	0.4
62.60244	0.1
65.03939	0.2
67.01846	0.4
67.05508	1.4
68.99804	0.6
69.03409	0.4
69.07072	0.7
69.25558	1.5
71.04964	0.2
75.59885	0.1
79.05480	1.6
81.03414	1.1
81.07060	1.4
83.04982	0.3
83.08599	0.4
86.09704	0.1
89.03893	0.2
91.05492	1.1
93.07042	1.1
95.04946	0.6
95.08591	0.6
95.22385	0.1
97.02873	0.3
97.06511	0.5
97.10165	0.3
97.94566	0.1
105.07045	1.0
107.04942	0.5
107.08605	0.8
107.09203	0.1
109.02859	0.5
109.06489	0.9
109.10141	0.4
111.04397	0.2
115.05422	0.1
117.07015	0.5
119.08553	0.6
121.06484	0.3
121.10121	0.2
123.08034	0.3
125.09626	0.3
127.03925	0.3
129.01819	0.1
129.06973	0.4
131.08539	0.6
133.10147	0.3
135.04373	1.4
135.08031	0.7
135.11658	0.2
137.02338	0.6
143.08490	0.2
143.68657	0.1
145.10081	0.4
147.08043	0.3
147.11713	0.2
149.05954	0.1
149.09610	0.3
149.13234	0.2
151.80026	0.1
153.01814	4.9
157.10121	0.2
159.11671	0.3
161.02306	1.0
161.09587	0.3
163.11169	0.1
171.02875	1.3
173.09477	0.1
175.11171	0.2
177.12721	0.1
179.03410	0.5
184.07318	0.3
185.21156	0.1
193.12328	0.2
213.05391	0.2
221.39316	0.1
223.13307	0.4
228.05956	0.1
241.04929	0.8
241.43250	0.1
245.04417	0.2
255.06323	0.2
259.06152	0.1
267.15887	0.1
269.04504	0.4
270.05115	0.2
271.06030	0.3
273.18512	0.6
275.19955	0.3
286.04657	0.3
287.05475	100.0
288.05807	1.8
291.19528	4.4
292.19888	0.2
297.03952	0.6
299.05606	0.8
301.06970	0.2
302.07693	0.1
313.07159	0.2
329.06430	0.3
334.11115	0.1
339.08701	0.5
355.28519	0.2
407.14795	0.9
559.23236	2.2
559.36493	0.2
577.24286	4.6
721.28204	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4568
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.4
55.01858	2.8
55.05511	12.6
57.03435	7.2
57.07063	2.5
58.06599	1.2
60.08151	4.5
65.03927	1.9
67.05505	44.5
69.03410	1.8
69.07069	11.1
69.29263	10.5
71.04976	2.3
71.07362	2.6
79.05488	36.9
79.69516	1.1
80.05827	1.7
81.03394	1.5
81.07050	44.6
83.04975	3.4
83.08619	9.3
85.02881	1.7
86.09709	22.4
90.25640	1.1
91.05488	14.1
93.07041	41.1
95.04962	6.8
95.08601	45.5
97.02875	1.8
97.06505	3.5
97.10153	2.2
99.04411	2.0
101.06040	1.1
105.04520	1.3
105.07013	11.5
107.04936	5.8
107.08591	28.6
109.06516	2.2
109.10143	10.5
117.07018	7.4
119.08579	13.1
121.06486	4.9
121.10140	17.2
123.11662	2.4
124.99992	15.3
125.05994	1.9
130.07823	1.6
131.08548	4.4
133.10118	5.3
135.08028	1.3
135.11691	38.4
143.08568	1.5
145.10114	22.1
147.04402	1.2
147.11671	2.7
149.13246	4.3
153.12698	1.3
161.13179	1.8
162.65504	1.2
163.11183	44.9
175.30400	1.2
181.12186	5.5
184.07338	77.5
185.07695	2.9
185.30571	1.2
227.12767	52.0
228.13216	1.7
240.68639	1.1
243.21021	3.5
261.21988	8.4
283.15387	53.0
317.24741	1.6
335.25784	100.0
336.26114	4.1
362.90497	1.2
452.33734	1.2
543.36780	75.6
544.37170	6.5
599.50092	2.2
650.43854	6.3
740.45825	3.3
766.46240	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.4905
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05029	0.7
57.07059	0.1
58.06634	0.4
60.08159	5.3
71.07365	2.6
78.83150	0.1
81.03419	0.2
86.09698	26.0
86.87175	0.1
87.10008	0.2
95.08629	0.1
98.20718	0.2
98.97803	0.1
98.98455	2.5
104.10737	2.0
124.99991	17.5
143.01065	0.1
184.07323	100.0
185.07654	0.9
494.32138	0.1
496.33890	0.2
688.45386	7.2
689.45795	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.4
53.42773	0.5
57.03408	0.6
58.47993	0.5
58.99849	0.6
69.03394	1.5
71.06985	1.1
73.02883	0.9
77.00890	1.2
79.05477	0.7
81.03410	7.6
81.18495	0.5
82.99830	1.0
85.02919	3.3
86.99312	0.5
91.05476	0.6
95.04948	0.8
97.02863	2.3
101.00875	9.8
101.36852	0.5
105.07039	0.7
107.04950	22.7
109.02846	1.1
109.06487	0.6
113.00879	1.1
115.02412	0.6
117.03355	0.6
119.01920	29.6
120.89108	0.4
127.02390	1.7
127.03870	1.2
131.01065	0.7
131.01910	8.7
131.04836	0.8
132.95784	0.7
133.03436	1.7
133.06496	3.3
135.04411	3.6
137.01924	1.0
137.02917	4.0
139.02409	1.2
142.03476	0.8
143.01900	13.7
145.03499	9.8
145.04756	0.9
147.01393	1.5
149.02908	1.1
149.04453	1.3
149.05872	0.6
155.01880	10.7
157.03459	8.3
158.03476	0.5
161.02953	19.1
163.03839	9.2
164.04204	1.2
165.03926	0.9
167.01881	4.4
167.05521	1.4
169.03433	2.8
170.99567	0.6
171.01387	0.7
171.05008	3.3
171.25311	0.6
173.02957	19.3
173.53006	0.7
174.96756	0.5
175.02628	0.5
175.04567	2.6
179.01837	2.0
179.05479	1.4
181.02007	0.5
181.03450	2.0
183.01425	3.6
183.04993	4.0
184.04622	0.6
185.02950	29.3
185.06548	1.8
186.03351	0.4
187.02983	0.6
187.04485	3.5
189.04030	1.0
191.02083	1.0
191.03870	1.4
191.05513	2.4
193.03491	0.7
195.04930	1.6
196.04591	0.7
197.01181	0.4
197.02945	11.3
197.06566	2.6
198.03076	0.5
198.96738	0.6
198.98529	0.7
199.04535	3.0
201.00717	0.8
201.05989	0.8
203.03983	10.6
205.03430	1.0
207.01358	3.7
207.05003	6.2
208.04503	1.0
209.02948	2.2
209.06595	16.3
211.04443	1.2
215.03998	7.5
217.03554	0.7
217.05617	0.6
219.01454	3.5
219.05025	1.2
220.06773	0.9
221.02879	1.4
221.04913	6.2
223.04541	6.6
223.08081	1.2
225.02420	2.0
225.05940	2.6
227.04033	5.8
227.07599	2.8
229.05510	1.2
233.02950	26.0
233.06386	2.9
234.98984	0.9
235.04518	4.4
237.02515	3.5
237.06065	1.3
239.04002	1.3
241.05563	14.0
241.09344	0.7
242.05817	1.0
245.05070	49.3
246.05205	1.6
247.04390	0.8
247.06619	2.0
249.02394	0.7
249.06128	3.2
251.04015	8.7
251.07457	2.5
253.05577	8.7
257.05063	2.7
259.04535	0.9
261.02728	0.7
263.03766	0.6
263.06152	6.2
264.07132	0.5
267.07050	1.5
271.06625	1.9
273.04523	4.0
275.06119	6.3
277.00009	2.0
277.05411	8.5
283.06619	3.0
293.07416	0.8
295.06613	100.0
296.06949	3.9
305.07169	4.5
307.01181	1.1
309.04449	3.9
309.08163	4.2
310.09998	0.7
311.06277	0.6
313.07672	20.5
318.08188	5.8
327.09244	1.0
335.08438	1.1
337.07657	25.4
338.07748	1.2
347.08374	0.6
353.07211	1.2
355.08670	3.6
365.09302	2.7
377.96368	0.6
378.10138	1.0
391.06406	0.8
397.04764	1.3
397.09735	19.1
398.09805	0.9
415.10837	41.2
416.11206	1.9
433.11838	1.8
438.12396	0.7
439.12708	1.4
440.56546	0.6
456.13400	1.5
457.11917	77.6
458.12204	3.6
469.11844	5.7
475.12943	5.1
477.34814	0.6
481.12097	0.8
487.13049	2.0
498.14706	0.6
501.14871	0.6
511.13147	0.6
517.14044	0.8
529.14355	0.6
541.13989	1.1
559.14996	9.7
577.16125	3.4
739.21570	10.1
740.21423	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79681	0.4
52.34009	0.4
52.47501	0.5
53.03940	0.6
53.90018	0.5
55.01875	0.5
65.03934	1.3
67.21854	0.5
69.03425	1.3
69.35740	2.3
69.36171	2.0
70.06573	1.0
77.01562	0.5
79.05502	1.2
81.03401	1.2
85.02886	2.7
91.05468	4.6
94.04185	2.0
95.04961	2.1
97.02888	1.8
103.05468	5.8
104.58247	0.5
105.07030	3.0
107.04950	1.4
107.60996	0.5
108.05752	0.6
109.02905	0.9
109.06516	0.8
109.10161	0.6
115.05438	1.3
117.07014	0.8
119.04956	4.2
121.06522	2.4
122.03632	5.1
123.04452	0.6
123.08084	0.7
124.03967	0.6
125.05947	1.0
127.03882	1.4
128.06236	1.0
129.06984	2.0
131.04926	9.0
131.08493	0.8
133.02866	1.7
133.06473	8.9
135.04453	0.7
135.08051	2.8
137.05972	100.0
137.09587	1.4
138.06299	1.4
141.07007	1.2
143.04968	0.7
143.08600	1.1
145.06488	2.7
146.03625	0.6
147.04401	4.6
147.08031	1.3
149.05971	2.9
150.06790	0.5
151.03917	0.8
151.07544	13.4
153.05455	3.5
153.06581	0.4
157.06490	1.5
159.08028	1.7
160.05205	1.4
161.05977	10.4
161.09613	0.6
162.06752	1.1
163.03893	0.6
163.07539	20.3
165.05492	0.9
165.06885	1.1
165.09103	2.0
167.06995	1.1
167.08478	0.8
169.06493	0.8
171.08041	1.5
173.05896	0.8
173.09534	0.7
174.06766	2.0
175.07538	10.3
177.05478	1.6
177.09106	1.2
179.07065	2.6
179.08392	0.6
181.06503	0.7
186.06807	0.6
187.07515	4.0
188.08241	1.0
189.09059	5.6
191.07004	1.7
191.10744	0.6
193.06557	1.1
194.07285	0.6
195.08032	1.2
197.06116	0.5
199.07553	0.9
201.09076	2.6
203.07019	1.2
203.08896	0.5
203.10724	2.4
209.05820	0.6
211.07326	0.7
212.08412	0.6
213.09137	1.6
218.07251	0.5
219.10129	5.3
221.06042	1.1
222.06783	0.7
223.07544	0.9
224.08279	0.8
225.09120	0.8
227.07051	0.6
227.10648	2.3
233.09645	1.4
239.10797	1.2
241.08664	0.5
249.09192	0.7
250.09821	0.8
251.10721	0.5
253.08524	1.4
255.10109	1.5
261.09146	1.3
263.10663	0.9
265.08478	1.2
265.12549	0.7
267.10168	0.9
269.11670	0.6
283.13333	0.7
285.11197	1.6
287.12772	4.5
293.11652	0.7
295.13248	4.6
297.11273	1.3
299.09247	1.0
299.12662	1.4
307.33289	0.6
311.12912	2.5
313.14188	0.7
325.10904	0.8
325.14368	1.7
327.12509	0.5
327.15900	13.0
329.13623	0.8
331.11945	1.3
337.14340	0.6
343.15439	0.7
345.16943	1.3
351.15884	8.2
363.15912	1.0
369.17001	4.6
381.17114	1.5
421.71011	0.5
443.18378	0.6
475.21320	3.2
481.38596	0.6
487.21680	0.8
493.22571	3.4
505.22128	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.4752
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.3
56.05033	0.7
58.06627	0.5
60.08163	6.8
67.05501	0.4
71.07375	3.5
71.08607	0.2
71.52640	0.2
72.76527	0.1
75.81043	0.1
79.05504	0.2
81.07045	0.3
83.08646	0.2
84.36561	0.1
86.09703	31.3
91.05515	0.2
95.08594	0.4
98.98465	3.1
104.10739	2.8
107.08607	0.2
124.99999	21.6
143.01085	0.4
163.11169	0.1
166.02509	0.2
177.08296	0.2
184.07335	100.0
185.07652	0.3
204.10217	0.1
206.19063	0.2
263.85110	0.1
304.16666	0.3
313.27139	0.2
358.32620	0.2
374.30396	0.1
400.22372	0.3
451.07306	0.2
496.34183	0.3
498.25299	0.2
579.70752	0.2
656.60352	0.2
704.43945	0.2
736.47534	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	738.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.8
55.05522	1.0
65.03943	0.8
67.05502	9.3
69.03420	2.0
69.07046	0.7
69.70933	3.2
71.05021	0.7
79.05460	0.8
81.03413	6.9
81.07051	3.8
85.02901	3.5
87.89552	0.5
91.05481	11.7
93.07043	2.3
94.04189	1.0
94.19934	0.5
95.04959	2.0
95.08604	3.4
97.02893	2.5
97.66595	0.5
98.20802	0.8
99.04425	1.2
99.08115	0.7
107.04977	1.1
107.08602	1.5
109.02867	9.4
109.06521	0.9
109.10153	23.1
111.04421	0.8
119.04940	28.9
119.08581	1.7
122.03672	3.4
125.06010	1.3
127.03897	4.0
135.04410	0.8
135.08069	1.0
137.05977	100.0
137.09607	58.5
138.06331	1.4
138.09946	1.1
147.04404	58.6
150.12440	0.6
151.07552	2.6
155.10695	4.3
163.07503	0.9
164.04646	0.6
165.09109	72.9
166.09419	0.9
167.07013	0.7
170.31134	0.5
174.42523	0.6
179.07030	45.6
180.07384	0.6
183.10144	6.2
188.07173	0.8
197.06282	0.7
197.08080	9.9
201.11198	6.7
217.12111	0.8
257.08417	0.6
263.12616	0.7
273.10995	0.6
291.12280	9.6
309.13309	33.6
327.14346	5.4
345.15289	1.7
619.44226	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.7
57.74463	1.4
59.18812	1.3
61.02914	2.0
64.12630	1.4
67.05505	1.4
69.03428	3.4
70.06602	2.6
71.51372	1.7
77.62460	1.4
79.05483	4.3
85.02889	6.3
86.09695	2.3
87.04422	2.1
91.05485	14.2
93.07018	2.8
95.04984	8.4
97.02890	2.8
98.32935	1.4
103.05472	5.5
105.07008	5.2
107.04945	13.0
109.06512	2.0
115.05405	3.4
117.06990	4.0
119.04951	11.7
121.02837	2.3
121.06499	6.8
122.03649	4.2
123.04413	5.1
128.06226	1.6
129.07005	5.7
131.04942	8.2
131.08549	1.7
132.05701	1.5
133.02890	7.0
133.06497	3.3
133.10161	1.5
134.03664	1.4
135.04417	2.8
135.08035	2.4
137.05981	81.4
137.09576	2.2
138.06348	2.2
139.03871	2.0
145.06483	4.4
146.03549	1.7
146.07231	2.3
147.04422	7.3
147.08011	2.2
148.05148	2.3
149.05963	8.7
151.03908	4.8
151.07547	36.3
153.07063	1.6
157.02119	1.6
157.06462	6.1
159.04529	1.6
159.08034	2.1
161.05980	79.2
161.09616	13.6
162.06648	3.5
163.07564	11.8
165.05452	4.1
165.07002	5.0
165.09163	3.6
165.57564	1.3
167.07051	4.7
167.08559	4.0
174.06747	6.0
175.07523	23.1
177.05521	2.4
177.09116	7.5
178.07637	2.4
179.07007	7.5
179.08440	2.1
181.06528	3.9
181.08594	2.1
185.05966	1.9
187.07475	3.9
189.09099	37.2
190.07632	1.9
191.08601	3.9
193.06525	3.3
193.08583	1.7
194.07280	2.4
195.08047	11.7
195.10170	6.7
197.09586	1.5
199.07391	2.2
205.06491	3.6
207.08051	4.6
207.10144	49.0
209.05905	3.2
209.09727	1.5
210.06708	4.1
211.07491	4.1
212.08382	2.1
213.09093	1.9
218.07338	1.8
219.08046	13.5
219.10167	46.6
221.06024	6.6
221.09508	3.6
222.06688	3.3
223.07535	5.8
223.11108	4.0
224.08311	4.1
225.09087	8.8
227.07033	4.6
227.10725	5.6
233.09641	3.5
234.06760	2.6
235.07454	5.3
236.08293	3.9
237.05388	2.3
237.09143	10.3
238.06235	2.2
239.06995	5.8
239.10681	2.7
240.07724	4.5
241.08606	4.7
242.09312	2.0
247.07565	7.6
248.08340	3.2
249.05418	1.8
249.09169	4.6
250.06284	2.0
251.06984	8.6
251.10689	7.1
252.07913	1.9
253.08589	25.4
253.11382	2.0
253.12433	2.9
255.06561	8.5
255.10118	7.3
261.08994	2.3
263.10718	2.3
264.07870	3.0
265.08554	18.3
266.09561	1.7
267.10187	9.4
268.07339	2.6
269.08017	5.2
269.11499	2.4
270.08911	9.1
277.08557	7.0
279.10211	14.4
280.10617	2.1
281.08200	2.7
281.11639	3.2
283.09644	13.7
283.12961	3.2
284.10077	2.2
285.11261	12.3
285.14224	2.1
287.12680	6.1
289.60101	1.6
295.09692	4.6
296.10455	7.1
297.11249	45.3
298.11743	3.1
299.12732	3.4
305.11346	2.4
309.11072	7.1
311.12845	19.0
313.11002	2.7
313.14368	6.9
315.12189	8.1
317.13980	1.7
323.12683	5.7
327.12424	2.9
329.13834	100.0
330.14209	2.7
331.15402	29.6
337.14325	7.7
341.14014	8.1
341.26703	1.6
342.14435	2.7
343.15381	4.2
349.14307	3.4
355.15381	34.8
360.15625	2.7
367.15463	17.6
461.19754	8.9
475.38931	1.6
479.20694	23.5
491.20694	9.4
509.21893	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	734.4959
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.1
56.05044	0.7
56.18979	0.1
57.07065	0.3
57.36610	0.1
58.06620	0.5
60.08160	5.9
62.67875	0.1
62.71916	0.1
67.05501	0.2
71.06991	0.2
71.07370	3.4
71.08643	0.2
71.11954	0.2
71.12284	0.2
81.03404	0.1
81.07047	0.2
86.09701	30.2
87.10018	0.3
91.05468	0.2
95.04947	0.2
95.08586	0.2
98.98456	2.9
104.10727	2.4
109.42094	0.1
119.55885	0.1
124.99992	21.5
132.42668	0.1
143.01041	0.3
166.02690	0.2
184.07329	100.0
185.07796	0.8
229.35049	0.1
331.01248	0.1
734.49561	5.6
735.50372	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.4
53.70040	0.6
55.01857	1.7
55.05501	0.8
59.04987	2.0
63.80884	0.6
67.05505	3.5
69.03413	1.4
71.01351	2.3
71.04967	0.8
71.51335	1.2
73.65148	0.7
79.05069	1.2
79.05489	11.5
81.03416	3.7
81.07044	2.1
83.04959	1.1
85.02899	1.9
91.05479	7.4
93.07040	6.6
94.04177	1.8
95.04959	19.7
95.05572	1.0
95.08608	1.3
97.02888	2.8
97.06497	1.5
103.03981	1.0
103.05457	8.0
105.03417	1.6
105.07024	2.9
107.04948	100.0
108.05256	1.5
109.02870	37.4
109.06513	3.4
109.10143	1.4
115.05451	1.4
117.06998	1.2
119.04942	1.0
121.06510	8.4
122.03653	3.1
123.04425	5.6
125.02333	5.9
125.05980	1.9
127.03900	1.9
128.06198	0.7
129.06969	0.9
131.04916	8.2
131.08571	0.8
133.02797	3.2
133.06503	3.5
135.04410	2.4
135.08029	1.7
137.05969	45.9
138.06358	1.4
139.03888	11.6
139.07501	0.9
141.05482	2.9
141.06763	0.6
143.08594	1.0
145.06467	1.5
149.05978	12.5
151.03894	20.0
151.07526	4.6
152.04385	0.9
153.01820	9.7
153.05472	2.8
157.05005	0.8
157.06461	1.6
159.04404	2.2
160.05211	1.2
161.05920	1.5
163.03931	1.3
163.07523	8.2
165.05472	60.7
166.05821	1.5
167.07059	10.6
171.04468	1.0
171.08046	1.1
175.07568	2.8
177.05460	28.4
181.08597	1.0
184.07388	1.0
185.05966	0.8
187.07526	1.2
188.08160	0.8
189.09116	2.8
191.07016	2.3
195.06514	14.8
195.08231	1.0
197.05930	1.2
198.06691	0.8
201.09097	0.8
203.10651	2.2
209.06053	1.5
209.08072	24.6
211.09637	1.3
215.07074	0.7
219.10161	1.5
227.09097	11.6
259.09744	0.8
266.05850	0.9
267.06479	0.9
271.05917	0.9
295.06018	2.2
295.13321	3.1
297.04047	1.4
303.06638	3.9
307.06064	1.0
311.05493	2.6
321.03925	0.9
321.07639	1.3
323.05493	12.6
324.06134	1.7
325.06827	0.8
327.15765	3.3
331.05927	6.2
332.06729	1.0
335.05374	1.1
337.07169	1.9
349.07022	5.3
350.07721	8.3
359.14929	1.0
363.08243	1.0
364.57123	0.8
433.16415	12.7
434.16943	0.9
461.15939	44.4
462.16418	3.5
479.17090	11.9
480.17105	0.9
535.19598	16.8
553.20630	21.6
554.20715	2.2
571.21741	1.6
578.92395	0.7
715.25415	1.7
755.69733	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.4
53.70040	0.6
55.01857	1.7
55.05501	0.8
59.04987	2.0
63.80884	0.6
67.05505	3.5
69.03413	1.4
71.01351	2.3
71.04967	0.8
71.51335	1.2
73.65148	0.7
79.05069	1.2
79.05489	11.5
81.03416	3.7
81.07044	2.1
83.04959	1.1
85.02899	1.9
91.05479	7.4
93.07040	6.6
94.04177	1.8
95.04959	19.7
95.05572	1.0
95.08608	1.3
97.02888	2.8
97.06497	1.5
103.03981	1.0
103.05457	8.0
105.03417	1.6
105.07024	2.9
107.04948	100.0
108.05256	1.5
109.02870	37.4
109.06513	3.4
109.10143	1.4
115.05451	1.4
117.06998	1.2
119.04942	1.0
121.06510	8.4
122.03653	3.1
123.04425	5.6
125.02333	5.9
125.05980	1.9
127.03900	1.9
128.06198	0.7
129.06969	0.9
131.04916	8.2
131.08571	0.8
133.02797	3.2
133.06503	3.5
135.04410	2.4
135.08029	1.7
137.05969	45.9
138.06358	1.4
139.03888	11.6
139.07501	0.9
141.05482	2.9
141.06763	0.6
143.08594	1.0
145.06467	1.5
149.05978	12.5
151.03894	20.0
151.07526	4.6
152.04385	0.9
153.01820	9.7
153.05472	2.8
157.05005	0.8
157.06461	1.6
159.04404	2.2
160.05211	1.2
161.05920	1.5
163.03931	1.3
163.07523	8.2
165.05472	60.7
166.05821	1.5
167.07059	10.6
171.04468	1.0
171.08046	1.1
175.07568	2.8
177.05460	28.4
181.08597	1.0
184.07388	1.0
185.05966	0.8
187.07526	1.2
188.08160	0.8
189.09116	2.8
191.07016	2.3
195.06514	14.8
195.08231	1.0
197.05930	1.2
198.06691	0.8
201.09097	0.8
203.10651	2.2
209.06053	1.5
209.08072	24.6
211.09637	1.3
215.07074	0.7
219.10161	1.5
227.09097	11.6
259.09744	0.8
266.05850	0.9
267.06479	0.9
271.05917	0.9
295.06018	2.2
295.13321	3.1
297.04047	1.4
303.06638	3.9
307.06064	1.0
311.05493	2.6
321.03925	0.9
321.07639	1.3
323.05493	12.6
324.06134	1.7
325.06827	0.8
327.15765	3.3
331.05927	6.2
332.06729	1.0
335.05374	1.1
337.07169	1.9
349.07022	5.3
350.07721	8.3
359.14929	1.0
363.08243	1.0
364.57123	0.8
433.16415	12.7
434.16943	0.9
461.15939	44.4
462.16418	3.5
479.17090	11.9
480.17105	0.9
535.19598	16.8
553.20630	21.6
554.20715	2.2
571.21741	1.6
578.92395	0.7
715.25415	1.7
755.69733	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.306
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	0.7
53.03939	2.9
55.01869	1.5
55.05509	0.9
57.03429	0.6
59.04996	2.9
67.05497	2.7
69.03419	1.1
71.01344	2.0
71.05002	0.7
71.50054	0.7
77.03922	0.8
79.05489	9.3
81.03426	3.1
81.07054	2.7
82.27659	0.6
83.04978	1.0
85.02894	2.4
86.09679	0.6
91.05478	6.7
93.07041	5.8
94.04185	1.5
95.04964	17.3
95.08608	0.9
97.02882	2.0
97.06528	1.6
103.03952	1.0
103.05467	7.1
105.03368	1.7
105.04520	1.0
105.07053	2.8
107.04952	100.0
107.08603	0.9
108.05282	1.2
109.02877	33.7
109.06502	3.2
109.10130	0.6
111.04438	1.4
117.07071	0.8
119.04933	0.8
121.06504	9.1
122.03631	3.4
123.04418	5.3
125.02376	4.2
125.06025	1.3
127.03927	1.2
131.04906	5.9
133.02876	2.8
133.06468	5.1
135.04407	2.3
135.08052	1.1
137.05974	39.1
139.03900	9.6
139.07501	1.0
141.05470	1.9
143.08525	1.6
145.06519	2.3
147.08133	0.7
149.05968	11.6
151.03900	19.1
151.07549	3.7
153.01929	0.6
153.05475	2.5
159.04430	2.1
160.05128	0.8
161.06004	0.7
163.03929	0.9
163.07555	5.6
165.05472	64.2
166.05798	1.1
167.07022	7.8
171.08070	0.9
174.06674	0.7
175.07544	2.1
176.36298	0.7
177.05463	29.3
181.08554	0.9
184.07352	1.1
189.09129	1.9
191.06999	1.8
195.06523	17.0
196.06847	0.8
203.10716	1.9
209.08090	26.4
219.10208	1.3
227.09106	13.7
257.04453	2.3
259.09647	0.8
271.05838	0.7
286.04721	1.1
287.05490	2.4
295.13318	2.5
297.11386	0.7
327.15945	2.6
475.09891	0.8
479.17007	2.3
553.20355	3.0
740.48572	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.4807
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.2
56.05034	0.5
58.06633	0.6
60.08165	6.5
67.05508	0.5
69.07072	0.2
69.54057	0.3
69.54468	1.1
70.06592	0.3
71.07375	3.9
81.03430	0.3
81.07076	0.4
86.09707	32.2
87.10033	0.2
89.06065	0.2
91.05477	0.3
95.08590	0.2
98.21169	0.6
98.98464	3.9
104.10739	2.4
105.07047	0.3
107.29861	0.2
125.00006	22.8
133.08559	0.2
143.01041	0.3
166.02670	0.3
184.07343	100.0
185.07646	0.8
193.12233	0.5
272.02393	0.2
276.95251	0.2
344.24234	0.2
367.60971	0.2
428.66196	0.2
522.35388	0.2
732.48193	4.6
733.47412	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.4805
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05027	0.8
57.07063	0.3
58.06364	0.2
58.06623	0.5
59.07380	0.2
59.48143	0.1
60.08162	6.7
60.73172	0.1
69.70319	0.7
71.07371	3.8
73.97151	0.1
79.05457	0.1
79.64996	0.1
79.65553	0.1
81.07061	0.3
86.09703	34.3
87.10008	0.1
95.08560	0.2
95.74500	0.1
98.98462	3.4
104.10735	2.2
113.49976	0.1
124.99999	21.2
143.01057	0.3
147.35063	0.1
166.02686	0.2
184.07333	100.0
185.07637	0.8
186.74878	0.2
205.12288	0.1
383.94077	0.2
419.20621	0.2
476.35867	0.2
543.46002	0.2
548.57355	0.2
732.35400	0.3
732.47974	5.1
733.47815	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	1.1
52.56967	0.9
53.03944	4.3
55.01871	2.0
55.05508	1.4
57.03421	1.1
65.68977	1.0
67.05489	3.3
69.03420	7.1
69.78874	0.8
70.53352	2.9
70.53743	0.8
71.01332	1.3
71.04990	4.5
77.03925	1.8
79.05487	9.4
81.03420	4.5
81.07059	5.3
83.04968	1.2
85.02908	6.0
89.07243	0.9
91.05473	4.8
93.07051	5.7
95.04967	68.4
95.08610	2.5
97.02885	13.7
97.06498	1.5
99.04436	3.3
103.05460	5.2
105.03402	1.0
105.04494	1.4
105.07030	5.7
106.81506	0.8
107.04953	51.1
109.02879	32.2
109.06498	5.3
111.04401	1.7
111.08079	12.9
121.06505	10.7
123.04425	16.0
123.05537	3.0
123.08052	2.4
125.02350	32.0
125.05987	5.1
127.03912	65.7
128.04253	1.1
131.04922	4.1
133.02811	1.5
133.06487	4.1
135.04440	5.2
137.05969	1.9
139.03903	5.5
140.04204	1.5
141.05478	2.5
145.04929	1.2
147.04390	3.1
147.17200	1.0
149.05989	18.3
150.06296	1.6
151.03902	100.0
151.07440	5.4
152.04251	2.3
153.05467	11.3
155.03377	2.0
156.03758	0.9
159.04393	2.7
161.05948	1.6
165.05472	2.2
167.03349	1.6
167.07043	2.1
177.05463	32.5
177.50325	0.8
178.05890	1.2
179.07016	15.8
179.08574	1.1
181.08517	1.7
183.06537	2.3
184.06877	1.0
195.06529	70.4
196.06880	2.7
197.08096	91.4
198.08386	1.0
204.72845	0.9
209.08095	1.9
213.07576	10.0
215.09169	3.2
227.09128	6.3
228.09474	3.4
251.09261	1.2
295.08170	1.3
321.09506	1.1
339.10730	5.9
341.12152	1.0
357.11755	7.5
359.13425	3.1
365.05432	1.4
491.15698	1.4
733.29932	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.7
51.74335	0.6
53.03950	3.3
55.01860	1.7
55.05503	1.2
61.02908	0.7
65.14546	0.6
67.05488	2.3
69.03428	6.3
69.39194	4.6
69.39598	1.2
71.01338	1.7
71.04986	1.4
79.05492	13.7
81.03415	6.0
81.07060	15.0
83.04965	1.0
84.28936	0.6
85.02912	4.5
91.05469	5.0
93.07038	5.7
95.04967	62.4
95.08604	1.4
97.02895	9.7
97.06518	1.3
97.95451	0.7
103.05473	7.3
105.04540	1.0
105.07033	9.3
107.04955	67.2
108.05297	0.7
109.02878	31.5
109.06517	10.0
111.80934	0.7
113.82655	0.6
119.04957	1.0
121.06502	12.1
123.04432	13.5
123.08054	1.7
125.02351	26.5
125.05992	4.3
126.02704	0.7
127.03898	4.8
131.04935	4.2
133.02872	2.7
133.06499	9.7
135.04439	3.4
135.08038	1.6
137.05988	2.8
145.04953	1.2
147.04347	1.1
149.05977	20.8
149.07155	1.3
151.03903	100.0
151.07500	7.4
152.04240	2.6
153.05470	10.6
159.04424	4.2
161.05975	10.7
163.03886	1.8
167.03445	0.9
167.07076	1.3
177.03889	1.0
177.05472	30.3
179.07031	46.4
186.35164	0.7
195.06535	65.4
196.06853	1.7
197.08127	10.0
213.07585	19.0
213.49957	0.7
215.03223	0.6
215.09149	2.2
295.07886	0.9
321.09607	3.6
323.11414	1.9
339.10721	3.6
341.12210	3.3
357.11682	5.3
359.13431	1.3
373.12872	1.2
391.13736	1.9
408.17542	0.8
517.16949	1.8
535.18030	1.6
537.77533	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.4807
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05033	0.8
57.03443	0.1
58.06623	0.4
59.07380	0.2
60.08164	6.3
66.83765	0.1
67.05483	0.3
69.07060	0.2
69.20452	0.1
70.06576	0.2
70.97346	0.2
70.97659	0.1
71.06986	0.2
71.07372	3.2
71.08639	0.1
76.73078	0.1
81.03413	0.1
81.07047	0.2
83.08608	0.1
83.17787	0.1
86.09705	30.4
87.10032	0.2
89.06022	0.2
89.12335	0.1
91.05458	0.1
93.07059	0.2
95.08594	0.1
98.98461	3.0
104.10738	2.1
110.11763	0.1
116.99506	0.1
124.38763	0.1
125.00001	21.0
133.08626	0.1
139.33325	0.1
143.01047	0.4
166.02716	0.2
172.62701	0.1
184.07338	100.0
185.07689	0.5
393.95316	0.1
402.79254	0.1
448.60248	0.1
468.24225	0.1
549.41858	0.1
593.59613	0.1
732.48059	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	731.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.8
55.01875	2.4
56.01836	1.3
59.04991	6.1
60.18976	1.2
65.03932	2.5
66.99178	1.4
67.05499	3.9
68.02643	1.6
69.03416	5.2
69.86626	8.5
70.06570	1.8
71.01340	3.9
71.04989	2.7
77.03934	2.5
79.05495	18.9
81.03404	7.4
81.07060	3.5
83.04990	2.2
85.02895	6.4
91.05476	14.1
93.07059	9.0
94.04183	2.1
95.04965	22.9
97.02932	3.8
98.21470	1.6
103.03954	2.0
103.05456	22.4
105.03337	2.3
105.07037	17.3
107.04948	63.3
109.02878	100.0
109.06511	9.7
111.04430	3.9
115.05474	3.8
117.07016	2.0
119.04958	6.7
121.06509	17.0
122.03661	2.6
123.04443	8.5
125.02354	7.8
125.05987	1.8
127.03900	4.0
128.06178	1.7
129.07021	2.8
131.04918	26.7
133.02844	4.4
133.06496	20.4
135.04398	6.0
135.08070	3.0
137.05972	77.9
138.06255	2.0
139.03896	33.0
141.05496	1.5
143.04907	1.4
145.06520	3.0
146.03653	1.5
147.04414	9.5
149.05974	30.9
151.03897	25.0
151.07536	11.5
153.05426	1.6
155.04904	2.5
157.06410	2.7
159.04399	5.6
160.05162	2.0
161.05969	15.8
161.09598	3.9
162.06818	1.9
163.07539	20.0
165.05472	55.0
165.06915	2.8
165.09132	11.1
167.07111	10.4
171.04427	5.6
175.07538	8.2
177.05466	71.1
177.09149	5.4
178.07669	1.7
179.06975	8.0
181.04921	1.6
181.08586	4.0
182.07158	1.7
183.06517	2.8
187.07584	5.6
189.05486	2.2
189.09140	8.9
191.07037	9.1
193.08589	4.7
195.06505	7.4
195.08109	1.8
197.05893	2.8
199.07571	2.0
201.09067	2.6
203.07040	4.7
205.06715	1.5
205.08615	4.6
207.08217	2.8
207.10153	6.1
209.08080	45.8
209.09959	2.8
211.07445	2.6
211.09538	2.2
213.05573	1.6
215.07033	4.3
217.08614	3.7
219.08151	2.4
219.10159	5.7
221.09705	1.7
223.07614	2.2
225.09122	2.4
227.07100	2.6
229.08383	1.6
231.09995	1.5
233.09683	2.3
235.07433	1.6
239.10680	1.7
243.10173	1.8
253.12282	2.0
255.06390	1.7
255.10036	1.8
265.08643	4.1
267.10159	2.6
279.10245	2.5
283.09680	2.2
285.07770	1.6
285.11130	6.3
291.10068	2.2
293.11795	1.9
297.11234	5.2
309.11130	7.1
311.12775	5.2
313.14328	3.8
315.12277	3.0
323.12506	2.7
325.14236	2.8
327.12115	1.7
331.15338	2.2
337.10666	3.2
341.13947	5.6
343.15247	2.2
355.11795	4.2
359.14954	3.5
463.17596	2.0
467.16953	2.8
469.05316	1.5
490.36655	1.5
603.72321	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.5
53.03934	3.0
55.01865	1.1
61.27567	0.8
65.03927	1.8
66.94273	0.7
67.05483	2.8
69.03423	3.7
71.01337	1.4
71.04967	1.3
77.03902	0.9
79.05492	6.4
81.03416	4.7
81.07045	2.5
83.59248	0.7
85.02897	3.8
86.00418	0.7
91.05468	4.3
93.07030	4.3
95.01307	0.8
95.04959	63.7
97.02886	10.9
98.21623	1.4
103.05447	6.1
105.04507	1.8
105.07016	1.6
107.04946	51.1
109.02864	23.8
109.06507	2.3
109.10178	0.9
111.04427	1.0
119.04912	1.4
121.06499	10.3
123.04420	14.8
125.02343	27.9
125.05968	3.9
127.03887	3.2
128.06146	0.8
129.07021	0.8
131.04913	5.1
133.02832	2.0
133.06465	1.0
135.04419	4.5
137.05963	6.0
145.04945	1.1
149.05966	16.3
151.03889	100.0
152.04337	0.8
153.05457	13.0
154.05807	1.1
158.62283	0.7
159.04391	2.0
159.07976	0.8
161.05948	1.4
163.07526	1.8
165.05463	1.0
165.09116	1.0
167.06998	5.8
168.07373	1.0
173.05928	0.7
175.07513	1.2
177.05458	30.6
178.05728	0.7
187.07494	1.8
193.08571	0.9
195.06512	74.6
213.07541	20.8
229.08463	0.8
230.44196	0.8
234.65063	0.8
247.07437	0.7
249.40601	0.7
295.08154	1.7
307.09772	1.3
308.10120	0.7
321.09866	2.3
337.11002	0.9
339.10632	6.7
340.12613	2.0
341.13168	1.0
352.12469	0.8
353.13303	0.9
357.11795	5.1
496.11911	0.8
731.30121	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.8
53.03944	3.9
55.01869	2.3
55.05503	0.8
57.03442	0.8
59.05005	9.2
65.03932	1.1
67.05509	5.0
69.03429	9.2
71.01368	7.1
71.04987	2.0
71.50953	1.1
77.03908	1.1
79.01840	0.9
79.05492	14.9
79.11273	0.8
81.03417	9.8
81.07054	7.0
83.01344	1.6
83.04975	4.2
85.02901	8.4
91.05478	10.1
93.07043	16.0
95.04970	23.4
95.08601	2.4
97.02901	7.1
99.04463	2.1
101.02381	0.8
103.03950	2.3
103.05473	8.9
105.03410	2.3
105.04462	1.0
105.07037	3.1
107.04955	66.7
107.08605	3.3
108.05315	0.9
108.82074	0.8
109.02881	100.0
109.06508	7.1
110.03175	1.7
111.04460	3.2
111.08077	1.3
115.05436	1.6
117.07040	4.7
119.08562	1.3
121.06503	19.2
123.04447	8.0
123.11716	2.7
125.02355	13.7
127.03904	6.2
127.24284	0.7
131.04932	10.4
133.02895	0.9
133.06506	1.5
135.04416	3.9
135.08049	16.8
137.06035	4.1
137.09625	5.8
139.03903	52.2
139.07545	0.9
141.05432	2.1
144.07986	0.7
145.05006	1.5
145.06468	1.0
147.04459	1.1
149.04788	1.8
149.05981	29.9
151.03905	24.2
153.05464	2.5
153.09143	3.7
159.04451	6.0
161.05933	1.1
163.06155	0.9
163.07541	20.7
165.05476	65.8
166.05872	1.6
167.03386	1.0
167.07056	13.8
169.12178	1.2
175.03951	1.0
175.07607	1.2
177.05470	86.1
178.05838	2.5
179.07094	1.0
181.08595	32.8
182.09024	1.1
183.06573	2.2
187.13332	0.8
191.06990	5.1
195.06541	13.3
199.09669	7.0
209.08092	80.5
210.08444	2.5
227.09212	2.4
269.06509	1.7
269.10037	0.9
295.08231	1.2
301.09171	3.5
321.09793	1.9
325.12820	3.0
339.10736	5.3
343.14059	1.0
353.12363	1.5
371.13223	1.6
467.09610	1.0
493.17191	1.0
501.17816	1.1
519.18872	1.2
599.86102	0.9
684.16449	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	0.8
53.03947	3.0
55.01869	1.3
55.05499	0.9
58.13483	0.6
61.11694	0.6
65.03944	0.7
67.05498	1.6
69.03421	3.7
69.65021	2.0
69.65430	2.3
70.06593	1.5
71.01332	1.5
71.04982	1.7
73.97880	0.6
75.27522	0.6
77.03929	1.0
79.05488	8.0
81.03420	4.6
81.07038	2.4
85.02910	3.2
86.09669	0.8
91.05458	2.8
93.07043	4.7
95.04969	72.4
97.02894	11.1
97.06522	1.2
98.20815	0.7
99.04440	0.7
103.05473	4.9
104.10677	0.8
105.03333	0.6
105.04494	1.3
105.07025	1.8
107.04957	53.2
109.02883	25.6
109.06501	2.9
111.04474	0.8
121.06507	10.1
123.04431	13.9
125.02351	28.9
125.06004	4.1
127.03893	3.7
131.04924	3.3
133.02849	2.4
135.04410	3.9
137.05965	1.7
145.04955	1.0
147.04355	0.9
149.05977	20.0
151.03902	100.0
153.05472	11.1
159.03270	0.7
159.04385	3.5
159.99519	0.6
163.03915	2.1
165.05463	1.0
167.03430	0.8
167.07019	2.1
175.03925	0.7
177.05473	28.8
184.07355	0.7
195.06535	67.4
213.07578	18.8
213.09567	1.3
218.64735	0.6
248.67076	0.7
295.08020	0.8
321.09775	2.5
339.10733	5.7
357.11911	4.9
752.23492	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.0
53.03941	2.6
55.01871	1.1
57.03440	0.6
67.05502	1.6
69.03426	5.9
69.29852	4.3
71.01344	2.1
71.04976	0.9
74.21710	0.5
77.03927	0.7
79.05492	7.0
81.03410	4.8
81.07051	2.2
85.02897	3.9
91.05487	3.3
93.07038	5.1
95.01328	0.9
95.04965	61.7
97.02300	0.9
97.02891	11.6
97.06537	1.1
98.21549	1.0
99.04462	0.8
103.05470	5.4
105.04515	1.2
107.04951	53.8
109.02875	32.9
109.06518	3.5
119.25413	0.5
121.02950	0.6
121.06504	10.9
121.80035	0.5
123.04426	15.1
125.02347	42.2
125.05985	3.8
127.03903	4.8
131.04904	3.9
133.02856	1.7
133.06438	0.6
135.04417	3.6
145.04938	1.3
147.04381	0.7
149.05974	19.2
151.03897	100.0
152.04285	1.1
153.05464	10.4
159.04379	2.6
167.03333	0.7
167.06960	1.1
177.05466	33.6
189.07594	0.8
195.06525	83.6
196.06892	1.4
213.07584	11.3
251.09140	1.2
269.06512	0.8
287.07721	0.7
295.08102	2.3
297.09674	0.6
303.08664	0.9
321.09625	2.5
339.10757	8.4
357.11807	10.5
388.54956	0.6
489.13757	1.8
524.50769	0.5
707.22906	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.5
53.03947	3.2
54.84594	0.4
55.01863	1.0
63.31854	0.5
64.43791	0.4
65.03943	0.5
67.05503	2.4
69.03435	3.6
70.06596	0.5
71.01346	1.0
71.05000	1.3
71.51071	0.7
73.92142	0.4
77.03928	0.8
79.05494	7.5
81.03429	3.2
81.07056	2.1
83.04980	0.6
85.02905	3.1
91.05463	2.5
91.53338	0.5
93.07043	4.8
95.01321	0.6
95.04965	69.9
96.05293	0.7
97.02890	10.0
99.04470	0.8
103.05470	5.6
105.03374	1.1
105.04507	1.1
105.07015	0.5
107.04953	48.5
109.02876	23.6
109.06529	2.9
111.04470	0.5
111.71431	0.5
117.81252	0.5
121.06496	9.5
123.04424	14.1
125.02353	28.1
125.05996	4.3
127.03906	3.1
131.04926	3.0
133.02859	1.6
133.06467	0.5
135.04417	3.4
137.05981	1.9
137.52454	0.5
145.04974	1.1
147.04420	0.5
149.02251	0.6
149.05975	18.7
151.03900	100.0
152.04202	1.1
153.05464	10.2
153.06706	0.3
159.04399	3.2
160.59564	0.5
165.05458	0.6
167.07037	1.7
177.05472	26.0
195.06531	78.9
196.06824	1.2
213.07574	22.6
219.10083	0.7
279.33612	0.4
295.08133	1.4
303.08652	0.7
321.09674	1.4
339.10709	5.6
357.11792	5.8
368.13690	0.5
627.17975	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.1
53.58857	0.8
55.01873	1.3
66.70959	0.8
67.05491	2.5
69.03432	6.6
69.81426	5.2
71.01373	1.1
71.04991	1.4
72.78715	1.0
79.05493	7.5
81.03423	4.0
81.07047	2.4
85.02909	4.0
91.05471	3.3
93.07050	4.3
95.04966	65.4
97.02885	11.2
97.06488	1.0
103.05456	7.2
105.03386	0.9
105.04494	1.6
107.04954	52.2
109.02135	1.8
109.02879	33.0
109.06503	2.4
121.06503	11.0
123.04427	14.0
125.02348	39.9
125.05993	3.2
127.03900	4.9
131.04910	3.6
133.02823	2.6
135.04399	4.1
145.04903	1.9
149.05971	20.9
151.03900	99.0
153.05470	9.2
159.04411	3.4
162.28197	0.8
164.81473	0.8
177.05478	38.8
189.07597	1.0
195.06526	100.0
210.81419	1.0
213.07593	11.6
241.51607	1.0
251.09033	1.3
269.06662	1.1
283.29132	0.9
286.58423	1.0
295.08121	1.6
303.08554	0.9
312.32529	0.9
321.09644	2.9
339.10703	7.7
357.11804	13.6
489.13898	1.7
507.15176	1.2
616.84735	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
66.71303	0.2
66.73115	0.2
67.01856	1.7
67.05497	0.3
68.99770	0.4
69.03426	0.2
70.06583	0.2
71.12499	0.2
71.12817	0.2
76.08125	0.2
79.05510	0.3
81.03424	0.5
81.07055	0.3
85.02890	0.4
91.05498	0.4
93.07035	0.3
95.04961	0.4
97.02901	0.2
103.05480	0.3
105.07042	0.2
107.04955	0.3
109.02885	0.5
121.06525	0.2
122.03644	0.2
123.04436	0.3
127.03912	0.2
130.91214	0.2
131.04953	0.4
137.05989	1.8
137.09608	0.2
145.06487	0.2
149.05974	0.4
151.03914	0.4
151.07616	0.2
153.01834	5.7
153.05476	0.2
161.05986	0.3
163.07541	0.2
165.05450	0.4
167.07101	0.6
171.02924	0.5
175.07512	0.3
177.05501	0.3
181.05046	0.2
184.07378	0.2
187.07462	0.2
189.09090	0.2
191.07016	0.2
200.58929	0.2
201.05426	0.4
203.03497	0.2
213.05496	0.3
229.04973	0.5
242.05731	7.6
243.06232	0.2
253.04994	0.2
255.06389	0.3
257.04465	3.6
258.05231	0.6
265.08524	0.2
269.04504	0.6
270.05225	2.0
271.06009	0.4
283.06058	1.6
284.06757	0.4
285.03983	1.2
285.07486	0.4
286.04767	0.7
287.05542	0.5
299.05569	0.6
300.06436	0.2
333.07764	0.2
385.07053	5.8
401.06665	0.7
402.07309	0.5
417.09689	7.5
418.10254	0.5
419.07498	0.9
429.06326	0.4
437.08752	1.1
443.07574	0.6
461.08441	0.9
469.09601	0.3
481.08966	0.2
485.08588	0.3
495.06979	0.7
501.12225	0.2
527.09766	3.0
537.08185	19.1
538.08301	1.2
553.07593	1.3
554.08002	0.4
569.10785	100.0
570.11206	5.4
593.10913	0.4
635.11737	0.3
730.37146	2.0
731.35736	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	730.4648
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05027	0.7
58.06634	0.5
59.07382	0.2
60.08159	6.2
67.05501	0.4
69.07039	0.1
69.54327	0.6
70.06579	0.1
71.07368	3.5
79.05482	0.2
80.97433	0.1
81.07043	0.3
81.51631	0.1
83.08636	0.1
86.09699	32.3
87.10029	0.3
91.05482	0.2
93.07022	0.2
95.08591	0.2
98.21503	0.1
98.98457	3.3
104.10734	2.2
105.07037	0.1
107.04996	0.1
109.47601	0.1
116.99472	0.1
119.08592	0.1
121.10181	0.1
124.99991	22.0
126.00324	0.2
143.01079	0.4
157.10056	0.1
163.88498	0.1
166.02588	0.1
177.75145	0.1
184.07324	100.0
185.07661	1.1
231.33659	0.1
322.19174	0.1
468.23373	0.2
583.98859	0.1
678.46094	0.1
697.94403	0.1
730.46490	3.4
731.46924	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4645
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61802	0.1
55.05491	0.1
56.05023	0.7
57.07072	0.3
58.06363	0.1
58.06631	0.4
59.05001	0.8
59.07378	0.1
60.08161	6.4
67.05493	0.2
69.07094	0.1
69.21377	1.3
71.06988	0.2
71.07367	3.3
79.05512	0.2
81.07029	0.2
85.96357	0.1
86.09701	31.7
87.10036	0.3
95.58520	0.1
98.98463	3.3
104.10736	2.2
109.10152	0.1
114.32902	0.1
115.11198	0.2
124.99995	20.9
143.01028	0.3
166.02605	0.2
173.15288	0.2
184.07329	100.0
185.07762	0.6
222.86855	0.1
227.73645	0.1
466.22211	0.2
522.34900	0.1
611.72888	0.1
730.46429	3.2
731.46136	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4649
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44007	0.1
52.83429	0.1
55.05494	0.1
56.05031	0.6
58.06623	0.5
59.07384	0.1
59.23734	0.1
60.08160	6.1
62.31936	0.1
63.35309	0.1
66.86136	0.1
67.05482	0.3
69.07033	0.1
70.06584	0.1
70.97983	0.2
71.07369	3.3
71.07759	0.2
74.90344	0.1
79.05488	0.1
81.07037	0.3
86.09701	30.8
87.10032	0.3
91.05477	0.2
92.52232	0.1
93.07040	0.2
95.08598	0.2
98.98456	3.0
104.10735	2.4
105.06986	0.1
107.08587	0.1
109.10161	0.1
116.99528	0.1
119.08600	0.1
124.99995	20.6
131.08533	0.1
143.00043	0.1
143.01003	0.4
166.02634	0.2
184.07330	100.0
185.07677	1.0
197.92195	0.1
227.48795	0.1
270.77328	0.1
450.21753	0.1
520.33978	0.2
730.46466	5.0
731.46161	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70694	0.3
56.05021	1.1
58.06339	0.3
58.06594	0.8
58.74160	0.3
59.66272	0.3
60.07892	0.4
60.08166	6.7
64.56658	0.3
67.05498	0.5
71.07383	3.3
79.05475	0.3
81.07054	0.7
83.04975	0.3
83.08626	0.4
86.09706	30.8
93.07027	0.8
95.08603	0.7
98.20753	1.2
98.98460	3.3
104.10732	2.5
125.00004	21.0
143.01016	0.4
166.02719	0.3
172.86235	0.3
184.07343	100.0
184.36864	0.3
185.07639	1.0
229.63231	0.8
257.07175	0.3
313.18698	0.3
612.31104	0.4
730.46509	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	729.275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.4
55.01859	0.8
57.03423	0.7
65.03619	0.8
65.03938	10.0
67.05505	1.4
69.03426	1.9
70.65422	1.7
70.65783	0.7
73.78846	0.6
78.04702	1.7
79.05085	0.6
79.05476	3.6
81.03400	1.0
82.04198	1.7
85.02911	4.0
91.05486	5.1
93.03400	4.5
95.01345	0.9
95.04950	2.4
97.02889	1.7
97.06461	0.7
103.05483	3.1
105.03473	0.9
105.07037	5.5
106.04151	0.9
107.04962	6.1
108.02042	1.0
109.02908	0.8
110.03669	9.1
111.03739	0.7
111.04446	10.6
115.05466	2.8
118.04200	0.9
119.04956	4.3
119.08592	0.8
120.68362	0.7
122.03641	1.4
123.04443	2.9
124.05193	1.4
125.05991	12.4
127.03931	1.1
128.06218	1.7
129.07005	3.1
130.04163	0.8
131.04938	3.5
132.05777	0.8
133.02841	1.6
133.06496	3.9
135.04448	0.6
136.05199	0.9
137.05963	6.7
138.03107	1.3
144.05687	1.6
145.06493	1.7
147.04422	7.5
147.08032	2.2
148.59813	0.6
149.06023	1.4
151.03955	1.7
151.07535	1.4
152.04715	0.8
153.05466	67.4
154.05803	2.0
156.05656	0.7
159.08080	5.5
160.05194	1.0
161.06013	5.1
162.06836	0.6
163.07498	1.2
165.05537	1.1
165.06909	0.9
167.07043	38.3
171.04486	1.4
172.05113	1.5
173.06042	1.0
175.07556	9.5
176.04716	0.9
177.05508	1.9
178.07722	1.1
179.07068	5.5
184.05145	0.7
185.05933	2.0
186.06740	2.2
187.07538	10.1
189.05461	4.7
189.06996	1.4
189.09026	0.9
190.07768	2.4
191.07118	4.1
191.08435	4.0
193.06427	0.8
194.07166	1.0
195.07991	1.1
198.06870	0.9
199.07574	4.5
202.07767	2.4
203.08553	3.9
205.06572	2.2
206.07253	2.2
207.06471	1.7
207.08185	1.4
208.08751	0.9
209.08093	1.1
211.09628	1.0
214.06192	0.7
215.06985	2.3
216.07759	6.8
217.06572	1.0
217.08530	0.9
218.07353	3.2
219.08083	8.1
220.08890	4.0
221.05980	2.0
221.09641	3.1
223.07480	1.0
229.06548	1.4
229.08598	7.3
231.08041	3.9
232.08800	1.7
233.05893	2.0
233.09636	3.7
234.06787	2.7
235.07541	5.9
236.08270	4.2
237.09056	2.1
243.08131	1.1
245.06067	1.2
246.06779	2.7
247.07587	4.5
248.08350	5.2
249.05455	1.2
249.09140	4.8
250.06355	1.4
250.09775	1.3
251.07108	1.7
251.10670	9.5
252.07831	0.8
252.11064	0.8
253.08621	1.1
258.06647	0.7
259.07593	2.5
260.08298	1.7
261.05502	2.4
261.09100	3.6
262.06250	1.4
262.09946	1.2
263.07208	3.1
263.10574	3.1
264.07761	7.6
264.10385	0.9
265.08582	9.3
266.09402	1.3
274.06244	0.8
275.07016	3.5
275.10056	0.7
276.07816	8.6
277.08521	5.8
278.06287	0.9
278.09332	4.5
279.10110	6.7
280.07162	0.7
280.10767	1.4
281.08374	1.1
281.11734	4.3
287.07172	0.9
288.07898	2.0
289.05734	0.7
289.08521	4.0
290.09467	2.9
290.29965	0.7
291.06921	0.8
291.10056	3.4
292.07278	1.6
292.10809	1.1
293.08087	5.5
293.11243	1.0
294.08926	2.2
294.12143	0.6
295.09644	1.1
296.10443	0.7
301.43024	0.6
304.07333	2.1
305.08188	1.6
306.08939	2.3
307.09634	37.1
308.10297	8.7
309.11111	6.1
310.11798	1.0
311.12781	1.4
319.09659	10.2
320.06955	0.6
320.10352	2.4
321.11206	5.0
322.11871	0.8
323.12900	6.1
324.09738	1.4
325.14438	0.9
336.09885	1.0
337.10696	2.2
339.12268	100.0
340.12683	4.9
341.13849	11.1
351.12265	37.0
352.12814	3.7
353.13678	5.7
369.13272	2.8
461.84613	0.6
499.17300	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	728.4491
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05033	0.7
58.06309	0.2
58.06635	0.6
59.07386	0.2
60.08162	6.3
67.05501	0.4
68.84518	0.1
69.49182	0.4
69.49616	0.4
71.07372	3.2
79.05487	0.4
80.87859	0.1
81.07050	0.3
83.04982	0.1
86.09703	31.6
87.10040	0.2
91.05487	0.3
93.07066	0.2
95.04994	0.1
95.08595	0.3
95.39931	0.1
98.20776	0.2
98.98463	3.5
104.10741	2.6
109.10077	0.1
119.49049	0.1
125.00001	21.9
131.08556	0.1
143.01059	0.4
184.07335	100.0
185.07684	0.8
190.08742	0.1
202.61214	0.1
224.09068	0.2
234.07628	0.3
250.10741	0.8
305.02789	0.2
332.05255	0.4
392.07480	1.0
468.23251	0.3
500.31238	0.2
581.42010	0.1
728.44940	3.4
729.45044	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	729.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.8
55.01867	1.6
57.03421	1.7
65.03939	12.0
67.05494	1.8
69.03410	3.8
69.31625	1.0
69.84827	1.8
69.85233	4.1
78.04701	2.3
79.05502	6.8
81.03415	2.8
82.04192	2.0
84.63165	1.0
85.02896	6.0
86.09686	1.2
91.05460	7.2
93.03402	6.5
95.01349	2.8
95.04961	7.3
95.89793	1.4
97.02898	2.2
97.06519	1.5
98.20796	1.7
98.22858	1.2
103.05495	3.6
105.07015	6.0
107.04959	13.5
109.02878	6.5
110.03693	11.1
111.04446	16.5
115.05444	3.4
117.06973	1.9
118.04176	1.9
119.04927	5.4
119.08631	1.2
121.06516	4.3
121.72373	1.1
122.03658	2.2
123.04420	5.3
124.05180	1.2
125.02369	2.2
125.05998	17.5
127.03870	2.0
128.06219	2.8
129.07016	6.0
131.04930	5.3
132.05658	2.0
133.02840	2.6
133.06477	6.3
135.04379	2.0
136.05222	1.4
137.05980	15.5
138.03201	1.1
139.03923	2.3
141.06981	1.4
143.04912	1.2
144.05676	1.9
145.06503	4.0
147.04440	7.5
147.08020	2.3
149.05972	4.1
151.03902	7.7
151.07535	3.4
152.04410	2.5
153.05463	77.7
154.05779	1.4
155.04907	1.6
157.06482	2.1
159.08070	6.6
161.05994	9.1
163.03856	1.2
163.07541	2.7
165.05472	4.0
165.06836	1.6
167.07045	59.7
171.07913	1.4
172.05138	1.9
173.06082	1.9
175.07533	14.9
177.05476	7.2
178.05855	1.7
178.07722	1.8
179.07158	6.5
179.08548	1.7
181.04935	2.7
181.08598	1.3
184.05127	2.3
185.06006	2.1
186.06792	2.1
187.07539	14.9
189.05473	3.9
189.07024	2.0
189.09026	1.6
190.07758	2.3
191.07007	9.1
191.08607	3.9
195.06491	3.5
196.06812	1.9
199.07523	7.6
202.07848	3.4
203.06978	2.8
203.08586	6.4
205.06535	2.6
206.07274	3.8
207.06380	1.6
207.08098	1.6
208.08830	1.9
209.08070	4.3
210.08504	1.4
214.06226	2.0
215.06984	3.4
215.08714	2.3
216.07855	8.7
217.06563	2.1
218.07159	6.7
219.08069	10.9
220.08846	3.8
221.06020	3.1
221.09631	3.3
222.06743	1.6
229.08505	7.2
231.08043	5.7
232.08743	2.1
233.06003	3.1
233.09572	4.1
234.06781	4.1
235.07477	7.3
236.08223	6.2
237.09009	3.3
238.76875	1.6
239.07051	1.6
245.05849	1.7
246.06699	3.6
247.07518	8.2
248.08475	8.1
249.05421	1.4
249.09093	7.7
250.06252	2.1
250.09868	3.2
251.06949	3.7
251.10672	15.3
253.08643	2.0
259.07544	3.4
260.08322	3.0
261.05408	2.9
261.09113	6.5
262.06226	3.1
262.09760	3.5
263.06918	5.5
263.10910	2.7
264.07748	9.7
265.08533	11.8
266.09381	3.1
273.05576	1.1
275.06943	3.9
275.09930	1.2
276.07819	11.5
277.08514	6.6
278.09369	6.2
279.07159	1.0
279.10193	7.9
280.10864	1.7
281.08154	1.7
281.11740	4.6
288.07889	2.8
289.08536	4.0
290.09293	1.9
291.07074	1.2
291.10052	6.1
292.07281	3.1
293.08051	7.1
293.11624	2.9
294.08832	3.0
295.09836	1.5
304.07166	4.1
305.08157	3.1
306.08871	2.7
307.09616	38.3
307.13150	1.9
308.10361	9.6
309.11127	8.2
311.12781	2.2
319.09634	9.4
320.10413	2.6
321.11169	7.0
323.12799	6.8
324.10202	1.6
325.14075	1.4
336.10062	1.6
337.10571	3.0
339.12283	100.0
340.12518	3.4
341.13834	17.8
351.12268	36.0
352.12753	2.5
353.14090	6.1
369.13297	3.5
371.14859	2.4
484.05481	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4497
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05024	0.7
58.06641	0.4
59.07412	0.1
60.08164	6.1
67.05499	0.5
70.04376	0.6
71.07372	3.2
75.53102	0.1
79.05497	0.2
79.29911	0.1
80.97411	0.1
81.07044	0.3
86.09706	29.1
86.57447	0.1
87.10067	0.2
93.07082	0.2
95.08601	0.3
98.98465	3.0
104.10741	2.2
105.28714	0.1
107.08589	0.1
109.10174	0.3
125.00004	18.7
130.53244	0.1
143.01019	0.5
156.97942	0.1
166.02682	0.1
183.82614	0.1
184.07341	100.0
185.07729	0.6
466.21964	0.3
468.37518	0.2
728.44946	3.0
729.44391	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.1
56.05034	0.6
58.06364	0.1
58.06617	0.5
60.08164	6.7
62.17582	0.1
67.05500	0.5
69.07040	0.2
71.07372	3.6
79.05467	0.3
81.03431	0.2
81.07055	0.4
83.08630	0.2
86.09704	32.0
87.10035	0.3
91.05487	0.2
93.07025	0.2
95.08595	0.2
98.40771	0.1
98.98461	3.3
102.24509	0.1
104.10740	2.4
105.07036	0.2
106.47398	0.1
109.10171	0.2
109.86723	0.1
111.16821	0.1
125.00000	21.5
126.00333	0.2
143.01067	0.4
156.58319	0.1
166.02672	0.2
184.07336	100.0
185.07765	0.7
229.46394	0.1
388.24344	0.1
468.37753	0.1
520.33844	0.3
545.38678	0.2
728.44916	4.1
729.45209	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.3
53.00308	0.9
53.03955	4.1
55.01865	2.3
57.03432	1.9
59.04988	1.8
61.02872	1.0
65.03934	1.3
67.05492	5.6
69.03430	13.5
71.01336	5.3
71.04984	2.7
71.50328	0.9
71.50736	1.0
73.02925	1.1
77.03938	2.5
79.05489	18.7
81.03420	17.4
81.07058	3.4
83.01345	1.3
83.04978	2.2
85.02905	10.6
87.04469	0.8
89.02458	0.7
91.05479	9.4
93.07038	10.1
95.01357	1.2
95.04964	48.1
97.02885	13.0
97.06555	1.3
99.04447	3.1
103.05470	14.3
105.03387	2.5
105.04514	2.3
105.07029	3.5
107.04948	100.0
108.05269	1.5
109.02870	76.0
109.06502	10.4
111.04432	4.0
114.42189	0.8
119.04924	1.2
121.06498	21.3
123.04423	12.9
125.02347	34.0
125.05995	3.2
127.03896	12.0
131.04916	9.9
133.02867	3.4
133.06448	2.1
135.04414	10.3
137.05952	2.6
139.03897	28.5
141.05463	1.6
145.04941	3.5
147.04424	2.9
149.02368	0.9
149.05977	38.6
151.03897	75.8
152.04207	1.5
153.05464	8.4
157.05019	1.0
159.04398	11.0
161.05939	1.5
165.05467	53.1
167.03337	1.0
167.07025	13.6
169.04955	1.7
175.03920	2.8
175.07562	1.0
177.05463	80.7
178.05826	0.9
181.08606	1.7
189.05443	1.2
189.07565	0.8
191.05414	1.5
191.07031	13.1
193.05011	1.0
195.06520	37.7
196.06979	0.9
203.07129	1.0
209.08075	40.1
213.05737	0.7
213.07542	4.0
215.07088	1.2
227.09015	4.7
233.08160	1.0
251.05478	1.3
251.09019	1.2
254.90195	0.9
269.06506	1.9
269.10208	2.5
277.07291	0.9
287.05478	3.3
295.08160	6.8
303.08636	2.7
321.09671	11.1
339.10727	19.2
340.11044	1.3
353.12442	1.4
357.11691	2.9
361.22174	0.8
371.13498	2.2
515.15161	1.2
521.16803	1.0
740.13269	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	1.3
53.00311	0.8
53.03947	5.5
54.09265	0.7
55.01871	1.5
55.05508	1.0
57.03443	0.9
59.05002	1.9
62.95483	0.7
65.03938	1.8
67.05515	3.6
67.26363	0.7
68.02669	0.9
69.03435	9.2
69.41518	4.0
69.41936	2.0
70.06593	0.8
71.01364	4.1
71.04987	1.7
77.03516	0.7
77.03944	1.8
79.01859	1.2
79.05493	15.0
81.03421	11.3
81.07054	2.4
83.01300	0.8
83.04973	3.2
85.02907	5.4
87.04470	1.4
91.05479	8.1
93.03405	0.8
93.07037	6.6
94.04204	0.9
95.01327	1.6
95.04965	41.4
95.08625	1.1
97.02892	10.7
97.06532	1.8
98.20751	1.5
99.04453	2.0
103.03906	0.8
103.05466	13.9
105.03407	1.9
105.04506	2.1
105.07040	3.1
107.04955	60.6
109.02878	100.0
109.06512	5.5
110.18592	0.7
111.04440	3.6
115.05445	1.6
117.07019	0.9
119.04923	2.0
121.06505	17.4
122.03677	1.3
123.04432	14.6
124.05157	0.8
125.02352	35.4
125.06004	3.3
127.03909	6.8
128.06187	0.9
129.05550	1.2
129.07011	2.5
131.04924	12.0
131.08492	0.9
133.02888	3.3
133.06494	1.5
133.10098	2.3
135.04431	7.1
137.05978	9.0
137.09541	0.9
139.03903	43.4
139.07545	0.8
141.05460	1.7
145.04942	2.4
145.06496	1.3
147.04353	3.9
149.02252	0.9
149.05969	31.2
151.03902	80.3
151.07570	2.0
153.05461	9.4
155.08632	1.0
157.06519	1.2
159.04424	10.9
159.08122	1.5
161.06003	3.5
163.07555	1.4
165.05475	63.8
166.05862	0.9
167.07050	16.6
169.05026	0.8
169.06479	0.9
173.06004	1.8
175.03932	4.1
175.07568	2.3
177.05470	92.9
178.05792	1.5
179.06999	1.8
181.04958	3.2
181.08589	1.2
183.06630	1.1
185.05894	1.0
187.03925	0.8
187.07516	1.9
189.05420	1.5
189.07410	0.9
189.09302	0.9
191.07033	11.4
191.14328	1.5
193.04933	1.4
193.08633	1.4
195.06523	50.9
197.06114	0.9
203.06972	1.7
207.06367	1.1
209.08084	49.4
209.15353	0.8
210.08455	1.3
211.07474	0.9
213.07500	6.2
217.06610	0.8
227.07010	0.8
227.09225	1.0
234.06671	1.5
249.09221	1.1
265.08530	1.4
269.06656	1.3
277.08572	1.7
283.09622	0.8
295.08194	2.5
303.08615	3.1
307.09573	1.8
309.11203	2.4
310.11957	1.7
311.12888	1.6
321.09464	5.4
339.10632	10.3
341.13681	0.9
357.12006	3.0
369.13306	0.8
371.13312	1.0
417.15311	1.6
489.14133	0.9
515.15540	1.1
533.16364	1.2
727.26208	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	726.4337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.2
56.05029	0.5
57.07072	0.1
58.06355	0.2
58.06611	0.3
59.07369	0.2
60.08160	6.2
64.32694	0.2
66.01743	0.2
67.05502	0.4
70.07269	0.3
70.07678	0.5
71.07368	3.2
71.08639	0.2
79.05487	0.2
81.07023	0.3
86.09702	30.5
87.10047	0.6
89.06062	0.2
91.05440	0.3
93.07052	0.3
95.08617	0.2
98.98459	3.3
104.10748	2.0
105.07008	0.2
107.08536	0.3
124.99996	20.2
143.01047	0.4
184.07329	100.0
185.07698	1.5
186.07855	0.4
227.20030	0.7
228.20384	0.2
325.70822	0.1
466.22174	0.2
535.73486	0.2
593.28113	0.2
671.60474	0.2
726.43219	2.4
727.43384	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2075
Annotation	Kaempferol 3-xylosyl-(1->3)-rhamnosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
53.03932	0.1
55.01847	0.1
57.03437	0.5
60.12252	0.1
61.02921	0.2
67.01862	0.3
67.05475	0.1
68.99496	0.1
68.99805	0.3
69.03419	0.3
71.01341	0.1
71.04610	0.1
71.04990	1.5
71.49922	0.1
73.02910	1.2
75.04462	0.1
79.05479	0.3
81.03406	0.3
83.04975	0.3
85.02902	2.8
87.04443	0.1
89.03897	0.1
91.05471	0.2
93.07033	0.2
95.04968	0.6
97.02876	0.6
103.05463	0.2
107.04959	1.2
109.02868	1.2
109.06487	0.2
111.04424	0.3
115.03903	0.3
117.03312	0.1
121.06485	0.3
123.04413	0.1
125.02357	0.4
127.03876	0.2
129.04649	0.1
129.05484	0.9
131.04927	0.1
133.04964	0.1
135.04399	1.0
137.02342	0.3
137.05927	0.1
139.03876	0.5
141.10556	0.1
145.04959	0.1
147.06523	0.3
149.05995	0.5
151.03876	1.0
153.01819	2.8
153.05481	0.1
159.04478	0.1
161.02318	0.4
163.03873	0.1
165.05469	0.8
167.07024	0.2
171.02913	0.5
174.31612	0.1
177.05475	1.1
179.03378	0.2
191.07036	0.2
193.04976	0.1
195.06497	0.6
209.08067	0.6
213.05455	0.1
219.06465	0.1
225.07581	0.1
241.04897	0.3
259.05991	0.1
263.05624	0.1
269.04440	0.3
286.04636	0.1
287.05481	100.0
288.05820	1.8
299.05612	0.1
321.09970	0.1
329.06546	0.2
339.10464	0.1
353.06390	0.1
383.07550	0.1
419.09586	0.1
449.10803	1.3
532.95709	0.1
581.14453	0.1
595.16583	4.8
596.16833	0.2
602.44904	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	727.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	1.0
53.03933	6.0
55.01862	2.8
55.05505	0.8
57.03425	2.0
57.49296	0.8
59.04987	2.2
67.05494	3.7
69.03426	9.6
69.53456	6.9
71.01351	3.8
71.05006	1.8
73.02909	1.1
77.03930	1.2
79.05489	14.5
81.03411	11.7
81.07071	2.8
83.04977	2.3
85.02889	5.5
91.05485	5.7
93.07048	5.6
95.04961	38.9
96.05312	1.1
97.02888	11.4
97.06503	1.0
99.04448	3.4
103.05454	13.9
105.03365	2.2
105.04501	1.3
105.07040	1.7
107.04947	59.8
108.05296	1.0
109.02869	96.8
109.06522	5.3
110.03201	1.6
111.04439	4.5
115.03926	1.0
117.07045	1.0
119.04939	1.9
121.06498	18.1
123.04422	14.7
125.02344	40.6
125.05987	3.4
127.03917	10.6
131.04909	9.6
133.02814	1.9
133.06461	1.4
135.04440	5.5
137.05937	4.4
139.03893	43.6
141.05444	1.3
145.04958	2.1
147.04391	2.4
149.02335	1.0
149.05969	28.6
149.07143	1.9
151.03893	81.2
152.04210	1.3
153.05453	10.1
159.04402	12.6
163.03949	1.1
163.07553	1.0
165.05469	64.2
166.05811	1.1
167.03410	1.0
167.07030	8.3
173.05988	1.3
175.03918	3.2
177.05457	100.0
178.05811	2.9
181.04990	1.2
191.07011	10.4
193.04994	1.2
195.06511	48.3
196.06871	1.0
203.06972	1.3
209.08070	48.6
213.07529	5.6
227.09152	1.9
242.50307	1.0
269.06540	1.6
277.07022	1.1
285.07767	1.7
295.08069	3.6
303.08655	3.4
321.09573	6.0
339.10733	12.4
353.12796	0.9
357.11685	2.1
371.13150	0.9
455.01483	1.1
489.13898	1.5
515.15881	1.1
533.16492	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.2281
Annotation	Apigenin 7-rhamnoside-4'-rutinoside
Peak:m/z	Relative Intensity
53.03961	0.1
55.01852	0.2
57.03428	0.7
61.02913	0.1
67.01852	0.3
68.99802	0.3
69.03407	0.2
69.49584	0.8
70.06560	0.2
71.04987	4.2
75.04479	0.2
79.05473	0.2
81.03426	0.2
81.34012	0.1
83.04967	0.5
85.02380	0.2
85.02901	5.1
85.06503	0.1
87.04455	0.2
91.05464	0.3
94.06574	0.1
95.04932	0.2
97.02891	0.1
98.20773	0.2
99.04481	0.1
104.29727	0.1
106.06535	0.2
107.04945	0.4
109.02871	0.2
109.06485	0.2
111.04440	0.4
117.05452	0.1
119.04932	1.0
121.02857	0.4
122.06010	0.5
124.03944	0.4
127.03899	0.2
129.01839	0.1
129.05472	1.3
131.04918	0.1
137.05969	0.2
138.05490	0.2
139.03905	0.3
145.02823	0.3
147.06490	0.3
150.05502	0.4
151.03877	0.3
152.07089	0.4
153.01823	2.9
153.05446	0.1
156.06552	0.4
163.03865	0.5
164.07100	0.1
165.05470	0.6
167.06993	0.2
168.06543	0.2
171.02855	0.5
208.09547	0.2
209.07974	0.2
213.07526	0.1
225.05423	0.3
229.04938	0.3
243.06339	0.2
259.10901	0.1
260.09122	0.2
271.05984	100.0
272.03604	0.2
272.06326	2.3
301.11700	0.2
319.12881	0.2
330.95636	0.1
337.13959	0.2
338.12250	0.2
362.16364	0.2
392.13559	0.2
417.11539	0.2
433.11240	1.1
542.22125	0.1
545.21283	0.3
563.21899	0.3
579.17035	5.2
580.17303	0.3
690.93433	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	726.4343
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05021	0.5
56.67268	0.2
58.06344	0.2
58.06603	0.5
60.08160	6.7
69.84676	0.2
71.07373	3.5
71.50916	0.3
74.40885	0.3
79.05481	0.4
81.07044	0.5
86.09700	31.0
87.09579	0.2
87.10023	1.8
93.07056	0.5
95.08622	0.3
98.98457	3.4
104.10733	2.1
123.10528	0.3
124.99994	21.2
126.00320	0.5
127.00433	0.6
133.20134	0.2
140.81750	0.2
143.01048	0.5
145.10159	0.3
174.46486	0.2
181.03261	0.3
182.41660	0.3
184.07330	100.0
185.07683	6.2
186.07765	2.7
443.50009	0.3
610.04181	0.3
690.46216	2.2
726.43451	2.1
727.43445	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4153
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	13.4
55.01867	16.5
55.05510	39.2
57.03442	19.7
60.36895	3.2
61.02929	3.6
65.03926	4.4
67.05506	73.0
69.03430	31.9
69.07069	31.4
69.42632	20.4
71.04990	12.4
73.02905	2.6
79.05028	3.4
79.05489	74.9
81.03416	100.0
81.07053	82.4
82.70525	2.9
83.04975	29.4
83.08608	26.1
85.02923	20.6
85.06536	5.0
91.05477	70.5
93.06487	5.0
93.07042	70.3
94.07388	4.6
95.04959	34.7
95.08598	38.2
97.02900	23.8
97.06537	23.0
97.10188	12.6
99.04444	8.3
99.08106	6.7
103.05450	3.0
105.07029	63.9
107.04951	20.1
107.08581	33.4
109.02867	16.9
109.06496	13.6
109.10158	25.2
111.04436	11.0
111.08083	12.8
113.05988	3.7
115.05427	5.1
117.07005	25.0
119.08582	42.4
119.83108	3.0
121.06503	6.5
121.10141	29.6
123.04481	2.5
123.08065	9.8
123.11673	6.7
125.09605	10.1
127.03909	14.7
128.06233	4.5
129.05437	6.6
129.06995	18.9
131.08551	39.4
133.06496	6.1
133.10110	35.2
135.04382	3.0
135.08043	10.7
135.11717	13.1
136.38509	2.9
137.09558	5.0
137.13226	2.5
141.06967	4.0
142.07776	4.0
143.08563	11.8
145.06488	3.5
145.10115	24.8
147.08026	7.3
147.11673	28.6
149.09586	16.7
149.13318	4.8
151.11188	5.1
155.08516	2.8
157.10110	20.0
159.08054	6.1
159.11690	17.8
161.09595	5.6
161.13298	4.2
163.03914	4.4
163.11177	11.4
165.12775	6.2
169.10101	8.8
171.11665	6.9
173.04495	19.8
173.11736	3.0
173.13202	6.9
175.11137	15.7
177.12732	3.2
181.10081	3.2
181.12189	3.6
183.11708	7.4
184.07361	10.3
185.09630	3.1
185.13239	7.0
189.11264	4.8
189.12767	3.1
191.10551	3.9
193.12231	26.3
195.13737	3.0
197.13359	3.1
199.14876	3.8
201.12723	4.1
211.13277	38.1
227.12762	14.7
229.14316	6.2
239.17998	5.4
247.20541	3.7
257.19003	11.8
267.15842	15.2
273.18280	3.6
275.20056	57.7
283.15591	4.0
285.16953	16.8
293.21066	8.9
295.20493	3.3
299.19641	2.8
313.21609	4.0
331.22690	3.1
349.23654	25.4
429.20154	5.2
461.28500	3.3
467.31635	5.3
490.36685	4.0
523.34052	5.2
541.35175	32.7
544.36981	4.5
559.36212	33.7
577.37402	3.9
623.33148	5.1
667.38232	3.7
685.39154	4.3
696.21527	2.9
703.40442	17.7
721.41534	21.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.2
53.64850	0.1
55.01862	0.3
55.05495	0.5
58.55619	0.1
65.03918	0.1
66.68570	0.1
67.01852	0.6
67.05495	1.0
68.99496	0.1
68.99805	0.5
69.03423	0.3
69.07055	0.5
71.48637	0.1
79.05487	0.9
81.03421	0.8
81.07050	1.0
83.08616	0.3
86.09710	0.1
91.05457	1.1
93.07037	1.0
95.04964	0.3
95.08601	0.6
97.02873	0.4
97.06545	0.6
97.10139	0.3
98.21537	0.3
99.90176	0.1
105.07023	1.2
107.04935	0.2
107.08586	0.5
107.37868	0.1
109.02880	0.5
109.10126	0.3
117.07019	0.5
119.04932	1.6
119.08548	0.6
121.02868	0.8
121.10116	0.3
125.09614	0.2
127.03920	0.6
129.01807	0.2
129.06978	0.2
131.08574	0.5
133.06461	0.1
133.10095	0.7
135.04367	0.4
135.11668	0.3
137.02327	0.3
143.08569	0.2
145.02841	1.1
145.10126	0.3
147.08032	0.2
147.11636	0.3
149.09573	0.2
153.01820	5.9
157.10121	0.1
159.11678	0.2
161.02339	0.3
161.13193	0.2
163.03909	0.6
163.11116	0.2
169.56587	0.1
171.02875	2.0
171.11694	0.2
177.12697	0.2
179.03473	0.2
179.14354	0.3
184.07309	0.5
187.03925	0.2
189.11200	0.2
203.07069	0.3
219.06592	0.1
223.13245	0.4
225.05441	0.6
229.04955	0.3
241.04930	0.3
243.06458	0.2
247.06174	0.2
257.19089	0.2
271.05994	100.0
272.06302	1.5
273.18430	0.5
275.20084	1.8
283.05972	0.9
287.05487	26.7
288.05872	0.3
291.19531	4.5
298.87543	0.1
299.05545	0.5
313.06989	0.2
329.06711	0.1
351.12259	0.1
391.15363	1.1
407.14752	0.2
435.23624	0.2
463.17871	0.2
525.21918	0.1
531.26990	0.2
543.23456	0.3
543.36029	0.3
561.24030	0.2
597.45538	0.1
705.28577	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.479
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03974	0.2
55.05476	0.3
56.05021	0.6
57.07062	0.3
58.06591	0.4
60.08160	6.0
64.84673	0.3
67.05479	0.8
69.07043	0.4
71.07362	2.7
71.52551	0.3
79.05457	0.6
81.07040	1.1
83.08624	0.3
86.09697	29.4
87.10023	0.2
91.05471	0.7
93.07017	0.5
95.08574	1.1
98.98463	3.0
104.10728	2.5
105.06979	0.3
107.08607	0.4
109.10116	0.6
121.10049	0.4
124.99992	19.5
125.76009	0.2
131.08566	0.3
133.10095	0.2
133.34492	0.2
143.01089	0.3
147.04446	1.2
166.02567	0.2
184.07321	100.0
185.07607	0.4
187.09296	0.2
485.39645	1.2
503.40970	0.4
720.48035	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	720.4886
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	15.1
57.03450	12.5
57.07075	33.2
60.08153	5.8
61.02913	5.3
65.80624	2.5
67.05505	22.1
68.47886	2.3
69.03410	4.3
69.07067	11.9
70.48069	8.1
71.04978	5.8
71.08630	24.5
79.05500	15.9
81.03420	49.1
81.07057	33.5
83.04993	12.9
83.08623	26.0
85.02898	25.7
85.10184	15.9
86.09709	17.0
90.74479	2.2
91.05477	21.1
93.07043	12.6
95.04982	20.4
95.08598	22.9
97.02885	7.1
97.06552	4.2
97.10165	8.1
105.07050	15.0
107.04952	6.7
107.08594	5.9
109.06525	3.5
109.10154	12.1
111.08061	8.0
114.92326	2.3
117.40928	2.7
119.08588	16.5
121.10153	7.8
123.11725	3.4
124.99986	14.7
129.06979	7.8
130.63995	2.3
131.08597	6.4
133.10109	9.2
146.72696	2.6
147.11708	12.1
149.09671	5.2
157.10130	10.8
159.60078	2.5
163.11108	2.8
165.12828	4.5
168.99809	2.3
175.11188	9.3
184.07346	66.8
185.07628	2.6
193.12256	32.2
211.13272	61.7
248.31337	2.7
259.64426	2.5
267.15906	19.5
285.16968	85.7
301.97229	2.3
313.27362	88.9
329.67038	2.7
426.33923	2.5
505.38934	14.5
523.39954	100.0
720.48505	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	720.4439
Annotation	KDdiA-PC
Peak:m/z	Relative Intensity
56.05030	0.7
57.07058	0.2
58.06617	0.3
59.02503	0.1
59.07368	0.1
59.80483	0.1
60.08160	6.2
67.05490	0.2
69.07065	0.2
70.06570	0.2
71.07366	3.2
71.08608	0.1
81.07049	0.2
83.08620	0.1
83.78094	0.1
86.09700	30.8
87.10055	0.2
91.05484	0.2
93.07053	0.1
93.78061	0.1
98.97787	0.1
98.98456	2.9
104.10061	0.2
104.10732	2.4
124.30423	0.1
124.99994	19.9
131.08548	0.1
143.01060	0.3
166.02719	0.3
184.07326	100.0
185.07648	0.5
227.75229	0.1
320.23782	0.1
394.90704	0.1
464.20197	0.2
496.34143	0.2
585.48108	0.1
720.44391	4.9
721.45001	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3969
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03797	0.4
53.03920	0.5
55.01876	0.6
55.05510	1.0
57.03438	2.0
61.02925	4.6
67.05508	4.5
69.03416	3.1
69.07072	1.0
71.04982	0.5
71.52141	0.6
73.02911	3.3
79.05489	4.7
81.03416	3.5
81.07060	3.8
83.04992	0.6
83.08633	1.0
85.02914	5.3
86.09723	0.6
91.03961	2.8
91.05479	2.9
93.07034	3.9
95.04963	1.7
95.08610	2.5
97.02888	4.1
99.04479	1.2
101.02398	1.9
103.67580	0.5
105.07032	2.2
107.04951	0.6
107.08611	1.2
109.02839	0.6
109.06545	0.6
109.10191	1.4
111.08105	0.7
119.08588	1.9
121.10168	1.6
125.09684	0.4
127.03941	1.5
129.07083	0.8
131.08548	1.3
133.10146	1.5
145.10118	0.7
147.11716	1.0
157.10156	0.8
175.11157	0.6
182.53535	0.5
184.07391	2.0
193.12273	1.2
196.21175	0.5
243.08475	2.5
390.76007	0.6
469.20471	8.0
481.49863	0.5
491.26291	4.1
719.39703	100.0
720.40167	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	720.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.9
53.03933	2.5
54.74214	0.9
55.01854	3.6
57.03422	2.2
61.02907	1.2
65.03925	1.3
67.05457	1.2
69.03418	9.2
70.06582	1.0
70.96320	2.1
73.02934	1.2
78.04728	0.9
79.05480	4.8
80.17896	0.9
81.03390	5.1
81.07037	1.4
85.02901	14.1
91.05480	13.9
93.07034	2.0
94.04178	1.4
95.04951	4.2
95.08588	1.2
97.02891	4.9
99.04449	2.0
103.03940	1.8
103.05457	15.7
105.07033	13.8
107.04956	28.9
109.02854	3.4
109.06535	1.5
111.04388	2.2
115.05421	3.7
117.07022	2.2
119.04941	11.2
121.06500	9.8
122.03592	3.7
123.08026	1.3
127.03901	8.3
129.06975	4.7
131.04918	21.6
131.08580	2.0
133.02853	8.3
133.06474	15.6
135.04388	2.3
135.08029	9.2
137.05972	100.0
143.04959	1.5
145.04968	3.4
145.06461	2.7
146.03664	1.8
146.07236	2.4
147.04407	12.8
147.08026	1.2
148.05164	2.2
149.05968	21.4
149.09531	1.6
150.06735	3.7
151.07542	38.1
157.06477	6.0
158.07103	1.1
158.65079	0.9
159.04510	1.1
160.05177	1.4
161.05972	74.3
161.09607	17.8
162.06689	4.1
163.07536	66.9
164.07869	1.4
165.05447	4.1
165.06818	1.2
165.09088	7.8
167.07028	4.1
167.08459	2.3
169.06432	2.1
173.05930	1.5
174.06796	3.4
175.07558	13.6
177.05461	5.2
177.09123	8.6
179.07045	18.0
179.10594	1.9
181.06458	1.2
181.06978	1.4
181.08588	12.9
183.10158	2.4
187.07539	2.6
189.05443	1.5
189.09090	47.3
189.79344	1.0
191.07034	9.5
193.06499	1.9
193.08530	1.6
193.10152	1.4
195.08043	5.1
195.10121	3.6
197.05896	1.6
201.09085	2.7
202.00879	1.0
203.06940	5.3
203.10710	1.2
205.08707	1.1
207.10162	94.1
208.10602	1.4
209.07990	1.4
210.06723	1.2
215.06964	2.7
217.08615	2.4
219.10162	5.3
221.05928	3.2
221.07831	1.5
221.09723	1.8
221.11612	1.4
223.07497	2.4
225.09227	2.0
225.11188	3.3
226.70570	1.0
227.07007	1.3
227.10783	5.3
229.08524	3.4
231.10144	1.7
233.08023	2.2
237.11325	1.5
241.08662	1.4
245.08095	2.4
247.09761	1.7
249.08989	1.5
249.11273	2.4
253.08537	2.8
253.12178	3.2
255.10085	5.9
257.08163	2.3
259.09698	1.0
261.11255	1.5
263.09100	1.6
265.08514	2.4
267.10040	2.8
269.08304	2.1
272.10483	1.3
273.11124	7.1
275.09119	2.5
275.12598	1.7
285.11176	6.3
287.12650	9.6
291.12262	13.2
293.10324	2.1
297.11163	3.8
299.12732	4.2
305.10312	1.8
308.56354	1.1
309.13364	2.3
311.12222	3.9
313.14337	17.4
316.74985	1.0
323.11267	3.3
325.14279	2.9
331.15381	54.1
332.15610	1.5
341.12381	2.3
342.23572	1.1
343.15408	13.0
344.15381	1.1
353.12885	0.9
418.54037	1.0
449.46585	1.1
469.18228	1.6
538.21320	1.2
542.28125	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.4647
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05021	0.7
58.06598	0.4
60.08165	6.2
67.05497	0.3
71.07378	2.5
71.51079	0.4
71.51476	0.4
73.38799	0.3
81.07048	0.3
86.09706	27.2
89.06019	0.4
98.98452	2.4
101.02174	0.3
104.10738	2.2
125.00001	17.4
133.08601	0.4
143.01070	0.5
153.80252	0.3
166.02791	0.3
184.07339	100.0
185.07635	0.9
384.22787	0.4
690.09290	0.4
718.46655	5.4
731.67346	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.465
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58503	0.2
56.05028	0.6
57.07063	0.2
58.06622	0.5
60.08162	6.0
65.38908	0.2
67.05503	0.3
69.87984	0.7
71.07372	3.2
81.07044	0.4
86.09704	29.3
87.10033	0.2
91.05451	0.2
95.08595	0.5
98.20780	0.2
98.98461	2.5
104.10735	2.2
107.53266	0.2
109.10138	0.2
112.07703	0.2
123.11695	0.2
125.00001	19.8
128.29456	0.2
143.01077	0.3
147.04361	0.2
163.11125	0.2
166.02650	0.2
184.07336	100.0
185.07681	0.6
195.00310	0.2
247.83884	0.2
251.20183	0.2
311.37061	0.2
343.34451	0.2
496.33893	0.2
718.46539	5.5
719.46167	0.3
749.03107	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.4735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.6
53.22796	1.9
55.05517	23.7
57.03441	15.4
57.07068	7.7
61.02923	3.1
67.05508	31.0
69.03381	2.2
69.07067	26.3
71.04984	6.6
71.53030	2.5
75.86149	2.3
79.05495	23.5
81.03421	49.6
81.07056	42.0
83.05001	12.3
83.08619	39.7
85.02921	18.1
86.09702	8.0
90.51292	2.3
91.05481	26.1
93.07043	24.3
95.04972	21.5
95.08612	17.2
97.02893	4.5
97.06519	6.4
97.10124	10.1
99.08092	2.7
105.07025	20.1
107.04967	7.3
107.08599	11.8
109.06530	3.2
109.10149	5.4
111.04440	4.8
111.08089	9.9
119.08586	17.3
121.03631	1.8
121.10138	19.3
123.11695	4.4
125.00028	2.6
125.09629	3.0
129.07005	7.8
131.08562	8.1
133.10115	9.5
135.11685	7.2
139.11200	2.5
147.11665	16.1
149.09612	4.3
149.13283	4.0
157.08983	2.2
157.10068	12.5
165.12740	3.9
175.11169	13.7
184.07344	27.9
193.12212	33.4
211.13293	60.7
211.15302	3.1
237.22079	3.3
255.23061	2.4
267.15936	20.7
285.16977	80.2
311.25784	73.4
503.37308	14.7
504.37701	2.1
521.38403	100.0
718.47034	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	716.4571
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.6
55.01861	2.8
55.05241	0.8
55.05509	14.1
57.03433	9.7
57.07076	4.9
59.04999	1.5
60.08139	1.2
61.02904	2.7
67.05182	1.1
67.05503	12.1
69.07068	13.0
71.04987	1.8
71.07349	0.9
71.08613	2.4
73.02901	0.8
79.05488	9.8
81.03417	6.3
81.06601	1.4
81.07053	21.1
83.01340	4.0
83.04983	5.7
83.08614	17.1
85.02915	4.4
86.09706	4.6
91.03960	1.3
91.05476	5.0
93.06487	1.5
93.07035	16.0
95.04966	3.1
95.08603	10.1
97.02881	2.9
97.06505	3.5
97.10155	4.9
99.04450	1.1
99.08074	1.8
105.07021	4.0
107.04949	4.5
107.08586	9.2
109.06496	3.6
109.10173	4.5
111.04431	1.0
111.08069	3.0
111.11717	0.8
117.07013	2.8
119.08598	3.9
121.06475	1.9
121.10142	10.7
123.08070	4.5
123.11685	1.6
124.99988	3.2
125.09627	2.8
131.08560	1.0
133.10121	0.8
135.07983	0.8
135.11694	10.7
145.10112	7.5
147.07983	1.2
149.13142	1.2
153.12727	1.2
163.11177	13.5
173.09601	2.3
181.12224	2.1
184.07338	16.1
185.07678	1.4
186.07771	0.9
191.10707	1.6
193.65451	0.7
195.00328	1.6
209.11716	4.4
219.21196	1.4
227.12769	3.3
237.22095	1.3
283.15387	100.0
284.15707	2.7
311.25790	56.8
312.26062	2.9
519.36786	37.9
519.42657	0.7
520.37256	1.8
645.97266	0.9
717.45831	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	716.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	1.4
53.03936	2.4
55.01854	2.3
55.05489	1.8
57.03434	5.8
57.07080	0.8
59.04998	4.3
61.02917	2.3
63.44695	0.7
65.03941	1.2
67.05505	9.4
69.03085	1.2
69.03427	13.3
69.07059	1.1
70.06594	1.1
70.88837	1.9
71.01349	3.5
71.04994	4.4
73.02905	2.3
75.04480	6.2
77.03924	1.0
79.05486	18.9
81.03404	8.0
81.07047	5.0
83.04505	0.9
83.04975	16.6
85.02896	8.9
85.06516	2.9
87.04475	3.9
91.05483	6.0
93.07036	7.5
94.04177	0.9
95.01315	1.6
95.04961	41.4
95.08581	1.5
97.02879	7.0
97.06522	1.1
99.04445	1.9
103.03939	4.8
103.05466	7.1
105.03390	1.5
105.07035	2.5
107.04946	86.4
108.05249	1.0
109.02870	36.0
109.06503	12.0
109.10203	1.3
111.04414	3.1
111.08039	0.7
113.05248	1.4
113.05992	20.5
121.02885	0.7
121.06484	13.6
123.00808	1.3
123.04413	6.0
125.02327	8.0
125.06021	3.6
127.03924	6.0
131.04950	7.2
131.05800	1.0
131.05998	1.3
131.07033	19.4
131.07980	1.6
133.02820	1.4
133.06442	1.0
135.04402	100.0
136.04718	1.1
136.06232	0.8
137.05974	7.1
139.03896	21.4
139.07477	1.1
141.01768	1.3
141.05481	3.5
145.04950	1.9
145.06381	1.0
147.04428	0.7
149.05981	23.4
149.08052	11.0
151.03889	31.3
152.04312	0.9
153.04317	1.4
153.05470	15.4
159.04401	6.3
159.06511	2.4
161.05901	1.7
163.07553	2.7
165.05461	47.0
167.03412	1.8
167.07031	24.6
167.09126	8.2
173.05963	0.9
175.07527	2.7
177.05458	46.0
177.07576	4.2
178.05864	1.3
179.05635	1.3
179.07039	4.1
181.08569	1.7
187.07518	1.2
191.07002	9.7
193.99934	0.8
195.06503	54.4
196.06783	2.0
197.08154	1.7
209.08072	59.3
210.08464	0.9
213.07648	2.1
227.09113	23.5
249.09442	1.0
251.09206	1.3
281.10330	1.1
307.11804	2.8
321.09744	1.4
325.12827	20.8
339.10745	4.9
339.14432	2.8
343.13843	30.7
357.15372	3.1
375.16495	5.8
445.64261	0.8
487.18170	3.0
505.19312	2.3
615.88995	0.9
716.24225	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.5512
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.6
55.05511	6.4
56.05046	4.3
57.07074	3.3
58.06589	0.5
60.04509	1.8
65.29544	0.5
67.05509	12.9
68.05006	1.0
69.03426	1.1
69.07069	7.3
70.06581	2.3
71.01802	0.5
71.08617	1.6
71.48318	1.0
79.05492	9.7
80.05018	2.9
81.03393	0.9
81.05795	1.5
81.07054	11.4
82.06581	6.6
83.08637	4.8
84.08102	0.6
85.02905	2.3
85.10188	0.7
91.05473	8.2
93.07046	9.5
94.06570	15.9
95.04959	1.4
95.07359	8.2
95.08012	1.1
95.08606	8.1
96.08128	4.2
97.02873	1.2
97.06513	0.6
97.10186	2.8
98.03957	0.5
103.96684	0.5
105.07034	5.8
107.08591	6.0
108.08102	3.0
109.10178	2.9
111.11752	0.9
112.02734	0.5
117.07104	0.6
119.08582	5.4
121.10132	5.1
122.09662	1.9
123.11732	0.9
127.03886	0.8
133.10112	2.8
135.10619	0.5
135.11662	3.2
136.11206	1.0
137.13252	0.7
147.11678	1.2
149.13260	1.3
184.07310	0.6
188.95509	0.5
193.19598	0.6
219.20871	0.6
220.20747	0.6
233.22607	3.1
245.22662	5.0
250.25281	9.0
262.25305	100.0
263.25635	2.3
272.25821	4.5
280.26398	7.5
312.25345	0.6
330.94904	0.7
380.74319	0.5
453.90320	0.5
470.47363	0.7
504.47827	4.0
516.47803	27.1
517.48102	0.8
518.49249	4.8
534.40997	1.0
534.48779	14.3
535.48712	0.6
696.53943	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	714.5509
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.7
55.05511	6.6
56.05043	4.6
57.07082	3.7
58.06601	1.0
60.04509	2.8
67.05505	11.2
68.05005	1.1
68.14629	0.8
68.50796	0.7
69.07066	7.1
70.06580	1.3
70.68068	0.9
70.68398	1.7
71.08621	1.5
79.05486	10.5
80.04996	3.5
81.05763	1.2
81.07053	11.0
82.06574	6.1
83.08622	4.6
85.02905	2.4
91.05484	8.3
93.07050	8.8
94.06567	18.1
95.04980	1.0
95.07345	7.2
95.08603	9.0
96.08135	5.7
97.02871	0.9
97.10162	3.4
105.07024	5.7
107.08595	5.5
108.08135	3.9
109.10145	3.2
111.11763	1.2
117.67212	0.8
117.80555	0.8
119.08572	5.7
119.77257	0.7
121.10135	6.4
122.09647	2.2
123.11705	1.3
133.10110	5.1
135.10461	1.1
135.11673	4.2
136.11201	1.8
136.64911	0.7
137.13196	1.0
147.11688	1.6
149.13246	1.4
160.36855	0.9
175.14867	0.8
221.22983	0.9
233.22630	4.8
245.22624	7.2
250.25330	7.5
254.24814	1.1
262.25290	100.0
263.23370	1.2
263.25769	1.6
272.25937	5.3
280.26358	9.1
311.89847	1.0
504.47812	4.3
516.47729	24.8
517.48169	1.6
518.49323	4.5
534.48682	16.0
535.48944	1.0
696.53595	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	715.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.3
67.01875	1.6
67.05501	0.4
69.03416	0.3
69.07057	0.3
69.96532	1.1
70.06602	0.3
79.05494	0.4
81.03419	0.5
81.07060	0.4
85.02930	0.4
91.05492	0.5
93.07057	0.3
95.04966	0.3
95.08617	0.3
97.06525	0.3
98.20853	0.3
102.04679	0.2
105.07047	0.3
107.04946	0.3
109.02897	0.3
111.00797	0.3
127.04014	0.3
133.06491	0.2
137.02367	0.2
137.06000	0.5
143.08296	0.2
151.03902	0.3
153.01826	5.8
165.05510	0.2
167.07071	0.4
171.02893	0.7
184.07347	0.3
237.05417	0.3
253.05077	0.7
254.05710	1.3
255.06277	0.4
257.04486	0.8
283.06287	0.3
286.04718	6.0
287.05508	0.6
288.05811	0.3
319.05893	0.3
361.07111	0.6
369.07626	1.3
385.07019	5.4
386.07846	0.7
401.10208	7.4
402.10345	0.3
403.08209	1.3
405.06049	0.6
427.08142	0.7
429.05994	0.5
445.09058	0.5
450.64423	0.2
485.13074	0.3
493.08676	0.3
495.07187	0.9
509.08853	0.3
511.10181	1.7
513.07733	0.3
521.08765	5.5
537.08203	16.1
538.08698	2.2
553.11304	100.0
554.11536	3.3
715.33868	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	714.4417
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	1.7
53.03942	3.9
55.01873	2.8
55.05507	15.5
57.03431	14.8
57.07075	1.8
57.56343	1.4
61.00146	1.4
61.02907	3.7
67.05500	70.9
69.03422	3.2
69.07066	13.1
71.04976	3.1
71.51068	2.0
79.05486	38.4
81.03411	46.4
81.07051	55.3
82.40279	1.3
83.04967	5.0
83.08613	7.3
85.02901	16.9
85.06526	1.8
86.09713	1.6
91.03940	2.0
91.05473	78.8
93.07037	58.1
95.04984	6.3
95.08600	54.2
97.02872	4.2
97.06521	4.0
97.10157	1.8
105.07019	17.1
107.04929	1.8
107.08580	19.4
109.06501	2.8
109.10152	32.1
111.08064	2.7
115.05465	2.5
117.06981	9.4
119.08574	88.5
121.06495	5.3
121.10136	15.9
123.08053	4.1
123.11693	5.4
125.00039	1.8
129.06993	2.4
131.08530	7.0
133.10115	8.8
135.08055	2.8
135.11670	10.5
137.08545	1.9
137.09602	37.8
137.13223	2.4
145.10135	8.6
147.08022	9.8
147.11650	5.5
149.13235	6.1
157.10141	1.8
159.11703	5.3
161.13219	2.4
163.07542	1.6
163.14828	2.8
165.09102	37.0
173.13234	4.8
175.14905	2.0
177.16354	1.4
183.10153	18.7
183.11641	2.4
184.07356	6.2
187.14793	2.6
193.12177	2.8
204.10147	2.3
211.13309	2.2
216.06566	3.1
239.12721	16.6
243.21088	4.5
248.09209	8.8
257.13815	57.7
261.22119	15.5
267.15973	1.8
280.11755	15.7
285.17020	4.6
286.99124	1.7
307.22659	4.4
317.24759	3.8
335.25772	100.0
378.09412	3.1
407.29523	2.5
425.30328	2.3
499.34366	14.7
517.35236	98.0
518.35846	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	714.3695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.1
55.01853	1.8
55.05512	14.2
56.78643	1.6
57.03428	2.3
63.45549	1.8
67.05506	23.9
69.03419	3.3
69.07071	11.6
79.05489	23.0
81.03420	9.1
81.07057	21.0
83.04970	4.7
83.08620	16.2
85.02926	4.7
86.09697	6.6
91.05476	22.7
93.07039	17.5
95.04968	87.8
95.08609	12.5
97.06529	3.6
97.10155	7.6
101.97053	2.0
103.05504	2.5
105.07025	18.7
107.04970	13.7
107.08604	9.6
109.02905	5.0
109.06503	4.2
109.10131	6.2
110.65451	2.0
111.08045	3.6
117.06997	7.0
119.04938	5.6
119.08594	15.4
119.61101	1.8
120.42628	1.9
121.06511	5.0
121.10135	5.9
123.00781	3.0
123.04421	20.9
123.08039	3.1
125.00022	3.7
125.09615	5.3
131.08548	6.8
133.10139	12.3
135.11693	4.0
137.09615	3.2
139.03842	2.3
143.08597	2.4
145.10164	10.8
147.04408	5.7
147.08041	3.5
147.11682	7.2
149.09596	14.1
151.03908	97.5
151.11182	3.3
155.08511	2.2
159.11659	6.9
161.13264	2.4
163.11171	17.0
165.05478	100.0
165.12836	2.3
167.07014	3.5
169.10133	2.7
171.11708	2.1
173.13216	3.1
175.03841	3.0
175.11183	2.6
177.12727	2.9
183.06476	3.7
184.07390	17.0
187.11084	3.0
189.11162	4.0
193.04919	21.3
197.13382	2.5
205.12280	2.1
207.06464	5.2
207.13788	2.1
211.05989	10.8
211.99190	1.9
223.13307	26.9
225.07585	52.9
229.19469	5.2
239.17935	5.5
243.08748	3.1
257.19034	8.9
273.58118	2.0
275.20062	80.8
291.19705	2.3
293.21106	57.8
294.21429	2.0
314.06714	2.0
475.30347	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	714.4417
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.7
55.01862	4.7
55.05511	22.7
57.03437	17.6
57.07080	1.9
61.02927	5.2
65.03935	2.6
67.05502	49.9
67.33625	1.1
69.03414	6.3
69.06770	1.2
69.07066	10.8
70.48129	4.1
71.04996	5.8
73.02927	2.0
77.42656	1.1
79.05489	52.1
81.03412	54.3
81.07050	47.2
81.07533	1.6
83.04973	15.5
83.08155	2.0
83.08615	23.9
85.02901	26.6
85.06528	2.7
91.03939	2.6
91.05478	37.7
93.07039	51.2
95.04959	25.3
95.08602	27.8
95.62163	1.1
97.02866	5.2
97.06530	5.3
97.10159	5.1
99.08103	3.7
105.07018	26.7
107.04945	6.3
107.08586	21.2
109.02825	1.2
109.06524	6.3
109.10149	10.4
111.04414	2.6
111.08074	11.6
113.05966	2.2
115.05440	1.9
117.07009	4.4
119.04974	1.3
119.08573	23.9
121.10138	25.0
123.08085	2.8
123.11692	7.7
125.09663	2.6
128.06223	1.5
128.75598	1.2
129.06996	11.9
131.08562	17.8
133.06503	2.2
133.10124	16.5
135.11694	14.9
137.09592	1.8
139.26897	1.1
142.07784	2.1
145.10135	6.7
147.08020	3.1
147.11671	18.4
149.09616	6.5
149.13260	4.4
151.11082	1.3
157.10101	11.4
159.11685	7.0
161.13359	2.0
163.11253	1.6
165.12718	2.7
173.13258	4.6
175.11159	14.3
184.07368	1.9
187.14899	1.6
193.12238	51.5
205.19553	2.1
211.13272	86.7
215.17932	17.4
216.22798	1.1
217.19650	1.4
220.09700	3.3
229.14401	1.1
233.19011	13.2
267.15906	15.8
285.16956	100.0
289.21729	1.2
307.22656	87.6
308.22775	1.5
318.07446	3.2
378.09341	4.3
407.29312	2.8
425.30396	2.3
499.34348	10.5
516.94843	1.2
517.35223	97.6
518.35382	2.6
544.14136	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.7
53.03951	2.9
55.01863	1.1
57.03428	0.8
65.03944	0.9
67.05495	3.3
68.04355	0.5
69.03430	6.3
69.52386	1.8
69.52808	1.7
70.84877	0.5
71.01350	2.1
71.04993	1.6
73.02894	0.7
77.03919	0.8
79.05483	7.6
81.03419	5.1
81.07061	2.6
83.04965	0.8
84.04531	0.6
85.02887	3.4
91.05455	3.3
93.07055	4.8
95.01329	0.6
95.04963	46.7
97.02885	10.3
97.06526	1.2
97.10258	0.6
99.04446	1.4
103.05466	7.1
105.03349	0.6
105.04507	1.2
105.07024	2.1
107.04953	46.4
109.02876	32.3
109.06517	2.7
111.04462	0.7
119.04923	1.0
121.06496	10.3
123.04426	11.2
125.02348	43.3
125.05965	3.6
127.03896	4.8
129.07016	0.6
131.04930	6.0
133.02864	1.7
133.06493	1.3
135.04399	4.5
137.06006	3.8
138.64122	0.5
145.04942	1.8
147.04378	1.7
149.04796	1.1
149.05969	17.7
151.03897	100.0
151.07454	1.4
152.04272	0.5
153.05463	10.6
159.04442	5.1
161.05978	1.7
165.05518	0.7
167.07033	3.1
175.03874	1.8
175.07613	0.8
177.05463	43.1
178.05818	0.5
179.06958	1.0
184.07364	0.6
191.07091	0.8
193.04982	0.6
195.06522	73.0
196.06845	1.0
203.06970	0.7
213.07558	11.2
247.07439	0.6
269.06439	0.7
295.08093	3.3
296.92648	0.5
303.08560	2.7
307.09738	0.6
321.09610	3.8
339.10657	11.3
357.11743	6.7
375.12717	0.6
382.13071	0.6
489.13693	2.0
515.15332	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.5351
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.9
55.01597	1.0
55.05513	5.4
56.05032	2.0
57.07066	4.1
59.34546	1.1
60.04524	1.9
65.82798	1.0
67.05503	8.8
68.05031	1.3
69.07050	5.4
71.08621	2.5
71.52634	1.1
79.05496	8.4
80.05013	3.6
81.07061	7.3
82.06579	6.4
83.08595	3.6
85.02885	2.0
91.05482	13.9
93.07040	8.7
94.06570	23.1
95.04945	1.9
95.07332	4.8
95.08603	6.4
96.08103	2.2
97.02866	1.3
97.10199	1.1
105.07017	10.2
106.06544	2.9
107.08611	4.9
108.08119	8.6
109.10156	3.4
117.07009	6.2
119.08575	7.3
120.08102	2.5
121.10155	3.2
122.09669	5.7
131.08569	6.6
132.08087	2.5
133.09039	2.1
133.10120	7.6
134.09676	5.8
135.11676	1.7
145.10098	4.0
146.09628	1.6
147.10417	2.4
148.11214	3.1
149.13274	1.4
159.11710	1.4
173.13222	2.2
231.21129	9.0
243.21042	6.8
248.23749	9.6
260.23740	100.0
271.75894	1.1
272.25784	4.4
278.24771	8.9
284.83206	1.2
502.46545	5.7
514.46167	11.4
516.47937	6.5
532.47223	24.8
694.52075	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	713.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.8
53.03939	2.6
55.01871	1.6
61.41204	0.4
65.03959	0.7
65.86861	0.4
67.05486	3.1
69.03434	7.4
69.22682	5.5
69.23023	0.8
71.01356	1.8
71.05000	0.8
73.02938	0.6
77.03942	0.8
79.05490	7.5
81.03413	6.0
81.07056	2.0
83.04983	0.8
85.02909	4.1
91.05486	3.5
93.07059	4.3
95.01307	0.6
95.04966	48.5
97.02891	13.2
97.06521	0.7
98.21564	1.2
99.04456	1.4
100.10091	0.5
103.05472	5.2
105.03385	1.0
105.04501	0.9
105.07043	1.0
107.04956	49.5
108.55576	0.6
109.02879	36.4
109.06521	3.4
110.03165	0.5
111.04452	0.5
119.04942	0.6
121.06496	11.3
123.04430	12.4
125.02351	50.1
125.05981	3.9
127.03921	6.3
129.05505	0.8
131.04936	5.1
133.02870	2.2
133.06554	0.8
135.04431	4.8
145.04967	1.6
147.04387	0.8
149.05974	20.2
151.03902	100.0
152.04190	0.9
153.05443	8.6
159.04420	4.7
161.05983	0.6
163.03891	0.7
167.03288	1.0
167.07042	1.1
169.05006	0.8
175.03888	1.7
177.05466	43.4
189.07600	0.6
193.04994	1.1
195.06532	77.0
196.06882	0.9
199.31641	0.5
203.06931	0.5
213.07564	8.0
251.08972	0.8
269.06552	0.9
269.10257	0.6
277.07205	0.7
285.07626	0.7
295.08035	3.8
303.08716	1.8
321.09756	4.0
324.09888	0.6
339.10751	12.8
357.11804	9.4
489.13895	2.4
624.32678	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27715	0.4
51.28209	0.5
53.03946	2.8
55.01870	1.7
57.03422	0.6
65.03945	0.8
67.05518	2.7
69.03428	8.5
69.58034	3.4
71.01350	2.0
71.04977	1.3
73.02919	0.5
77.03923	1.1
79.05492	7.5
81.03420	6.6
81.07043	2.0
83.04967	0.9
85.02917	4.6
89.22742	0.5
90.50951	0.4
91.05486	3.4
93.07047	5.1
94.93410	0.4
95.01321	1.1
95.04966	55.9
96.05315	0.6
96.44897	0.4
97.02888	13.1
97.06516	1.1
98.12794	0.4
99.04464	1.4
103.05470	6.7
105.03393	1.3
105.04505	1.1
105.07023	1.6
106.33821	0.5
107.04954	57.1
108.05290	0.6
109.02879	38.3
109.06512	3.4
110.41076	0.5
111.04452	0.7
117.07051	0.5
119.04942	0.7
121.06496	11.9
123.04430	12.4
125.02353	53.1
125.05965	4.1
126.02653	0.6
127.03922	6.0
129.05409	0.7
131.04948	5.7
133.02873	1.9
135.04416	5.0
145.03915	0.5
145.04979	1.7
147.04410	1.1
149.05978	19.5
151.03900	100.0
152.04280	1.3
153.05460	9.9
159.04424	5.0
167.03435	0.9
167.07040	1.3
169.04924	0.7
175.03889	1.8
177.05467	42.0
178.05801	0.6
189.07576	1.0
195.06528	74.6
203.07225	0.5
213.07568	8.7
233.08183	0.4
246.70222	0.5
269.06601	0.5
286.80423	0.4
287.07532	0.6
295.08109	3.4
303.08630	1.4
321.09586	4.2
339.10736	11.8
357.11752	7.5
489.13794	2.1
514.51581	0.4
515.15704	0.5
533.16724	0.7
651.18805	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.4264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	2.7
55.01871	6.7
55.05510	16.8
57.03436	13.6
57.07060	2.9
58.36797	0.6
59.04991	1.6
61.02930	4.4
65.03934	1.5
67.05502	34.9
69.03413	2.8
69.07072	6.9
70.04335	2.8
71.01321	1.0
71.04980	3.3
73.02904	1.4
73.83835	0.6
79.05493	36.1
81.03416	7.9
81.07053	34.5
81.07487	0.6
83.01339	7.1
83.04971	9.4
83.08163	1.0
83.08617	12.2
85.02901	7.0
85.06523	1.4
91.03950	2.3
91.05476	20.0
91.88913	0.6
93.07041	43.0
95.04976	6.7
95.08600	20.0
97.02888	4.6
97.06525	4.1
97.10171	3.5
99.04454	1.7
99.08094	2.1
103.05499	0.7
105.04514	1.1
105.07031	14.3
107.04956	5.4
107.07880	1.2
107.08589	20.2
109.02901	1.0
109.06505	5.1
109.10143	9.3
111.04414	2.3
111.08064	2.8
117.07024	10.4
119.08587	11.2
121.06480	2.0
121.10147	15.5
123.08063	7.9
123.11679	3.8
125.05952	1.6
125.09634	3.0
129.06985	2.2
130.07817	1.0
131.08563	9.8
133.10109	9.3
135.08014	3.3
135.11685	18.6
137.09613	1.9
137.13248	1.1
143.08568	1.3
145.10117	15.5
147.08046	1.4
147.11670	4.6
149.09630	2.0
149.13261	5.3
151.11208	1.0
153.12733	2.3
157.10077	1.2
159.11696	5.4
161.13223	1.5
163.11189	17.2
171.11647	1.7
173.09596	2.1
173.13263	5.2
177.12825	0.9
181.12212	3.0
184.07367	2.0
185.13208	0.8
187.14778	2.2
189.11174	1.5
189.16464	1.0
191.10638	2.7
193.12241	1.1
199.73105	0.8
205.19620	1.8
209.11786	6.0
211.13304	1.2
215.17935	16.5
227.12772	7.3
233.18996	15.1
271.20529	3.2
283.15390	100.0
284.15628	3.3
289.21622	2.6
305.21188	0.8
307.22678	54.1
308.23032	2.1
353.18527	0.7
405.28036	1.8
423.28925	2.6
441.29956	1.5
497.32611	2.7
515.33661	33.1
516.34033	1.9
533.34827	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.4259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.2
53.12421	0.7
55.01863	2.6
55.05508	9.9
57.03441	7.2
57.07052	1.2
59.04991	0.7
61.02924	0.9
65.03919	0.9
66.56327	0.8
67.01865	0.9
67.05501	25.3
68.99803	0.8
69.03436	1.0
69.07069	6.9
69.29204	6.8
71.04978	2.2
77.03915	0.6
79.05490	27.0
80.05823	0.8
81.03407	2.2
81.07050	23.0
81.75106	0.7
82.08263	0.7
83.04963	2.6
83.08611	6.3
85.02892	1.5
85.06535	1.8
86.09727	1.4
91.03925	0.7
91.05478	11.7
93.07040	38.8
95.04958	5.1
95.08603	27.3
96.08948	0.8
97.02887	3.2
97.06525	2.6
97.10152	1.3
99.04429	2.9
99.08080	1.2
105.04517	0.8
105.07021	11.1
105.80686	0.6
107.04945	4.4
107.08582	20.8
109.06506	1.5
109.10164	6.3
111.04433	0.9
111.08078	1.0
117.07024	7.8
119.08575	9.0
121.06495	3.2
121.10137	14.8
123.08070	1.1
123.11721	1.2
125.00011	0.9
125.05976	1.8
125.09637	0.8
128.07860	0.6
130.07755	0.9
131.08563	3.5
133.10152	4.9
135.04408	3.1
135.08060	0.8
135.11682	31.7
136.04712	1.6
137.02347	1.0
139.07521	1.0
143.08543	1.1
145.10117	18.9
147.11633	0.7
149.13251	2.2
153.01817	8.2
153.12721	1.1
154.02130	2.2
155.02299	2.7
159.11653	2.3
161.02351	1.1
161.13200	0.7
162.02692	0.8
163.11169	35.4
163.14821	0.8
171.02875	1.8
173.09596	0.7
173.13187	1.7
181.12221	5.4
184.07350	4.9
205.19513	0.8
215.17964	5.1
226.39354	0.8
227.12769	42.1
233.18977	5.3
283.15378	55.6
284.15765	0.8
287.05487	83.4
288.05820	100.0
289.06030	87.7
290.06296	35.2
291.06503	0.7
307.22665	46.4
308.23111	0.9
414.23935	0.7
515.33661	44.2
516.33807	1.0
538.66010	0.7
712.32379	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.4259
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65210	1.7
53.03939	5.1
55.01872	10.1
55.05507	17.0
57.03437	20.9
57.07059	3.3
58.06581	3.5
60.08149	1.9
61.02919	8.4
63.70517	1.8
65.03924	4.6
67.05505	64.6
69.03401	2.8
69.07068	15.7
71.04298	4.1
71.04976	3.6
79.05496	69.7
81.03426	11.0
81.07055	57.5
83.01344	10.3
83.04971	2.9
83.08606	5.5
84.35609	2.0
85.02453	1.8
85.02887	11.1
86.09700	13.0
86.75350	1.6
91.05480	82.2
93.07043	62.3
93.63278	1.8
95.04978	8.9
95.08604	41.2
97.02894	5.3
97.06520	3.1
97.10163	4.1
104.17200	1.7
105.07030	20.7
107.04944	6.9
107.08595	51.0
109.06530	4.3
109.10168	18.7
111.04413	2.1
111.08117	2.6
115.05463	7.6
117.07016	51.0
119.08567	15.5
121.06524	1.9
121.10143	16.5
123.08100	1.7
123.11673	6.0
125.00021	9.4
125.09719	3.0
131.08583	12.6
133.10107	10.5
135.08057	62.1
135.11673	15.3
137.09633	3.0
143.07027	1.9
143.08607	2.2
145.10152	12.3
147.11664	7.3
149.13248	6.9
153.09097	3.0
159.11723	7.5
161.13258	3.9
163.07536	7.0
163.14815	5.6
173.13248	5.5
177.16360	2.1
181.08557	2.9
184.07333	39.3
187.14803	3.8
199.09662	6.2
213.16417	2.0
243.21046	6.4
255.12276	79.8
259.20596	2.2
261.22159	17.9
299.23819	2.9
317.24609	4.8
335.25790	100.0
336.26132	2.8
373.19565	2.1
423.29031	2.0
497.32535	5.7
515.33679	68.2
516.33600	2.5
724.33105	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03899	0.1
55.01869	0.1
57.03442	0.8
66.37933	0.1
67.01873	0.3
68.99821	0.2
69.03432	0.5
69.33890	0.3
69.34309	0.7
71.04990	1.7
73.02912	1.2
75.04482	0.2
81.03406	0.2
83.04972	0.2
85.02901	2.6
87.04431	0.2
91.05483	0.3
97.02900	0.4
109.02913	0.1
115.03909	0.2
119.04935	1.1
121.02855	0.3
125.02393	0.1
127.03995	0.1
129.05457	1.0
131.04922	0.1
137.05977	1.9
145.02795	0.6
145.04881	0.2
147.06519	0.4
151.03926	0.2
153.01822	3.0
154.99890	0.1
163.03896	0.4
167.07004	0.3
171.02904	0.4
181.04964	0.4
187.03926	0.2
191.14447	0.2
203.07002	0.2
225.05508	0.3
225.07458	0.1
229.04948	0.3
243.06477	0.1
271.06003	100.0
272.06323	3.7
283.05957	0.1
313.07065	0.2
357.13324	0.2
373.13965	0.2
385.84018	0.1
414.71130	0.1
433.11368	1.3
579.17120	3.3
580.16772	0.2
617.67566	0.1
635.68329	0.1
637.24219	0.1
711.25055	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99802	0.1
55.05489	0.3
67.01850	0.4
67.05502	0.6
68.99800	0.3
69.03422	0.1
69.07053	0.3
71.51012	0.1
79.05473	0.3
81.03394	0.3
81.07058	0.5
82.07368	0.1
83.08611	0.2
83.83552	0.1
86.09669	0.2
89.03922	0.2
91.05444	0.3
93.07025	0.4
95.04995	0.1
95.08582	0.4
97.02873	0.1
97.10190	0.1
98.98476	0.1
105.07014	0.2
107.04958	0.1
107.08574	0.2
109.02892	0.1
109.10136	0.2
117.03369	0.1
118.15096	0.1
119.08562	0.2
121.10136	0.2
123.11717	0.2
125.00014	0.1
127.03844	0.1
129.01820	0.2
130.58667	0.1
135.04404	1.3
137.02347	0.4
153.00566	0.2
153.01819	4.2
161.02324	0.7
163.03839	0.1
171.02896	0.8
171.04306	0.1
179.03374	0.3
184.07320	0.4
185.06059	0.2
187.03979	0.1
199.03923	0.1
203.03378	0.1
213.05414	0.2
217.04948	0.1
219.06480	0.2
241.04860	0.5
245.04272	0.2
249.50165	0.1
263.05457	0.1
269.04428	0.4
287.05481	100.0
288.05820	3.3
344.98495	0.1
355.15213	0.2
363.85629	0.1
429.18893	0.3
496.96802	0.1
521.38611	0.1
540.98096	0.1
711.33173	0.5
711.44452	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44835	0.0
53.07912	0.0
55.05494	0.1
67.01862	0.4
67.05497	0.3
68.99442	0.1
68.99775	0.4
69.03411	0.1
69.07046	0.0
70.15417	0.2
76.01826	0.0
79.05500	0.2
81.03423	0.2
81.07047	0.2
85.02861	0.1
89.03902	0.1
91.05459	0.1
93.07025	0.2
95.04948	0.0
95.08588	0.1
97.02878	0.1
105.06998	0.1
107.04943	0.1
107.08569	0.1
109.02851	0.1
109.10165	0.1
111.00816	0.1
111.04417	0.1
117.03387	0.2
117.07021	0.1
121.10093	0.1
125.02383	0.1
127.03886	0.1
129.01830	0.2
131.08556	0.1
133.14815	0.0
135.04407	1.3
135.11665	0.1
137.02327	0.6
145.10092	0.0
147.04274	0.0
152.68309	0.0
153.01819	4.6
154.02269	0.1
161.02315	0.7
161.03580	0.1
171.02884	0.8
171.04301	0.0
177.05450	0.1
179.03415	0.3
184.07472	0.0
185.05931	0.1
189.05389	0.1
195.76479	0.0
199.03787	0.1
201.05554	0.0
203.03319	0.1
213.05446	0.1
217.05061	0.0
218.05882	0.1
219.06551	0.1
231.06442	0.1
241.04926	0.6
245.04430	0.2
259.06100	0.1
261.22076	0.1
263.05585	0.1
269.04410	0.5
270.05212	0.1
286.04352	0.1
287.05475	100.0
288.05804	2.4
449.10596	0.1
537.37683	0.1
679.78412	0.0
709.32349	0.4
709.43433	0.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.1
55.01863	3.1
55.05519	10.7
57.03440	10.0
59.04982	1.1
64.74211	0.8
67.05183	1.5
67.05509	16.7
69.03419	4.4
69.07059	4.4
69.16142	0.9
70.06582	1.3
71.01378	0.9
71.04982	3.2
71.51615	1.5
79.05068	1.5
79.05492	17.1
81.03419	77.5
81.07056	17.3
83.04978	10.4
83.08618	19.5
85.02912	13.6
86.09706	2.9
91.04908	1.4
91.05477	23.9
93.07043	12.4
95.04385	1.6
95.04969	24.7
95.08608	10.0
97.02882	3.3
97.06535	6.0
97.10198	4.9
99.04494	0.8
103.05489	1.1
105.07039	17.5
107.04959	9.4
107.08594	6.9
109.02864	3.0
109.06525	5.5
109.10144	4.5
111.04444	3.5
111.08086	7.2
113.06023	1.3
115.05463	1.6
117.07018	2.1
119.04942	0.9
119.08582	14.3
121.06489	3.7
121.10139	7.1
123.04367	1.5
123.08026	2.4
123.11728	0.9
124.99984	2.9
125.06020	0.9
125.09607	3.2
127.03980	1.2
128.06261	1.6
129.07001	9.5
131.04926	2.1
131.08578	11.1
133.06500	4.0
133.10153	7.5
135.04387	1.0
135.08064	2.1
135.11656	1.4
136.60358	0.8
137.05974	4.7
137.09627	2.5
137.84171	0.8
142.07764	2.0
143.08598	1.0
145.06490	4.3
145.10107	2.5
147.04422	1.1
147.08012	5.7
147.11697	9.8
149.06013	1.3
149.09630	7.5
151.03917	1.1
151.07523	1.6
153.09106	1.0
155.08531	1.0
157.06422	1.1
157.10138	11.6
159.07999	1.6
160.05011	0.8
161.05927	2.1
161.09602	1.2
163.03889	2.3
163.07588	1.3
163.11206	2.0
165.05507	1.3
165.12743	1.7
167.07010	2.4
169.10066	1.0
171.08020	1.0
175.07578	1.4
175.11189	13.7
177.05508	1.4
184.07378	8.7
187.11171	1.0
189.11172	1.3
191.06880	0.8
193.12260	31.9
195.11790	1.6
199.07385	0.9
199.11179	1.2
211.11255	0.9
211.13271	17.0
213.08961	1.0
215.14182	1.0
219.13860	1.8
221.05788	0.9
249.14915	2.1
255.13783	1.8
257.04465	2.9
258.04880	1.1
259.09744	1.6
259.12994	1.0
267.15918	100.0
268.16129	1.8
273.14804	3.8
278.09225	0.9
285.16992	17.2
287.05353	3.8
288.05804	2.3
293.17648	1.0
339.23322	1.9
341.21262	1.2
349.21680	3.5
367.22739	7.6
383.11206	6.0
384.11621	11.7
385.12286	1.1
385.23651	10.1
401.12259	10.2
402.12653	18.1
403.12903	1.3
403.24619	2.4
415.24915	1.1
423.25214	1.0
433.25879	12.4
441.26532	5.4
459.27420	56.7
460.27740	1.4
463.23398	1.9
472.91986	0.9
477.28473	41.5
478.28433	1.2
495.29291	2.5
519.29462	1.1
582.69592	0.9
692.35773	1.7
710.25623	1.9
710.37683	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	707.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.1
55.05498	0.1
67.01862	0.5
67.05497	0.3
68.99783	0.4
69.03420	0.2
69.07065	0.1
70.58061	0.2
79.05491	0.4
81.03404	0.3
81.07037	0.2
83.04977	0.1
83.08599	0.1
85.02871	0.1
87.64229	0.1
89.03905	0.2
91.05465	0.3
93.07034	0.3
95.04962	0.1
95.08610	0.1
97.02871	0.1
97.06505	0.1
105.07029	0.3
107.04944	0.1
107.08596	0.1
109.02867	0.1
109.10130	0.1
111.00797	0.1
111.04436	0.1
117.03365	0.2
117.07017	0.1
117.81047	0.1
119.08560	0.2
121.10176	0.1
127.03881	0.1
129.01801	0.1
129.07007	0.1
131.08568	0.1
133.10085	0.1
133.82191	0.0
135.03409	0.1
135.04402	1.5
135.11670	0.1
137.02348	0.5
143.08554	0.1
145.10085	0.2
147.11623	0.1
149.09711	0.1
150.49870	0.1
153.01817	5.1
154.02223	0.1
157.06441	0.1
159.11600	0.1
161.02324	0.7
161.13191	0.1
165.01817	0.1
171.02872	0.9
171.04315	0.1
171.11676	0.1
179.03409	0.4
183.11578	0.1
184.07394	0.1
185.06013	0.1
199.03798	0.1
201.05484	0.1
203.03429	0.1
213.05455	0.1
218.05762	0.1
219.06514	0.1
241.04951	0.5
241.19432	0.1
245.04491	0.2
259.06036	0.1
259.20572	0.2
263.05652	0.1
269.04330	0.4
270.04886	0.1
271.05997	0.5
286.04575	0.1
287.05475	100.0
288.05820	2.5
299.05493	0.5
311.06058	0.1
367.11884	0.1
405.12704	0.1
707.30090	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	707.4366
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	9.8
55.01862	8.5
55.05510	40.3
57.03440	19.5
61.02915	4.9
63.47367	2.5
65.03934	4.0
65.30761	2.8
65.84225	3.4
67.05502	83.5
69.03429	20.8
69.07066	23.0
71.04984	6.6
71.51365	3.3
79.05498	63.4
81.03416	100.0
81.06599	5.2
81.07055	90.6
83.04977	40.6
83.08619	24.3
85.02901	19.2
85.06530	4.4
86.09695	4.5
88.76341	2.7
91.05484	54.1
93.06483	4.7
93.07043	58.6
95.04970	31.3
95.08611	55.2
97.02895	26.3
97.06521	11.5
97.10146	8.9
99.04408	6.6
99.08093	3.7
105.07025	43.9
107.04944	10.9
107.08589	30.4
108.87218	2.6
109.02867	11.4
109.06495	8.7
109.10162	31.0
111.04433	21.0
111.08080	12.4
117.07037	13.8
119.08586	39.0
120.08946	3.4
121.06508	3.6
121.10129	27.7
123.08056	6.5
123.11689	8.0
127.03915	10.7
128.06183	5.0
129.05446	11.7
129.07008	19.0
131.08575	25.4
133.06500	3.0
133.10110	20.2
135.08037	3.2
135.11687	17.6
137.09650	4.6
141.06944	3.0
143.08582	4.8
145.06404	2.7
145.10136	19.3
146.10474	2.7
147.08032	6.6
147.11710	24.8
149.09599	10.8
149.13243	10.7
153.12729	4.4
155.08455	3.0
157.10146	16.9
159.11694	8.7
161.09526	4.3
161.13301	6.1
163.03844	5.1
163.11166	10.9
165.12746	7.1
171.11650	7.7
173.02359	3.5
173.13232	6.7
175.11205	13.9
181.12204	8.4
184.07350	12.1
185.13232	5.3
187.14767	4.2
191.10631	8.2
193.12262	39.5
201.12379	3.3
202.16011	3.6
209.11693	3.0
211.11337	5.3
211.13275	64.9
211.15279	3.4
227.12842	15.8
229.14384	5.4
243.20993	3.0
261.22110	12.2
264.04282	2.9
267.15884	7.8
283.15411	10.0
285.17017	21.1
311.12820	4.4
313.21613	3.6
335.25723	38.1
337.27264	9.8
369.24164	6.4
423.35568	3.4
427.19775	4.6
429.20532	5.6
527.37061	9.4
545.38336	44.0
671.40759	6.8
679.40839	3.7
689.42114	23.6
707.28424	2.6
707.41858	19.4
708.40833	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	708.4804
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.6
56.05029	0.6
57.03425	0.3
57.07057	0.5
58.06613	0.6
60.08162	5.6
60.69643	0.2
66.87543	0.3
67.05495	0.9
69.07063	0.4
70.11932	0.2
70.95830	0.7
71.04980	0.3
71.07377	3.3
71.08634	0.4
79.05492	0.4
81.03422	0.3
81.07041	0.5
83.08607	0.3
86.09706	29.4
91.05457	0.4
93.07020	0.6
95.08618	0.3
98.23768	0.2
98.98469	3.4
104.10720	2.0
107.08546	0.3
108.98032	0.3
109.10122	0.4
125.00000	20.9
133.10144	0.3
166.02644	0.3
173.11667	0.3
184.07336	100.0
185.07741	0.4
409.44406	0.3
496.34314	0.3
519.37524	0.3
537.37885	0.6
610.45313	0.3
676.45917	0.6
708.48273	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	707.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70301	0.3
57.03424	0.5
61.02935	0.4
64.57111	0.3
66.85309	0.3
69.03403	1.0
71.10624	0.6
71.10999	0.3
73.02885	0.5
81.03387	0.9
82.99854	1.2
85.02905	2.0
86.03161	0.3
94.99828	0.6
95.76736	0.3
97.02853	1.1
101.00870	3.7
101.15719	0.3
105.11108	0.3
109.02850	0.4
110.01363	0.3
113.00855	0.8
119.01913	11.9
120.01888	0.3
122.01363	2.2
122.51433	0.5
127.02386	1.4
127.03867	1.1
128.01329	0.8
131.01900	9.1
131.51971	1.5
132.01776	0.7
133.03452	0.3
134.01340	0.3
137.01855	3.8
137.02927	1.8
137.51953	0.9
139.02419	0.4
142.52638	0.5
143.01889	16.0
143.51918	1.3
145.03456	7.4
145.04762	0.5
146.02391	0.4
147.01328	0.9
149.01860	1.1
149.02921	0.6
149.51956	0.3
152.02446	2.6
152.32181	0.3
152.52550	0.6
155.01872	8.1
157.02295	0.3
157.03477	3.8
158.02434	1.7
158.52344	0.3
161.02956	19.5
163.04552	0.5
164.02419	1.0
164.18643	0.3
164.52518	0.4
167.01840	4.7
167.02994	0.3
169.03442	2.4
170.02420	0.6
171.01410	0.3
171.05040	2.4
171.72757	0.3
173.02951	20.4
173.52997	1.3
174.03004	1.0
175.04495	1.3
176.06088	0.4
179.01762	2.0
179.53029	0.4
181.03506	0.7
182.03473	1.5
184.04514	0.5
185.02945	34.8
186.03059	0.9
187.04518	3.7
188.03407	0.6
191.03952	0.6
193.03506	0.6
194.03433	0.9
196.04527	0.7
197.02946	13.1
199.04504	0.7
203.03998	15.2
203.54140	1.4
204.04034	0.7
208.04567	0.9
209.02908	1.2
211.54605	0.4
212.04500	1.3
215.03983	8.9
221.05006	0.8
223.55444	0.5
224.04553	1.2
224.54512	0.4
227.03987	8.8
233.05035	0.5
238.05693	0.4
239.05397	0.3
243.01802	0.3
245.05057	100.0
246.05240	3.7
254.05579	1.3
254.55655	0.4
257.05069	5.4
258.05417	0.4
261.02640	0.3
263.06131	14.3
264.06265	0.5
275.06091	10.7
283.06802	0.7
283.10239	0.3
284.06674	5.5
284.53940	0.3
284.56747	1.9
286.07709	1.1
293.07190	3.8
305.07153	10.8
306.07031	0.3
317.06998	0.4
335.08185	3.7
347.08160	1.1
364.09668	0.4
365.09277	43.3
365.59409	1.3
366.09454	1.7
376.75632	0.4
383.10370	3.4
406.11859	0.8
407.10452	0.7
425.11386	35.1
426.11740	1.8
437.11279	2.1
455.12509	1.9
485.13333	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.209
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.7
58.99847	0.3
59.71379	0.3
59.85497	0.3
62.04336	0.2
68.98897	0.3
69.03406	0.3
70.20901	1.2
82.99904	1.0
85.02869	0.6
94.99821	0.4
97.02887	0.7
101.00870	3.6
109.02902	0.6
110.01438	0.5
113.00867	0.9
119.01923	9.9
119.95030	0.3
122.01415	1.9
123.01243	0.3
127.02412	0.8
128.01434	0.5
131.01903	9.9
131.51967	1.1
132.01854	0.4
137.00887	0.5
137.01889	4.5
137.02950	1.1
137.52016	0.9
139.02415	0.3
140.02419	0.3
143.01898	17.9
143.51988	0.8
144.01778	0.3
145.03462	7.0
146.02382	0.5
146.77637	0.3
147.01358	0.7
149.01907	1.8
149.02921	0.4
149.51974	0.5
152.02428	3.4
152.52545	1.0
155.01886	7.8
157.03487	3.2
158.02425	1.1
158.52596	0.4
161.02957	16.9
162.03001	0.5
163.04497	1.1
164.02441	0.9
167.01862	5.1
167.03065	0.4
169.03499	2.2
170.02434	0.3
171.05066	2.1
173.02965	19.8
173.53099	1.6
174.02959	0.6
175.04535	1.5
178.53928	0.3
179.01753	1.9
179.03209	0.5
181.03394	0.4
182.03474	1.2
184.04504	0.6
185.02959	33.0
186.03111	0.6
187.04515	3.6
188.03479	0.7
189.06207	0.3
191.04012	0.8
194.03474	0.9
196.04643	0.5
197.02959	12.3
198.03088	0.4
199.04535	0.4
203.04012	15.4
203.54031	1.4
208.04576	0.9
209.02945	0.9
212.04553	0.7
215.04007	9.2
221.05035	1.0
223.55534	0.4
224.04533	1.9
224.54521	0.7
227.04001	8.0
227.95464	0.3
233.05051	0.6
239.04094	0.8
243.01883	0.5
245.05074	100.0
245.50896	0.3
246.05269	2.6
254.05589	1.5
257.05066	5.0
263.06134	13.7
269.73187	0.3
275.06110	10.2
276.06171	0.7
282.81531	0.3
284.06644	4.2
284.56766	1.2
286.07666	0.8
287.06055	0.5
293.07162	2.9
305.07153	9.4
317.07159	0.6
335.08237	3.6
347.08203	0.7
365.09296	35.7
365.59424	1.5
366.09454	1.3
374.10284	0.3
383.10345	3.2
406.11890	0.6
407.10431	0.3
425.11411	27.1
426.11542	0.8
437.11383	1.9
455.12460	1.2
485.13138	0.5
537.19489	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.4645
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05021	0.5
58.06361	0.2
58.06619	0.5
59.56372	0.1
60.08161	5.6
66.01127	0.1
69.81114	0.3
69.81522	0.6
71.07368	3.2
84.58244	0.1
86.09701	27.8
87.10040	0.2
98.84682	0.2
98.98461	3.0
104.10732	2.2
114.00652	0.1
117.71628	0.2
124.99997	18.6
143.01047	0.2
184.07330	100.0
185.07712	0.9
208.61328	0.1
446.62781	0.1
448.24420	0.2
480.94168	0.2
496.34332	0.2
599.04608	0.2
688.44525	0.2
706.46478	6.7
707.46613	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.4647
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56417	0.4
55.05494	0.3
56.05019	0.5
57.07063	0.4
58.02401	0.3
58.06606	0.5
60.07848	0.3
60.08165	5.8
67.05489	0.8
69.07068	0.4
71.07044	0.3
71.07372	3.5
71.08639	0.4
71.52968	0.4
71.53362	0.4
79.05476	0.4
81.07040	0.9
81.61241	0.3
82.60933	0.3
83.08624	0.4
84.04120	0.2
86.09702	31.2
87.04451	1.4
87.10057	0.5
91.05465	0.6
93.07012	0.6
95.08596	0.6
98.21129	0.4
98.98457	2.8
104.10742	2.9
107.08615	0.5
109.02979	0.3
120.97505	0.3
124.99997	19.7
143.01076	0.5
184.07335	100.0
185.07701	2.0
186.07777	1.1
234.00235	0.3
298.58276	0.3
422.76184	0.3
450.63385	0.4
608.44427	0.3
706.46423	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	706.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59874	0.7
53.00301	2.2
53.03937	2.9
55.01864	4.5
55.05506	18.1
57.03433	14.1
59.04991	2.8
61.02914	4.9
62.87415	0.9
64.95394	0.8
65.03934	1.5
67.05501	22.8
69.03427	5.7
69.07065	6.9
71.01339	1.7
71.04981	4.0
71.51526	1.1
71.52187	0.8
73.02916	1.5
78.43361	0.8
79.05487	23.1
81.03413	47.2
81.06593	1.7
81.07051	27.7
83.01366	1.1
83.04982	14.4
83.08614	24.5
84.83654	0.7
85.02896	20.8
85.06531	3.1
86.09724	1.6
87.04481	1.0
91.03935	1.3
91.05475	33.8
93.07038	23.0
95.04962	22.3
95.08593	10.6
97.02879	8.6
97.06524	9.6
97.10168	3.9
99.00806	13.5
99.04474	1.8
99.08084	1.2
103.05461	1.9
105.07024	26.1
107.04953	9.0
107.08581	9.6
109.02879	8.8
109.06523	4.2
109.10139	4.5
111.04446	3.8
111.08065	8.8
113.06034	2.6
115.03921	2.3
115.05425	1.5
117.07021	3.7
119.04919	2.0
119.08566	19.8
119.09383	1.5
121.02947	0.9
121.06503	7.7
121.10130	7.2
123.04419	2.1
123.08053	3.9
123.11684	2.9
125.00013	1.4
125.09620	2.1
127.03889	3.1
128.06226	1.5
129.06985	8.6
131.08546	10.3
133.06451	4.1
133.10121	33.3
133.29099	0.9
135.04427	1.0
135.05963	0.9
135.08012	1.9
135.11702	3.1
137.05974	3.6
137.09605	2.3
139.07495	2.4
142.07758	1.1
143.08562	3.7
145.06516	1.1
145.10101	2.6
147.08049	3.7
147.11684	11.5
149.09613	5.0
151.07564	1.0
151.11188	9.0
153.01820	0.9
157.06506	0.8
157.10097	9.6
161.09612	15.1
163.03839	1.0
163.11147	3.7
165.09149	1.7
165.12727	2.1
171.08051	2.8
175.11168	10.4
179.10655	8.4
184.07364	4.2
189.09149	6.2
190.87666	0.8
193.12234	31.6
197.11624	0.9
207.10202	2.7
209.11659	1.1
211.13271	51.1
225.11205	9.0
227.12796	3.0
243.12195	1.9
267.15897	20.1
273.63824	0.9
281.13977	4.0
283.15341	8.5
285.16928	42.7
286.04599	1.2
287.05505	9.6
299.14862	58.9
301.07043	3.9
301.16422	2.3
383.11310	3.4
399.21246	1.1
420.18518	1.1
422.50430	1.1
445.25723	2.0
473.25302	3.3
477.28464	1.8
487.17261	1.4
491.26364	15.6
495.29318	1.5
509.27432	100.0
510.27731	2.5
515.16656	1.3
527.19208	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.4486
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05289	0.1
56.05026	0.8
57.07065	0.2
58.06627	0.5
59.07381	0.2
60.08158	6.6
67.05491	0.3
67.79710	0.1
70.06580	0.2
71.06993	0.2
71.07367	3.7
80.97417	0.2
81.07023	0.2
86.09696	32.7
86.54067	0.1
87.09989	0.2
93.07031	0.2
95.08588	0.2
98.20723	0.3
98.98451	2.7
104.10732	2.9
109.38216	0.2
124.99989	21.6
135.11719	0.2
143.01045	0.4
163.11133	0.2
184.07321	100.0
185.07646	0.8
227.12706	0.1
247.88251	0.2
388.65094	0.1
520.19769	0.1
649.23816	0.2
704.44910	9.8
705.45227	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.4484
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34131	0.2
56.05029	0.6
57.07081	0.2
58.06609	0.4
60.08160	6.0
65.31333	0.2
67.05492	0.2
69.49305	0.8
69.49731	0.8
69.57741	0.2
71.07366	3.1
86.09698	30.7
98.98465	2.7
100.83375	0.2
104.10732	2.4
124.99991	20.8
143.00986	0.4
175.92841	0.2
184.07324	100.0
185.07652	0.5
226.83186	0.2
496.33792	0.4
508.67026	0.2
704.44849	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	705.4212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	5.0
55.01861	5.2
55.05270	1.9
55.05509	22.2
57.03431	8.0
57.07058	2.3
59.04998	1.3
61.02924	12.3
61.91633	1.2
65.03920	3.1
67.05499	39.9
69.03429	12.5
69.07063	12.5
70.72565	2.8
70.72905	1.5
71.04983	5.0
73.02917	6.5
79.05025	1.4
79.05486	31.5
81.03413	31.2
81.07051	33.3
83.04977	8.8
83.08617	13.8
85.02898	12.0
85.06522	2.4
86.09695	3.3
91.03931	5.8
91.05473	31.8
93.07042	27.7
95.04959	15.1
95.08600	19.0
97.02873	14.0
97.06509	5.7
97.10159	10.3
99.04459	2.6
99.08083	2.2
103.05456	2.0
105.07020	28.0
107.04943	5.4
107.08588	16.3
109.02840	4.1
109.06523	5.6
109.10150	14.3
111.04431	3.5
111.08099	4.2
115.05447	2.5
116.60584	1.4
117.07014	14.9
119.08569	21.1
121.06486	3.8
121.10132	12.9
123.04391	2.4
123.08046	3.8
123.11693	2.2
124.99988	3.5
125.09615	6.4
127.03878	4.0
127.75196	1.2
128.06218	2.9
129.05453	1.5
129.06999	11.7
131.08569	21.5
133.06508	3.6
133.10117	16.5
135.04370	2.4
135.08006	3.4
135.11681	6.0
137.02281	1.5
137.09608	2.0
141.06931	4.1
142.07718	1.2
143.08551	11.7
145.06448	4.2
145.09068	1.7
145.10121	18.4
147.08012	3.4
147.11673	10.9
149.09602	5.7
149.13208	2.4
151.11162	2.3
155.08524	7.7
157.06511	2.5
157.10124	13.3
159.08038	2.4
159.11702	12.3
159.43779	1.4
161.05882	1.6
161.09650	3.2
161.13208	7.0
161.71205	1.5
163.03853	4.4
163.11151	4.4
165.06963	1.7
167.08548	2.0
169.10144	6.8
171.08025	2.0
171.11644	10.8
173.04448	2.1
173.05948	1.7
173.09625	2.3
173.13257	7.3
175.11130	4.3
175.14804	2.5
181.10117	5.2
181.12196	1.8
183.08089	2.2
183.11681	5.7
184.07332	11.4
185.05917	1.7
185.09589	3.7
185.13222	4.6
187.11105	2.4
187.13226	2.2
187.14810	3.9
189.11140	2.6
191.10692	1.8
193.10316	1.2
193.12231	8.0
195.08034	2.4
195.11707	4.1
197.13182	4.4
199.11067	1.3
199.14815	3.0
203.14449	1.5
207.11653	2.5
209.13287	3.7
211.11465	2.0
211.13156	9.0
213.05539	1.4
213.12630	1.3
215.14420	1.5
221.13261	1.7
225.08934	1.6
227.10786	1.7
227.12784	4.8
229.14236	3.0
233.13190	1.5
237.09117	2.0
241.19496	3.3
257.18884	1.9
259.20605	8.5
267.15906	3.9
275.20111	2.0
283.20648	2.2
285.17075	1.4
287.05652	1.7
299.23627	2.6
301.21552	1.8
315.19547	1.7
315.23007	2.3
325.21658	2.1
329.21011	2.9
331.22687	1.6
333.24295	4.4
339.23193	1.5
355.15332	2.2
357.24176	2.3
367.22610	2.3
385.23526	1.8
415.29279	1.8
429.19580	2.4
433.30826	5.1
435.27332	2.7
451.31805	5.8
459.27692	2.7
469.33380	3.1
525.35791	18.0
541.34454	2.8
543.36768	100.0
544.36926	3.7
567.35681	1.8
585.36658	3.9
596.84552	1.5
613.35266	4.7
631.36078	4.3
633.37531	2.8
651.38940	4.9
669.38800	4.9
677.40668	7.8
687.39935	13.3
705.40765	38.6
706.41003	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	702.4696
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05040	0.7
57.07059	0.2
58.06615	0.5
59.07379	0.2
60.08160	7.0
67.05494	0.2
70.06567	0.1
70.76370	0.2
70.76725	0.3
71.06988	0.2
71.07370	3.5
79.05472	0.2
81.07047	0.2
83.90176	0.1
86.09701	33.3
87.10018	0.4
91.05474	0.2
95.04967	0.3
98.98460	3.3
104.10733	2.9
108.84754	0.1
124.99994	22.1
143.01068	0.3
166.02722	0.1
172.07452	0.1
184.07329	100.0
185.07648	1.0
224.47995	0.2
278.21640	0.1
477.84500	0.1
496.33646	0.3
590.47754	0.2
664.07794	0.1
702.46997	6.1
702.59314	0.3
703.47565	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.4047
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88801	1.5
53.03937	6.0
55.01872	4.2
55.05510	23.1
57.03439	4.6
57.07049	2.1
58.69438	1.8
59.04975	2.0
59.64796	1.7
60.21317	1.6
61.02941	8.9
61.88532	1.5
65.03226	1.7
65.03937	2.4
67.05140	2.0
67.05505	34.5
69.03425	14.0
69.07066	13.0
70.06573	2.2
71.04981	4.5
71.51418	2.2
73.02906	5.3
79.05491	23.7
81.03421	24.4
81.07056	26.4
82.07368	1.7
83.04993	9.5
83.08614	12.2
83.72855	1.6
85.02902	7.7
85.78542	1.6
86.09706	2.7
91.03943	4.9
91.05482	24.2
93.07044	22.5
95.04970	9.2
95.08623	12.6
97.02886	14.5
97.06529	6.0
97.10162	14.7
99.04462	3.3
105.07032	19.0
107.04927	2.8
107.08590	15.8
109.02879	5.8
109.06536	3.7
109.10157	8.8
111.04454	4.0
111.08092	2.2
112.80251	1.9
115.05447	3.0
117.07028	11.6
119.08561	12.4
121.06494	2.5
121.10165	8.6
123.04382	1.9
123.08047	2.4
125.09630	11.3
127.03920	3.6
129.07037	10.5
131.08577	14.8
133.06438	2.9
133.10135	11.1
135.08049	4.9
135.11743	3.9
141.06987	5.9
142.07770	2.1
143.08577	13.1
145.06528	4.2
145.10170	10.8
147.08084	2.3
147.11703	4.2
149.02367	4.2
149.09660	2.4
153.06979	1.9
153.12733	2.0
155.08533	8.2
156.09312	2.2
157.10165	12.5
159.08064	2.5
159.11729	8.8
161.13266	2.1
163.11125	2.8
167.08562	4.2
169.10176	10.9
171.08069	3.7
171.11674	8.6
173.04417	8.5
173.09598	2.5
173.13287	3.8
179.08510	2.4
180.09312	2.2
181.10101	5.4
181.12387	2.0
183.11691	5.7
184.07346	7.7
185.09656	3.2
185.13255	7.1
187.14796	2.0
189.11244	5.9
191.10767	2.8
193.10233	3.2
193.12022	2.4
195.11667	8.1
197.09621	3.0
197.13257	4.9
199.14844	3.3
207.11749	2.8
209.13289	4.9
211.11340	2.0
211.14981	3.0
213.12856	1.8
221.13261	3.0
223.14793	2.4
227.12747	7.4
241.19588	2.2
267.87549	2.3
273.18402	1.9
297.22125	7.8
315.22955	2.6
329.18747	2.0
431.29477	4.9
449.30478	6.0
467.31393	5.8
485.32602	3.2
513.35510	1.9
523.33936	12.3
541.35248	100.0
542.35486	7.6
559.36298	5.4
583.35907	3.4
649.37329	3.3
667.38660	4.1
685.39374	7.4
703.40063	30.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.9
57.03417	0.4
57.06804	0.4
57.07073	6.9
58.06607	2.6
58.63308	0.3
60.04519	0.3
65.03939	4.5
66.28388	0.4
67.05498	0.7
68.05011	0.5
69.03411	1.0
69.07027	0.6
70.06591	19.7
71.01340	0.4
71.08633	2.6
72.08134	1.3
74.06033	0.4
74.09692	0.3
77.64076	0.3
79.01849	0.5
79.05498	0.4
81.07052	0.6
84.08125	1.0
85.10185	0.7
86.09698	1.7
88.07627	20.3
91.05453	0.7
93.03382	0.4
93.07014	0.8
95.04933	0.5
98.21633	0.7
102.09180	13.9
105.03405	0.6
105.06982	0.6
121.02843	1.7
132.10202	2.0
133.02859	0.3
139.03914	1.9
145.10017	0.4
146.11778	2.7
147.04398	0.9
149.02344	60.8
149.03439	5.4
150.02702	1.1
175.03854	1.7
177.05516	0.6
184.07349	0.5
193.04955	33.8
194.05281	0.6
202.15948	0.6
212.23758	0.9
219.06464	1.7
225.05498	1.0
230.03925	0.4
230.27603	0.3
237.07590	4.2
248.80843	0.4
256.26346	50.5
257.26682	1.2
263.09143	0.9
269.04456	1.0
281.10248	0.4
297.04092	1.0
300.13763	0.4
300.28952	9.3
313.06897	1.6
341.06537	5.1
359.07578	3.2
382.71829	0.3
385.09183	10.5
387.10651	0.7
403.10229	12.3
429.11810	22.5
430.11862	0.4
473.14429	14.2
540.09644	0.4
561.37830	0.5
640.34869	1.3
684.37073	1.5
702.38416	100.0
703.38953	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	701.203
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.8
54.03462	2.0
55.01863	1.1
57.03431	1.5
61.02916	2.1
67.05492	0.7
69.03428	6.6
69.04540	1.3
70.06573	0.8
70.15954	0.5
70.88914	1.3
71.04992	1.1
73.02905	0.8
75.02869	0.6
79.05484	1.0
81.03452	3.9
81.04536	30.9
81.07014	0.6
85.02894	11.6
87.04445	0.9
93.04533	1.1
95.04991	1.6
95.06040	0.6
97.02898	5.1
99.04458	0.9
99.05581	0.7
103.05456	0.7
105.04488	3.2
106.06570	0.6
107.04948	2.2
107.06084	1.5
109.03998	100.0
111.05549	0.8
113.03497	1.9
118.28852	0.5
119.06068	2.8
121.04001	0.9
121.06493	0.9
125.02390	0.6
127.03919	2.4
127.04936	0.7
129.07033	0.9
131.04904	0.7
131.06058	0.7
133.03970	0.7
133.06555	0.6
133.07640	1.2
135.04398	3.4
135.05423	1.1
137.05951	1.9
139.03909	1.3
143.08640	0.6
145.04936	0.9
145.06538	0.9
145.07535	0.9
146.04813	0.7
147.04471	0.9
147.05557	2.3
149.05969	1.3
149.07095	1.3
151.03897	2.3
153.05484	0.7
155.04588	1.9
157.07652	1.2
159.05536	1.5
159.09157	1.4
161.03459	3.5
161.07109	2.2
163.05107	0.9
165.05449	3.9
167.07050	3.0
168.08035	1.2
169.07666	0.9
171.05534	2.1
171.09224	2.1
173.07123	2.3
175.05025	5.1
177.06747	0.9
179.04530	1.7
181.06248	1.0
183.09215	1.4
185.07178	3.6
187.05055	2.1
187.08716	1.8
189.06561	4.6
191.04504	3.1
195.09181	1.7
197.07048	0.9
199.05078	2.6
199.08669	1.6
200.05740	0.7
201.06631	3.4
201.10397	0.9
203.04510	1.3
203.08209	1.0
205.02467	5.0
205.06071	1.0
211.08638	4.1
213.06592	3.8
213.10307	1.6
214.07358	1.4
215.04518	1.5
215.08226	1.8
216.05304	0.9
216.09091	1.4
217.06148	1.7
219.04120	1.5
223.03520	2.1
223.08672	2.4
224.09286	0.9
225.06641	1.1
225.10291	1.6
227.04567	2.1
227.08229	0.9
229.06171	3.9
229.09689	0.9
231.04060	1.5
231.07742	1.1
233.05492	1.1
235.08810	1.0
237.06581	1.3
237.10286	0.9
239.04485	1.6
239.08128	3.4
241.06122	1.9
241.09688	2.3
243.07532	0.7
245.09196	0.8
247.07251	0.8
251.08281	3.7
253.09718	1.7
255.04099	2.2
255.07710	1.8
257.05569	1.3
257.09271	1.0
259.07312	0.7
263.08084	1.1
265.09732	0.8
267.07675	0.8
269.05762	0.8
269.09164	0.9
279.07721	1.3
281.09296	1.9
287.06711	1.3
293.07495	0.8
297.08704	1.4
305.03964	5.5
307.07211	1.5
309.08542	1.2
319.05734	1.6
321.08563	0.8
323.05048	0.8
325.12170	0.8
339.09622	1.2
355.09186	1.7
371.12521	0.9
375.08200	1.1
389.13205	0.7
391.07785	0.8
397.10693	1.0
399.12054	1.5
401.05786	1.1
415.11343	0.9
417.12885	1.3
419.07144	13.5
425.09723	1.2
427.11316	1.5
431.14410	1.1
443.10907	2.4
445.12436	4.2
449.15552	1.9
451.09772	6.6
461.11945	2.2
469.11026	2.0
471.10370	1.8
477.14935	5.8
489.11356	33.3
493.13730	0.8
503.12982	2.8
507.12430	8.3
521.14001	59.0
522.14606	1.0
539.15070	22.1
639.20123	1.7
683.19189	20.6
701.20245	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
60.29091	0.2
67.05477	0.2
70.34705	0.9
78.93973	0.2
97.80477	0.2
101.40363	0.2
102.28452	0.2
107.08523	0.3
117.85046	0.2
122.14770	0.2
123.08058	0.2
124.99996	0.3
125.35509	0.3
133.98016	0.2
134.17375	0.2
185.04224	0.8
259.07916	0.3
301.20120	0.5
347.09338	1.1
364.07919	0.3
446.41949	0.2
537.30292	18.5
538.30865	0.4
627.09882	0.3
667.25934	0.2
699.35516	100.0
700.35797	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.1
58.34302	0.1
67.01865	4.0
67.02201	0.1
68.99461	0.1
68.99789	1.3
69.03391	0.2
70.92310	0.1
70.94989	0.2
81.03404	0.2
82.76630	0.1
82.88364	0.1
85.02881	0.4
96.01303	0.1
97.02850	0.3
98.39466	0.1
102.04647	0.1
107.01237	0.1
109.02841	0.1
110.13837	0.1
111.00788	0.4
123.00782	0.1
124.01507	0.1
125.02332	0.1
127.03883	0.1
128.06204	0.2
128.30821	0.1
129.01834	0.1
129.07031	0.1
133.02876	0.1
133.48769	0.1
137.05931	0.2
143.03404	0.1
152.06207	0.1
153.01823	11.2
154.02097	0.1
166.04128	0.1
168.05600	0.1
171.02901	1.3
186.03146	0.1
197.05872	0.1
213.05434	0.3
223.07484	0.1
226.06317	0.1
229.04941	0.5
235.07596	0.5
237.05481	0.3
241.04997	0.6
242.05716	3.7
247.07495	0.1
253.04932	0.7
254.05675	0.8
255.06607	0.2
257.04437	0.6
258.05255	1.6
261.05316	0.2
269.04568	0.4
270.05234	0.8
271.06012	0.2
279.06412	0.1
285.03961	0.7
286.01505	0.2
286.04694	3.0
287.04944	0.2
303.06424	0.5
305.04480	0.4
333.07626	0.2
345.07712	0.2
361.07022	0.2
363.08417	0.2
387.08615	18.8
388.08948	0.9
389.06506	2.8
390.06848	0.2
399.08560	0.4
407.07303	0.1
413.06430	1.3
431.07608	1.9
441.09875	0.2
455.07684	0.3
471.10678	0.3
497.08597	2.7
498.09094	0.2
511.09381	0.2
515.09711	0.3
521.08173	0.1
539.09686	100.0
540.10040	6.3
551.09894	0.1
563.09515	0.3
579.24408	0.1
659.75305	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	699.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.1
55.01865	0.9
55.05496	1.3
57.03438	0.5
65.03928	1.0
67.05184	0.8
67.05507	10.8
69.03432	3.1
69.07066	0.7
70.06586	0.5
71.04985	1.9
71.51686	0.7
79.05489	1.6
81.03420	6.9
81.07059	6.5
83.04967	0.6
84.08134	0.4
85.02885	1.5
89.03925	4.9
91.05474	1.8
92.56123	0.4
93.07015	2.1
95.04948	1.8
95.08624	3.9
97.02898	4.6
99.04455	2.3
99.08070	0.6
103.05468	0.8
105.07027	0.9
106.01382	0.4
107.04964	3.2
107.08582	1.2
109.02889	7.3
109.06509	0.6
109.10157	28.1
110.10564	0.5
111.04411	0.9
117.03380	7.0
119.08573	1.6
119.46938	0.5
120.44484	0.5
121.06531	0.6
121.10154	1.0
125.06004	2.0
127.03931	7.1
129.13115	0.4
131.04955	1.2
135.04414	16.4
137.06007	5.0
137.09618	54.4
138.06322	0.7
138.09920	0.7
145.02838	11.5
145.06535	0.7
147.08023	0.6
149.06032	0.6
151.03889	0.7
151.07591	0.6
155.10661	5.5
157.65851	0.4
159.08133	0.6
161.05962	1.4
163.03905	100.0
164.04231	1.7
165.09117	42.8
165.22888	0.5
167.07047	1.1
175.07600	0.5
183.10182	4.6
187.07458	0.8
189.09119	0.7
201.11217	10.7
219.12253	0.7
263.12952	0.5
277.08682	0.9
291.12289	1.0
297.11060	0.5
309.13586	5.4
327.14664	6.0
335.13141	0.5
337.09204	1.1
339.12424	0.5
355.11661	0.6
359.14777	0.6
471.16513	0.6
477.96475	0.5
487.88461	0.5
489.17484	5.2
577.13049	0.6
699.25720	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17699	0.8
53.03945	1.6
55.01867	0.8
57.03435	5.9
57.21776	0.7
61.02907	1.7
65.03942	6.5
67.05499	1.5
69.03415	1.7
70.04288	3.9
70.06580	3.8
73.02916	12.2
77.03890	0.9
78.04699	3.2
79.05492	4.4
81.03391	1.0
82.04182	1.5
85.02904	1.4
89.03908	1.4
91.05473	9.4
93.03392	3.5
93.07027	1.3
95.01331	1.5
95.04937	3.0
97.02891	1.7
97.06519	0.9
103.05457	5.5
103.08677	0.8
104.06170	0.9
105.03387	0.9
105.07037	8.1
106.04177	1.5
107.04954	11.9
110.03648	6.9
111.03824	0.9
111.04449	9.6
115.03902	1.6
115.05474	5.7
116.06202	0.8
117.07022	1.2
118.04156	1.9
119.04936	8.9
119.08568	2.2
121.06514	1.8
122.03661	1.9
123.04435	4.6
124.05195	3.3
125.05991	10.2
128.06233	4.0
129.07007	6.0
130.04092	1.6
130.06531	3.9
131.04924	8.1
132.05696	2.0
133.02847	4.8
133.06480	7.2
135.04378	1.5
136.05144	2.0
137.05966	22.0
137.09567	1.0
138.03076	1.2
141.06973	1.5
144.05701	1.6
145.06451	2.7
146.07124	0.9
147.04390	13.9
147.08028	3.2
148.05135	1.7
149.05942	2.5
151.03899	2.5
151.07571	5.1
152.04683	2.0
152.06166	0.9
153.05460	38.5
155.04858	1.5
156.05676	2.2
157.06494	1.1
159.04440	1.1
159.08040	6.7
160.05235	2.0
161.05978	14.0
161.09613	1.6
162.06651	1.2
163.03882	1.9
163.07526	3.2
164.03392	1.1
165.05528	1.8
165.06818	1.5
165.09119	1.1
167.07033	100.0
169.06436	2.1
169.07628	17.8
171.04480	1.3
171.08038	2.5
172.05206	1.4
173.05971	1.2
174.06847	1.1
175.07544	37.3
175.11841	2.2
176.04660	1.6
176.06055	1.0
177.05434	2.7
178.07715	1.3
179.07031	11.4
181.04932	1.7
184.05148	2.0
185.05957	2.3
186.06714	2.3
187.05867	1.7
187.07523	18.0
189.05527	4.3
189.07042	1.9
189.09134	2.9
190.07800	2.6
191.06998	15.2
191.08565	3.4
193.06964	1.2
193.08583	7.2
199.07535	17.4
201.09142	5.2
202.07744	5.8
203.06889	1.3
203.08582	5.3
204.09248	1.0
205.06461	2.6
205.10176	1.8
206.07196	3.5
207.06438	1.8
207.08208	1.7
207.10172	2.8
208.08754	1.4
215.06819	1.9
215.08562	3.2
216.07764	1.7
217.06458	1.2
218.07355	4.9
219.08034	10.7
220.08864	3.9
221.05963	2.5
221.09592	3.6
222.06717	1.1
229.06508	1.8
229.08575	3.5
230.07280	1.4
231.08000	7.5
232.08821	3.2
233.05998	2.8
233.09622	5.5
234.06700	4.2
234.10374	1.7
235.07504	6.6
235.11174	1.0
236.08311	3.6
237.09131	2.5
239.06876	0.9
243.08031	2.5
245.05873	2.1
246.06772	2.8
247.07503	7.7
248.08212	6.6
249.05368	1.2
249.09096	6.9
250.06186	1.4
250.09869	2.0
251.06966	2.5
251.10619	8.4
253.08638	1.6
257.06042	0.9
258.06818	2.4
259.07526	4.1
260.08261	3.6
261.05463	3.6
261.09061	7.7
262.06097	1.6
262.09866	3.7
263.07034	4.6
263.10660	3.5
264.07785	6.3
264.10571	1.2
265.08490	12.6
266.09250	1.9
267.10147	1.2
267.29025	0.8
273.05609	1.2
273.08951	2.0
274.06158	2.5
275.06918	4.7
275.10107	1.1
276.07791	13.0
277.08615	8.4
278.09351	4.8
279.06818	1.4
279.10095	7.3
280.10809	1.3
281.08136	2.2
281.11795	2.8
287.05594	0.9
288.07782	2.2
289.08575	9.2
290.09296	4.2
291.06796	1.8
291.10004	8.9
292.07278	3.0
292.10764	1.3
293.08093	6.5
293.11685	3.2
294.08786	3.2
295.09601	2.4
296.10327	1.2
297.11252	1.0
299.15134	1.4
303.10104	1.0
304.07236	4.8
305.08008	3.3
305.11426	1.4
306.08844	3.4
307.09622	19.4
308.10291	6.7
309.07507	1.2
309.11151	7.2
310.11780	1.4
311.12766	7.5
313.14377	1.2
318.08548	0.9
319.06146	1.6
319.09622	17.8
319.12979	0.8
320.10397	5.6
321.07657	1.2
321.11191	12.2
322.11990	1.9
323.09137	1.6
323.12704	8.6
324.09760	0.9
325.14291	2.0
333.11090	0.9
335.13928	5.7
336.09903	1.8
336.13647	1.7
337.10623	3.7
337.14346	1.7
338.11469	2.2
339.12268	71.8
340.12665	2.7
341.13852	9.7
351.12231	61.4
352.12796	3.1
353.13925	9.3
355.15247	1.9
363.13275	1.8
369.13287	8.2
371.18408	1.0
467.20425	3.5
499.17566	2.0
501.18661	2.1
699.29663	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	698.4232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.2
55.05512	14.8
57.03433	3.3
57.07075	29.2
59.04999	3.3
67.05502	65.3
67.97601	1.1
69.07065	10.4
71.04984	3.4
71.08630	21.8
71.52430	2.4
79.05497	6.9
81.03424	2.4
81.07050	22.8
83.08618	15.3
85.06551	2.3
85.10184	12.8
86.09686	1.3
91.05486	7.4
93.07055	6.9
95.04906	1.8
95.08599	23.6
97.02952	1.5
97.10155	7.6
107.08605	4.3
109.10153	52.7
110.09647	1.4
111.08098	1.6
111.11727	1.6
119.08582	5.5
121.10132	1.7
123.11744	3.5
125.09618	3.0
135.11707	2.4
137.13280	1.7
155.01001	1.9
155.10677	1.8
163.11191	1.9
173.11720	14.1
180.13783	1.7
184.07327	2.9
195.04169	1.3
198.14891	9.6
227.12878	2.8
227.20074	5.4
229.14348	6.0
239.23694	4.3
245.13876	1.6
270.70575	1.3
282.27948	3.7
287.05539	1.8
301.07111	2.6
301.16550	1.8
302.07336	2.1
313.27377	9.1
321.61151	1.3
463.27829	1.3
467.37332	100.0
468.37659	4.3
481.86276	1.4
539.39056	4.9
557.40497	59.0
590.37970	4.6
662.40234	7.3
698.42102	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01342	4.8
53.03938	7.7
55.01851	5.7
55.05489	13.1
55.51024	3.7
57.03426	6.2
67.05502	26.4
69.03424	7.0
69.07061	12.5
71.05015	4.2
71.51892	6.7
79.05488	36.4
80.05820	3.9
81.03410	21.5
81.07057	39.9
83.04969	4.9
83.08607	7.4
86.09667	4.2
91.05479	25.3
93.07055	28.5
95.04977	22.2
95.08602	13.9
97.02895	9.9
97.06503	6.7
103.05454	7.0
105.07049	22.2
107.04227	4.9
107.04950	100.0
107.08580	14.6
109.02881	38.4
109.06519	13.7
109.10156	6.5
115.05420	5.0
116.08980	4.0
117.06993	10.0
119.08575	16.5
121.06490	11.0
121.10137	13.0
123.04459	10.0
123.08083	6.7
123.11640	4.1
125.02328	8.1
125.27885	4.1
127.03899	12.4
129.07014	6.1
131.04909	5.9
131.08591	13.3
133.10127	13.9
135.07994	6.1
135.11664	7.6
139.03880	12.7
143.08527	8.0
145.06454	4.0
145.10095	15.0
147.11662	7.2
149.05963	14.2
149.09651	6.6
151.03879	17.0
153.05371	4.7
157.10123	5.1
159.11667	10.4
161.09595	5.3
161.13161	4.5
163.11180	8.5
165.04178	6.1
165.05482	75.5
167.07059	21.4
171.07993	4.4
171.11659	6.4
175.11244	3.9
177.05478	24.3
180.20317	3.6
181.12199	5.4
193.08659	4.3
195.06497	13.6
195.13750	3.5
209.08072	33.1
227.09050	26.6
257.18915	4.3
267.59879	3.7
273.18494	4.3
275.19995	36.2
277.59521	3.4
293.20990	9.1
337.21631	4.6
339.17938	5.1
383.22354	6.7
401.23315	14.1
419.24277	10.7
437.25443	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	696.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	2.5
65.03918	0.7
69.03425	0.7
70.06562	1.0
71.01338	0.8
71.49906	0.8
79.05459	0.9
81.03403	1.3
84.08139	0.5
85.02902	39.8
86.03239	0.5
86.09689	0.7
91.05480	5.7
94.06550	0.6
95.04972	0.9
97.02852	0.6
103.03954	1.0
105.06990	0.6
106.06492	0.9
107.04946	1.2
108.04459	0.6
109.02876	1.3
109.06521	0.8
113.02339	0.9
117.05785	2.6
118.06543	8.4
119.07290	0.5
120.08102	1.5
121.06476	0.7
123.04372	0.6
124.07555	1.0
131.03407	3.1
131.04935	0.9
132.08041	1.9
134.09630	5.7
136.07573	5.7
137.06003	3.0
146.06000	33.6
147.04443	0.6
147.06294	0.8
148.07559	2.5
151.03912	1.0
151.07507	0.9
162.05507	0.9
163.03902	1.5
163.07613	0.6
164.07077	4.2
165.05467	1.0
165.07863	4.5
167.06958	0.8
176.07150	0.8
177.05510	0.7
178.08626	100.0
179.09023	2.9
180.06587	2.7
180.10164	4.3
184.07471	0.6
190.10527	0.5
194.08162	1.7
196.09682	9.6
199.12198	0.5
204.10236	0.9
209.74384	0.5
214.08533	0.6
237.10112	0.5
238.10744	5.8
248.09094	0.6
250.10793	0.7
264.12198	0.7
266.09915	0.8
268.11871	1.4
271.06027	0.7
276.12207	1.3
278.10150	1.0
283.10406	1.6
290.10205	0.6
294.09796	1.5
295.10443	3.9
296.11374	0.7
308.11264	16.3
309.11954	3.7
310.09189	1.6
310.12894	5.5
313.11658	0.7
314.12402	0.6
322.12851	1.4
324.10736	1.4
326.12326	10.4
327.12341	0.6
340.13788	1.1
368.13339	10.8
373.14105	1.3
374.14313	2.5
380.13342	0.8
382.15021	1.6
398.14349	3.7
399.14420	0.5
406.14877	3.8
410.14563	0.7
428.15552	9.6
434.14532	0.6
452.15598	10.6
470.09735	0.8
470.16550	26.1
471.17029	1.8
488.17606	42.4
489.17819	2.7
540.20392	2.6
664.22107	1.5
696.24872	70.9
697.25409	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	696.4157
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.6
55.01875	2.4
55.05506	23.5
57.03452	8.9
57.07066	9.8
57.29836	2.0
61.02658	2.2
61.02929	31.0
65.03947	2.1
65.65616	1.6
67.05504	85.5
69.03413	5.5
69.06737	2.2
69.07066	27.4
71.04984	3.5
71.08620	7.4
71.51005	2.5
73.02908	11.7
79.05478	25.9
81.03418	4.3
81.07051	100.0
83.04979	4.9
83.08614	22.6
85.02905	34.9
85.06508	3.5
85.10187	3.0
87.08827	1.9
91.03421	2.7
91.03944	27.7
91.05469	19.8
93.06496	2.2
93.07042	29.9
95.04957	3.2
95.08601	80.2
97.02886	16.3
97.06522	7.8
97.10157	13.7
99.04443	2.3
99.08084	4.5
105.07025	12.5
107.04936	2.6
107.08578	21.5
109.02864	3.0
109.10154	50.4
111.08081	4.8
111.11685	3.9
119.08576	11.9
121.10142	22.4
123.11699	22.8
124.99993	2.7
125.05896	2.5
127.03921	11.2
131.08597	1.7
133.10152	18.9
135.11658	13.6
137.13237	8.4
141.12689	2.9
144.08073	3.8
145.04935	11.5
145.95584	1.9
147.11674	10.6
149.13280	11.1
151.14774	7.6
155.14273	3.8
161.13245	15.3
163.06026	19.0
163.14772	11.2
165.16325	7.0
175.14818	10.9
177.16281	3.6
179.17929	6.9
189.16354	6.3
196.65846	1.9
207.17357	2.7
232.09750	5.0
232.85576	1.8
245.20084	4.0
245.22638	70.0
246.22824	2.6
263.23697	97.0
281.24789	2.1
330.07263	6.3
337.27377	75.6
355.28363	12.6
362.09854	6.1
391.19083	2.3
499.32480	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	697.3404
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59163	0.3
53.03954	0.7
55.01873	0.7
55.05509	1.4
57.03434	2.0
57.88174	0.4
61.02922	4.0
65.03944	0.4
67.05502	3.2
69.03432	2.2
69.07060	1.0
70.06601	0.6
71.04994	0.5
71.50003	0.4
73.02907	2.6
79.05493	3.0
81.03416	5.4
81.07052	3.1
83.04988	1.4
83.08619	1.6
85.02901	6.6
86.09688	0.8
91.03950	2.4
91.05465	3.8
93.07047	1.7
95.04998	2.2
95.08603	1.2
97.02895	3.5
97.06520	0.7
99.04500	1.1
101.02391	1.4
103.05464	0.4
105.07043	2.3
105.77847	0.4
107.04971	1.3
107.08604	1.2
109.02892	1.3
109.06464	0.7
109.10152	1.3
111.04468	0.5
111.08075	0.6
119.08565	1.8
120.08130	0.6
121.06526	0.5
121.10159	1.4
123.08020	0.6
127.03939	1.4
129.07010	0.8
131.04967	0.6
131.08601	1.2
133.06448	0.6
133.10124	2.1
135.04370	0.4
137.05972	4.5
137.09631	2.0
139.03979	0.4
147.04422	0.4
147.11722	1.5
149.09731	0.6
149.13393	0.4
151.03955	0.6
151.07552	0.7
157.10155	1.1
161.06013	1.0
163.03931	0.6
163.07503	0.4
165.05539	0.7
165.09154	0.6
167.07083	1.0
175.07573	1.1
175.11223	0.9
181.05023	0.4
181.08653	0.5
184.07382	1.3
187.07611	0.8
191.07089	0.5
191.14320	0.5
193.12326	1.6
199.07700	0.5
203.05403	0.5
209.08177	0.5
211.13388	1.3
219.08159	0.5
221.06129	0.5
240.96973	0.4
243.08412	1.9
251.12543	1.8
265.08667	0.4
283.09744	0.5
285.17313	0.5
287.05597	0.6
297.11148	0.7
307.15225	0.5
321.11441	0.6
345.00934	0.4
427.20938	0.4
469.20517	12.1
469.27197	0.6
697.34039	100.0
698.34448	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	695.3248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.6
54.36955	0.3
55.01866	0.7
55.05500	1.0
57.03438	2.2
59.04993	0.4
61.02925	3.2
61.45151	0.4
67.05507	2.9
69.03434	2.8
69.07068	1.0
70.11486	1.5
71.01337	0.5
71.05005	0.8
73.02914	3.1
79.05504	3.3
81.03420	4.9
81.07063	3.0
83.01354	0.6
83.04992	1.4
83.08171	0.4
83.08598	1.6
85.02906	6.1
86.09708	0.9
91.03957	3.0
91.05495	3.8
93.07057	2.6
95.04976	1.5
95.08606	1.4
97.02886	4.3
97.06553	1.9
97.10125	0.4
99.04449	0.9
101.02403	1.3
103.05482	0.4
105.07043	2.3
107.04976	1.3
107.08585	1.3
109.02898	1.6
109.06518	1.0
109.10191	0.8
111.04455	0.4
115.05464	0.6
117.07039	0.4
119.08588	2.8
121.06522	0.6
121.10136	0.9
123.04482	0.4
123.08047	1.1
127.03877	1.8
129.07011	1.1
131.08559	1.0
133.10155	1.1
135.04478	0.4
135.08080	0.7
135.11717	0.6
137.06027	1.2
137.09660	0.4
145.10167	1.8
147.08090	0.6
147.11722	1.2
149.09668	0.4
157.10126	1.1
163.03853	0.4
163.11244	2.3
167.07016	0.5
175.11266	0.5
179.07010	0.3
184.07343	1.1
184.85388	0.3
185.04263	0.5
193.12279	1.3
211.13403	0.6
243.08327	2.5
249.11148	0.5
251.12743	0.4
268.16275	0.5
268.49203	0.3
287.05524	0.6
307.15320	0.6
433.20065	0.5
440.27115	0.4
451.21188	0.9
462.29254	0.9
467.18839	5.4
469.20462	7.3
695.32465	100.0
696.32813	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	695.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15938	0.2
55.01858	0.5
67.05478	0.4
69.07040	0.6
69.38583	1.7
82.39066	0.2
85.02854	0.3
91.10822	0.2
93.06986	0.2
95.04942	0.6
98.06046	0.2
108.04472	3.3
108.08103	0.3
122.06010	1.1
133.86494	0.2
136.07576	1.2
137.05981	0.5
138.05496	0.7
140.07085	1.5
146.06030	1.8
147.06805	0.3
148.07542	0.9
150.05470	0.7
150.06670	0.4
160.07626	0.3
161.32158	0.2
162.06628	0.6
163.03857	0.4
164.07014	0.7
166.04987	1.0
168.06555	4.5
174.05476	1.1
178.08607	0.5
196.07556	0.3
196.09741	0.5
196.11290	0.4
197.10669	0.4
199.08678	2.2
201.10275	0.3
204.06622	0.7
206.08112	1.8
210.09276	0.3
211.08647	5.1
211.12305	1.0
212.09328	1.4
213.10161	1.9
214.10825	0.3
216.32480	0.3
221.10681	1.1
222.09117	1.2
223.08661	1.1
223.12209	0.4
224.11018	2.0
225.10225	5.4
226.07364	0.8
226.10983	1.0
227.08118	1.6
227.11888	0.5
228.08736	0.3
237.10158	0.3
238.10957	0.6
239.08067	0.7
239.11772	8.2
240.08754	1.4
240.12459	0.6
241.09750	2.4
241.13300	1.0
242.10466	1.4
249.10190	1.1
250.08611	1.5
251.08066	1.7
251.11783	0.3
252.09004	1.8
253.09694	6.0
254.10460	1.1
255.11255	1.0
256.12091	0.5
257.12857	0.7
259.14203	0.3
267.08008	0.7
267.11258	11.6
268.09283	0.4
268.11972	0.6
269.09494	0.4
269.12830	1.9
270.13504	0.3
278.07993	0.6
280.08429	0.4
281.09207	0.6
283.10529	0.6
284.11502	0.7
285.09225	0.4
285.12320	1.7
287.13791	0.4
295.10751	6.4
297.12357	1.2
298.10565	0.5
299.10416	0.3
303.13174	0.4
305.14905	1.5
313.11798	41.1
314.12305	1.1
315.13336	0.9
323.10165	2.3
327.13297	0.3
341.11282	18.2
342.12076	3.0
355.12839	2.0
359.12329	3.1
372.12900	0.3
373.13913	100.0
374.14255	2.7
375.15472	0.5
447.26428	0.3
525.23517	0.2
627.24274	1.0
645.25433	1.9
659.27325	1.1
663.26489	1.1
677.27515	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.9
55.01862	1.0
55.05274	0.6
55.05509	8.8
57.03431	4.7
57.07064	3.2
59.04976	0.7
61.02922	22.9
65.03932	1.8
67.05500	50.7
69.03420	3.0
69.06731	0.9
69.07063	10.1
70.06401	1.8
70.06818	1.0
71.04961	2.1
71.08614	1.4
73.02905	9.1
75.04455	0.7
79.05487	32.7
81.03384	1.6
81.07047	56.0
83.04971	1.2
83.08601	5.8
85.02896	27.5
85.06527	2.3
87.41632	0.6
91.03947	23.3
91.05471	15.4
93.07034	41.9
95.04992	2.9
95.08598	42.3
97.02882	13.1
97.06505	2.1
97.10150	2.4
99.04446	2.1
99.08071	1.9
105.07023	14.0
107.08583	31.6
109.06507	1.7
109.10149	28.7
111.08052	2.1
111.11705	1.1
113.09633	1.7
115.03907	1.2
117.05520	0.7
117.07014	6.7
119.08578	11.4
121.10132	27.6
123.08039	1.3
123.11690	14.2
125.09618	0.9
127.03899	9.0
131.08545	16.3
133.10110	13.1
135.11673	25.7
137.09566	1.7
137.13222	6.7
139.11172	1.3
145.04951	13.4
145.10095	13.1
145.11172	1.1
147.11671	11.4
149.13249	18.8
151.11147	2.0
151.14749	1.9
153.12794	1.3
159.11667	12.7
161.13231	8.8
163.05997	24.2
163.14801	15.2
165.12718	2.3
169.84259	0.6
173.13257	14.7
175.14793	2.6
177.12724	1.7
177.16347	4.7
179.14290	2.0
181.07097	0.8
187.14835	7.6
189.16356	1.1
191.14246	1.1
201.16452	3.1
205.15970	1.6
206.13808	0.6
215.17839	1.0
219.17355	1.1
233.18942	1.0
233.22687	2.9
243.21051	34.1
244.21475	1.4
261.22107	100.0
262.22446	4.0
263.23688	2.4
279.23199	2.5
283.18777	0.7
317.24933	0.9
335.25751	18.0
336.26273	0.8
353.26837	55.1
354.27179	2.8
497.31122	1.0
539.51660	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	0.1
65.03938	0.1
67.01856	0.4
67.05492	0.2
68.99447	0.1
68.99767	0.3
69.03410	0.1
69.07040	0.1
74.09715	0.1
79.05475	0.1
81.03400	0.2
81.07040	0.2
85.02878	0.1
86.09715	0.1
91.05478	0.3
93.07024	0.1
95.08578	0.2
97.02873	0.1
98.98472	0.1
105.07011	0.1
107.08558	0.1
109.02876	0.1
109.10136	0.1
112.61662	0.0
119.04929	1.7
119.08591	0.1
121.02853	0.6
121.10110	0.1
129.01822	0.1
131.04929	0.1
131.08548	0.1
133.10170	0.1
135.11652	0.1
145.02821	0.7
152.75629	0.1
153.01816	4.5
163.03902	0.5
163.11150	0.1
169.06509	0.1
171.02864	0.8
184.07303	0.2
187.03894	0.1
203.07048	0.2
211.03943	0.1
220.47684	0.0
225.05426	0.4
229.04919	0.3
243.06465	0.3
247.05989	0.1
271.05984	100.0
272.06305	1.3
305.90738	0.1
693.32800	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3091
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.2
55.05515	2.9
57.03440	2.0
61.02926	4.2
61.32080	1.1
66.10953	0.9
67.05493	5.0
69.03442	4.8
69.07083	1.4
70.14369	3.5
70.14773	1.9
71.04980	1.5
73.02906	4.9
79.05485	4.6
81.03419	5.2
81.07043	5.1
83.04979	2.2
83.08627	2.8
85.02917	6.9
85.20164	0.9
85.51830	1.0
91.03957	1.8
91.05469	5.2
93.07062	4.4
95.04982	2.0
95.08626	2.2
97.02909	3.8
97.06551	4.6
98.21449	1.0
99.04437	1.4
101.02415	1.2
105.07049	2.1
107.04964	2.1
107.08626	2.9
108.29331	1.0
109.02902	1.1
109.06525	1.3
109.10215	2.1
110.02422	1.0
119.08582	2.1
121.06484	1.1
121.10152	2.8
123.08065	1.2
125.81089	0.9
127.03893	1.4
131.08562	1.6
133.10167	1.7
135.11751	1.5
145.10156	2.8
147.04422	1.6
149.09656	1.6
153.67880	0.9
161.61330	1.1
163.03976	2.3
163.11147	4.9
173.02382	1.2
243.08423	1.6
257.04517	1.1
259.09772	2.0
260.10138	2.0
287.05716	1.4
296.76163	0.9
332.05692	1.8
359.69940	1.0
364.08212	2.1
467.18915	12.1
477.28784	1.2
515.17877	1.9
693.31061	100.0
694.31256	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	693.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.2
55.01855	1.1
55.05515	1.8
60.87659	1.0
65.03931	1.4
66.38971	0.9
67.05500	3.5
69.03429	1.8
70.06596	2.7
70.76009	1.0
71.51717	1.7
72.08127	1.7
79.05511	2.0
80.05048	1.0
81.07034	3.2
82.06591	2.0
85.02914	1.9
85.06545	1.2
86.09724	2.0
91.05479	4.2
93.07029	1.5
94.06564	4.2
95.04961	3.7
95.07311	1.3
96.08115	3.0
97.02882	5.3
97.06515	1.9
100.11269	2.3
103.05470	1.2
107.04955	2.1
108.04480	1.8
108.08124	12.4
110.06033	1.4
110.09684	1.3
111.04405	1.2
117.05786	1.4
118.06544	3.8
119.07327	1.5
120.08100	4.2
122.06054	8.1
123.06825	1.4
124.07587	19.3
126.05515	1.6
131.04857	1.0
131.07330	1.4
132.08075	3.9
136.07578	73.9
137.05960	2.7
138.09145	3.1
144.08101	1.5
146.05962	3.8
146.09579	1.9
147.04427	8.6
148.04744	3.2
148.07590	2.6
150.05484	3.2
151.07599	2.2
152.07025	6.8
158.09645	2.5
159.09233	1.9
160.07578	18.7
162.05534	1.2
163.03928	1.5
164.07074	39.7
165.05484	2.2
165.22881	1.3
166.08702	1.3
167.07138	3.1
169.08842	1.3
170.08340	2.1
170.09641	1.5
172.03911	7.0
172.07565	1.3
173.10808	1.6
174.09174	2.4
177.05409	1.3
180.08038	1.5
181.08865	8.8
182.09665	3.9
183.09155	4.2
184.07437	1.3
184.09872	11.5
185.10689	1.2
186.09143	2.1
187.08687	7.5
188.07190	1.1
188.09470	3.5
190.05032	2.1
192.10048	1.3
196.11249	9.8
197.10666	6.3
198.09554	1.5
198.11464	8.3
199.08728	5.9
199.12314	20.5
200.10777	1.6
201.10251	3.4
203.11833	2.4
204.06558	11.3
209.08376	1.9
211.06964	1.4
211.08676	6.8
211.12260	2.2
212.09138	6.5
212.12743	1.4
213.10301	7.6
213.13829	10.2
214.08646	4.1
214.10602	1.0
215.08275	2.3
215.11728	2.2
217.09770	1.7
223.12311	2.8
224.10768	12.9
225.10204	10.5
226.10941	11.0
227.08215	6.4
227.11748	12.7
229.09714	3.4
231.11345	1.8
239.08194	2.9
239.11853	3.6
240.08905	2.6
240.12634	5.0
241.06041	1.7
241.09781	11.1
241.13359	25.4
243.11328	1.4
245.09155	2.5
245.12869	3.4
251.11781	4.3
253.09825	5.8
254.10489	3.7
255.07594	1.3
255.08574	1.9
255.11287	21.0
256.09305	1.5
256.11755	9.5
257.08963	2.0
257.12875	3.8
259.10794	31.0
259.14417	4.4
265.09634	1.7
267.11276	8.6
269.12860	65.9
271.10800	1.7
273.12231	5.1
283.10748	12.2
285.12354	12.0
286.13229	1.2
287.13901	100.0
288.14124	2.6
295.10855	5.0
297.12317	10.1
301.11795	24.6
305.14914	2.6
311.10175	7.1
313.11774	7.8
313.14923	1.1
315.13376	27.7
319.12885	36.6
320.13406	1.7
325.11758	2.5
329.11316	21.7
335.12622	1.8
337.14005	9.6
339.09686	2.3
341.11310	2.1
357.10806	16.1
357.14944	1.5
361.13879	18.9
373.13965	4.6
375.12030	2.0
380.12399	2.4
383.11536	1.9
384.11450	1.9
385.11612	3.0
389.13452	24.8
467.16711	1.7
473.45398	1.1
501.15564	1.4
599.23975	4.2
615.24603	2.9
625.22839	11.5
643.24048	27.0
644.24579	1.6
657.26050	6.7
661.24768	6.0
675.26630	8.7
693.26855	1.4
693.48688	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.4489
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.7
56.05022	0.3
57.07057	0.4
58.06602	0.3
60.08160	5.6
67.05485	0.9
69.03384	0.2
69.07041	0.5
71.07374	2.2
71.08620	0.3
71.51206	0.5
81.03413	0.6
81.07052	0.8
83.04961	0.5
83.08602	0.6
86.09702	27.8
91.05469	0.6
93.07034	0.5
95.08614	0.4
97.10135	0.3
98.97866	0.3
98.98459	2.7
103.70866	0.2
104.10739	2.1
105.07048	0.4
107.08578	0.4
119.08595	0.4
121.10148	0.3
124.99999	17.8
131.08578	0.2
133.10097	0.2
159.11732	0.2
184.07332	100.0
185.07646	0.7
209.11639	0.4
211.13197	0.3
288.06406	0.3
331.65128	0.2
397.56357	0.2
446.38873	0.3
496.33206	0.2
503.36746	0.3
520.36975	0.6
521.38464	1.3
692.44879	5.8
709.46954	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.2
55.01855	1.1
55.05515	1.8
60.87659	1.0
65.03931	1.4
66.38971	0.9
67.05500	3.5
69.03429	1.8
70.06596	2.7
70.76009	1.0
71.51717	1.7
72.08127	1.7
79.05511	2.0
80.05048	1.0
81.07034	3.2
82.06591	2.0
85.02914	1.9
85.06545	1.2
86.09724	2.0
91.05479	4.2
93.07029	1.5
94.06564	4.2
95.04961	3.7
95.07311	1.3
96.08115	3.0
97.02882	5.3
97.06515	1.9
100.11269	2.3
103.05470	1.2
107.04955	2.1
108.04480	1.8
108.08124	12.4
110.06033	1.4
110.09684	1.3
111.04405	1.2
117.05786	1.4
118.06544	3.8
119.07327	1.5
120.08100	4.2
122.06054	8.1
123.06825	1.4
124.07587	19.3
126.05515	1.6
131.04857	1.0
131.07330	1.4
132.08075	3.9
136.07578	73.9
137.05960	2.7
138.09145	3.1
144.08101	1.5
146.05962	3.8
146.09579	1.9
147.04427	8.6
148.04744	3.2
148.07590	2.6
150.05484	3.2
151.07599	2.2
152.07025	6.8
158.09645	2.5
159.09233	1.9
160.07578	18.7
162.05534	1.2
163.03928	1.5
164.07074	39.7
165.05484	2.2
165.22881	1.3
166.08702	1.3
167.07138	3.1
169.08842	1.3
170.08340	2.1
170.09641	1.5
172.03911	7.0
172.07565	1.3
173.10808	1.6
174.09174	2.4
177.05409	1.3
180.08038	1.5
181.08865	8.8
182.09665	3.9
183.09155	4.2
184.07437	1.3
184.09872	11.5
185.10689	1.2
186.09143	2.1
187.08687	7.5
188.07190	1.1
188.09470	3.5
190.05032	2.1
192.10048	1.3
196.11249	9.8
197.10666	6.3
198.09554	1.5
198.11464	8.3
199.08728	5.9
199.12314	20.5
200.10777	1.6
201.10251	3.4
203.11833	2.4
204.06558	11.3
209.08376	1.9
211.06964	1.4
211.08676	6.8
211.12260	2.2
212.09138	6.5
212.12743	1.4
213.10301	7.6
213.13829	10.2
214.08646	4.1
214.10602	1.0
215.08275	2.3
215.11728	2.2
217.09770	1.7
223.12311	2.8
224.10768	12.9
225.10204	10.5
226.10941	11.0
227.08215	6.4
227.11748	12.7
229.09714	3.4
231.11345	1.8
239.08194	2.9
239.11853	3.6
240.08905	2.6
240.12634	5.0
241.06041	1.7
241.09781	11.1
241.13359	25.4
243.11328	1.4
245.09155	2.5
245.12869	3.4
251.11781	4.3
253.09825	5.8
254.10489	3.7
255.07594	1.3
255.08574	1.9
255.11287	21.0
256.09305	1.5
256.11755	9.5
257.08963	2.0
257.12875	3.8
259.10794	31.0
259.14417	4.4
265.09634	1.7
267.11276	8.6
269.12860	65.9
271.10800	1.7
273.12231	5.1
283.10748	12.2
285.12354	12.0
286.13229	1.2
287.13901	100.0
288.14124	2.6
295.10855	5.0
297.12317	10.1
301.11795	24.6
305.14914	2.6
311.10175	7.1
313.11774	7.8
313.14923	1.1
315.13376	27.7
319.12885	36.6
320.13406	1.7
325.11758	2.5
329.11316	21.7
335.12622	1.8
337.14005	9.6
339.09686	2.3
341.11310	2.1
357.10806	16.1
357.14944	1.5
361.13879	18.9
373.13965	4.6
375.12030	2.0
380.12399	2.4
383.11536	1.9
384.11450	1.9
385.11612	3.0
389.13452	24.8
467.16711	1.7
473.45398	1.1
501.15564	1.4
599.23975	4.2
615.24603	2.9
625.22839	11.5
643.24048	27.0
644.24579	1.6
657.26050	6.7
661.24768	6.0
675.26630	8.7
693.26855	1.4
693.48688	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3851
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67783	0.9
51.51072	0.9
53.03951	3.1
55.05510	15.9
57.02582	0.9
57.03157	1.0
57.03439	13.6
58.06609	1.0
59.05009	1.0
60.08161	3.0
61.02926	2.0
65.03926	1.1
67.05506	23.7
69.03432	5.2
69.07063	7.0
70.06607	1.4
71.04996	5.6
71.07373	1.8
71.51019	1.4
77.03928	0.9
79.05494	25.3
81.03417	76.0
81.06592	1.8
81.07056	29.6
83.04984	19.2
83.08617	26.4
85.02908	31.6
85.06539	2.5
86.09228	1.6
86.09708	20.7
86.62267	0.9
87.04466	1.0
91.03940	1.5
91.05481	34.9
93.07039	17.1
95.04968	30.9
95.08603	9.8
97.02901	5.9
97.06532	7.6
97.10197	5.0
98.98483	2.5
99.08091	1.5
103.05498	1.0
104.10728	1.2
105.07029	23.8
106.07327	1.0
107.04961	7.6
107.08578	9.5
109.02851	1.1
109.06498	5.5
109.10146	4.0
111.04443	4.0
111.08090	11.2
113.05987	2.5
115.05448	1.2
117.07030	2.9
119.04898	1.7
119.08573	20.3
119.09369	1.4
121.06509	3.2
121.10130	9.2
121.92509	0.9
123.08054	4.5
123.11655	1.7
125.00021	13.5
125.09630	2.3
127.03876	1.6
127.07538	1.1
129.07010	12.6
131.08572	13.5
133.06494	2.9
133.10126	14.9
135.04393	1.4
135.08064	1.8
137.05977	1.4
137.09607	1.7
142.07768	2.7
145.06522	1.1
145.10124	2.5
147.04388	2.3
147.08046	2.5
147.11688	17.5
149.09645	6.8
151.11163	1.2
157.10132	16.9
161.05946	0.9
162.77072	0.9
163.03882	4.8
163.11244	1.7
165.05475	1.4
165.12770	5.0
167.07059	0.9
169.07610	15.2
170.07951	9.7
171.08293	1.9
175.03754	1.0
175.11195	19.2
180.96619	0.9
184.07346	88.8
185.07829	1.1
189.09225	1.1
189.11153	1.8
193.12245	55.5
194.12505	1.3
211.13292	78.9
212.13741	1.4
214.18080	1.1
215.07007	1.6
224.13704	1.1
247.19264	0.8
265.09662	2.8
266.10056	1.2
267.11411	0.9
267.15918	38.0
271.06058	5.0
272.06442	3.5
285.16965	74.7
286.17377	2.1
287.05518	1.3
335.13831	4.6
336.14240	6.8
337.14334	5.4
363.13406	2.7
364.13666	4.3
365.13995	3.8
367.22607	1.6
385.23666	4.3
403.24786	1.3
441.26450	1.2
459.27420	29.1
477.28467	35.4
478.28534	1.2
495.29523	100.0
496.29782	2.8
530.20123	1.4
639.33734	1.1
692.33984	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	692.3849
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.6
55.05507	17.7
57.03433	17.6
57.07068	0.7
59.05001	0.8
61.02925	4.0
65.03934	2.0
67.05501	29.2
69.03423	6.1
69.07064	8.6
69.38233	1.0
69.38638	1.9
71.01337	0.8
71.04983	5.3
73.02913	1.3
76.71953	0.3
77.03915	0.7
79.05491	32.4
81.03413	92.5
81.07051	34.9
81.07759	0.5
82.03736	1.0
83.04975	21.3
83.08614	31.1
85.02900	36.8
85.06550	2.5
86.03226	0.4
86.09712	0.7
87.04456	0.8
89.81808	0.3
91.03974	1.8
91.05476	40.9
93.07037	21.9
93.07628	0.8
95.04960	36.1
95.08603	12.4
97.02881	6.5
97.06527	5.5
97.10162	5.0
99.04455	0.8
99.08084	2.1
101.05988	0.8
103.05484	0.4
105.04578	0.6
105.07025	30.7
106.07333	0.6
107.04951	9.5
107.08586	9.5
109.06511	6.8
109.10157	4.0
111.04446	3.2
111.08073	14.8
112.15807	0.4
113.05987	3.5
115.05434	2.2
115.53838	0.4
117.07029	2.7
119.04936	0.7
119.08572	24.4
121.06496	2.4
121.10131	10.6
123.04460	0.6
123.08054	3.9
123.11703	2.3
125.06017	0.4
125.09627	2.8
127.03934	0.7
127.07542	1.0
128.06239	0.8
129.06029	0.8
129.06996	15.1
131.08560	15.4
132.08888	0.4
133.06476	4.7
133.10120	16.3
135.08025	0.4
135.11679	1.0
137.05937	0.4
137.09633	3.6
137.13287	0.5
141.06961	0.5
142.07756	3.5
145.06459	0.7
145.10132	2.6
147.04474	0.5
147.08041	5.1
147.09106	0.6
147.11674	21.7
149.09607	8.0
151.11209	0.8
155.08472	0.4
157.10118	20.4
158.10492	0.5
163.03886	0.7
163.11179	1.4
165.12730	4.9
175.11182	22.2
176.11505	0.5
184.07346	1.8
189.11282	0.6
193.12233	67.2
194.12515	0.6
211.13277	100.0
212.13647	1.8
229.14232	0.6
249.14867	1.2
257.04462	0.8
258.05109	0.5
259.05347	0.4
267.15894	38.9
268.16339	0.8
285.16943	88.5
286.17334	2.0
287.05396	2.4
288.05826	1.1
349.21585	1.0
367.22684	2.9
383.11163	3.2
384.11624	6.0
385.23834	3.6
403.24759	1.3
432.48096	0.4
433.25739	1.1
441.26398	1.3
459.27368	21.6
460.27588	0.8
477.28473	23.4
478.29230	0.5
495.29498	67.8
496.29907	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	690.3688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.8
55.01866	5.4
55.05270	1.6
55.05511	18.3
57.03432	13.7
57.07059	2.2
58.44038	1.2
59.04996	2.5
61.02914	4.1
65.03933	2.2
65.86502	0.9
67.05183	1.7
67.05505	23.5
68.85326	1.0
69.03430	5.1
69.07056	6.5
69.24245	12.2
71.04983	4.4
73.02901	2.7
79.05075	2.0
79.05493	25.6
81.03415	52.3
81.07057	29.5
82.90909	1.1
83.01323	7.1
83.04980	18.9
83.08619	24.1
85.02905	21.4
85.06541	1.2
91.05479	29.8
93.07040	27.6
95.04968	20.6
95.08610	13.9
97.02892	7.0
97.06511	6.8
97.10166	3.3
99.04459	3.1
105.07028	19.4
107.04936	9.9
107.08595	14.7
109.06521	8.2
109.10156	3.6
111.04430	3.3
111.08070	10.6
113.05956	1.1
117.07018	6.5
119.08569	16.4
119.84666	1.0
121.06493	2.9
121.10128	10.5
123.08059	7.6
123.11739	1.7
125.06001	1.5
125.09640	1.9
129.07028	8.6
130.27536	1.1
131.08560	10.4
133.06511	1.1
133.10117	9.8
135.08026	1.9
135.11694	8.6
137.09607	3.0
142.07703	2.8
145.10138	13.0
147.08034	2.8
147.11681	10.3
149.09669	5.6
153.12718	2.4
155.08527	1.9
157.10127	10.4
163.11177	16.5
164.11543	1.5
165.12810	2.3
173.09639	2.9
175.11182	11.3
181.12193	2.6
191.10710	2.0
193.12239	31.2
209.11732	4.0
211.13283	51.9
227.12743	2.5
267.15964	12.2
283.15390	51.2
284.15677	1.9
285.16953	37.3
286.17188	1.4
383.22134	3.2
405.77396	1.2
457.25894	3.5
475.26947	11.7
493.27945	100.0
494.28049	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	690.4699
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05528	0.2
56.05029	0.4
58.06603	0.4
60.08162	6.4
64.12872	0.2
67.05501	0.5
70.70629	0.4
71.07374	3.2
75.38638	0.2
77.42191	0.2
79.05490	0.3
79.51535	0.2
81.07064	0.4
81.97174	0.2
86.09700	32.3
91.05547	0.2
91.42547	0.2
95.08639	0.2
98.98464	2.5
100.67406	0.2
104.10734	2.6
112.60460	0.2
124.99995	20.4
143.01028	0.2
184.07330	100.0
268.23734	0.2
303.40244	0.2
398.77106	0.2
477.49228	0.2
519.36719	0.6
592.84528	0.2
690.23883	1.1
690.46899	6.0
691.24835	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77678	0.1
55.05503	0.1
67.01852	0.4
67.05483	0.2
68.99467	0.1
68.99805	0.3
69.03413	0.1
69.07071	0.1
70.64537	0.2
79.05473	0.2
81.03406	0.2
81.07037	0.3
81.83451	0.1
85.02914	0.1
86.09711	0.2
91.05476	0.6
93.07033	0.2
95.04974	0.1
95.08594	0.2
97.02874	0.1
105.07016	0.2
107.08585	0.1
109.02850	0.1
117.07032	0.1
119.04120	0.1
119.04938	1.6
119.08596	0.1
121.02859	0.7
121.10159	0.1
122.74670	0.1
124.99983	0.1
125.02345	0.1
129.01807	0.1
129.07039	0.1
131.08543	0.1
133.10139	0.1
145.02821	0.8
145.10045	0.1
147.11613	0.1
153.01817	4.2
154.02144	0.1
163.03891	0.5
165.01851	0.1
165.25067	0.1
171.02875	1.0
171.11681	0.1
173.13293	0.1
184.07333	0.4
187.03848	0.1
197.06015	0.1
203.06999	0.2
225.05373	0.4
229.05003	0.3
243.06532	0.3
247.05957	0.2
253.04964	0.1
259.20609	0.1
271.05988	100.0
272.06329	1.9
283.05978	0.6
301.21484	0.1
309.07565	0.1
351.12186	0.1
529.26044	0.1
533.18298	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	690.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.6
55.01858	1.2
55.05517	2.8
57.03423	1.6
59.05000	0.4
59.14705	0.4
61.02905	0.7
65.03935	0.6
67.05506	4.0
69.03429	0.8
69.07052	1.9
69.64008	0.9
69.64410	1.9
70.06581	0.7
71.04975	1.1
71.08603	0.4
79.05498	4.5
81.03419	7.1
81.07048	4.9
83.01347	0.4
83.04971	2.9
83.08621	3.3
85.02898	3.0
86.09688	0.8
90.38207	0.4
91.05479	5.4
93.03364	0.4
93.06487	0.5
93.07040	6.9
95.04969	4.2
95.08617	3.3
96.08103	0.5
97.02886	2.7
97.06542	2.0
97.10158	0.5
97.32133	0.4
98.21429	0.6
99.04482	0.7
99.08076	0.5
103.05474	0.9
105.07027	2.8
107.04953	2.0
107.08585	2.9
109.02854	0.5
109.06496	1.0
109.10130	0.6
111.04434	0.7
111.08060	1.3
115.05427	0.4
116.10743	1.0
117.06977	1.1
119.08569	3.3
119.13264	0.4
121.06479	4.2
121.10167	2.0
122.06008	0.4
123.08053	1.0
125.05959	0.6
129.06961	1.0
130.06512	0.8
131.08559	1.2
133.10124	1.7
135.07974	0.5
135.11674	4.3
137.09674	0.5
142.06487	0.9
143.07318	1.6
144.08000	0.9
145.10110	2.3
147.11662	1.5
149.05910	0.9
149.09622	0.9
153.01772	0.4
156.04726	0.4
156.08086	0.5
157.10112	1.5
161.05966	0.4
163.03900	1.1
163.11171	5.5
165.12773	0.7
167.07170	0.4
168.08043	1.6
169.07605	100.0
170.07954	1.3
175.11205	1.3
180.07967	0.4
181.12196	1.3
182.08377	2.3
183.09171	1.0
184.07413	2.5
184.11319	0.5
193.12228	4.8
195.09134	1.1
207.09303	0.5
211.13266	7.7
214.05807	0.4
214.18030	3.2
219.09174	1.0
220.07574	1.0
221.10625	0.5
227.12776	5.5
235.08632	1.7
236.09366	0.4
237.10187	2.1
247.08705	2.0
247.12303	0.6
248.07181	1.8
249.10411	0.5
250.07593	0.6
259.09634	0.6
261.13986	0.5
263.08096	2.7
265.09714	21.7
266.10123	0.9
267.15933	3.3
271.06030	1.0
281.09119	0.6
283.15402	12.8
285.16965	8.5
287.05310	1.0
288.05890	0.7
289.13260	1.2
298.38031	0.4
302.04214	0.8
303.04398	0.4
307.14441	1.5
315.05112	0.6
317.06430	0.6
317.12808	1.9
318.06732	0.5
327.04907	0.4
335.13885	65.1
336.14273	1.7
344.24335	0.4
363.13382	48.6
364.13641	1.4
396.49005	0.4
442.31467	0.6
457.25955	0.6
466.16025	0.5
471.35019	0.5
475.26999	4.6
493.27982	21.7
497.19315	1.7
509.17917	0.9
510.18344	2.9
525.18781	3.9
527.19122	1.7
528.19452	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	689.4253
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79793	2.4
53.03934	12.2
55.01878	7.6
55.05507	22.4
57.03431	11.1
65.03578	2.8
65.03913	4.4
67.05504	69.1
68.99094	2.3
69.03427	32.8
69.07071	22.3
71.04977	9.8
72.45402	2.7
74.03438	2.6
75.84257	2.5
79.05490	62.9
81.03421	100.0
81.07053	71.1
83.04990	14.9
83.08617	18.6
85.02902	16.5
86.09702	15.4
91.03955	3.1
91.05474	55.4
93.07040	65.5
95.04967	29.5
95.08607	42.1
97.02893	16.7
97.06527	10.0
97.10161	11.3
98.21375	14.9
99.04477	7.9
105.07022	42.3
107.04957	11.7
107.08591	28.4
109.02874	13.7
109.06531	7.4
109.10154	13.0
111.04436	10.8
111.08067	8.5
117.06991	13.2
117.15480	2.5
119.08579	29.8
121.06523	3.9
121.10134	25.5
123.08080	2.8
123.11717	6.8
124.99216	2.6
124.99961	14.8
127.03907	10.6
129.05478	2.8
129.07031	16.0
131.08578	24.3
133.06490	4.4
133.10124	23.5
133.66681	2.7
135.08076	4.8
135.11688	10.5
143.08556	8.7
145.06503	3.2
145.10143	19.1
147.08064	7.1
147.11671	23.6
149.09612	8.1
149.13234	3.4
155.08549	4.5
157.10109	17.0
159.08046	3.6
159.11688	11.3
161.13307	6.8
163.11130	5.6
165.12849	4.2
169.10112	3.6
171.07936	3.6
171.11684	2.8
173.04491	5.0
173.09604	4.4
173.13217	7.0
175.11156	15.3
175.14783	2.8
181.12148	3.0
184.07330	50.9
185.07681	7.3
185.13260	5.0
187.10982	2.8
187.14885	2.8
187.40833	2.5
191.10635	2.9
193.12222	42.8
195.13791	3.3
197.13203	3.4
199.14775	2.8
207.11865	2.8
209.13461	3.3
211.13281	52.0
211.15054	5.2
227.12694	4.6
229.37372	4.2
249.14888	4.4
252.06175	2.8
259.35461	2.8
261.22128	5.9
267.15927	9.0
285.17056	7.6
327.23444	2.9
335.25797	13.9
351.23059	4.4
355.17474	5.9
369.24188	10.1
387.25137	4.6
405.26569	3.3
411.19958	9.6
443.27979	3.2
461.28894	6.0
527.37238	14.2
545.38257	7.3
653.40540	5.8
671.40527	6.3
689.42584	71.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.4255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	13.8
54.31615	4.2
55.01858	9.4
55.05512	31.3
57.03426	16.6
57.07046	9.0
65.03931	7.6
67.05508	86.9
69.03433	35.6
69.07067	24.6
69.25877	37.5
69.26286	11.8
71.04987	11.3
79.05486	58.7
81.03418	100.0
81.07053	70.3
83.04956	14.1
83.08609	19.8
85.02901	21.2
86.09707	9.0
87.04471	29.4
91.05480	58.6
93.06500	5.5
93.07046	68.1
95.04461	4.3
95.04983	35.2
95.08608	40.6
97.02888	16.3
97.06535	8.0
97.10149	10.7
98.21432	15.0
99.04465	7.8
105.07021	46.8
107.04951	11.9
107.08582	25.6
109.02853	15.8
109.06487	11.2
109.10152	19.6
111.04447	17.3
111.08090	7.8
117.07040	9.9
119.08579	41.0
121.10142	27.3
123.11743	4.6
125.00014	5.7
125.09637	4.6
127.03908	8.0
129.06992	18.5
131.08606	28.9
133.06540	6.2
133.10149	22.9
135.07974	4.9
135.11681	17.2
142.07764	5.8
143.08562	10.3
145.10091	20.4
147.08000	5.4
147.11702	23.4
149.09561	9.2
149.13297	9.2
155.08563	10.0
157.10110	19.6
159.11720	13.9
163.07704	4.5
163.11192	5.7
165.12762	8.8
169.10078	8.4
171.11755	6.0
173.04451	6.7
173.13135	5.4
175.11169	11.8
181.10204	5.8
183.11658	4.7
184.07359	29.4
185.07649	6.2
185.09602	5.2
185.13191	6.4
193.12260	43.8
195.11737	6.2
209.13268	6.7
211.13266	46.4
267.15787	10.9
277.21671	5.0
285.16968	7.8
335.25806	13.6
355.17538	5.0
369.24133	6.8
373.10648	4.8
387.25076	8.0
405.26532	6.9
411.20013	8.6
420.53186	5.0
461.28897	4.4
527.37085	12.2
528.36987	5.1
545.37903	7.4
653.40234	12.5
671.40869	12.0
689.42554	72.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.4252
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	13.2
55.01868	7.4
55.05511	32.1
55.09060	2.4
55.85300	2.1
57.03425	14.2
65.03921	5.0
67.05506	79.7
68.26012	2.2
69.03436	28.3
69.07076	18.7
71.04986	11.4
71.52563	2.3
71.52941	2.9
73.02924	2.5
75.02640	2.4
75.03049	2.8
79.05030	2.6
79.05490	68.0
81.03418	100.0
81.07056	81.3
83.04983	14.9
83.08622	27.5
85.02904	14.9
85.06559	3.6
86.09698	6.1
87.04446	2.7
91.05482	60.3
93.07046	61.3
95.04966	34.7
95.08601	39.8
97.02906	19.6
97.06518	8.7
97.10158	7.7
99.04456	7.3
99.08097	3.1
105.07022	44.1
106.07375	2.7
107.04943	14.8
107.08598	32.3
109.02892	21.6
109.06492	7.3
109.10162	17.9
111.04425	11.2
111.08067	9.6
115.05463	5.4
117.07035	20.1
119.08595	36.7
121.06493	8.6
121.10143	24.3
123.04443	2.8
123.08107	3.7
123.11678	7.3
124.99969	3.0
125.09621	3.5
127.03902	12.1
128.06233	3.1
129.05408	2.8
129.06982	16.9
131.04942	3.3
131.08560	29.0
133.06468	7.3
133.10130	27.0
135.08057	5.0
135.11679	17.7
137.09596	4.7
141.06984	4.1
142.07819	4.4
143.08609	13.6
145.06493	5.6
145.10135	16.5
147.08060	9.5
147.11687	23.4
149.09604	6.6
149.13235	3.6
151.11023	3.3
155.08553	7.0
157.06480	2.6
157.10104	15.6
159.08046	6.2
159.11679	13.4
161.13223	6.4
163.11168	6.6
165.12744	7.8
169.10124	6.1
169.55518	2.2
171.08040	3.0
171.11685	11.3
173.04420	4.8
173.13252	8.1
175.11150	10.2
175.14761	2.5
177.12753	2.6
183.11658	6.2
184.07361	19.2
185.13254	4.2
187.11195	2.9
189.12689	4.3
191.10638	4.2
193.12238	36.0
199.14833	3.9
211.11343	4.9
211.13277	53.4
222.81096	2.4
227.12773	6.6
235.13283	6.0
243.20908	2.9
261.22125	8.0
267.15869	11.9
275.52597	3.2
277.14819	2.5
285.17023	9.1
285.22241	2.9
289.21530	4.0
301.14389	2.8
301.21637	3.1
309.17050	3.2
317.24896	3.0
335.25854	18.4
341.24847	2.8
351.23047	3.5
355.17624	5.9
369.24185	12.6
371.25131	2.8
375.17902	2.9
387.25079	3.9
411.20111	7.6
443.28119	5.0
461.28806	3.8
471.35416	3.1
527.37030	10.8
545.38141	5.5
569.38098	2.9
615.37946	2.7
653.40118	11.1
668.23840	2.7
671.41254	9.0
689.42505	60.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.4545
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05033	0.4
58.06362	0.2
58.06611	0.5
60.08162	5.7
67.05492	0.7
69.18528	0.9
69.18946	1.7
71.07372	3.0
73.18143	0.2
79.05491	0.3
81.07040	0.5
86.09705	31.5
89.06055	0.3
91.05505	0.3
93.07024	0.3
95.08597	0.3
98.20802	0.5
98.98463	2.4
104.10742	2.5
109.10185	0.5
123.98576	0.2
125.00002	19.7
129.88921	0.2
141.55684	0.2
166.02773	0.2
184.07338	100.0
185.07625	0.7
189.22932	0.2
206.21225	0.2
206.78958	0.2
229.14333	0.7
265.32019	0.2
295.61169	0.2
337.27393	0.3
496.34497	0.3
533.33313	0.3
546.28436	0.2
568.91125	0.3
688.45508	5.9
689.45599	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.4545
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05011	0.7
60.08167	7.9
60.80692	0.5
67.05496	0.7
69.54552	1.0
69.54966	3.6
71.07387	3.5
77.09336	0.6
79.89489	0.5
86.09709	34.9
98.98489	3.3
104.10755	2.7
125.00005	24.6
184.07346	100.0
185.07689	0.6
220.41803	0.5
298.16309	0.5
368.50723	0.6
454.28552	0.6
517.38971	1.0
688.45294	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.4541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54018	0.1
54.69120	0.1
55.05510	0.2
56.05039	0.8
57.03419	0.2
57.07061	0.3
58.06629	0.5
59.07402	0.2
60.08158	6.1
67.01856	0.3
67.05502	0.8
68.05887	0.1
68.99801	0.1
69.07067	0.2
71.07371	2.9
71.08614	0.2
71.51087	0.2
79.05486	0.3
80.05782	0.1
81.03403	0.7
81.07048	0.4
83.08606	0.1
86.09698	28.9
87.10034	0.2
91.05460	0.3
93.07030	0.3
95.08590	0.4
98.98455	3.0
104.10734	2.1
105.07020	0.2
109.10148	0.4
110.84763	0.1
121.10123	0.2
124.99988	20.2
129.06987	0.1
131.08546	0.1
135.04443	0.6
136.04729	0.1
137.02338	0.3
143.01021	0.3
147.07976	0.1
152.12924	0.1
153.01811	2.0
154.02159	0.4
161.02367	0.3
166.02650	0.2
171.02853	0.5
172.03226	0.1
173.11810	0.2
179.03395	0.2
184.07323	100.0
185.07643	0.6
225.23198	0.1
229.14424	0.2
241.04755	0.2
242.05342	0.2
269.04477	0.1
287.05469	33.5
288.05807	22.9
289.06012	1.2
320.42191	0.1
335.25690	0.2
337.26819	0.1
440.21573	0.1
496.33908	0.2
525.09875	0.1
688.34174	0.3
688.45490	1.9
689.45428	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.4544
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05018	1.1
57.07091	0.6
58.06601	0.4
60.08168	5.8
67.05504	0.5
68.80772	0.5
71.07360	2.5
71.52744	0.7
79.05000	0.4
79.05499	0.4
85.08785	0.5
86.09704	30.2
87.71996	0.4
89.06062	0.5
97.09033	0.5
98.98464	3.0
104.10754	2.3
125.00005	20.0
168.55229	0.4
184.07338	100.0
185.07668	0.6
195.99162	0.5
197.53801	0.5
266.15994	0.4
321.70026	0.5
349.35934	0.4
421.32611	0.5
453.05130	0.5
671.48230	0.5
688.45190	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4466
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.1
55.05508	10.1
57.03438	10.3
57.07072	3.5
59.04988	3.2
61.02923	4.4
65.03928	3.0
67.05502	85.9
69.07057	9.6
69.36897	16.0
69.75108	1.8
71.04985	3.3
71.08616	2.8
73.02938	1.7
79.05491	18.6
81.03423	1.9
81.07053	35.8
83.08620	7.3
85.02905	3.6
85.06536	3.0
91.05476	10.7
93.07040	18.1
95.04984	1.8
95.08604	25.5
97.10201	2.2
98.20788	4.2
103.78297	1.7
105.07030	5.3
107.08562	11.4
109.10149	61.7
111.08048	2.2
112.69224	2.0
117.07062	1.8
119.08583	9.7
121.10122	10.3
123.11678	3.2
131.08571	5.2
133.10153	4.5
135.04388	2.7
135.11700	6.8
137.09679	3.7
145.10078	2.7
147.04379	3.1
147.11703	2.8
149.13251	3.9
153.01839	4.2
155.10716	4.8
159.11682	2.6
173.11743	16.5
173.13112	3.0
176.33183	1.7
184.07410	2.7
187.14853	2.1
227.12762	3.8
229.14339	86.1
243.21091	5.2
261.22128	16.8
287.05475	100.0
317.24847	4.3
335.25766	57.4
486.40222	3.2
489.35788	29.0
507.36591	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	687.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67301	0.1
55.05497	0.1
57.03421	0.1
57.07067	0.2
67.01852	0.3
67.05503	0.6
68.99773	0.4
69.03410	0.2
69.07066	0.1
69.93095	0.3
70.01750	0.1
71.08609	0.2
79.05453	0.1
81.03400	0.3
81.07048	0.3
83.08616	0.1
85.10150	0.1
85.53141	0.1
86.09705	0.5
89.03928	0.1
91.05495	0.1
92.05827	0.1
93.07020	0.1
95.08611	0.4
97.02880	0.2
106.73371	0.1
107.08542	0.1
109.02862	0.2
109.10137	0.5
117.03359	0.1
117.86113	0.1
124.99986	0.3
126.24221	0.1
127.03902	0.2
129.01807	0.2
129.06998	0.1
135.04431	1.3
137.02351	0.5
137.03249	0.1
153.01823	4.1
161.02327	0.7
171.02896	0.7
179.03365	0.2
184.07338	1.5
201.05479	0.1
203.03384	0.1
213.05437	0.1
215.58658	0.1
219.06564	0.2
229.14313	0.3
230.14722	0.1
231.06363	0.1
239.23619	0.2
241.04900	0.5
245.04446	0.2
253.29146	0.1
259.06079	0.1
263.05347	0.1
269.04352	0.5
270.82938	0.1
286.04666	0.1
287.05484	100.0
288.05820	2.0
335.25931	0.1
336.26038	0.1
383.27731	0.1
402.20404	0.1
490.36099	0.3
568.08557	0.1
687.33319	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.2
55.01869	4.8
55.05273	0.7
55.05512	8.4
57.03438	5.9
57.07063	0.8
59.04977	1.6
61.02916	2.4
67.05505	6.2
69.03400	1.0
69.07063	1.4
70.77004	1.7
71.01334	0.6
71.04976	2.2
73.02895	1.2
79.05027	0.6
79.05489	9.5
81.03413	6.0
81.07053	8.8
83.01334	5.8
83.04984	6.6
83.08614	5.9
85.02899	4.3
85.06506	0.6
91.03946	1.2
91.05475	6.2
93.07035	12.7
95.04972	3.5
95.08598	3.8
97.02888	2.1
97.06521	2.7
99.04429	1.4
103.05469	0.7
105.07026	5.7
107.04955	4.6
107.08591	7.3
109.06502	4.4
109.10154	1.1
111.04427	1.7
111.08072	0.8
117.06997	3.7
119.08557	3.9
121.06487	1.4
121.10133	4.7
123.08064	5.8
124.10230	0.4
125.05952	1.3
125.09601	1.0
127.03871	0.5
128.23376	0.4
129.06967	0.9
130.07771	0.6
131.08527	1.5
133.10117	1.7
135.08034	1.1
135.11697	6.4
145.10104	9.1
147.08038	1.3
149.09587	0.6
153.12703	1.8
163.11165	13.9
173.09601	1.8
173.46796	0.5
181.12186	1.7
191.10649	1.8
209.11707	5.5
222.11177	0.8
227.12784	3.0
283.15378	100.0
284.15704	3.0
320.09061	0.8
491.26367	46.4
492.26730	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	686.4104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.9
55.01865	3.7
55.05512	8.0
56.05016	2.6
57.03440	5.7
57.07067	2.8
58.06591	2.2
60.04522	41.5
61.02913	3.3
65.03925	1.6
65.89022	1.1
67.05499	18.7
68.05038	1.6
69.03432	12.4
69.07063	8.8
71.01348	1.4
71.04984	2.2
71.08610	1.6
72.04510	4.0
73.02923	2.6
74.06079	7.5
78.30284	0.9
79.05492	16.9
80.05006	3.7
81.03423	11.0
81.07051	20.4
82.06568	1.4
83.04974	1.9
83.08629	5.1
85.02900	19.6
86.06065	2.4
87.04450	2.0
88.07621	11.6
91.03999	1.5
91.05457	11.8
93.07042	11.4
94.06567	2.2
95.04960	16.8
95.08598	11.8
96.04489	3.1
96.08109	2.4
97.02878	9.8
97.10155	2.8
97.47191	1.3
98.06062	1.5
98.20737	2.2
99.04462	1.6
105.03397	1.5
105.04525	1.6
105.07034	6.4
106.06547	16.7
107.04962	8.9
107.08602	3.4
108.08127	4.1
109.02872	10.1
109.06521	4.6
109.10152	4.5
111.04443	1.9
111.08102	1.8
113.06045	1.3
117.07017	1.9
119.08580	5.7
120.08120	1.6
121.06502	2.7
121.10164	3.6
123.04419	6.1
123.11750	1.4
124.03949	42.9
124.04850	2.4
124.07612	1.4
126.05516	4.0
127.03941	5.6
129.07033	1.3
130.06523	1.6
131.04884	1.6
133.02856	1.3
133.10136	3.1
135.04420	1.3
135.11687	2.5
137.05945	2.7
138.05511	2.7
138.09138	1.4
139.03882	10.8
140.03430	2.1
140.07101	2.6
141.05450	5.2
142.00145	1.1
148.07576	7.5
149.05994	2.5
150.05504	1.0
150.09192	1.7
151.03902	5.8
152.06984	1.3
162.09232	1.1
165.05470	60.5
166.04939	1.3
166.08647	2.5
167.07033	2.1
168.06573	9.0
170.08199	1.5
176.07051	8.3
177.05443	2.6
178.08626	1.0
180.10310	1.2
181.05037	1.6
182.08151	1.7
183.06558	2.1
184.07324	2.0
184.09717	3.2
208.09770	3.7
209.08212	1.8
210.11162	1.6
211.09706	2.6
218.80070	1.1
220.09703	1.5
238.10815	2.7
252.12192	5.1
254.17526	1.7
263.23694	1.9
268.11847	2.0
270.13348	10.7
280.26340	8.9
298.27417	13.7
311.77396	1.1
317.24838	2.1
342.30023	3.9
358.09998	1.1
387.38123	1.4
404.27893	2.9
404.31876	21.9
422.28729	6.5
432.18784	6.7
436.30475	2.5
438.32059	2.2
474.32071	8.6
492.33304	5.7
506.34750	47.2
507.35382	3.5
524.35852	42.2
524.43732	2.3
527.37549	1.5
545.38086	11.5
566.36914	1.6
575.40228	1.1
589.46576	1.2
668.39783	6.2
686.41052	100.0
687.41772	5.9
712.55267	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34052	0.6
57.03429	1.5
65.53975	0.6
69.03419	1.4
69.92971	3.3
71.04993	15.6
73.02905	1.7
75.04468	0.9
81.03425	0.8
83.04978	1.6
85.02906	20.0
91.05469	4.4
94.04215	0.8
95.04964	2.1
97.02894	0.7
103.05442	1.4
105.07010	1.4
107.04934	1.4
109.06512	1.3
111.04436	0.7
117.06982	0.7
119.04916	3.9
121.06522	1.6
122.03667	1.6
127.03920	0.8
129.05486	8.5
129.06943	3.5
131.04910	4.3
135.08073	0.9
137.05975	40.7
143.04865	1.0
145.04932	0.9
145.06477	1.4
146.08054	0.9
147.04485	0.7
147.06532	3.0
147.08051	0.9
149.05998	5.8
151.03989	1.2
151.07542	39.5
157.06480	3.9
161.05975	5.8
162.06673	0.7
163.07547	18.9
164.09169	3.1
165.07022	0.8
165.09128	2.0
167.08525	3.3
171.08054	1.4
174.06752	2.0
175.07545	8.4
177.05492	1.8
177.09096	18.1
178.07756	0.8
179.78989	0.7
183.08115	0.8
189.09100	12.9
193.06459	1.4
193.10153	1.3
195.08066	5.8
195.10153	4.2
202.07990	0.6
203.06969	0.9
203.10733	1.0
207.10165	2.8
208.98506	0.7
209.09669	1.3
217.08653	0.8
219.10143	1.7
221.05981	2.8
221.09616	2.4
221.11742	6.5
223.07559	4.9
224.08199	1.1
225.09065	2.6
227.10667	12.0
229.33835	0.7
231.10228	0.7
235.09579	0.7
237.09077	1.5
238.06334	1.1
239.07034	0.8
240.07832	1.1
241.12173	1.0
249.09094	2.1
249.11327	2.0
253.08618	4.4
253.12242	6.9
255.10197	12.6
264.07715	0.8
265.08649	1.0
267.10202	1.8
269.08081	1.1
269.11789	1.4
272.10416	2.0
281.11786	2.9
285.11234	8.4
287.09637	1.0
287.12793	21.1
297.11145	1.1
299.12830	2.1
303.10172	0.7
311.12787	2.9
313.14340	18.3
323.12921	1.0
325.14221	0.9
328.13040	0.9
331.15396	100.0
332.15652	2.4
335.12564	1.1
337.14194	1.6
343.15393	10.9
353.13657	0.8
355.15384	3.7
357.16995	1.2
365.13837	1.0
367.15329	4.7
379.15140	0.7
385.16528	5.7
397.16537	2.1
405.16922	0.8
423.18173	3.6
441.19025	3.0
459.20074	1.9
477.21170	2.8
492.18195	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4466
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.1
55.05508	10.1
57.03438	10.3
57.07072	3.5
59.04988	3.2
61.02923	4.4
65.03928	3.0
67.05502	85.9
69.07057	9.6
69.36897	16.0
69.75108	1.8
71.04985	3.3
71.08616	2.8
73.02938	1.7
79.05491	18.6
81.03423	1.9
81.07053	35.8
83.08620	7.3
85.02905	3.6
85.06536	3.0
91.05476	10.7
93.07040	18.1
95.04984	1.8
95.08604	25.5
97.10201	2.2
98.20788	4.2
103.78297	1.7
105.07030	5.3
107.08562	11.4
109.10149	61.7
111.08048	2.2
112.69224	2.0
117.07062	1.8
119.08583	9.7
121.10122	10.3
123.11678	3.2
131.08571	5.2
133.10153	4.5
135.04388	2.7
135.11700	6.8
137.09679	3.7
145.10078	2.7
147.04379	3.1
147.11703	2.8
149.13251	3.9
153.01839	4.2
155.10716	4.8
159.11682	2.6
173.11743	16.5
173.13112	3.0
176.33183	1.7
184.07410	2.7
187.14853	2.1
227.12762	3.8
229.14339	86.1
243.21091	5.2
261.22128	16.8
287.05475	100.0
317.24847	4.3
335.25766	57.4
486.40222	3.2
489.35788	29.0
507.36591	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	685.4522
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	3.4
55.01875	6.8
55.05510	29.7
57.03420	7.5
57.07075	36.2
65.03950	3.0
66.28441	3.2
67.05499	35.3
69.03416	9.6
69.07066	11.2
71.04983	4.4
71.08618	20.7
71.52403	3.5
79.05493	20.3
81.02943	3.4
81.03419	52.1
81.07043	41.7
82.28072	2.6
83.04980	49.0
83.08610	20.6
85.02898	12.5
85.06533	2.7
85.10175	11.2
89.03829	2.7
91.05463	21.0
91.46297	3.3
93.07032	20.8
95.04961	14.5
95.08602	21.1
97.02890	9.3
97.06518	5.5
97.10164	8.6
105.07026	19.0
107.04938	4.4
107.08570	8.7
109.02871	8.4
109.06516	2.8
109.10144	12.9
111.04446	15.9
111.08072	4.3
117.07009	4.3
119.08578	10.5
121.10146	9.0
123.08055	3.5
123.11703	4.7
127.03904	8.1
129.05478	27.4
129.06979	7.7
131.08549	6.5
133.06502	3.3
133.10132	6.8
135.04428	3.8
135.11693	6.7
145.10135	4.2
147.08151	3.3
147.11699	10.5
149.09648	5.1
153.12636	3.8
157.10114	7.5
163.03894	15.6
163.11188	5.5
163.20703	3.2
165.12790	3.1
175.11169	7.8
181.12138	3.7
184.07318	5.0
193.12257	22.9
193.69302	3.0
211.13264	34.4
213.05429	4.6
227.12910	9.0
229.14392	4.8
239.23578	5.5
244.36398	2.7
244.72658	2.8
266.95853	3.0
267.15875	10.3
283.15475	6.3
285.17062	7.7
287.05496	100.0
288.05798	5.5
309.17212	3.5
313.27347	47.6
337.14172	5.6
411.19043	2.9
429.20129	10.1
505.38925	9.2
523.39978	54.2
545.38293	22.0
667.43573	13.9
685.43030	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	685.4522
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	10.3
55.05513	40.7
57.03429	30.3
57.07077	52.3
63.49436	4.9
67.05510	63.1
69.03423	27.1
69.07067	24.4
71.04981	11.0
71.08633	29.4
71.52466	8.8
73.02922	6.2
79.05485	35.9
81.03420	100.0
81.07062	65.4
83.04977	70.6
83.08616	40.2
85.02909	19.3
85.10172	20.1
91.05428	30.1
93.07047	30.4
95.04964	36.1
95.08617	48.5
97.02898	26.8
97.10160	9.9
99.04445	10.0
105.07050	26.7
107.04952	12.5
107.08606	14.3
109.02873	11.9
109.10159	23.6
111.04446	25.0
111.08102	10.8
119.08575	28.7
121.10150	12.3
123.11716	5.3
125.00005	14.2
125.09735	7.7
127.03909	13.7
129.05479	29.6
129.07043	10.9
130.04074	5.5
131.08554	12.7
133.10115	13.6
147.11696	17.0
157.10161	17.3
163.03854	10.1
163.11064	6.2
164.07159	10.1
165.12901	6.5
167.95102	5.4
175.11238	18.0
190.08635	17.5
191.08992	10.7
191.10649	13.1
193.12283	52.9
201.85838	6.0
211.13324	99.2
227.12782	8.4
239.23784	8.4
249.15097	6.3
252.13716	6.5
267.15958	14.9
285.17007	16.2
287.05496	10.4
288.06412	23.3
289.06595	13.9
311.12753	6.4
313.27377	93.2
337.27414	6.7
338.27975	8.0
348.08417	12.1
349.09009	6.5
350.11584	16.3
355.17148	6.0
411.20175	6.7
412.87283	7.1
429.19525	10.6
505.38995	13.7
523.39972	76.0
545.38385	7.5
632.15765	6.8
667.44067	31.4
685.28473	18.6
685.44604	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	685.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55521	1.5
55.01864	2.6
55.05503	2.0
57.03411	1.6
59.72002	1.4
60.03416	1.5
65.03931	2.2
67.01440	1.4
67.05495	4.1
69.03418	6.6
71.04990	7.7
71.51127	2.2
78.04711	1.7
79.05505	9.3
81.03399	4.7
81.07056	3.1
83.04974	5.3
83.59040	1.9
85.02910	17.9
91.05477	14.7
93.07018	5.1
94.04178	2.3
95.04967	15.2
95.08633	1.9
96.39053	1.6
97.02875	2.3
97.06522	3.8
99.04424	2.0
103.05469	13.2
105.07017	8.2
107.04943	15.4
107.08540	2.6
109.02853	2.7
109.06504	3.3
109.10123	1.6
111.04427	8.4
111.32723	1.5
115.05421	5.8
117.06992	7.6
119.04912	6.1
119.08606	2.0
121.06493	10.8
122.03627	5.1
123.04418	7.4
123.08017	3.3
124.05213	1.8
125.05948	2.6
128.06212	3.1
129.05519	2.4
129.06975	7.0
130.58923	1.5
131.04922	19.9
131.08516	7.0
133.02832	3.7
133.06441	5.7
135.04399	8.4
135.08000	3.6
137.05972	56.2
137.09570	3.8
143.04907	4.7
144.05650	2.5
145.06485	9.2
146.03580	2.4
147.04405	8.4
147.08029	2.5
149.05977	8.4
151.03917	9.1
151.07542	22.7
152.04691	2.4
153.05423	4.1
155.06062	1.9
157.06462	7.6
159.08005	5.9
160.05159	3.5
161.05962	21.1
161.09592	6.2
163.03922	2.5
163.07539	30.7
165.05478	3.2
165.06868	2.5
165.09119	8.2
167.07036	100.0
168.07381	1.9
169.06451	2.9
171.08029	3.4
173.05962	6.8
174.06761	3.9
175.07541	16.7
176.08290	2.3
177.05449	6.2
177.09085	15.2
179.07114	7.9
179.08397	1.6
181.04993	8.8
181.08601	28.8
187.07481	4.5
189.07396	2.6
189.09079	22.6
191.07022	12.6
191.08528	2.9
191.10658	8.8
193.08577	7.0
195.08142	2.6
195.10143	7.0
197.05920	2.6
199.07463	3.4
203.06958	5.0
205.08501	3.6
207.06398	2.6
207.10030	7.8
209.08099	1.9
211.07489	4.0
215.06894	2.8
215.10674	1.6
217.08524	4.1
219.07974	4.6
219.10150	4.7
221.07961	2.9
223.07460	2.3
225.09052	4.6
227.06920	2.7
233.07948	3.9
235.07545	2.4
236.08327	2.4
237.08977	3.3
240.07747	1.7
241.08519	3.7
247.07420	6.2
247.09743	2.9
248.08395	2.2
249.08905	1.8
251.06946	2.8
251.10674	2.3
253.08681	3.3
255.10201	3.4
257.11755	2.3
259.09662	2.7
261.11334	2.0
264.07700	2.4
265.08502	4.3
275.10583	2.5
277.08582	4.4
278.09299	3.0
279.10089	4.6
283.09714	3.9
283.13162	2.9
284.10181	1.7
285.11133	6.9
287.05573	2.1
291.10040	2.5
292.06964	2.8
295.09546	2.8
296.10352	1.9
297.11115	4.7
307.09424	4.8
309.11118	3.3
311.12717	5.9
315.12106	5.8
317.13870	5.9
321.11243	3.6
323.12115	2.6
326.11133	1.7
329.13870	3.8
335.12604	4.3
337.10535	2.5
337.14240	1.9
339.12241	4.8
341.13858	4.2
343.15320	5.7
345.16754	3.4
351.12064	2.8
353.13708	4.7
355.15479	4.0
359.14850	2.9
361.16437	38.1
363.17743	2.7
365.13733	4.4
367.15390	6.6
371.14780	2.2
373.16394	4.8
383.14630	2.8
385.16519	4.8
397.16370	4.6
489.17682	3.9
509.20950	3.1
521.21680	9.1
539.22351	4.6
685.25085	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	681.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71072	0.1
67.01871	0.5
67.05487	0.2
68.99756	0.5
69.03421	0.1
70.57951	0.1
70.58319	0.2
79.05469	0.3
81.03381	0.2
81.07044	0.2
84.92549	0.1
87.09863	0.1
89.03915	0.2
91.05473	0.2
93.07013	0.2
95.04910	0.1
95.08578	0.1
97.02910	0.1
98.20747	0.1
105.07020	0.2
105.58662	0.1
107.08571	0.1
109.06526	0.1
109.10117	0.1
117.03381	0.1
118.97308	0.1
121.10126	0.2
129.01831	0.1
133.10149	0.1
135.04410	1.6
137.02324	0.5
153.01813	4.2
155.67735	0.1
161.02325	0.6
171.02893	0.7
171.04181	0.1
179.03320	0.2
184.34145	0.1
184.80896	0.1
201.05496	0.1
203.03412	0.2
213.05342	0.2
217.05013	0.1
219.06509	0.2
222.45836	0.1
233.31154	0.1
241.04904	0.6
245.04341	0.2
254.67793	0.1
259.06006	0.1
269.04419	0.3
277.13876	0.1
287.05466	100.0
288.05823	0.9
306.25195	0.1
681.28748	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.1
55.01878	9.9
55.05507	14.9
57.03441	3.0
65.03931	2.7
67.05503	36.0
67.62130	1.4
69.03436	4.0
69.07071	11.7
69.91286	8.4
70.06583	1.6
71.04992	4.2
79.05490	41.5
81.03413	7.7
81.07053	82.5
83.04965	4.5
83.08624	10.5
85.02906	2.1
89.00623	2.8
91.05477	31.8
93.07041	28.9
93.82117	1.6
95.04953	26.6
95.08604	20.6
97.06525	6.4
97.10150	5.9
99.08092	3.4
103.05453	2.8
105.07035	21.2
107.04958	15.7
107.08605	21.9
109.02835	2.3
109.06518	23.7
109.10168	13.9
111.04426	2.5
111.08047	2.9
115.03862	1.5
115.05436	2.3
117.06996	11.9
118.07268	1.6
119.04919	2.2
119.08578	25.3
121.06525	11.3
121.10136	19.3
122.43733	1.5
123.04413	2.8
123.08057	22.2
123.11720	2.4
125.09618	6.6
128.06221	4.0
129.06999	6.9
131.04955	2.6
131.08549	20.4
133.06442	2.8
133.10126	13.4
135.04382	4.2
135.08014	8.2
135.11710	8.6
137.09610	4.9
141.06998	3.5
143.08525	5.7
145.06503	3.4
145.10120	17.4
147.04411	3.6
147.08070	11.9
147.11687	5.5
149.09637	18.4
149.13254	2.2
151.07510	1.9
155.08540	3.6
157.06520	5.7
157.10132	7.7
159.04436	6.0
159.08040	4.6
159.11662	5.1
161.02374	5.5
161.06017	2.0
161.09645	9.8
161.13258	1.9
163.03885	29.3
163.11154	12.3
164.54385	1.7
165.05444	7.3
165.09129	3.3
165.12770	1.9
167.08540	1.9
171.11696	3.7
173.02341	26.5
173.05989	5.0
173.09599	7.1
173.13177	2.1
175.03923	4.4
175.11189	6.0
177.12729	2.6
181.06438	2.9
181.10104	1.8
183.04457	2.7
183.08107	1.9
183.11717	1.9
184.07350	4.4
185.06053	3.5
185.13245	3.4
187.03912	15.4
189.12714	1.9
191.10695	2.5
193.12167	2.3
195.11728	1.9
197.05908	3.1
199.03928	14.4
199.11096	2.4
201.05478	5.1
211.07578	2.0
213.05434	18.6
213.08852	2.3
215.03615	1.9
215.06975	2.5
216.64116	1.8
220.89726	1.7
223.07437	2.0
223.13272	3.4
225.05394	2.2
227.07010	2.7
227.17921	3.6
231.17397	1.9
241.08594	2.7
245.19020	3.1
247.17075	1.8
249.14870	3.0
255.17505	4.1
263.10675	2.0
265.17935	3.3
267.10123	3.5
267.13458	2.4
270.10757	1.9
271.16824	3.1
273.18491	37.5
274.19284	6.0
275.19907	2.3
283.13248	2.4
291.10211	2.3
291.19534	91.2
292.20322	16.1
293.11810	2.3
300.58932	1.7
311.12750	5.9
313.14191	2.4
315.12137	9.5
325.14206	5.3
325.18329	4.5
329.13983	1.8
339.15695	4.8
346.62363	1.9
353.13757	2.4
361.15234	1.9
367.15240	3.5
371.14557	2.0
385.16553	2.9
391.22589	8.3
399.19461	2.9
407.21970	3.3
408.78354	1.8
417.20578	21.0
430.20349	2.1
435.21655	100.0
436.22217	3.9
453.22708	85.2
454.22858	2.6
471.23993	8.3
551.35199	1.9
585.72284	1.9
627.27893	5.7
649.27173	2.1
680.26801	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	677.374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.1
53.67346	1.4
55.01872	1.6
55.05514	14.7
57.03436	8.4
57.07070	4.9
61.02930	18.6
64.33899	1.3
65.03929	2.6
67.05506	90.6
67.33164	1.4
69.03413	4.4
69.07069	17.8
69.31512	15.1
70.76862	1.2
71.04987	3.5
72.50621	1.5
73.02917	10.2
79.05494	53.8
81.03452	3.2
81.07057	100.0
81.24670	1.5
83.04987	2.3
83.08616	10.6
85.02913	21.4
85.06535	4.0
85.50278	1.3
91.03961	19.6
91.05480	28.9
93.07045	65.1
95.04948	5.5
95.08608	73.8
97.02904	11.8
97.06506	4.1
97.10192	3.2
98.21471	3.0
99.04447	1.8
99.08096	3.8
104.19118	1.4
105.07028	19.8
107.08596	42.0
109.06470	2.9
109.10153	37.7
111.08059	2.7
113.09634	1.9
117.07024	12.0
119.08579	17.1
121.10134	38.4
123.11700	25.3
125.09657	1.7
127.03896	6.3
131.08575	26.3
133.10132	17.9
135.11693	31.4
137.09589	3.2
137.13281	7.5
139.11188	3.1
145.04970	7.3
145.10129	16.9
147.11667	14.3
149.13264	22.7
151.11166	4.0
151.14783	2.8
159.11705	16.5
161.13258	12.0
163.06017	11.7
163.11124	2.2
163.14815	14.7
165.12793	3.1
173.11868	2.2
173.13210	14.6
175.14809	3.7
177.16327	6.1
179.14270	2.3
187.14786	9.9
191.14311	2.4
201.16406	3.0
233.22533	3.7
243.21060	36.0
261.22137	98.1
262.22647	1.8
279.23129	6.0
335.25787	33.4
353.26871	32.8
374.53610	1.8
497.30908	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	680.3274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	5.3
55.01873	10.3
55.05516	17.4
55.36933	3.0
63.37122	3.5
65.72064	3.5
65.81953	3.3
67.05504	41.3
69.03452	5.0
69.07061	16.6
70.64964	10.9
70.82052	3.1
75.85952	3.0
79.05483	39.7
80.42812	3.7
81.03394	9.0
81.07056	78.2
83.04998	5.1
83.08614	8.2
85.02883	4.0
85.52139	3.8
91.05482	33.0
93.07053	38.6
95.04957	29.0
95.08615	20.1
97.06531	4.4
97.10191	6.4
103.05463	3.4
105.07016	27.7
107.04956	17.3
107.08599	24.2
109.06522	29.4
109.10172	10.0
111.08046	4.5
117.07032	15.4
119.08572	20.4
121.06525	12.5
121.10168	18.8
123.04430	4.0
123.08088	17.0
125.09644	11.1
129.07025	10.3
131.04924	4.2
131.08580	19.2
133.06546	5.4
133.10129	11.1
135.04405	6.3
135.08015	8.5
135.11670	4.8
137.05988	5.8
137.09660	5.6
143.08562	9.1
144.07895	4.2
145.06531	6.0
145.10141	18.0
147.08057	16.1
147.11731	5.1
149.09666	16.5
157.06496	6.8
157.10150	9.4
159.04414	9.4
159.11745	11.2
160.05655	4.0
161.09627	12.1
161.13171	3.8
163.03896	53.2
163.11169	15.0
173.02356	28.1
173.05980	4.9
175.11177	7.6
177.12749	13.3
183.04454	5.5
185.06041	5.7
187.03922	14.5
189.11276	5.8
191.10602	4.7
199.03853	18.1
201.05614	4.3
209.09422	3.4
213.05414	25.6
225.05487	7.3
232.09659	5.8
241.08620	10.9
245.18945	4.9
255.17387	6.5
273.18457	39.0
274.19287	7.8
291.19534	100.0
292.20239	14.0
294.97476	3.5
311.12753	10.1
315.12280	11.3
325.14175	4.5
330.07327	5.4
339.16113	8.7
391.22446	8.4
417.20718	22.0
435.21698	72.4
453.22723	75.3
471.23413	8.0
609.26019	4.2
610.20563	4.0
627.27551	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	676.4544
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51690	0.1
54.34151	0.1
55.05507	0.2
56.05023	0.6
57.07066	0.2
58.06356	0.2
58.06618	0.5
60.08165	6.4
67.05485	0.3
71.07370	3.0
74.09718	0.9
79.05471	0.2
81.07054	0.2
83.08611	0.3
84.50734	0.2
85.10168	0.1
86.09705	30.4
91.05436	0.2
93.07047	0.2
95.08595	0.2
98.21568	0.2
98.98473	3.0
104.10752	2.7
105.27346	0.2
106.70486	0.2
109.10143	0.2
116.99590	0.2
125.00003	20.2
133.10149	0.2
143.01070	0.2
163.11264	0.2
184.07339	100.0
185.07738	0.5
209.73254	0.1
229.65553	0.2
239.68069	0.2
267.15814	0.2
371.67236	0.2
493.38788	0.2
496.34009	0.2
504.37726	0.5
583.13983	0.2
634.28656	0.2
676.45441	6.3
677.45386	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.3893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.7
53.16668	2.0
55.01875	4.0
55.05517	12.6
57.03436	11.5
61.02903	3.4
67.05507	43.7
69.00091	1.7
69.03401	3.1
69.07067	12.6
69.28438	1.7
69.52982	5.8
69.53417	7.6
71.04999	4.5
73.02909	2.9
79.05496	29.0
81.02942	1.8
81.03421	39.3
81.07059	54.8
81.62311	1.7
83.04977	13.7
83.08622	17.6
85.02910	17.4
85.06541	4.5
85.51705	1.7
86.09697	2.0
88.34788	2.0
91.05477	24.3
92.88399	2.1
93.07043	37.2
95.04980	18.5
95.08620	12.9
97.02882	5.0
97.06523	9.0
97.10143	4.0
98.41425	1.8
99.08081	2.7
105.07055	15.5
107.04961	4.7
107.08595	20.2
109.06511	4.7
109.10181	2.2
111.04428	3.9
111.08067	9.8
117.07018	4.7
119.08586	13.8
121.10146	14.4
123.08076	2.5
123.11733	1.8
129.07011	6.0
131.08588	11.6
131.09453	1.8
133.10132	9.4
135.11697	4.7
137.09621	5.0
142.07755	2.8
145.10103	2.4
147.11729	9.8
149.09605	4.6
149.13255	15.2
157.10106	10.1
159.11716	7.8
163.03896	3.2
165.12819	4.2
175.11179	10.2
177.12816	3.5
193.12262	30.0
195.13821	5.6
211.13287	35.4
211.59679	1.8
250.36243	1.6
267.15924	21.9
269.17493	54.6
285.16919	27.3
445.18402	3.2
456.18216	2.2
458.14987	2.4
461.28979	49.6
471.16479	2.5
472.16742	3.5
479.30038	69.6
481.14877	2.9
484.17145	3.0
486.18893	2.9
496.16962	8.1
497.17593	5.7
498.18652	12.0
514.18170	4.0
556.18719	9.5
557.18872	2.7
618.22937	2.4
644.24335	6.0
661.24829	3.7
676.26862	100.0
677.26904	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	0.3
57.24368	0.3
67.05505	0.5
68.73213	0.3
69.87515	1.8
71.12373	0.3
72.99236	0.3
78.11420	0.3
81.03403	0.3
81.07059	0.7
91.05476	0.6
91.66277	0.4
93.07047	0.6
95.04979	0.3
98.21535	0.3
105.07044	0.5
109.10104	0.5
119.08633	0.3
144.08119	0.5
156.79149	0.3
163.03853	0.4
168.55852	0.3
287.05545	0.5
413.15778	0.6
414.69159	0.4
421.12405	0.4
441.15311	0.5
445.18884	0.5
453.15784	0.5
454.16837	0.9
456.14087	0.4
457.19061	0.5
467.12845	0.7
468.13492	2.1
469.14685	6.2
470.15378	1.9
471.16608	0.9
472.17783	0.5
481.14752	2.5
482.15817	8.6
483.16632	7.5
484.17349	1.9
485.18405	1.3
495.16611	2.8
496.17557	5.3
497.18250	33.3
498.18912	3.5
499.20361	0.6
500.17032	0.4
501.17612	0.7
509.18863	0.4
510.19406	1.9
511.19907	4.9
512.20770	1.1
513.17621	0.7
515.19342	1.9
523.16125	0.8
527.16400	0.4
528.16217	1.6
538.20660	1.1
541.17444	1.0
542.17517	2.1
545.59229	0.4
555.18579	3.7
556.19208	2.9
557.02161	0.4
557.20233	2.9
569.20245	0.6
573.21899	1.1
616.21808	1.2
617.22729	0.7
625.23016	0.4
629.23187	0.4
643.24023	6.0
644.24695	5.8
645.23981	1.1
657.25641	5.2
660.24402	1.5
675.26611	100.0
676.26672	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	676.3894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.7
55.01855	4.6
55.05505	17.4
57.03428	14.5
57.07056	2.1
61.02904	5.2
61.70125	1.5
65.03922	1.8
66.77103	1.4
67.05500	39.0
69.03421	3.2
69.07056	12.7
69.43625	11.6
70.75939	1.3
71.04980	5.3
72.62325	1.2
73.02895	1.5
79.05488	31.3
79.69645	1.7
81.03415	41.2
81.07050	60.4
83.04968	15.0
83.08612	19.4
85.02897	17.0
85.06532	4.7
86.09697	1.7
91.05473	23.1
93.07040	44.1
95.04960	17.3
95.08598	18.9
97.02869	4.9
97.06528	10.7
97.10152	2.7
98.21545	2.5
98.61074	1.2
99.08087	1.7
105.07033	17.4
107.04941	5.0
107.08585	18.8
109.02809	1.6
109.06509	4.1
109.10129	4.6
111.04445	2.1
111.08064	8.0
117.06990	5.3
119.08557	12.9
121.06474	3.0
121.10140	13.4
123.11690	2.1
124.99952	2.3
129.07001	7.5
131.08554	11.4
133.06453	2.9
133.10101	7.7
135.11655	4.7
142.07690	1.9
147.08057	2.3
147.11679	10.2
149.09564	2.0
149.13240	16.0
157.10136	6.8
159.11661	8.2
163.03857	2.0
165.12775	1.9
175.11203	8.3
177.12686	4.2
184.07332	9.3
193.12231	21.4
195.13805	7.5
211.13274	32.6
230.86688	1.4
267.15894	17.2
269.17468	72.1
285.16940	24.2
435.26941	2.7
453.39734	1.6
461.28918	37.9
479.30014	100.0
690.26630	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	0.6
71.50023	0.3
79.05478	0.5
81.03426	0.4
81.07043	0.8
85.02860	0.4
91.05479	0.7
91.72231	0.3
93.07043	0.6
93.98745	0.3
95.04974	0.4
97.06525	0.4
105.07051	0.4
107.08569	0.6
109.06549	0.3
119.08572	0.3
122.52834	0.4
124.33184	0.3
131.08565	0.4
147.04404	0.4
161.09663	0.3
163.03894	0.6
184.07404	0.7
204.64856	0.4
380.68793	0.3
413.16263	0.6
416.14639	0.5
429.15607	1.4
430.16644	1.1
440.18835	0.5
440.73288	0.3
441.19724	0.6
443.17230	1.3
444.18008	1.7
445.18893	1.7
453.15637	0.7
454.16461	0.4
455.12827	0.6
455.18048	0.5
456.14023	0.6
457.14914	1.7
467.12570	0.6
467.17984	0.9
468.14294	1.4
469.15042	1.7
469.19803	0.9
470.15912	1.5
471.16391	3.4
472.17334	0.9
480.14383	1.4
481.14883	2.9
482.15881	3.0
483.16736	4.5
484.17752	1.7
485.18536	4.3
494.15829	0.5
495.16638	9.2
496.17456	5.1
497.18152	8.8
498.19037	1.6
499.19891	0.6
500.16876	0.8
502.18484	0.5
511.19620	0.5
513.17548	2.1
515.19257	1.0
528.16364	0.6
529.20520	1.0
530.21368	0.4
531.18213	0.6
536.19073	0.5
538.20514	0.5
542.17609	0.9
555.18500	10.1
556.19733	1.0
557.20300	1.0
569.20203	0.4
573.23590	2.9
583.21790	1.1
584.22742	0.6
585.23218	0.5
596.21759	0.5
601.23651	0.5
611.21936	0.6
616.22156	0.4
617.22333	3.0
629.22534	0.5
643.23926	3.5
644.24664	1.2
645.22137	2.3
657.25653	0.8
660.24066	4.2
675.26563	100.0
676.26685	6.4
690.17236	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4157
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.5
55.05505	3.0
57.03194	0.4
57.03433	3.7
57.07071	34.9
61.02923	13.8
63.16124	0.3
63.43986	0.4
65.03951	0.3
65.96655	0.4
67.05500	9.1
69.00042	0.3
69.03409	1.4
69.06693	0.4
69.07063	6.7
71.08626	30.0
71.50927	0.5
71.51286	0.5
73.02912	4.5
75.04458	1.9
79.05492	1.0
81.03412	0.9
81.07050	13.6
83.08615	11.2
83.10308	0.4
85.02898	18.9
85.10176	17.3
87.04443	0.6
89.06030	0.9
91.03947	13.5
91.05453	0.8
93.07032	0.8
95.08598	22.4
97.02294	0.6
97.02884	8.1
97.10159	5.0
98.98509	0.4
99.04449	1.1
99.11716	0.9
103.07565	0.9
107.08571	0.5
109.02897	0.6
109.10146	9.9
111.11693	1.4
115.03923	1.1
117.09129	0.6
123.11710	4.3
125.13251	1.2
127.03899	6.1
137.13219	1.7
145.04951	7.7
151.14784	0.5
163.06013	11.5
165.16322	0.6
221.22636	1.0
239.23672	23.6
257.24780	3.4
298.27298	0.6
299.82489	0.4
313.27338	100.0
314.27740	1.1
331.28397	37.2
475.32928	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64999	0.1
52.98249	0.1
55.05510	0.3
57.03440	0.2
57.47340	0.1
59.47360	0.1
66.84782	0.1
67.05501	0.7
69.03423	0.3
71.04996	0.2
79.05486	0.6
81.03417	1.1
81.07051	0.6
83.04972	0.2
83.08618	0.2
85.02892	0.3
91.05472	0.5
93.07048	0.6
95.04963	0.6
95.08613	0.3
97.02881	0.4
97.06488	0.2
105.07030	0.4
107.04953	0.4
107.08588	0.3
109.02871	0.2
109.06514	0.1
109.10130	0.3
111.08073	0.2
119.08579	0.3
121.10111	0.2
123.04399	0.2
127.03912	0.4
129.07024	0.2
131.08598	0.3
133.10138	0.2
137.05977	0.3
145.10132	0.2
147.07993	0.2
147.11652	0.2
149.05934	0.2
149.09671	0.3
151.03900	0.4
153.01767	0.8
157.10167	0.2
163.03998	0.2
167.06999	0.2
171.02850	0.5
173.04471	0.2
175.03859	0.4
175.11229	0.2
184.07236	0.2
193.12198	0.8
201.05531	0.2
211.13295	1.1
215.03354	0.2
229.04997	0.2
258.05219	10.2
259.05753	0.3
271.05954	0.9
285.12045	0.2
286.04691	31.9
287.05093	1.0
301.07031	100.0
302.07352	2.2
343.08270	0.2
370.97925	0.1
409.08572	0.2
411.12561	0.3
429.18924	0.2
474.41611	0.2
479.17566	0.2
483.56818	0.1
493.18057	0.2
520.20148	0.3
655.22986	0.2
673.24475	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.35
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.5
55.47846	0.2
59.40188	0.2
67.05482	1.0
69.07033	0.4
69.95264	1.4
75.04113	0.2
77.95379	0.2
79.05466	0.8
81.02299	0.2
81.06580	0.2
81.07035	1.0
86.09689	0.3
91.05465	0.5
93.07040	0.6
95.08577	0.4
98.98454	3.5
105.07030	0.4
107.08581	0.5
109.10076	0.3
115.05476	0.3
118.06558	0.5
121.10125	0.3
124.03911	0.4
124.99992	10.7
136.06139	0.8
143.07285	0.4
144.08087	1.6
144.09050	0.3
146.06018	2.1
162.09152	0.4
164.07051	0.9
172.07559	6.3
178.08620	5.3
190.08611	4.2
190.53514	0.3
196.09673	8.2
204.10178	23.5
205.10498	0.3
206.08269	0.3
207.08879	0.8
215.13719	0.2
222.11227	61.8
223.11577	0.7
240.12300	6.7
258.05258	0.3
302.07776	2.9
320.08896	100.0
321.09183	1.6
479.17404	0.3
636.32477	0.9
654.33942	5.6
672.39886	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.2
55.05486	0.6
57.03426	0.4
64.14316	0.2
67.05501	1.7
69.03404	0.6
69.07061	0.2
70.80902	0.6
71.46000	0.2
79.05456	0.8
79.71618	0.2
79.72118	0.2
81.03425	1.2
81.07019	0.8
83.04955	0.3
83.08622	0.4
85.02885	0.5
91.05457	0.6
93.07034	0.5
95.04943	0.4
95.08575	0.3
97.02869	0.3
97.06485	0.2
105.06994	0.2
107.04923	0.4
107.08566	0.4
109.10123	0.5
111.04412	0.3
117.06989	0.3
119.08592	0.3
121.10110	0.3
135.11725	0.2
137.05942	0.6
145.10107	0.4
147.07967	0.3
147.11697	0.3
149.05934	0.3
153.01805	0.8
161.06029	0.3
163.03909	0.4
163.11174	0.5
171.02856	0.3
189.84697	0.2
209.11867	0.3
211.69003	0.2
227.12639	0.4
229.04939	0.2
258.05240	11.5
259.05743	0.2
271.05939	0.3
286.04709	32.3
287.05304	0.7
301.07053	100.0
302.07428	0.8
341.06781	0.3
357.95959	0.2
367.08133	0.7
429.18536	0.3
465.15576	0.5
509.18079	0.5
671.23004	0.7
672.10535	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.4
55.01863	2.3
57.03428	2.6
61.02924	3.6
62.96979	1.8
67.05499	4.4
68.05032	1.9
69.03427	18.0
70.06589	64.1
73.02905	1.8
79.05486	4.2
81.03421	8.7
81.07031	2.3
84.08124	1.7
85.02898	24.2
87.04490	1.8
91.03969	1.9
91.05487	3.6
93.07016	3.0
95.04971	8.6
97.02883	15.5
98.20730	4.2
99.04449	3.3
103.05465	4.2
105.03410	1.9
105.07030	3.3
106.06528	1.7
107.04961	3.5
109.02860	6.1
109.06531	2.7
114.05529	16.9
115.05439	2.1
116.07080	8.4
117.07071	1.5
118.06529	2.4
121.06509	4.3
121.10121	2.0
123.04443	6.1
125.07108	65.2
126.05508	2.2
127.03888	4.6
130.06511	24.3
131.04939	7.2
131.07306	1.6
132.08121	4.2
133.02861	1.9
135.04398	2.6
137.05963	15.3
139.03918	4.5
143.07310	5.6
144.08069	100.0
146.06087	1.9
151.03929	7.3
153.01839	2.0
153.05467	2.7
154.06551	3.9
155.07159	1.8
156.08087	13.5
158.09650	18.9
159.04393	1.8
161.05936	1.5
163.03928	3.3
164.03368	2.1
165.05481	36.1
165.06889	2.4
167.07286	7.2
167.10690	1.9
168.08076	24.2
169.07582	38.6
170.06047	8.2
170.07964	11.1
170.09618	4.2
171.07631	19.3
171.08981	2.5
172.70235	1.8
177.05501	4.3
180.08107	12.2
182.06050	2.6
182.09669	9.5
183.06648	1.9
184.07568	4.2
189.05521	4.0
191.07072	2.1
192.08075	6.0
194.09654	4.5
196.07646	5.8
197.08484	1.7
198.09029	2.2
204.08128	5.2
205.08932	5.5
206.09645	2.9
208.07585	14.6
208.11269	3.2
209.08110	2.1
210.09158	8.5
212.10490	1.8
217.08870	2.4
218.09634	4.9
219.10419	3.3
220.07573	11.3
220.11195	8.1
221.08324	2.0
222.09227	2.9
224.07098	2.0
229.58623	2.1
230.09604	3.2
232.07733	1.9
232.11237	4.2
234.12794	5.2
237.10265	2.0
238.08527	15.5
240.10240	2.3
244.11304	7.6
248.07018	22.0
248.10704	1.9
249.07803	3.0
250.08678	6.2
252.10336	2.9
252.13838	1.7
254.09584	3.8
260.10883	2.3
262.12286	6.4
264.06546	3.2
264.13834	4.5
265.09818	10.7
266.10059	4.6
270.11374	3.2
272.10654	8.8
276.06665	4.9
277.07318	1.8
278.08273	4.8
280.13391	3.9
280.63202	1.9
285.12354	10.5
288.10156	4.1
290.11713	8.9
293.09357	2.2
294.14908	3.1
297.12219	6.2
300.10187	3.4
302.11551	1.9
308.12741	13.9
311.13922	10.6
317.12772	3.6
318.11142	3.7
321.12415	6.3
322.14429	21.5
332.12759	2.4
335.13928	17.3
336.14319	13.0
337.03632	2.4
338.13928	3.7
340.15405	40.5
346.11115	2.1
349.15619	3.6
363.13318	19.1
364.13690	10.2
367.16614	3.5
378.13586	2.5
390.18335	2.1
391.12839	31.9
422.17020	3.5
423.15424	12.4
440.18573	3.0
443.15814	6.6
460.18890	2.2
461.17120	5.4
475.18573	5.4
478.19910	1.9
492.21323	15.7
493.19586	33.2
502.20834	6.3
503.20291	2.2
510.22485	21.1
511.12454	4.1
526.18671	3.0
529.21771	4.3
655.24799	7.1
672.27753	66.0
673.28870	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	670.4002
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.8
55.05510	25.4
56.28418	0.9
57.03442	6.7
57.07071	20.2
59.53921	1.0
61.02654	1.3
61.02929	17.6
67.05497	12.6
69.03419	3.0
69.07066	41.4
69.94149	2.4
69.94560	3.4
71.04960	1.4
71.08629	14.1
73.02918	6.5
74.77582	1.1
75.04476	2.7
79.05493	8.0
81.03435	2.0
81.07052	17.6
83.04989	1.5
83.08614	35.9
85.02896	21.7
85.06515	1.1
85.10163	5.5
91.03954	19.3
91.05473	2.9
93.07042	13.8
95.04941	1.5
95.08599	12.7
97.02885	10.5
97.06524	8.2
97.09557	2.0
97.10165	36.2
98.20795	1.1
99.11683	1.1
100.72324	1.1
101.06029	1.5
107.04914	1.2
107.08588	10.9
109.02855	1.3
109.10148	6.0
111.08083	3.5
111.11720	11.7
115.07568	2.1
121.10140	17.6
123.11694	7.9
125.09605	3.3
125.13254	3.0
127.03896	7.7
127.11135	1.1
129.09119	1.5
130.32042	0.9
135.11696	13.9
137.13213	4.1
139.11168	2.5
143.10674	1.4
145.04961	8.7
149.13286	8.5
153.12714	1.6
157.12210	1.2
157.16898	1.1
163.06007	15.2
163.14810	3.4
167.14351	2.2
171.13704	1.6
177.16321	1.2
185.15303	1.4
199.16922	1.8
219.21089	21.4
231.82515	1.1
237.22121	38.7
238.22433	2.0
255.23183	35.8
256.23529	1.5
269.74744	1.2
274.01556	1.2
291.19653	1.5
311.25781	100.0
312.26108	3.0
322.07599	1.0
328.70984	1.0
329.10873	1.3
329.26825	36.6
330.27081	1.8
455.29553	1.5
473.31000	12.9
542.12262	1.3
623.04944	1.2
670.28156	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.7
55.01851	0.6
56.05006	1.0
57.03412	1.0
61.02891	1.8
68.05003	1.2
69.03427	5.4
70.06594	6.2
70.97862	1.5
73.02888	1.3
76.81523	0.4
80.04974	0.7
81.03382	1.8
85.02906	8.6
86.06064	4.4
87.04453	1.1
91.03911	0.7
91.05479	0.8
91.07258	0.6
95.04961	0.8
96.08121	3.9
97.02372	0.4
97.02887	4.0
98.09649	0.6
99.04427	1.0
105.07001	1.4
107.04958	0.6
108.34695	0.6
109.02869	1.1
110.06022	0.7
114.05525	9.1
117.07001	1.1
123.04439	0.7
124.03860	0.6
124.07582	0.7
125.10725	0.5
126.05507	3.3
127.03879	1.9
128.06235	0.5
128.07091	4.0
129.06967	1.1
131.08556	1.1
132.08101	2.3
132.72878	0.5
133.06470	1.4
133.08862	0.7
134.09683	0.5
135.04393	0.6
138.05400	0.5
139.03853	1.4
140.07051	1.0
141.06982	0.9
142.07776	0.6
142.08641	6.4
145.04932	0.7
145.06438	2.0
146.09598	0.8
147.07964	0.5
149.02356	0.8
152.07014	0.7
158.09641	0.6
159.08035	1.6
160.07567	5.4
160.11246	0.5
161.05927	0.7
161.08330	1.3
162.09145	1.0
163.03900	3.6
167.03395	0.7
168.27135	0.5
170.09679	1.1
173.05983	1.0
174.09103	1.3
176.07050	1.1
177.07904	0.6
178.04936	0.6
178.08609	3.7
184.07594	0.7
185.06102	0.8
186.09129	1.6
187.03868	1.1
187.07498	1.3
187.09871	0.8
188.10699	2.3
190.08624	1.7
197.05954	0.5
198.09221	0.9
201.05531	0.8
202.08615	3.1
204.10210	1.0
206.08119	31.9
212.07089	1.3
213.07759	2.5
214.08655	3.0
216.10168	1.2
220.09630	1.1
230.08144	5.7
232.09711	4.9
236.09167	3.7
242.08119	1.0
244.09656	1.9
248.09151	2.5
256.09402	0.4
258.07657	3.1
260.09131	3.6
262.10593	0.7
276.08685	8.1
278.10242	1.9
280.08194	1.1
286.07309	0.5
288.08627	7.5
289.89551	0.5
290.10263	1.6
292.12027	0.8
294.09735	1.3
304.08075	0.6
306.09714	65.5
307.09897	0.9
308.11371	3.8
320.11292	11.4
322.09164	0.6
322.12961	1.4
332.07620	1.3
338.12314	7.3
350.08685	23.0
352.13840	3.6
368.09729	3.2
391.42593	0.5
468.15005	0.7
470.16562	1.3
482.17044	2.9
484.18106	1.7
500.17615	100.0
501.17703	1.4
512.13861	1.1
514.19202	12.9
528.17297	1.2
544.16626	23.0
627.24066	5.2
671.22864	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	670.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51830	1.7
55.05492	3.8
55.41536	1.7
57.03443	13.1
59.04995	1.9
67.05492	2.0
69.03433	4.2
71.04990	82.5
73.02557	1.7
73.02918	8.7
73.36105	1.8
75.04468	4.4
75.25964	1.9
79.05450	2.1
79.23432	1.7
79.23969	1.8
80.65285	1.8
83.04980	15.1
85.02900	100.0
91.05451	9.3
95.04963	6.2
99.04452	3.4
103.05459	3.5
105.07019	2.1
107.04911	3.3
109.06495	2.6
111.04449	13.6
113.06002	2.6
117.05520	3.5
117.07065	1.9
119.04921	5.6
121.06517	2.4
122.03608	2.5
123.04362	2.4
128.06235	2.6
129.05479	30.0
129.06978	4.5
131.04910	11.4
131.62384	1.9
133.06458	2.2
135.08069	2.5
137.05965	91.7
143.04958	3.2
145.06490	3.1
146.08112	2.8
147.06522	15.1
149.05998	6.9
151.07545	52.2
153.05476	4.2
157.06483	3.0
161.05962	14.8
163.06143	4.9
163.07526	45.1
163.08835	3.9
164.09222	8.4
167.07126	2.6
167.08594	3.6
171.08064	2.3
174.06757	4.3
175.07541	20.4
177.05438	7.8
177.09091	67.9
177.10669	3.2
183.08002	2.7
185.09679	2.4
189.09047	17.1
191.07011	3.8
193.08618	2.2
195.08139	5.0
195.10170	12.2
199.07533	4.6
203.10667	4.6
205.08682	2.7
207.10135	3.5
209.08334	2.1
219.10150	8.4
220.62871	2.1
221.05994	3.4
221.09663	4.9
221.11751	21.6
223.07622	3.4
224.08170	1.9
225.08994	3.1
227.10690	12.1
229.08714	2.1
239.09135	7.2
249.09044	3.8
249.11298	3.5
253.08562	3.0
253.12268	5.4
255.10248	11.4
257.10004	2.5
261.11313	2.7
265.08594	4.5
267.10211	5.5
269.08115	2.7
275.11142	5.4
279.10104	2.0
283.09619	2.2
285.11197	7.7
287.12762	15.7
291.09851	2.7
293.12161	8.5
297.10925	3.4
299.12762	4.4
301.07028	2.5
305.11572	2.2
306.09125	2.2
311.12827	10.7
313.14429	13.8
323.12759	2.8
331.15417	77.0
335.12595	2.3
337.14377	4.2
343.15417	26.7
349.14355	2.3
355.15530	10.1
357.17014	3.4
365.13693	3.2
367.15396	17.5
369.16940	3.0
385.16510	18.3
397.16418	5.8
405.16672	3.0
423.18134	12.1
441.19061	9.0
459.20023	5.9
477.20804	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	670.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.8
55.01859	1.1
55.05493	2.9
57.03434	9.8
59.80018	0.8
61.02902	1.0
69.03414	4.0
69.80354	4.1
71.01339	1.4
71.04990	67.6
73.02908	4.5
75.04470	4.0
77.77014	0.8
79.05479	2.1
81.03409	0.9
83.04978	11.8
85.02901	83.7
87.04468	2.1
91.05473	6.7
93.07020	1.1
94.04165	1.2
95.04967	6.0
96.65408	0.8
97.06541	1.1
99.04450	4.7
103.03900	1.1
103.05466	4.3
105.07035	2.1
107.04949	2.4
109.02868	1.5
109.06492	2.2
111.04443	9.1
113.06021	1.1
115.05456	2.4
117.05478	2.5
117.06996	3.0
119.04933	6.0
121.06466	2.4
122.03630	3.2
123.08051	1.5
123.95681	1.0
125.05820	0.8
128.06221	0.9
129.04518	1.5
129.05473	27.0
129.06902	4.4
131.04904	8.8
131.08566	1.8
133.06435	1.7
135.08025	2.7
136.05148	1.4
137.05969	100.0
141.07022	1.2
143.04950	2.5
143.08527	1.0
145.06474	2.3
146.03600	1.3
146.08107	3.2
147.04518	1.1
147.06519	11.5
149.05943	5.3
151.03970	1.7
151.07539	44.0
152.07918	1.2
153.05452	4.2
155.08534	1.6
157.05280	1.4
157.06412	5.9
159.04424	1.1
160.05176	1.5
161.05942	12.7
161.09657	1.7
162.06755	1.7
163.06154	2.6
163.07524	33.9
164.09193	8.9
165.05472	1.4
165.06917	1.5
165.09114	4.1
167.07010	1.8
167.08536	2.9
169.06464	1.0
171.06627	1.8
171.08038	4.1
172.75319	0.9
174.06763	2.7
175.06059	1.6
175.07539	22.1
176.08264	1.1
177.05560	6.3
177.09088	47.1
178.07730	0.9
179.07040	3.0
181.06509	1.1
183.08049	2.2
187.07562	3.7
189.05452	1.1
189.09093	16.7
191.07021	5.2
193.08385	1.1
193.10086	1.2
194.07074	1.2
195.08037	5.7
195.10133	13.4
197.09554	1.2
199.07538	3.3
201.09096	4.1
202.07825	1.1
203.06998	4.5
203.08923	1.2
203.10529	5.0
205.08472	1.6
207.08333	1.3
207.10031	4.9
208.76558	1.0
209.07993	1.2
209.09738	1.3
211.07567	2.0
212.08234	1.6
213.09105	1.5
215.06892	1.8
217.08589	3.8
219.10109	7.2
221.05943	2.8
221.07854	1.2
221.09627	2.4
221.11632	13.0
223.07495	4.3
225.09055	3.6
227.10678	10.7
231.08144	1.2
231.10201	2.8
233.09665	1.6
233.11755	1.9
235.09673	1.9
237.09084	3.2
238.06210	1.2
239.09006	4.4
240.07774	1.9
241.08527	2.4
243.10088	1.1
248.08281	1.0
249.09035	3.1
249.11223	3.7
253.08539	5.7
253.12286	5.7
255.10139	12.4
257.09998	3.1
259.09665	1.4
261.11246	3.3
265.08636	3.3
265.11929	1.0
267.10129	3.3
272.10617	1.2
275.11105	3.5
277.08505	2.3
279.10013	1.9
281.11649	3.0
284.10416	1.6
285.11319	7.9
287.12769	16.0
291.09940	2.5
293.12030	8.7
297.11230	2.3
299.12805	6.5
305.11591	2.1
308.10037	1.0
309.11221	3.3
311.12753	11.0
313.14343	14.1
317.11404	2.3
321.11298	2.9
323.12717	2.8
325.14383	1.7
328.13177	1.2
329.14059	1.2
331.15381	59.9
332.15750	1.1
335.12686	3.9
337.14236	3.9
339.15683	1.6
341.13705	2.9
343.15408	27.6
347.12589	1.3
349.14301	2.8
353.13937	1.5
355.15485	10.7
357.16965	3.6
365.13861	1.8
367.15387	20.4
369.16840	1.5
379.15247	3.1
381.16931	1.6
385.16476	17.6
391.15109	1.6
397.16556	5.5
405.16620	1.7
409.16339	1.2
423.18054	13.3
441.19046	10.4
453.19437	1.2
458.05960	1.2
459.19934	5.2
477.21155	2.3
542.17499	1.0
558.50568	1.1
562.21576	1.0
632.83844	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.4415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	7.9
55.01870	4.2
55.05513	20.7
57.03439	10.0
57.07077	47.9
65.03941	2.3
65.39804	1.2
67.05504	37.9
69.03429	24.5
69.07074	16.6
69.28307	10.4
71.04996	8.5
71.08630	34.4
73.02919	1.2
79.05495	22.8
81.03418	100.0
81.07056	51.0
83.01348	1.7
83.04980	14.0
83.08154	2.3
83.08620	28.3
85.02902	15.8
85.06543	2.8
85.10181	17.3
85.72768	1.1
86.09729	2.3
91.05482	26.9
93.07053	16.5
95.04963	17.7
95.08605	38.6
97.02885	27.2
97.06535	5.0
97.10175	9.3
97.38539	1.1
99.04437	6.8
99.08083	1.8
99.11739	1.3
103.05517	1.6
105.07036	22.5
107.04951	7.4
107.08595	7.9
109.02882	19.5
109.06519	4.2
109.10146	14.5
110.03230	1.4
111.04443	10.5
111.08079	7.8
111.11677	1.7
115.05496	1.2
117.06994	5.6
119.04893	2.1
119.08594	15.1
121.06508	4.6
121.10143	7.9
123.04475	2.9
123.08047	2.6
123.11714	9.9
125.00040	2.6
125.09641	1.6
127.03890	16.8
128.06204	1.4
129.05525	3.0
129.06998	10.2
131.04939	1.6
131.08568	8.7
133.06499	2.7
133.10115	8.8
135.11714	2.8
141.07025	1.4
142.07771	1.9
143.08572	2.4
145.06499	2.0
145.10144	4.3
147.08072	1.7
147.11674	19.9
149.09639	4.2
153.12791	2.9
157.06546	1.8
157.10143	9.4
163.11237	5.9
165.12784	6.7
173.04552	1.4
173.06026	1.3
173.09657	2.7
175.11182	9.1
177.42151	1.2
181.12363	2.9
183.06418	1.4
184.07315	6.5
191.10684	4.4
193.12242	32.8
193.13885	2.3
199.04076	1.5
211.13283	53.0
215.14336	1.2
227.12613	6.6
229.14508	2.5
232.09827	1.4
235.13313	1.8
237.78186	1.3
239.23711	9.7
249.14932	2.9
255.13846	2.9
258.40558	1.3
265.14447	1.9
267.15891	15.7
267.18170	1.3
273.14954	3.9
285.17102	2.8
291.15945	1.5
301.14429	3.8
309.16946	1.2
313.27396	34.4
319.15625	2.0
330.07419	3.6
337.16718	6.5
341.26920	2.1
355.17651	10.7
375.17838	1.2
383.28116	4.4
393.19168	2.7
411.20081	14.7
505.38962	5.8
518.19580	1.7
523.39935	11.8
547.40204	2.5
575.23169	7.5
635.25049	2.8
649.42902	3.6
667.44135	96.3
668.44440	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	668.4364
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73926	1.8
53.03929	3.8
55.01868	13.0
55.05274	2.4
55.05513	29.4
56.22812	1.9
57.03428	2.9
57.90036	2.0
63.95078	1.8
65.03935	4.4
65.69612	1.7
67.05504	33.3
69.03419	5.9
69.07072	13.2
71.01363	3.0
71.04987	3.4
77.52885	1.7
79.05491	37.3
81.03428	10.8
81.07055	71.7
82.37803	1.8
83.04990	12.3
83.08623	16.2
85.02924	2.7
91.05477	29.0
93.07050	22.1
95.04970	20.3
95.08596	12.0
97.02886	8.1
97.06528	9.1
97.10159	21.0
98.20731	4.1
103.05463	2.1
105.07040	20.5
107.04953	10.8
107.08596	17.3
109.06518	13.8
109.10142	12.2
111.04450	8.7
111.08080	5.7
117.07010	14.6
119.04886	2.1
119.08584	29.7
121.06496	8.6
121.10157	13.8
123.08076	13.4
123.11668	2.9
125.09624	17.8
129.06989	6.5
131.08569	11.5
133.06493	3.9
133.10132	9.0
135.08060	12.6
135.11702	7.1
137.09618	15.7
138.10390	2.4
139.11142	3.2
141.07063	2.0
143.08565	6.0
145.06477	5.0
145.10150	14.8
147.08043	14.1
147.11678	3.7
149.09654	9.6
149.13252	2.3
151.07465	2.2
153.09091	16.0
153.12706	4.4
155.08519	3.3
157.10130	6.5
159.07994	2.5
159.11751	4.1
161.09595	9.4
163.11177	16.1
165.09088	11.4
171.10208	2.6
171.11728	5.8
172.07603	5.9
173.09645	7.4
175.11186	3.9
177.12775	2.2
178.08624	5.5
181.12213	8.3
185.13335	2.5
187.11211	2.5
189.11259	16.7
189.12807	3.5
191.10611	6.9
193.12225	13.1
199.11201	2.5
201.12900	2.7
202.11641	2.2
204.10199	13.9
222.11281	4.5
223.13263	5.7
227.12782	7.0
236.12805	12.8
237.16248	2.3
245.18982	4.3
249.14952	3.2
254.13861	21.5
255.17519	6.0
273.18478	45.4
289.18039	8.3
291.19556	100.0
307.19302	2.1
309.20602	8.6
334.10425	14.4
478.00131	2.2
615.38916	2.6
650.33398	2.4
668.36060	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	665.4254
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10223	1.2
53.03944	8.5
55.01873	4.9
55.05512	14.6
56.60655	1.2
57.03431	2.7
57.07075	38.5
59.04998	1.1
65.03928	1.6
67.05505	25.7
69.03439	14.7
69.07068	9.9
70.97433	1.8
70.97771	1.6
71.01363	1.5
71.04997	7.8
71.08635	28.5
79.05486	11.1
81.03416	70.3
81.07053	29.0
83.01324	2.1
83.04987	11.2
83.08620	16.3
85.02901	4.8
85.06525	1.6
85.10188	17.3
91.05486	8.5
93.07044	18.7
95.04984	6.7
95.08603	26.6
97.02892	15.3
97.06542	3.9
97.10188	6.5
99.04469	5.9
105.07028	6.8
107.04958	6.4
107.08591	9.4
109.02886	14.6
109.06527	2.8
109.10154	13.6
111.04448	8.8
111.08089	1.9
117.07013	5.5
119.08601	5.1
121.06545	1.5
121.10141	8.0
123.08071	3.8
123.11738	4.2
125.05947	1.5
125.09716	2.0
125.13326	1.4
127.03904	14.1
129.07008	1.9
131.08603	1.8
133.10136	2.6
135.08093	2.1
135.11668	8.7
137.13246	1.3
145.10118	6.5
147.11746	1.5
149.05974	1.4
149.09612	1.6
153.12756	9.8
159.11693	1.3
163.11183	16.9
163.79752	1.0
173.09686	2.3
181.12262	7.2
184.34885	1.1
191.10735	5.8
209.11748	7.4
223.13332	1.5
227.12773	13.9
239.23677	7.5
263.12997	1.5
270.06439	1.3
283.15625	1.2
301.59549	1.2
313.27338	3.0
335.15039	3.5
353.15955	21.5
354.16245	1.3
383.27890	2.3
409.18655	2.8
493.39026	3.8
521.38409	2.5
524.40216	1.6
591.37848	1.3
665.42535	100.0
666.43170	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	665.353
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.3
55.01873	6.4
55.05503	13.0
57.03426	3.1
57.07065	9.4
57.83548	2.6
58.19625	2.7
67.05509	31.7
69.03425	8.2
69.07060	14.0
71.05001	3.7
71.08649	5.6
71.51122	3.6
71.51565	3.4
78.48062	2.9
79.05494	21.2
81.03415	14.5
81.07055	24.4
83.04964	5.4
83.08603	6.6
85.02900	5.7
85.06548	4.0
91.05487	23.8
92.35978	2.9
93.07062	20.8
95.04964	42.7
95.08607	21.4
97.02895	5.0
97.06542	4.0
97.10172	3.9
105.07030	14.9
107.04959	6.1
107.08609	13.4
109.02885	6.4
109.06525	3.8
109.10129	9.9
111.04449	3.8
112.70864	2.8
117.07008	8.3
119.04887	8.4
119.08575	11.8
121.06494	3.8
121.10148	15.5
123.04449	18.0
123.11684	3.2
127.03871	5.0
129.07031	4.5
131.08531	11.0
133.10129	11.6
135.11671	10.6
141.47710	2.9
145.06526	3.5
145.10110	8.8
147.04378	6.9
147.11690	5.6
149.13324	4.3
151.03893	87.2
154.82143	3.1
157.10164	5.0
159.08170	3.4
159.11665	7.7
163.11179	3.9
165.05473	100.0
166.43320	3.3
168.97446	2.8
171.11615	4.1
183.06523	5.3
185.13278	3.8
187.14862	3.0
193.04939	18.7
197.06541	3.0
197.60806	3.1
211.06052	8.3
220.33983	2.7
225.07576	25.9
243.08752	4.8
261.22238	7.1
313.27527	4.5
369.24246	8.1
387.25198	11.5
405.26245	4.4
446.57367	3.1
486.30609	3.9
665.41992	14.8
683.21552	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	665.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	0.2
67.01862	0.4
67.05496	0.2
68.99470	0.1
68.99763	0.4
69.03419	0.1
69.07059	0.1
69.36282	0.5
72.46713	0.1
79.05492	0.3
81.03409	0.3
81.07039	0.3
83.08595	0.1
91.05481	0.6
93.07041	0.3
95.04925	0.1
95.08585	0.1
97.02882	0.1
98.98492	0.1
105.07020	0.2
107.08572	0.1
109.02843	0.1
109.06520	0.1
109.10148	0.1
111.00832	0.1
117.06968	0.1
119.04933	1.7
119.08607	0.1
121.02858	0.6
121.10117	0.2
123.08051	0.1
124.99950	0.3
126.01733	0.1
127.03873	0.1
129.01817	0.2
131.08562	0.1
133.10098	0.1
135.11743	0.1
142.96533	0.1
144.08063	0.1
145.02829	0.8
145.10065	0.1
146.05992	0.1
147.11711	0.1
153.01820	4.2
153.39000	0.1
158.68250	0.1
159.11629	0.1
163.03871	0.5
164.07144	0.1
169.06476	0.1
171.02885	1.0
172.07571	0.2
178.08682	0.1
187.03906	0.1
197.05983	0.1
200.07155	0.1
202.06290	0.1
203.07027	0.2
204.10191	0.7
204.68956	0.0
206.08214	0.1
225.05405	0.4
229.05013	0.3
232.09651	0.5
243.06480	0.3
247.06006	0.2
250.10803	0.1
253.04964	0.1
271.05994	100.0
272.06326	3.1
307.47644	0.1
330.07318	1.6
331.87442	0.1
339.29022	0.1
452.39182	0.1
554.14178	0.1
648.61530	0.1
665.28998	0.3
665.41901	0.1
674.33398	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	665.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.6
55.05510	1.5
55.66976	0.5
57.03424	1.2
65.03936	0.6
67.05496	1.2
69.03433	4.9
69.86173	2.7
69.86571	1.1
70.99266	0.5
79.05489	6.0
81.03422	6.2
81.07041	1.4
83.04970	1.5
85.02897	3.1
87.84547	0.5
89.03912	4.1
91.05476	6.4
93.07047	28.2
95.04962	2.5
95.08602	1.0
97.02878	3.2
99.04473	1.1
103.05498	1.8
105.07040	6.0
107.04945	2.5
107.08608	5.1
109.02858	3.2
109.06520	0.6
109.10144	0.9
111.04447	2.0
111.08076	1.2
115.05386	0.5
116.88246	0.6
117.03371	6.4
117.07024	0.8
119.08582	13.5
119.09383	1.0
121.06513	5.8
121.10146	44.0
123.04480	2.6
123.08072	2.8
127.03916	1.9
129.05443	1.0
129.06975	1.0
131.04929	0.8
131.08533	2.8
133.07642	0.5
135.04411	14.2
135.08035	2.2
137.02335	1.0
137.05992	1.4
137.09613	0.7
137.47981	0.6
139.11127	0.6
140.96710	0.6
141.07010	0.6
145.02852	11.0
145.06491	0.9
145.10130	1.2
147.04385	1.5
147.08046	1.2
149.06023	0.8
149.08421	1.1
149.09627	23.1
150.10014	0.7
155.08588	1.2
157.06502	1.4
161.06021	1.5
163.03908	100.0
163.07489	3.7
164.04323	0.8
165.05515	0.7
167.10664	5.4
169.06421	0.7
173.05905	1.3
173.09625	2.3
175.03906	12.2
175.07542	2.3
177.05479	1.0
181.10144	1.2
183.08064	1.0
187.07523	2.4
189.05438	1.6
191.06944	0.5
195.08090	0.8
197.05991	0.9
199.07588	0.9
201.09097	2.2
202.09944	2.6
209.09662	1.7
211.07587	1.3
213.05525	1.1
213.09108	0.8
215.07076	2.0
219.11671	0.7
225.09018	0.6
227.07109	1.5
227.10669	3.5
229.08569	1.8
237.12816	0.6
241.08545	1.3
241.12369	1.0
247.11243	1.7
250.09860	0.7
253.08717	0.7
255.10187	1.8
255.13855	2.6
265.12222	2.8
269.11780	1.1
275.10703	1.2
283.13257	11.7
293.11203	1.3
293.13849	3.5
301.14291	1.0
311.12430	11.2
329.13748	1.9
337.09207	1.1
355.10260	0.8
376.09717	0.6
394.68039	0.6
437.16302	1.0
445.18549	2.4
455.16849	2.0
473.18069	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	663.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49333	4.0
53.03929	5.0
55.01866	8.8
55.05496	16.1
57.03419	8.0
66.92433	3.8
67.05504	43.6
69.03418	5.0
69.07056	15.8
69.72075	25.6
71.05017	4.5
75.33711	3.9
79.05489	57.5
81.03400	12.7
81.07051	92.4
82.54272	3.6
83.04980	9.8
83.08603	9.7
87.40851	3.6
90.70299	3.5
91.05486	30.8
93.07052	37.3
95.04961	31.7
95.08603	17.0
97.06557	10.0
97.10153	10.0
105.07017	28.1
107.04928	17.1
107.08591	25.5
109.06516	24.2
109.10144	14.4
117.06995	17.3
119.08578	26.2
121.06503	12.8
121.10127	19.3
123.08074	30.3
125.09594	5.8
129.06995	7.9
131.08560	15.5
133.06425	9.2
133.10127	12.0
135.04379	6.5
135.08022	7.3
135.11722	9.5
141.07011	6.3
143.08530	7.2
145.10118	11.8
147.08018	11.8
147.11646	4.2
149.02370	5.1
149.09625	16.0
150.10435	5.1
157.10164	5.3
159.04413	7.8
159.11687	8.5
161.02359	5.5
161.09584	10.2
163.03874	35.8
163.11177	14.0
165.05505	5.9
171.11623	9.3
173.02307	21.1
173.05832	5.3
173.09669	7.5
175.11044	5.0
183.04482	4.6
184.07347	7.7
187.03880	11.0
191.10664	4.8
193.12172	7.0
199.03903	19.3
213.05431	17.3
245.18823	4.6
249.14966	4.3
267.10089	4.4
273.18442	35.7
274.19162	9.9
283.13406	5.9
286.89606	4.2
291.19534	100.0
292.20322	19.1
293.21130	4.0
311.12851	5.9
315.12167	13.1
353.13391	5.4
417.20496	19.0
435.21735	46.4
453.22821	20.1
561.21838	4.5
621.23651	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	663.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80124	3.0
55.01858	6.5
55.05496	12.8
57.03428	3.1
63.48866	2.8
65.03905	3.0
67.05502	32.6
69.03422	4.7
69.07049	9.4
70.56077	7.2
70.56432	6.2
71.04958	3.6
71.16880	2.8
79.05490	33.6
81.03397	12.0
81.07053	61.0
83.04955	6.8
83.08614	5.8
86.09677	4.3
91.05479	28.4
93.07056	24.0
95.04958	21.7
95.08620	16.6
97.02843	4.0
97.06504	8.0
97.10166	4.8
99.04392	2.9
103.05435	3.7
105.07027	19.3
107.04931	10.8
107.08593	17.4
108.40755	3.0
109.06512	15.2
109.10169	7.3
111.08067	4.6
116.81551	3.2
117.07008	11.8
119.08571	26.0
121.06457	7.6
121.10120	9.5
123.08047	17.1
123.11732	3.9
125.09676	4.0
129.06999	7.4
131.08534	14.2
133.06465	3.3
133.10114	7.3
135.04402	9.6
135.08015	8.7
135.11674	7.1
143.08524	4.5
145.02843	3.8
145.10114	9.2
147.04433	3.4
147.08035	10.7
147.11694	4.6
149.09607	8.9
157.10132	6.1
159.04417	6.3
159.11566	4.7
161.02435	3.9
161.09596	6.6
163.03911	40.2
163.11186	9.7
164.04126	5.3
173.02330	13.2
173.05888	4.6
173.09644	5.4
175.11205	3.4
187.03914	8.4
199.03923	7.2
213.05458	11.6
216.50868	3.1
227.17987	3.7
245.18997	5.3
255.17641	8.8
273.18521	21.5
291.19540	100.0
292.20032	11.7
311.12582	7.1
315.12225	4.4
325.14407	4.1
353.14246	3.6
407.54648	3.4
417.20557	7.2
435.21725	34.8
453.22781	19.0
459.38568	4.1
465.28476	4.2
466.28763	9.1
501.26654	3.4
663.30981	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	663.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48179	3.1
52.74908	3.5
53.85945	3.3
54.62535	3.3
55.05497	13.5
57.03440	3.7
57.33978	3.7
59.35635	3.1
67.05505	21.3
69.07066	9.0
70.64754	10.6
74.98927	4.2
79.05486	25.3
81.03400	10.6
81.07051	51.8
82.07365	3.5
85.02840	3.7
86.55753	3.4
91.05484	23.3
93.07048	21.5
95.04961	18.0
95.08603	7.1
97.06535	6.3
97.10134	5.5
97.93188	3.7
105.07002	14.2
107.04948	10.2
107.08584	12.3
109.06496	10.0
109.10149	4.2
111.08023	3.8
117.06975	13.2
119.04977	3.1
119.08575	26.5
121.06480	10.0
121.10126	8.5
123.08033	11.4
125.09602	5.7
129.06987	5.7
131.08578	7.6
133.06445	4.2
133.10077	6.0
134.41121	4.4
135.04367	4.1
135.07988	6.6
135.11624	4.2
143.08578	4.5
145.10080	11.3
147.07996	11.1
149.09529	4.9
157.10115	6.2
159.07925	4.5
159.11644	5.4
161.09511	6.3
163.03893	15.2
163.11159	7.0
167.07004	3.7
173.02400	7.6
173.09445	4.1
175.11284	3.6
178.09767	3.3
187.03966	4.5
187.70096	3.6
199.03935	7.9
213.05406	4.9
223.13368	3.8
228.14322	4.0
249.14786	4.4
273.18582	20.1
274.19077	4.7
276.61041	3.6
291.19540	100.0
292.20132	9.8
311.12582	5.1
435.21606	17.9
453.22522	9.4
466.28500	8.1
645.34265	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	662.4023
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24971	0.6
52.44075	0.5
53.03935	0.6
55.01869	2.3
55.05502	6.1
57.03434	1.2
57.07073	14.8
65.15417	0.5
66.16360	0.5
67.05505	8.8
68.77504	0.6
69.07079	3.3
70.48285	1.0
71.05000	1.3
71.08632	11.7
79.05490	6.4
81.03413	3.5
81.07051	13.5
83.01341	2.5
83.04967	2.6
83.08618	6.7
85.10189	6.0
87.04455	2.6
89.53999	0.6
91.05470	4.5
91.63593	0.6
91.64159	0.6
93.07038	7.4
95.04964	1.9
95.08601	9.8
97.02879	0.9
97.06549	1.6
97.10165	2.4
98.98473	1.0
99.04487	0.6
105.07038	2.5
106.22015	0.5
107.04957	2.5
107.08583	3.4
109.06524	2.5
109.10160	5.2
111.04451	0.8
111.08128	0.8
117.07024	2.4
119.08570	2.5
121.06519	1.6
121.10181	2.8
123.08064	2.7
123.11714	1.3
125.05957	0.6
131.08562	1.2
133.10146	1.2
135.08057	1.2
135.11673	3.3
137.13225	0.6
145.10112	3.9
147.08083	0.9
149.09624	0.6
163.11194	6.4
173.09586	0.8
181.12250	1.2
184.07347	1.9
209.11713	2.5
227.12744	1.2
234.14961	1.3
239.23708	2.0
252.15929	2.6
282.28000	2.5
283.15387	2.0
301.69440	0.6
313.27466	2.3
388.15091	0.7
406.16400	1.5
521.38367	100.0
522.38892	4.6
615.45020	0.6
644.38818	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.3746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.1
55.01866	3.8
55.05512	18.3
57.03437	20.0
61.02926	3.8
65.03937	3.1
67.05502	47.2
69.03432	6.3
69.07069	13.4
71.01349	4.4
71.04993	6.8
71.51162	1.5
79.05491	49.5
79.78641	1.3
80.05795	1.8
81.02930	2.9
81.03414	60.1
81.06590	2.3
81.07053	31.8
81.31557	1.2
83.04988	19.4
83.08620	19.0
85.02898	16.0
85.06553	4.4
86.09688	6.7
91.05482	31.7
93.07039	47.9
95.04965	27.8
95.08604	12.5
97.02901	4.4
97.06527	18.1
97.10169	12.5
98.06906	1.4
99.08084	2.7
105.07028	22.1
107.04958	7.9
107.08583	29.5
109.02892	2.3
109.06520	5.7
109.10159	5.4
111.04426	2.9
111.08054	9.4
113.06025	1.2
113.38566	1.4
117.06998	4.1
119.04957	1.2
119.08584	20.4
121.06506	3.3
121.10146	12.8
123.08076	1.9
125.00014	3.9
125.09630	3.1
127.03886	1.9
129.06985	11.4
131.08583	10.3
133.06487	3.0
133.10144	13.8
135.04411	1.9
135.08038	2.0
135.11687	39.2
137.09595	2.5
142.07843	2.0
145.06465	1.6
145.10095	9.1
147.04411	4.7
147.06821	1.3
147.08026	3.7
147.11671	10.6
149.09636	4.7
151.03934	1.3
157.10129	12.7
161.05963	2.3
163.03952	6.4
163.11156	7.0
165.05484	2.2
165.12752	3.4
171.26102	1.5
173.05902	1.2
175.11189	12.1
177.05554	1.6
181.12239	9.3
184.07333	13.2
189.35228	1.4
193.12234	35.3
195.07996	1.4
197.06003	1.4
199.07629	1.9
211.13272	44.7
225.09030	1.3
227.07086	2.3
241.08701	2.0
255.15910	77.4
256.16211	1.7
267.15884	24.4
283.10126	1.3
285.16937	30.2
407.22318	2.0
410.20273	2.2
429.25601	1.5
434.20667	2.7
435.21667	4.0
444.20929	1.6
447.27414	60.6
448.27484	1.8
451.20886	1.6
452.21619	7.5
453.22720	3.7
465.28485	100.0
466.28845	4.4
469.22537	1.9
470.22446	3.8
498.18326	2.3
499.18738	1.9
620.24768	1.5
626.26355	1.4
630.22571	5.9
662.25739	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	662.3377
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07543	1.0
53.03939	2.5
54.46257	1.0
54.56179	1.0
55.01875	6.0
55.05511	13.5
55.70451	1.0
57.03436	12.4
59.04979	1.6
61.02915	3.9
65.03946	2.4
67.05505	19.4
69.03425	4.5
69.07065	8.5
70.06588	2.4
71.04970	3.1
71.51116	1.5
72.08133	1.3
73.02932	1.7
79.05491	31.6
81.03418	45.2
81.07056	21.3
83.01333	4.9
83.04980	13.7
83.08608	15.1
84.08145	1.6
85.02899	17.9
86.09701	3.4
86.37097	1.1
91.03941	2.5
91.05479	57.4
93.06485	2.0
93.07043	28.3
95.04960	18.0
95.08607	11.1
97.02890	4.7
97.06530	3.7
97.10184	2.6
99.04427	2.5
102.51204	1.2
103.05482	2.0
104.38017	1.3
105.07024	12.8
107.04951	10.1
107.08595	16.9
109.06509	5.5
109.10136	5.5
111.04436	2.6
111.08076	4.8
115.05424	4.7
117.07010	23.5
119.08580	34.3
121.02882	1.1
121.06491	3.3
121.10156	6.8
123.08079	6.2
124.99986	2.1
125.05988	2.0
125.09640	7.7
127.03872	1.4
129.07036	5.5
131.08562	5.1
133.06500	3.2
133.10136	6.0
135.04485	1.3
135.08055	25.1
135.11716	3.2
137.05974	2.5
137.09604	13.6
142.07764	2.1
145.06480	1.6
145.10153	5.4
147.08066	4.0
147.11696	6.5
149.05928	1.8
149.09596	2.8
153.01845	1.4
153.09058	2.1
153.12788	1.7
157.10172	6.2
159.07948	1.4
161.05997	4.9
163.03874	2.5
163.07562	4.3
163.11160	7.3
165.05435	2.1
165.09108	9.5
167.07080	3.9
168.07338	1.3
169.83878	1.1
173.05968	19.3
175.11176	5.8
177.05444	2.0
181.04962	4.6
181.06458	2.3
181.08585	1.9
182.05394	1.3
183.10135	4.0
184.07301	7.5
185.06061	1.3
187.07574	2.7
189.05435	2.3
191.10622	1.4
191.83014	1.1
193.12247	21.9
197.05939	1.2
199.07529	3.6
199.09532	1.4
201.05450	3.6
201.09038	1.6
209.08131	1.7
209.11760	1.6
211.07562	1.8
211.13278	41.6
213.05402	1.6
213.09183	1.4
215.07088	1.6
217.04947	53.0
219.11780	1.1
227.07021	1.7
233.08002	1.6
239.12685	3.2
255.06584	1.6
255.12254	29.7
257.13782	13.7
263.10843	1.3
267.06332	1.2
267.15912	9.3
275.10721	1.5
283.12488	1.6
283.15411	25.6
283.41385	1.2
284.16046	1.2
285.16946	27.7
285.19882	2.3
287.05371	5.8
288.05811	4.5
297.11426	1.3
307.05606	1.2
311.12683	6.1
324.06055	1.3
325.14502	1.7
329.13821	41.0
333.11044	1.4
355.19086	3.2
371.14624	1.6
374.13986	1.7
383.22101	1.3
385.12650	2.5
386.12875	2.3
407.22430	2.3
420.25684	1.7
425.23331	1.7
429.22531	4.6
435.21738	7.9
447.23764	17.3
453.22787	15.3
465.24820	100.0
466.25156	4.8
470.22516	1.8
471.23688	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	662.3165
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.9
55.05504	6.8
58.23501	1.5
58.66353	1.6
67.05515	8.2
69.03443	1.9
69.07059	5.3
69.88992	1.4
71.51183	2.3
72.92278	1.4
79.05493	11.3
81.03394	1.7
81.07061	15.0
83.04980	3.5
83.08604	2.1
86.09708	2.7
86.45841	1.5
91.05470	13.3
93.07053	10.6
95.04953	4.2
95.08595	8.5
95.10010	1.4
97.06521	2.7
105.07031	8.8
107.04927	3.7
107.08587	6.2
109.06535	4.9
109.10152	3.1
111.08110	1.7
115.05423	1.8
117.06996	5.8
119.08583	8.1
120.29150	1.6
121.06480	3.3
121.10159	2.9
123.08091	2.0
129.07005	5.7
131.08598	10.7
133.02875	2.1
133.06514	3.5
133.10138	8.6
135.08063	2.2
135.11693	3.7
137.09570	2.1
143.08545	4.8
145.02824	2.0
145.10159	10.5
146.10880	4.2
147.08031	4.1
149.09651	4.0
155.08496	1.7
157.10106	3.0
159.04489	1.8
159.11713	4.1
161.02390	2.8
161.09583	3.5
163.03929	10.3
163.11185	5.5
167.08472	1.9
171.11691	3.0
173.02348	6.9
173.05994	2.3
184.07254	2.2
185.13229	2.9
187.03918	5.2
188.32391	1.5
189.12729	1.8
195.08130	1.8
199.04018	3.2
211.07433	2.0
225.05426	4.2
227.95526	1.7
237.05418	3.5
251.07007	4.2
265.08594	2.5
273.18530	3.0
274.19073	2.9
349.14209	3.5
350.17175	2.1
367.15427	4.5
379.15353	7.0
389.21201	2.0
391.23044	3.4
407.22009	2.9
417.20609	20.1
418.20926	1.9
435.21661	100.0
436.21976	3.2
453.22656	5.6
470.43912	1.9
604.24402	2.1
609.26929	5.2
627.27875	16.3
639.16351	1.9
662.15448	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3942
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59871	2.4
53.03934	9.1
53.58899	2.6
55.01855	10.1
55.05512	30.5
57.03436	14.5
59.52277	2.2
60.51992	2.7
65.03935	4.8
67.05502	72.3
69.03433	37.0
69.07058	20.3
70.71612	2.5
71.04981	13.4
71.51980	2.6
75.04482	2.9
79.05495	85.1
81.03419	100.0
81.06599	4.1
81.07053	75.9
83.04974	22.7
83.08621	24.6
85.02901	19.9
85.06533	6.4
86.48451	2.9
91.05479	71.9
92.32709	2.9
93.07038	79.3
95.04967	32.6
95.08600	45.6
97.02904	21.3
97.06510	10.6
97.10167	9.0
98.21529	6.9
99.04431	7.7
99.08067	3.6
103.05459	4.0
105.04523	3.3
105.07031	46.1
107.04939	13.1
107.08588	31.2
107.40211	2.6
109.02880	17.9
109.06509	9.1
109.10144	15.8
111.04430	12.2
111.08037	9.0
113.06046	3.7
115.05465	4.0
117.07040	21.8
119.08578	42.2
121.06500	8.6
121.10143	40.4
123.04426	5.2
123.08061	8.1
123.11689	5.9
125.09639	5.4
127.03888	9.5
128.06226	7.2
128.33635	2.8
129.05515	3.0
129.06969	17.1
131.04965	2.8
131.08548	32.1
133.06497	7.3
133.10146	30.4
135.08047	7.4
135.11676	15.8
137.05943	3.2
137.09578	7.4
139.11157	2.4
141.06969	6.8
142.07773	5.1
143.08553	10.8
145.06480	5.4
145.10129	23.7
147.08044	7.4
147.11685	29.1
149.09610	12.1
149.13165	3.1
153.06828	2.6
155.08510	8.9
157.06476	3.4
157.10117	20.0
159.11722	15.0
161.09610	6.4
161.13263	4.0
163.11157	8.1
165.12766	7.2
167.08611	4.2
169.10085	8.2
171.11664	9.7
173.09607	3.8
173.13266	10.1
175.11198	14.9
175.14702	3.1
181.10068	4.4
181.12251	6.4
183.11668	6.0
184.07288	5.4
185.13266	8.2
187.14792	4.3
189.12665	4.0
191.10698	3.7
193.12224	41.0
195.11671	3.1
197.13339	4.4
199.14726	5.2
207.11972	2.9
209.13243	4.3
211.11403	2.6
211.13260	68.1
215.17896	7.4
217.19504	3.2
221.13240	5.4
225.12695	4.0
227.12714	6.1
231.17439	4.4
233.18883	2.8
243.17444	3.1
267.15906	10.9
273.14862	2.8
273.18326	2.7
285.16986	11.7
291.19839	2.9
307.22641	13.9
313.21628	4.4
323.19977	4.9
325.21805	2.9
341.21091	8.8
341.48282	3.0
355.17371	8.0
359.22101	5.8
393.18781	3.0
411.19992	8.4
415.24835	4.3
433.25464	3.9
499.34460	17.4
517.35272	4.5
563.39471	3.2
587.35297	3.0
607.36743	4.7
625.37225	8.6
643.37836	7.4
661.39368	75.2
662.39252	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	660.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77015	0.3
53.03936	1.4
55.01870	5.0
55.05268	0.5
55.05510	5.8
56.05032	0.6
56.80334	0.4
57.03197	0.5
57.03438	6.1
57.07083	0.5
58.06608	0.5
59.04993	0.6
60.08162	5.9
61.02925	3.4
65.03929	0.5
67.05503	7.7
69.03439	1.9
69.07072	2.2
71.01340	0.6
71.04998	2.0
71.07026	0.5
71.07374	3.8
71.51288	0.4
71.51673	0.4
73.02908	0.5
79.05494	16.8
80.05819	0.5
81.03416	6.5
81.06587	0.6
81.07051	7.2
83.01340	5.8
83.04970	4.0
83.05424	0.6
83.08619	4.0
85.02900	4.0
85.06522	0.5
86.09704	31.8
86.99610	0.3
87.10029	0.5
91.03951	1.4
91.05480	21.9
93.07043	13.4
95.04976	3.5
95.08601	2.8
96.05296	0.5
97.02889	3.0
97.03416	0.4
97.06530	4.5
97.10141	0.8
98.98462	2.7
99.04441	1.4
103.05457	0.9
104.10743	2.9
105.07026	4.0
107.04950	5.1
107.08591	12.3
109.02872	0.5
109.06519	3.1
109.10155	1.0
111.04439	1.9
111.08088	0.5
115.05426	2.1
117.07016	17.1
119.08586	4.3
121.06509	1.6
121.10139	2.6
123.04478	0.4
123.08055	3.2
125.00001	21.1
125.06006	0.5
125.09631	0.6
129.06952	0.7
131.04938	0.5
131.08560	1.0
133.06514	0.4
133.10112	0.9
135.04442	0.8
135.08054	19.0
135.11681	4.2
137.05969	0.5
137.09599	1.1
143.08554	0.4
145.05032	0.5
145.06424	0.5
145.10133	5.6
147.11719	0.5
149.09686	0.5
153.01807	2.7
153.09093	1.2
153.12770	0.4
154.02147	0.6
155.08585	0.6
163.03943	0.4
163.07533	3.4
163.09851	0.7
163.11180	9.4
165.05533	0.7
167.07092	0.6
173.06003	0.5
173.09613	1.2
181.08597	1.3
181.12212	1.6
184.07339	100.0
185.07721	0.8
191.10692	1.0
199.09656	1.6
199.89694	0.4
209.11719	2.8
227.12785	1.9
229.04872	0.9
234.96939	0.4
237.11235	0.4
252.10660	0.4
255.12273	37.4
256.12457	0.7
257.04367	3.2
258.04874	2.8
259.05508	1.0
271.06012	1.8
272.06308	1.2
283.15396	51.6
284.15741	1.5
286.04608	1.5
287.05444	6.5
288.05811	5.2
298.04236	0.7
311.05457	1.1
312.05856	1.1
324.05835	0.5
325.06973	0.4
427.08380	0.6
433.19934	0.7
436.14676	1.5
443.20578	0.8
445.22375	0.9
451.21106	1.5
452.18118	1.1
463.23260	41.3
464.23685	1.6
479.17038	3.1
480.17374	16.5
481.17563	1.3
497.18054	6.6
498.18393	28.4
499.18826	1.8
654.40778	0.5
660.24921	0.5
660.35071	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	660.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	1.1
53.03938	4.2
55.01875	1.3
55.05496	0.9
57.03426	2.6
57.96375	0.8
60.53889	0.8
61.02915	2.7
63.10481	0.8
64.32383	0.9
67.05504	4.6
69.03431	9.6
70.06593	1.7
71.04980	2.0
71.51402	1.0
73.02910	1.3
79.05486	8.0
80.04996	1.5
81.03413	12.6
81.07041	1.9
84.08139	1.1
85.02903	17.1
86.09700	1.3
87.04461	1.5
91.03957	1.4
91.05463	3.1
93.07036	1.7
93.34123	0.9
94.06512	2.1
95.04971	14.7
95.13096	0.9
96.08131	2.0
97.02298	1.9
97.02888	21.2
98.03204	1.0
99.04443	3.3
103.05437	1.5
105.03376	1.3
105.07042	1.8
106.06555	0.9
107.04965	8.4
108.08118	9.9
109.02883	5.7
109.06508	2.0
111.04423	1.2
117.06980	1.6
118.06549	1.1
119.04965	1.2
119.08580	1.2
119.10010	0.9
122.09694	4.8
123.04437	5.9
124.07543	1.8
126.09120	1.7
127.03905	6.5
131.04927	2.1
132.08165	1.2
133.02823	2.1
133.06483	1.9
134.09639	1.2
135.04410	9.8
135.06763	1.4
136.07588	13.4
137.06010	2.9
138.05481	6.8
139.03867	2.5
140.07062	1.8
146.09621	1.9
148.07573	2.6
149.08400	1.4
150.05432	1.7
150.09137	6.0
151.03885	8.3
152.07033	7.9
153.07841	2.1
154.08630	6.2
158.09636	1.5
160.03954	1.5
160.07516	2.2
160.11185	1.9
161.06001	1.4
161.08383	1.5
162.09140	3.1
163.07527	5.5
164.07068	13.4
165.05469	54.7
166.08659	6.7
167.07043	3.6
168.27048	1.0
172.07529	2.4
174.09137	3.1
176.07091	2.1
178.04950	1.7
178.08621	2.8
179.06972	1.5
186.09128	1.4
188.07074	4.9
188.10599	2.0
189.07855	1.9
190.08585	7.1
192.10168	2.1
193.08824	0.9
200.10741	1.3
202.08652	3.8
204.10130	2.1
206.11694	1.2
212.10788	1.4
214.08656	1.1
214.12234	1.1
216.06650	1.2
216.10187	2.9
217.07372	2.1
218.08055	3.1
218.11755	1.3
220.09674	1.3
221.39299	0.9
228.10115	1.2
230.08098	2.7
230.11827	1.1
232.09711	2.9
234.07657	4.3
234.11183	1.0
236.09206	1.3
240.10112	2.2
244.09691	3.0
244.13348	1.3
246.07555	3.0
248.09146	1.9
258.11185	3.0
260.09134	2.1
260.12631	1.1
262.10748	5.0
264.08713	5.0
265.09418	2.2
266.10205	2.7
270.11215	1.4
277.91718	1.1
278.10397	1.4
280.11789	10.3
286.10693	1.8
298.12991	2.1
304.11795	6.1
312.08401	1.5
316.11722	2.6
318.13379	2.3
336.14371	9.1
342.09775	2.0
344.11267	1.3
348.14505	4.1
360.10690	9.4
378.11795	1.7
392.13394	10.1
402.15854	1.2
410.14432	1.4
412.13882	5.3
414.15219	3.2
426.15448	1.6
430.15039	9.2
434.17578	1.1
444.16571	7.2
448.15762	2.0
462.17593	37.7
480.18417	7.6
498.19595	11.1
576.20850	10.5
577.20862	1.2
606.21594	2.1
624.22858	100.0
625.23254	5.8
642.23700	2.1
660.24799	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	659.3824
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08715	0.5
52.05817	0.6
55.05466	1.0
55.84286	0.7
56.96564	38.8
56.96829	2.2
63.64340	0.6
66.43621	0.6
67.05458	1.7
69.07023	1.3
70.19720	1.9
71.95258	4.2
72.96034	1.2
73.01546	0.6
74.97597	1.4
79.05441	1.9
81.03401	1.1
81.07014	1.9
84.96004	1.0
91.05446	1.5
93.07010	1.4
95.04926	0.7
95.08549	0.8
97.06499	0.7
97.96780	1.0
98.20925	0.9
98.97560	0.9
105.06933	1.1
110.97543	1.2
115.00635	1.3
116.98560	0.7
119.08537	1.4
121.10100	0.7
123.01174	1.4
128.98576	3.9
129.02278	0.6
133.01636	0.9
134.99614	0.7
137.02698	1.3
139.00647	0.8
141.02171	1.5
146.99626	3.6
147.03313	1.1
151.00659	0.8
153.02182	1.7
155.03738	2.0
157.01682	1.8
159.36751	0.6
161.04810	0.6
167.03708	1.0
169.01700	1.9
169.05273	1.1
171.03265	6.4
173.04810	1.6
175.02660	0.9
177.04207	0.6
177.05791	0.7
181.05318	1.1
183.03265	1.9
183.06789	0.8
184.07445	0.7
185.04846	6.1
187.02762	1.3
187.06252	0.6
189.04323	8.5
193.05377	1.0
194.04926	0.8
195.06943	1.2
197.04843	1.3
197.08438	0.8
199.02658	0.8
199.04735	0.8
199.06418	9.4
201.04312	1.0
203.05890	8.9
205.07437	1.1
207.05260	0.9
207.06972	1.2
209.04900	0.6
209.06743	0.8
209.08575	0.9
211.06456	3.5
212.05885	0.6
213.06169	0.6
213.07967	11.2
215.05904	1.1
217.05415	1.0
217.07472	12.7
221.06831	1.1
221.08711	1.0
222.08015	0.7
223.06412	1.3
223.08244	0.7
223.10097	0.9
225.07991	7.2
226.07518	0.9
227.05891	1.1
227.09453	3.3
229.07535	3.6
231.06894	2.6
231.09003	11.3
236.09558	1.4
237.04445	1.2
237.07945	4.3
238.05203	0.7
239.09499	5.9
240.08940	0.7
241.11055	2.3
243.09026	6.5
245.10579	5.2
249.07961	5.2
251.09512	11.0
253.10933	0.8
255.09032	26.5
257.10638	3.0
259.12241	1.3
267.09033	38.7
268.09409	0.9
269.10596	61.4
270.10934	1.1
273.10074	18.2
277.10992	0.8
278.10623	3.1
279.08896	1.8
280.09827	1.8
281.10532	1.0
285.10086	52.7
286.10428	0.7
287.11646	25.5
289.14816	0.7
290.10587	3.7
292.12198	9.3
296.11621	1.3
297.10098	0.9
297.13635	1.0
298.10953	0.7
303.11111	4.4
308.11630	5.3
310.13077	1.5
331.12042	1.1
331.15762	13.1
349.12424	1.2
349.16840	41.3
367.17911	100.0
368.18198	1.7
372.18539	2.3
385.18982	10.3
390.19543	22.1
391.19736	0.7
408.20615	0.6
463.23334	1.1
486.01956	0.6
497.17847	0.7
513.79279	0.6
561.31018	5.1
561.38269	1.3
641.37183	1.1
659.38245	41.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3825
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.1
55.05502	3.9
56.96568	38.8
57.03452	1.4
60.27756	0.9
66.59490	1.1
67.05511	8.1
69.07073	2.0
70.28189	2.6
71.08624	0.9
71.95267	3.0
72.96090	1.0
74.09403	0.8
79.05479	4.8
81.03423	6.2
81.07056	7.2
81.94095	0.9
83.04992	1.6
83.08634	1.6
85.02905	2.0
91.05482	3.9
93.07047	5.5
95.04986	3.1
95.08619	3.5
97.10178	1.3
98.98440	1.1
99.08105	1.1
105.07006	5.1
107.04967	1.2
107.08580	2.7
109.06523	1.3
109.10169	2.4
110.97579	0.9
111.08105	1.1
115.00718	1.2
117.07034	0.9
119.08592	4.6
121.10117	1.5
122.44155	0.9
123.01217	1.1
128.98613	1.6
129.07001	1.3
131.08598	2.1
133.01785	1.3
133.10165	1.5
137.02765	0.9
137.09628	1.1
141.02234	2.4
145.01736	1.1
145.10126	1.5
146.99684	4.0
147.11699	1.7
149.09578	1.2
151.11180	1.6
153.02251	1.2
155.03796	2.0
157.01836	0.8
157.10133	1.3
159.11740	1.0
161.01256	1.2
161.13333	1.4
163.03955	1.7
163.11115	1.4
165.12859	1.2
169.01765	1.7
169.05397	1.8
171.03349	4.9
173.04854	1.3
177.04324	0.9
183.11699	1.0
184.07492	1.2
185.04832	5.0
187.02783	1.7
187.06471	1.3
189.04364	5.8
191.05998	1.7
193.12257	2.0
195.06972	1.9
197.04800	1.2
199.06441	7.3
203.05885	8.9
203.15349	5.4
205.07573	2.3
207.07045	1.7
211.06421	3.2
211.13312	2.1
213.07979	18.5
213.09868	1.6
215.06114	1.2
217.07481	13.4
219.06963	1.2
221.06915	1.6
222.08156	1.0
223.10197	1.6
225.07964	7.9
227.05980	1.2
227.09677	2.7
229.07521	1.3
231.06895	1.9
231.09021	21.8
231.11276	1.4
236.09578	2.2
237.08029	3.6
239.09535	7.5
241.07401	1.1
241.11217	1.0
243.09021	8.9
245.10626	2.1
248.09653	1.1
249.07971	4.5
251.09578	13.2
254.10704	1.6
255.09059	24.6
257.10669	4.1
259.20679	1.9
262.08807	1.4
262.11234	1.2
267.09055	30.6
269.10605	100.0
270.10953	1.7
273.10104	15.0
277.21695	3.6
278.10532	2.1
279.08978	1.3
285.10089	41.8
285.16913	1.8
287.11658	40.5
290.10718	3.8
292.12207	17.9
293.20682	0.9
296.11832	1.6
303.11282	4.1
307.15652	1.2
308.11554	6.1
310.13217	4.3
331.15826	7.6
349.16895	27.6
351.25485	1.1
367.17935	90.5
368.18564	1.2
372.18347	2.6
385.18985	14.2
390.19482	21.4
431.22366	1.3
449.21884	1.1
463.23740	2.9
493.86359	1.2
497.18124	1.5
509.53931	1.0
536.15845	0.9
543.36865	2.2
561.30676	9.7
561.38013	7.0
641.37683	1.8
659.38293	41.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3629
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.2
55.01873	6.6
55.05509	13.1
57.03434	24.0
57.07075	4.7
61.02926	88.0
63.65006	1.2
65.03938	2.9
67.05503	47.8
69.03430	34.9
69.07070	12.0
70.06580	8.8
71.01341	3.7
71.04993	6.0
71.08645	3.0
71.51291	1.3
71.51666	1.4
73.02916	31.6
75.04456	2.3
79.05492	35.0
80.83035	1.1
81.03415	28.7
81.07053	51.5
83.04977	5.8
83.08614	6.5
84.61555	1.3
85.02905	100.0
85.06554	1.8
86.88441	1.3
87.04469	4.8
88.07628	11.6
91.03957	58.5
91.04950	2.3
91.05471	19.3
93.07044	37.7
95.04964	7.8
95.08608	42.8
97.02891	84.2
97.06532	5.4
97.10176	3.4
99.04453	15.8
101.02368	9.4
102.09170	8.0
103.03951	12.4
105.07037	17.5
105.76997	1.4
106.64515	1.3
107.04955	2.2
107.08600	19.8
109.02881	16.5
109.06507	2.7
109.10149	20.2
109.10853	1.8
111.04441	5.2
111.08085	2.5
112.05255	1.2
115.03914	6.6
115.69683	1.3
117.05501	3.9
117.06998	7.8
119.08580	15.2
121.06654	1.4
121.10136	20.1
123.08083	2.7
123.11730	5.7
127.03914	38.2
129.05476	7.0
129.06960	2.9
131.08548	10.4
133.10141	11.7
135.11708	13.0
137.09631	1.8
137.13274	2.7
143.08545	2.8
145.04950	20.7
145.10095	11.4
147.11647	6.5
149.02336	15.4
149.09660	1.7
149.13304	7.9
150.02751	4.2
155.07152	1.6
155.08525	1.5
157.10109	2.4
159.06557	3.8
159.10547	1.9
159.11662	8.9
161.13287	5.9
163.06046	5.8
163.11183	1.9
163.14828	3.7
169.10155	1.4
171.06563	2.4
171.11752	3.1
173.13148	8.0
175.11342	1.4
175.14821	2.3
177.12752	2.1
177.16393	1.5
183.06499	10.6
184.07303	1.7
185.13258	2.6
187.14870	4.5
193.04973	19.0
194.05244	8.8
197.13239	1.5
201.07576	11.4
219.08650	1.4
231.13806	1.5
233.22650	2.1
237.07631	3.9
238.07890	1.7
241.19646	2.5
243.21034	6.5
256.26358	14.6
257.26672	10.6
259.20581	2.5
261.22119	23.6
273.22180	1.6
279.23251	2.2
287.05640	1.9
289.18192	1.4
289.21747	2.8
303.23233	3.6
323.23532	1.3
327.22958	2.3
335.25790	95.5
341.06500	2.5
342.06882	3.0
359.07483	1.4
360.08014	1.6
363.25378	3.0
369.24292	2.5
385.09232	5.7
386.09561	5.1
387.24783	1.7
394.74362	1.6
429.11905	4.3
430.11948	7.7
443.27933	2.8
461.28976	4.3
479.17255	2.1
479.30240	9.3
497.18295	4.0
497.30991	3.0
659.36169	54.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	1.7
65.14117	0.4
67.01852	0.7
67.05502	5.4
68.99784	0.9
69.07041	1.1
70.24380	2.0
79.05474	1.7
79.26186	0.5
81.07053	3.9
91.05470	1.0
93.07058	0.6
95.08578	0.5
97.06509	0.9
105.07011	0.6
107.08591	0.5
109.10126	1.5
137.05975	0.5
139.03897	1.3
141.06972	0.5
147.04384	0.5
153.01828	26.7
153.06931	0.6
157.06468	0.5
159.04482	0.5
161.02231	0.5
163.03937	0.4
165.05490	0.6
165.07019	0.7
171.02930	0.7
171.04369	0.9
172.05238	0.5
173.05925	0.6
180.05643	0.4
184.05142	0.5
185.05931	2.3
186.78473	0.4
187.03935	0.9
193.06549	0.4
197.06029	2.6
198.06799	0.8
199.07552	0.9
202.07385	0.5
211.07526	1.2
229.05061	0.5
237.05342	0.7
249.05595	0.5
251.07019	0.9
253.04919	1.4
255.06505	0.6
257.04428	0.9
258.05228	2.1
265.04913	2.8
266.05844	1.1
267.06543	1.2
269.04483	0.7
271.06125	1.4
275.07074	1.8
277.05188	0.7
279.06467	2.2
281.04501	2.3
281.15350	0.6
282.05295	1.5
286.04745	3.4
287.05536	4.2
293.04388	1.0
293.07858	0.9
294.05276	0.9
295.06015	7.5
297.03873	4.1
298.04703	1.3
299.05438	1.6
303.06525	8.7
305.07980	0.8
306.05252	0.6
307.05960	1.7
309.04016	0.9
309.07642	1.0
310.04694	0.8
311.05499	8.4
319.05896	0.8
321.03928	2.1
321.07581	3.6
322.04578	0.7
323.05457	25.0
324.06238	3.6
325.06879	1.8
327.04904	0.9
331.06015	11.5
332.06659	1.3
334.04782	1.5
335.05383	2.3
337.07068	4.7
348.06403	0.8
349.07034	9.2
350.07816	14.9
351.08569	1.9
363.08450	2.3
375.08768	0.5
377.10214	0.7
433.16467	31.5
434.16699	1.4
443.14886	0.9
451.17453	2.1
461.15948	100.0
462.16138	4.0
479.16998	98.8
480.17383	4.8
497.18033	67.8
498.18552	3.1
548.08887	0.7
636.33948	0.5
659.23590	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	2.9
57.07033	0.3
65.03927	0.3
67.05479	0.4
69.03401	0.3
69.07043	0.6
70.64140	0.5
70.64488	0.6
74.72083	0.2
79.05496	1.3
81.07026	0.7
85.02857	0.7
91.05457	0.6
95.04961	0.6
97.06045	0.2
97.06544	2.2
97.10169	0.3
103.05460	0.4
105.06984	0.4
107.04953	0.7
117.02370	0.2
121.06482	0.4
123.04399	0.5
131.04886	0.3
133.06506	0.3
137.05963	1.0
145.06567	0.3
151.07506	0.3
153.01839	5.8
155.03439	0.3
161.05956	1.0
163.03874	0.6
165.05511	0.6
165.06943	0.2
167.07043	1.2
171.02911	0.3
173.06058	0.3
175.07565	0.5
177.05429	0.3
181.04947	2.1
185.05914	0.4
187.03821	0.3
189.05473	0.3
191.07034	0.3
195.06528	0.3
201.05339	0.3
209.08092	0.4
211.07484	0.3
215.07076	0.4
215.09297	0.2
221.08104	0.4
225.05342	0.4
234.89056	0.2
239.06801	0.3
253.05003	0.4
258.04953	0.4
259.09665	1.0
267.06543	0.7
271.06067	2.9
279.06580	0.3
281.04419	0.6
283.05914	0.3
287.05441	0.9
291.06461	0.3
295.06024	2.5
297.03915	0.7
298.04736	0.8
299.05557	0.4
305.04532	0.3
307.05734	0.3
310.04694	0.7
311.05502	12.9
323.05508	100.0
324.05981	4.0
325.07001	1.3
335.05502	0.8
337.07065	3.5
349.07047	3.7
350.07785	0.3
351.08679	0.6
353.06522	1.7
361.07062	0.5
363.08633	0.4
403.14575	0.4
407.14926	10.3
408.15213	0.3
415.13556	0.4
417.13388	1.6
435.14395	53.3
436.14874	1.6
451.17566	3.2
453.15457	17.0
454.15720	0.7
479.17108	10.5
480.17575	0.4
497.18137	32.7
498.18552	0.6
615.20148	0.4
629.21265	0.3
641.21527	0.5
659.23212	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	658.4156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13898	1.2
55.01865	1.8
55.05518	11.1
56.13981	1.2
57.03428	10.8
57.07061	2.9
59.04997	2.4
61.02907	5.6
65.03928	1.4
67.05501	88.2
69.03429	3.2
69.07049	6.1
71.04971	3.2
71.08595	1.5
71.52382	1.7
73.02900	3.1
79.05491	22.2
79.64169	1.3
81.03412	1.7
81.06599	2.2
81.07050	34.9
83.04962	1.6
83.08617	10.3
85.02894	4.8
85.06509	4.0
88.51788	1.4
89.06010	3.7
91.05473	13.7
93.07036	29.1
95.04968	3.7
95.08600	19.9
97.02888	2.8
97.06522	2.4
99.08071	2.4
105.07028	8.2
107.08597	11.9
109.06513	1.6
109.10152	70.6
111.08041	3.2
117.07001	3.9
119.08581	10.9
121.10147	12.9
123.11692	2.3
131.08560	5.3
133.08586	3.1
133.10101	5.4
135.11673	13.2
137.09586	3.8
137.13200	1.3
145.10078	4.7
147.11652	5.4
147.49829	1.3
149.13226	6.4
155.10663	3.8
159.11679	5.1
161.13188	2.3
173.11703	20.7
173.13248	5.5
177.11200	1.4
215.17911	15.0
227.12798	3.5
227.20049	23.8
229.14328	100.0
233.18990	20.1
307.22644	53.5
387.29193	1.9
461.32535	37.2
479.33972	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	659.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73909	0.3
53.03936	0.5
55.01866	0.7
55.05512	2.4
60.14451	0.4
61.81321	0.4
65.03966	0.4
66.20344	0.4
67.01891	0.5
67.05508	3.8
69.03428	0.7
69.07054	1.3
69.33426	3.5
77.03884	0.4
79.05498	2.6
81.03417	1.1
81.07061	4.7
83.04922	0.5
83.08626	0.7
85.02885	0.5
91.05476	2.0
93.07043	1.4
95.04964	1.1
95.08597	1.2
96.28207	0.3
97.06528	1.7
103.05503	0.4
104.36996	0.3
105.07050	0.9
107.04932	0.8
107.08563	0.5
109.10138	0.8
119.04988	0.5
119.08616	0.5
123.04425	0.5
131.04892	0.7
135.04478	0.7
137.05984	1.3
149.06007	0.4
151.03891	0.5
153.01833	18.2
159.04523	0.4
161.05991	0.7
161.49062	0.4
163.03894	0.4
163.07617	0.5
165.05493	0.9
165.09219	0.5
167.07047	0.7
171.02997	0.8
173.02440	0.5
173.05951	0.5
175.03976	0.5
177.05498	0.8
179.07089	0.5
181.04967	2.0
181.06403	0.5
184.07379	0.9
185.05939	0.5
189.09052	0.4
197.05984	0.5
198.06801	0.5
199.07671	0.5
201.05440	0.6
209.08095	1.3
211.07425	0.4
213.05415	0.7
215.88744	0.4
217.05003	0.3
227.07173	0.7
227.12590	0.5
229.05003	1.6
237.05545	0.5
241.04941	0.5
243.06573	6.7
251.07045	0.7
255.06371	0.9
257.04440	4.9
257.08359	0.5
258.05273	4.9
259.09644	0.7
265.05026	0.4
267.06876	0.4
269.08237	0.6
271.06015	16.7
272.06760	2.1
279.06519	1.3
281.04581	0.5
282.05081	0.5
283.06110	1.3
285.03854	1.8
286.04712	8.7
287.02332	0.9
287.05502	14.3
288.05765	2.4
289.06119	1.6
293.04251	0.5
293.08032	0.7
295.05948	0.7
297.03998	2.3
297.07291	0.8
298.04272	0.5
299.05505	17.7
300.02908	0.6
300.06152	4.1
301.07101	0.5
307.05948	1.1
309.07471	1.3
310.04611	0.7
311.05527	11.5
313.03424	5.1
313.07129	2.4
321.07788	1.8
323.05524	7.3
324.06256	1.0
325.07050	4.3
327.05057	0.6
327.08667	0.6
329.06546	1.6
331.04626	0.5
335.09552	0.5
337.06973	2.3
339.04861	0.7
339.08649	4.2
341.06616	0.8
349.07040	1.3
350.07834	1.4
351.08774	1.1
355.08176	0.9
363.08710	1.9
365.10385	0.6
377.10568	0.6
407.15018	0.5
423.18063	5.3
433.16406	4.2
435.14426	2.6
449.19348	0.6
451.17548	16.7
453.15491	0.5
461.15967	17.8
462.16391	0.4
467.20901	0.4
479.17029	69.0
480.17392	1.2
497.18066	100.0
498.18298	2.2
520.98230	0.4
620.81616	0.4
659.23212	2.3
669.60419	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.3583
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10934	0.3
56.05045	0.5
57.03427	0.4
57.07074	7.0
58.06598	2.3
61.02916	0.5
61.58212	0.4
65.03949	1.1
66.72885	0.4
67.05507	0.7
69.03438	0.7
69.07068	0.7
69.77534	2.2
70.06592	16.3
71.08633	2.6
72.08138	0.7
72.35439	0.4
74.06070	0.8
76.01451	0.4
79.05515	0.5
81.03438	0.5
81.07042	0.8
85.02897	1.3
85.10172	0.9
88.07629	19.6
91.03945	0.8
91.05450	0.5
93.07024	0.6
95.08592	0.8
97.02886	0.9
102.09179	15.6
132.10188	0.4
139.03957	0.7
147.04378	0.6
148.51942	0.4
149.02339	36.4
149.03322	1.3
175.03850	0.9
177.05443	1.0
191.07100	0.5
193.04962	45.8
212.23849	0.5
219.06596	1.4
225.05389	0.8
237.07571	11.7
256.26352	47.0
257.26715	0.8
269.04559	1.4
297.03967	2.5
300.29028	1.3
313.07117	2.2
335.25931	0.9
341.06573	11.2
359.07581	7.1
385.09177	18.9
386.09641	0.5
429.11823	30.8
430.12427	0.9
466.53616	0.4
640.34924	1.6
658.35822	100.0
659.36249	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	657.3976
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30662	0.9
55.01870	0.8
55.05498	2.2
56.57924	0.6
60.64004	0.7
67.05505	4.6
69.07080	1.3
69.52965	1.5
69.53386	3.8
71.08632	1.0
79.05486	4.1
81.03392	1.5
81.07048	4.9
83.04974	1.0
83.08627	1.9
86.39609	0.6
91.05463	4.3
93.07043	4.2
95.04973	2.2
95.08586	3.6
98.98521	0.7
105.07047	2.9
107.04945	0.9
107.08611	1.9
109.10152	1.1
117.07039	1.0
119.08585	1.2
121.10133	1.7
125.09612	1.0
128.78964	0.7
131.08617	1.1
133.10094	1.3
135.11743	1.8
145.10135	1.7
151.11220	1.1
161.13289	0.9
163.11171	1.6
179.14349	1.1
184.07396	1.9
214.27176	0.6
227.12784	0.8
237.39120	0.7
241.49498	0.6
250.83995	0.7
275.20187	0.8
277.21460	3.2
287.05292	0.9
291.87854	0.8
331.18726	2.4
349.19168	2.5
438.01819	0.7
459.27783	0.8
470.36877	0.7
524.49792	0.7
545.38910	1.0
559.36157	7.7
566.24524	0.7
571.58771	0.7
639.27649	0.9
657.39709	100.0
658.40259	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	657.217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05482	0.1
57.03421	0.1
58.13699	0.1
67.01858	0.4
67.05487	0.3
67.96647	0.1
68.99785	0.3
69.03425	0.2
69.07061	0.1
69.95280	0.3
71.05001	0.1
71.32507	0.1
79.05477	0.3
81.03418	0.6
81.07047	0.3
83.08644	0.1
85.02911	0.2
89.03879	0.1
91.05469	0.4
93.07019	0.3
95.04951	0.3
95.08595	0.1
97.02905	0.2
100.00787	0.1
105.07009	0.2
107.04975	0.3
107.08591	0.1
109.02862	0.3
109.06514	0.1
115.05510	0.1
119.08553	0.2
121.06474	0.2
121.10088	0.1
127.03926	0.2
129.01880	0.1
131.08527	0.1
135.04416	1.3
137.02332	0.7
137.05969	0.2
138.05444	0.2
139.48573	0.1
145.10112	0.2
149.09644	0.1
150.48061	0.1
153.01826	4.2
161.02336	0.6
163.03915	0.3
163.11150	0.3
168.07964	0.1
169.07599	4.6
170.07965	2.2
171.02866	0.8
173.06113	0.1
175.03923	0.1
175.07391	0.1
179.03351	0.3
181.04935	0.1
184.07652	0.1
185.06108	0.1
195.09206	0.1
209.11806	0.3
211.61188	0.1
213.05365	0.2
227.12746	0.3
237.10268	0.1
241.04915	0.7
259.06122	0.1
264.08490	0.1
265.09738	0.9
266.10034	0.8
269.04492	0.4
271.05911	0.2
285.12390	0.1
286.04813	0.2
287.05478	100.0
288.05811	3.7
294.09995	0.2
301.07034	0.3
302.07291	0.3
303.07834	0.1
307.07260	0.1
318.13449	0.1
335.13928	1.7
336.14188	2.8
336.20502	0.1
339.05914	0.1
339.09686	1.1
353.15881	0.2
359.15228	0.1
363.13248	1.3
364.13672	1.9
366.39621	0.1
367.09305	0.2
385.10254	0.7
413.13675	0.1
432.92584	0.1
498.19458	0.1
502.15564	0.1
526.18793	0.2
625.22888	0.5
657.21796	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
64.64146	1.1
67.05521	1.6
69.07043	1.2
81.07079	1.5
93.07023	1.4
98.21660	1.5
100.08589	1.0
110.13708	1.2
127.59904	1.2
136.71721	1.2
144.08105	1.7
223.12352	1.3
229.68660	1.2
233.10735	1.6
237.13885	1.4
247.12343	1.4
249.14174	1.3
261.13840	1.9
273.13806	1.5
275.15259	1.7
288.16058	2.2
297.12491	1.4
299.14713	1.3
314.16623	2.4
318.15906	1.6
337.15436	1.4
338.16696	1.2
340.18182	2.6
341.68335	1.3
350.16544	1.2
352.17810	1.5
354.19617	1.4
363.16501	2.5
364.17154	2.5
365.17773	2.5
366.18979	1.4
376.17410	1.9
377.17590	3.4
378.19513	2.0
379.19272	5.4
381.20807	1.8
388.18045	1.8
389.17740	2.0
391.18985	3.8
392.20383	2.0
393.16895	3.4
393.20825	3.9
395.18469	2.2
405.20923	2.7
406.21515	2.2
407.18408	4.2
407.22849	2.4
408.19308	4.5
409.20340	6.8
419.18408	2.6
419.23141	1.6
420.19647	1.9
421.19794	6.1
421.24994	1.9
423.21881	20.0
424.22116	2.7
433.20160	2.6
434.20950	1.9
435.21988	10.4
436.22528	4.0
437.23883	5.6
438.21756	1.6
442.21167	2.3
445.20013	1.6
446.21017	1.9
447.22000	2.1
449.23270	3.7
450.24002	3.6
451.21259	4.8
453.23077	2.9
454.19785	5.9
461.23972	7.0
463.21335	3.5
464.21899	4.1
465.22583	4.7
466.22861	2.8
467.24316	3.9
468.24902	4.0
476.22241	2.1
477.23358	6.2
478.23770	4.2
479.24042	5.4
481.22247	2.8
491.21109	1.5
493.22189	6.2
493.27060	2.3
494.27173	7.2
495.23514	16.0
496.24664	5.3
507.23853	4.0
508.24747	15.7
509.25613	13.6
510.26343	11.3
511.27158	18.2
516.24390	1.5
519.24280	2.5
521.25543	6.3
522.26202	4.4
523.23450	7.0
525.28339	1.4
526.29333	3.9
537.25018	22.7
538.25586	9.7
539.26538	2.3
545.38269	3.5
549.24841	2.3
551.22577	2.4
553.28625	11.1
554.25775	1.7
555.25616	3.2
565.24408	4.8
566.24823	3.2
570.27905	5.9
581.27563	26.7
582.26147	2.7
583.25641	7.7
597.27063	54.7
598.27631	10.9
613.30188	74.6
614.30444	5.1
625.26514	100.0
626.26434	4.3
657.28912	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	657.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28144	0.2
51.90967	0.2
53.03930	0.2
67.01849	0.2
68.38215	0.2
69.33617	1.2
69.34023	0.3
72.39925	0.2
79.05447	0.5
81.07024	0.4
91.05437	0.8
93.07014	0.3
95.04926	0.6
95.08568	0.2
98.20722	0.3
102.04653	0.2
103.05463	1.8
105.07026	0.5
107.04922	0.4
117.07004	0.3
118.04161	1.1
119.04921	0.4
120.81669	0.2
121.06466	0.8
122.03661	0.2
123.04385	0.4
123.34389	0.2
129.06950	0.2
130.04117	0.6
131.04919	2.7
132.05725	1.2
133.02832	0.2
133.06412	0.4
135.04352	0.5
135.08034	0.2
137.05933	1.0
139.39204	0.2
140.04677	1.8
140.55293	0.2
146.03616	1.7
147.04404	0.4
148.05164	0.6
149.05956	0.8
151.03790	0.4
151.07515	0.6
153.01820	3.4
153.05415	0.7
154.06229	0.3
155.07022	0.4
159.04445	0.3
160.05219	0.9
161.02351	0.2
161.05975	1.5
162.03171	0.9
163.03848	0.6
163.07555	0.4
165.05457	0.3
166.06221	0.3
167.06985	1.3
168.07866	0.2
169.15848	0.2
171.02812	0.2
173.05988	0.4
175.07532	0.6
176.04659	1.3
177.05473	2.3
178.06242	2.8
180.07750	0.3
181.08583	0.2
182.09322	0.2
191.07022	3.5
191.08621	0.1
192.07797	1.5
201.05482	0.2
203.03369	2.1
210.06604	0.2
210.08759	0.3
213.05403	0.4
221.05946	0.3
229.04941	3.4
241.04915	0.5
242.05719	6.0
253.04974	1.5
253.08701	0.2
256.07117	0.2
257.04428	40.4
258.05206	9.2
259.05945	0.2
265.08380	0.2
269.04425	1.1
270.05231	1.6
271.05972	1.6
283.06110	0.3
284.06885	0.2
285.03909	5.8
286.04703	21.8
287.05484	15.2
287.08853	0.3
288.05743	0.3
297.03937	3.0
297.11047	0.2
299.05444	1.3
300.06259	1.0
301.07059	0.3
309.11176	0.2
311.05484	0.3
311.12784	0.3
311.55878	0.2
323.05496	0.3
327.04987	2.0
337.14209	0.3
341.06464	2.7
355.15506	0.6
365.79630	0.2
374.07852	0.2
375.08755	0.2
387.08621	0.3
388.09128	0.2
416.08899	0.4
417.09570	0.2
419.07614	0.8
421.08771	0.4
431.07809	0.2
433.09042	0.3
444.08560	0.6
445.09113	0.8
445.16055	0.2
447.07065	1.5
461.08740	0.5
462.09460	1.5
463.10092	0.2
465.11774	3.7
477.11777	14.4
478.12048	0.4
495.12833	100.0
496.13162	2.0
657.17181	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	3.0
61.02906	0.9
67.05507	0.7
67.41798	0.5
69.03413	1.4
70.06593	0.4
71.04990	11.9
71.50027	1.1
73.02921	2.9
75.04468	1.0
79.05475	1.0
81.07047	0.5
83.04983	1.1
85.02903	15.3
86.31989	0.4
87.04462	0.7
88.15455	0.5
91.05477	2.6
94.04167	0.9
94.36301	0.5
95.04959	1.6
97.02891	0.8
99.04435	1.3
103.05469	5.3
105.07025	0.5
107.04953	1.3
109.06496	0.9
111.04438	1.2
115.03918	1.2
115.05438	0.6
117.07037	2.5
119.04927	2.1
119.08523	0.5
121.06480	1.2
122.03609	1.3
123.08047	1.6
128.06161	0.6
129.05492	5.8
129.07005	1.6
131.04924	14.3
131.08582	0.7
133.06458	0.7
135.08063	1.4
137.05974	35.8
138.06314	0.6
143.08562	1.1
145.06470	1.3
146.08098	1.6
147.06488	2.4
147.08070	0.6
149.05986	1.8
151.03903	1.2
151.07538	19.4
157.06488	1.6
161.05988	4.4
162.06749	1.8
163.07538	44.8
164.07939	1.2
164.09148	3.8
165.05733	0.5
165.09120	1.4
167.08539	0.9
171.08020	1.6
174.06813	1.2
175.07533	6.0
175.87637	0.5
177.09099	100.0
178.09424	1.9
183.08064	0.6
187.07501	1.4
189.09105	5.5
191.06992	1.1
191.10582	0.5
193.10211	0.7
194.07100	0.5
195.08057	2.0
195.10147	3.7
203.07024	0.7
203.10649	1.8
207.10178	1.4
210.06667	0.5
219.10138	2.2
221.05954	0.9
221.09749	1.1
221.11705	26.2
222.12039	0.9
223.07484	1.7
225.09177	0.8
227.10651	4.5
229.08702	0.6
237.09219	1.0
241.12160	0.8
249.09003	1.0
249.11279	1.2
252.07957	0.6
253.08585	2.3
253.12177	2.5
255.10164	4.9
265.08688	0.8
267.10239	1.1
281.11688	1.1
285.11301	2.7
287.12769	7.5
299.12851	1.4
309.11224	0.6
311.12762	1.9
313.14362	7.5
314.14774	0.7
331.15378	32.1
332.15668	1.0
337.14117	1.1
343.15424	5.7
345.16968	0.9
355.15469	1.4
367.15274	2.1
369.16647	0.7
385.16367	1.8
397.16425	0.7
423.17703	1.0
437.19583	0.6
441.19186	0.8
477.21259	1.5
656.24731	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.9
53.88389	0.9
54.54149	0.9
55.05514	5.4
57.03435	3.6
57.07077	41.8
61.02926	7.8
67.05502	15.6
69.03432	1.6
69.07062	9.6
69.33605	2.3
69.34013	6.0
71.04996	1.4
71.08244	1.7
71.08629	30.8
73.02901	3.5
75.04482	2.8
79.05483	3.7
80.04112	0.9
80.24715	0.9
80.30907	0.8
81.03419	2.1
81.07053	16.6
83.04995	1.0
83.08616	13.6
85.02902	12.5
85.10178	18.8
86.09686	2.0
91.03954	9.1
91.05492	2.5
93.07037	3.7
95.04948	1.4
95.08604	26.9
97.02888	6.6
97.09600	1.4
97.10157	7.5
99.04476	0.9
105.07021	2.1
105.15561	0.9
105.46227	0.8
107.04946	1.0
107.08588	2.9
109.10152	11.9
111.11724	1.6
119.08556	1.5
123.11714	3.8
124.99998	1.9
125.13252	1.1
127.03915	3.3
133.10104	1.4
135.11723	0.9
137.13246	2.7
143.08586	1.3
145.04956	5.0
147.11705	1.4
147.17726	0.9
163.06026	5.9
163.14771	0.9
171.11682	1.2
184.07362	4.1
221.22754	1.2
239.23694	29.5
257.24823	4.4
277.21478	1.4
298.27176	1.0
313.27359	100.0
314.27609	2.4
331.28394	13.2
331.34882	0.9
331.96539	1.0
355.22745	1.0
475.32568	3.2
501.27328	0.9
549.24689	1.0
557.38025	3.4
577.24274	6.4
633.96790	1.1
637.25916	2.6
655.27734	4.2
655.37518	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2761
Annotation	Coproporphyrin I
Peak:m/z	Relative Intensity
55.01865	0.7
55.05515	1.3
57.03444	0.8
67.05505	2.7
71.52541	1.3
71.52961	1.1
79.05508	1.9
81.03410	1.1
81.07053	2.8
91.05499	1.8
93.07053	2.2
95.08592	1.2
107.04958	1.1
113.95126	0.7
119.08549	0.9
120.43597	0.8
125.00029	0.9
184.07368	1.6
208.66739	0.7
222.11517	0.7
242.30823	0.9
337.44287	0.7
391.19232	2.3
392.20200	1.0
405.17133	3.1
406.17587	1.1
407.22562	5.2
408.23047	1.0
419.18292	5.0
420.19357	2.4
421.20166	1.9
430.46484	0.8
432.19638	1.4
433.20325	10.0
433.24673	0.9
434.21066	5.8
435.21988	7.4
447.22226	1.3
449.19562	2.0
462.20624	3.4
463.21204	3.3
465.18701	1.3
475.21674	1.7
479.21301	1.0
491.20877	1.2
493.22202	1.4
508.20987	1.0
520.24329	1.2
521.25739	9.2
549.25061	11.3
565.24567	1.2
577.24506	8.2
580.26917	1.3
581.27454	1.8
593.38184	0.9
595.25293	5.1
609.27277	2.7
637.26599	8.4
655.27625	100.0
656.27844	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.5
57.07045	0.5
67.05479	1.0
69.07040	0.4
70.00145	1.4
71.41482	0.4
79.05473	0.9
81.07045	1.0
83.04961	1.2
91.05468	1.2
93.07041	1.3
95.04897	0.4
95.08582	1.0
103.71185	0.4
105.07023	0.7
107.08620	0.9
116.89886	0.3
119.08566	0.7
123.61349	0.4
124.48882	0.4
129.06944	0.5
131.08542	0.4
135.07996	0.4
147.11632	0.4
160.80954	0.4
175.01535	0.5
179.14352	0.8
272.22702	0.3
277.21689	0.6
295.10959	0.4
377.17902	0.6
391.19281	1.2
392.19943	0.8
393.20850	0.5
403.19226	0.5
403.93564	0.4
404.19794	0.5
405.16995	1.4
405.21317	0.9
406.17218	0.5
406.21954	0.6
407.22485	4.4
408.22849	0.5
417.21002	0.5
419.17999	2.5
419.23386	0.7
420.19406	1.6
421.20074	1.0
432.19467	0.5
433.15027	0.6
433.20541	5.6
434.21152	5.1
435.21771	8.0
436.22287	0.6
447.17313	1.1
447.21896	2.1
448.18143	0.7
449.19138	1.8
461.19278	1.4
461.24182	0.7
462.20245	4.3
463.21008	4.1
475.21359	2.2
476.22070	1.3
477.22833	1.4
479.20145	0.7
489.22766	0.9
493.22095	0.6
495.23972	1.2
507.23605	0.8
508.24844	1.9
509.25449	1.4
520.23114	0.4
521.25635	11.4
522.25995	0.9
535.26581	0.5
549.24933	19.4
550.25256	1.7
553.25555	0.5
557.38489	2.3
563.26550	3.1
564.27356	0.9
577.24176	0.5
580.24567	0.5
581.27704	3.3
595.29199	8.9
596.29712	0.7
599.25299	1.0
609.17627	0.7
609.27045	11.1
610.27734	0.5
623.28644	1.6
655.31079	100.0
656.31573	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	655.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27265	0.1
53.03935	0.3
55.01871	0.3
55.05507	0.5
57.03439	0.1
60.08092	0.1
62.66129	0.1
65.03941	0.1
67.01871	0.5
67.05504	1.4
68.99792	0.4
69.03423	0.3
69.07076	0.5
70.11570	0.5
71.04986	0.2
79.05080	0.1
79.05499	1.7
81.03417	1.2
81.07059	1.2
83.04976	0.3
83.08616	0.3
85.02891	0.2
89.03931	0.1
91.05482	1.6
93.07044	2.4
95.04970	0.7
95.08594	0.6
96.05406	0.1
97.02895	0.5
97.06511	0.3
97.10219	0.1
99.04453	0.1
103.05446	0.2
105.07020	1.3
107.04945	0.4
107.08566	0.7
109.02880	1.1
109.06516	0.3
109.10119	0.2
111.04446	0.2
111.08055	0.1
115.05421	0.1
117.03401	0.2
117.07027	0.3
119.08553	0.8
121.02871	0.1
121.06509	0.2
121.10145	0.2
123.08047	0.2
126.70148	0.1
127.03913	1.0
127.07677	0.1
128.06161	0.1
129.01797	0.2
129.07018	0.6
131.08560	0.3
133.10123	0.4
135.04398	1.5
135.08092	0.2
135.11688	0.2
137.02348	0.8
137.05945	0.2
143.08521	0.3
145.10124	0.4
147.11678	1.5
149.09619	0.1
153.01828	5.1
157.10162	0.1
159.04419	0.2
159.11769	0.1
161.02321	1.2
161.06009	0.1
161.09601	0.2
161.13269	0.5
163.03891	0.8
163.11169	0.2
165.12827	0.1
168.81473	0.1
171.02893	1.3
171.04286	0.2
171.11705	1.3
173.02284	0.2
173.05928	0.1
176.12001	0.1
179.03442	0.4
183.08141	0.1
185.05925	0.2
187.03900	0.2
187.11240	0.1
189.05420	0.1
189.12677	0.6
193.12328	0.2
199.03833	0.2
201.05589	0.2
203.03288	0.2
207.13808	3.9
209.11771	0.1
211.13298	0.1
213.05536	0.3
219.06522	0.3
227.12694	0.1
241.04956	0.8
245.04482	0.2
263.05557	0.1
267.13568	0.1
267.16034	0.1
269.04456	0.4
271.06000	1.2
283.15491	0.2
287.05490	100.0
288.05823	1.8
329.06598	0.3
333.17014	0.2
337.14319	0.4
350.23157	0.1
351.18045	0.3
353.06210	0.1
355.15475	0.3
369.19003	0.2
429.18958	0.6
449.11700	0.1
481.15833	0.1
644.07751	0.1
655.22430	0.2
655.31219	0.3
655.40271	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
60.09695	1.0
67.05493	2.4
69.41578	9.5
81.07050	1.4
90.74896	1.0
92.49039	1.3
107.67781	1.0
184.07359	2.3
196.09840	1.2
204.06609	1.2
209.10765	1.7
210.11478	1.5
223.08539	1.3
223.12277	2.7
225.13916	3.8
226.14647	1.4
235.12366	1.7
237.10258	1.5
237.13925	5.5
239.15463	2.0
241.00185	1.2
249.10295	2.5
249.13943	2.2
265.09653	1.2
277.09827	2.0
293.76535	1.2
337.11926	1.6
352.14566	1.5
368.13647	1.4
387.15964	1.3
388.16382	1.2
396.13303	1.8
397.14044	1.4
403.19678	2.3
412.16287	1.6
417.16544	1.9
417.21420	1.4
427.04587	1.5
429.17203	3.9
430.17795	2.7
431.18488	3.6
443.19107	1.8
444.19550	2.9
445.20319	3.2
446.21085	2.8
447.21524	4.0
454.17899	1.7
459.22479	5.3
471.17871	1.2
472.19049	1.4
473.23660	2.1
475.21277	2.1
487.21512	11.5
501.22986	5.7
503.20731	1.4
515.20892	2.8
519.23895	3.7
529.22247	4.6
533.25378	5.4
547.23474	2.7
561.24982	100.0
562.25281	2.5
589.24304	8.8
593.26782	1.3
621.27069	96.1
622.27380	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	653.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54646	1.2
61.76790	1.1
70.05202	5.4
93.06995	1.5
98.21238	3.2
101.74329	1.2
107.08628	1.3
114.12731	1.3
208.09856	1.5
209.10739	1.6
223.12303	2.6
225.10262	1.2
225.13828	3.8
235.12373	2.2
237.13864	3.5
239.15462	2.2
249.10371	2.8
249.13739	2.1
251.08182	1.6
277.09439	1.4
337.11911	1.4
376.18353	1.3
396.13339	1.6
404.20981	1.4
417.20990	2.1
428.16055	1.7
429.17154	3.5
430.17307	2.2
431.18497	3.9
443.18585	2.2
444.19229	2.8
445.20081	4.0
446.20856	4.6
447.21863	3.3
457.16647	1.4
459.22479	5.5
460.22006	1.3
471.18265	1.4
472.19003	2.1
473.18967	1.5
474.20468	2.2
475.20834	1.7
487.21497	8.9
501.22528	4.2
502.24323	2.0
515.20477	3.5
519.23816	3.6
529.22229	3.4
533.25189	4.6
561.24939	92.8
562.25049	4.1
589.24261	8.9
621.27026	100.0
622.27240	3.6
635.28406	2.6
653.29492	6.3
667.98029	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.4416
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.8
55.01871	10.9
55.05511	33.0
57.03427	7.7
65.03928	2.9
67.05502	39.2
67.38464	2.8
69.03405	5.5
69.06731	2.8
69.07068	33.0
69.33971	15.1
69.34385	5.2
71.05008	13.6
79.05493	49.8
81.03414	8.0
81.06597	4.6
81.07053	70.5
83.04968	9.7
83.08622	14.9
85.02893	3.6
85.06497	2.3
91.05472	36.6
93.07042	37.4
95.04453	2.9
95.04964	25.1
95.08601	21.5
97.02889	2.0
97.05933	4.5
97.06529	74.7
97.10171	21.2
99.08070	2.3
103.05434	3.9
105.07028	24.7
107.04939	15.7
107.08595	29.6
109.06512	17.9
109.10155	10.2
111.04425	4.7
111.08076	8.1
115.07607	11.5
116.06236	1.9
117.07008	18.6
118.39683	1.8
119.08585	30.2
119.59589	1.9
120.08951	2.0
121.06490	10.8
121.10108	11.3
123.04432	2.5
123.08038	11.1
124.99989	4.4
125.09632	11.6
127.07562	2.0
128.06203	4.0
129.06972	10.5
130.99490	2.1
131.08562	16.8
133.06474	5.3
133.10109	15.4
135.08061	14.3
135.11670	9.5
137.09618	2.7
143.08537	11.4
145.06447	3.1
145.10123	22.9
147.08044	16.2
147.11647	6.6
149.09589	12.4
149.13251	3.6
151.11253	3.0
153.09111	6.7
153.12622	4.3
155.08591	3.7
157.10121	6.8
159.08038	2.6
159.11688	5.6
161.09610	10.2
163.11194	11.4
165.09105	5.3
169.10085	5.8
171.11658	4.2
173.09647	5.6
173.13271	2.9
175.11215	3.1
177.12749	4.7
178.08624	2.3
181.12215	5.3
183.11711	2.7
185.13237	5.1
187.11224	3.9
189.11209	14.5
191.10605	5.6
193.12265	6.2
195.11832	3.2
195.13774	3.9
199.14818	2.4
202.15889	6.6
203.14290	2.6
209.11649	2.8
217.15898	5.2
218.08110	6.5
223.13240	8.5
227.12790	4.3
236.09076	4.9
245.19205	5.1
249.14893	7.0
255.17413	5.7
273.18451	43.2
275.20016	4.6
289.17938	8.9
291.19522	100.0
292.19696	3.0
300.13596	7.4
309.20886	3.6
316.05798	9.4
447.18372	2.7
467.31219	5.1
485.32770	5.1
593.24078	3.7
594.50458	2.3
635.24628	6.1
645.63678	2.3
652.40747	12.1
653.26184	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	653.2966
Annotation	Haplophytine
Peak:m/z	Relative Intensity
55.00508	0.5
69.29662	5.0
154.88028	0.5
205.77068	0.6
219.50230	0.5
221.11024	0.6
253.83232	0.6
270.03922	0.6
298.13522	0.7
375.16217	0.7
376.16876	0.6
377.17706	1.2
389.18060	0.8
390.18555	0.9
391.19083	5.8
392.20093	2.4
392.58810	0.6
404.20114	1.0
405.20758	9.3
406.21548	9.1
406.92532	0.6
407.22342	1.1
409.96460	0.6
415.19333	0.6
417.21033	1.0
418.21606	0.8
419.22461	3.8
420.23071	6.5
421.17447	1.1
421.23837	12.2
428.91385	0.5
432.23331	0.8
433.19513	4.8
434.24564	1.5
435.18176	1.2
436.18552	3.3
437.19434	0.8
445.20270	1.2
447.21878	1.7
449.19962	1.7
449.27423	0.8
450.20569	2.9
451.21310	1.4
452.21948	2.7
460.22742	2.7
461.23615	0.8
462.20303	0.5
463.21484	1.2
464.21701	1.3
465.22867	42.8
466.23187	1.1
473.19339	2.6
475.25189	1.8
477.26810	1.2
478.23779	1.4
479.24429	8.5
480.25229	4.4
487.21368	2.5
488.22098	4.8
491.21210	2.0
492.21716	2.3
501.23151	2.0
503.24414	52.3
504.24799	1.8
505.22214	1.6
507.27585	4.3
533.25397	1.1
534.23035	0.8
535.27057	45.1
536.27844	1.2
551.26489	6.2
561.25092	4.0
566.28857	1.5
579.26001	40.3
580.26678	1.4
593.27917	2.3
594.28296	20.7
621.27032	24.7
622.28101	0.8
653.29681	100.0
654.29950	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	652.4416
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67057	0.8
53.03927	2.4
55.01878	5.1
55.05280	1.1
55.05512	16.7
55.06781	0.9
57.03426	1.5
57.07063	1.2
59.04964	0.8
67.05499	13.2
69.03417	3.2
69.07070	6.1
69.42041	8.1
71.04978	1.8
71.16418	0.9
79.05489	23.3
79.27699	0.8
81.03416	4.5
81.07051	48.8
83.04970	8.1
83.08619	10.3
85.02892	1.5
85.06526	1.0
91.05472	12.2
92.76510	0.9
93.07035	13.2
95.04969	12.5
95.08604	9.8
97.06510	3.7
97.10161	12.3
105.07020	11.9
105.33379	0.9
107.04954	7.8
107.08592	11.2
109.06519	7.4
109.10143	6.3
111.04436	6.0
111.08054	3.6
117.07012	9.3
119.04958	0.9
119.08580	18.9
120.62963	0.8
121.06509	7.3
121.10126	7.6
123.08062	8.3
124.99940	1.5
125.09627	11.3
126.15080	0.9
128.06210	1.1
129.07007	4.9
131.08560	8.9
133.06482	3.0
133.10106	5.7
135.08023	3.7
135.11656	3.9
137.09579	3.4
139.11198	1.5
139.79666	1.1
141.06961	0.9
143.08536	3.9
144.08057	3.4
145.06485	1.0
145.10115	10.4
147.08047	9.4
147.11700	2.4
148.25885	0.9
149.09579	4.5
153.09058	3.1
153.12761	1.8
155.08553	2.9
155.48692	0.9
157.06508	0.9
157.10098	3.3
159.08012	1.5
159.11673	3.2
161.09596	8.0
163.11183	9.1
165.09074	3.9
167.08516	1.0
169.10010	1.1
171.10289	1.0
171.11679	1.9
173.09607	1.9
173.13136	1.5
175.11263	2.0
177.12723	1.7
181.10133	1.1
181.12210	5.2
184.07327	1.8
185.09637	1.1
185.13190	1.9
187.11316	1.3
189.11214	11.8
191.10681	5.0
191.12175	0.9
193.12215	1.5
195.11742	1.3
199.11234	1.3
200.07062	0.9
203.14299	1.0
209.11673	1.4
213.12570	0.9
218.08099	1.7
223.13292	4.8
227.12706	5.7
231.17050	0.9
232.09636	5.3
237.16435	1.2
245.19026	3.5
249.14847	2.7
255.17432	3.2
263.20175	1.5
273.18469	34.0
291.19528	100.0
292.19870	2.0
309.20505	8.9
316.05746	3.2
329.05502	1.0
330.07349	8.3
418.35672	1.0
473.93427	1.0
581.38031	2.6
653.25531	1.4
677.55109	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	8.7
57.03435	2.9
61.02934	4.6
65.03938	3.2
69.03426	13.4
69.80200	14.6
71.01353	5.9
73.77303	3.1
79.05483	8.3
81.03414	12.2
83.01343	4.9
85.02901	25.2
91.05453	15.5
95.01325	49.0
95.04956	7.1
97.02872	15.0
98.21592	4.1
103.05456	6.6
105.03397	5.2
105.07016	6.7
107.04943	5.9
109.02898	6.9
111.00774	3.3
111.04436	4.5
113.02378	6.2
115.05444	15.7
117.07010	25.8
119.04941	5.1
121.02866	2.7
123.04432	5.4
127.03892	2.8
128.06198	17.3
129.01811	3.4
129.06999	53.2
131.04907	17.3
131.08542	5.2
133.02829	5.1
133.06499	10.9
135.04453	18.5
137.02386	4.1
138.51338	2.7
139.03909	14.7
139.05453	3.9
141.01854	14.6
141.06976	16.9
143.04922	11.3
143.08542	6.1
145.02841	17.1
145.04857	3.4
145.06497	33.0
147.04395	7.8
147.08047	10.4
149.02379	9.5
151.03867	22.2
152.06094	3.4
153.06969	12.4
155.04910	22.9
155.05986	3.5
155.08621	4.8
156.05846	3.2
157.06474	44.1
159.03122	3.1
159.04395	14.9
159.08051	9.5
161.02406	3.4
161.05991	6.7
163.03879	6.9
165.05521	6.9
165.07016	10.1
167.03604	3.2
167.04938	6.9
167.08571	4.8
167.44737	2.9
168.05563	2.8
169.06458	20.1
171.04378	15.2
171.08043	5.5
173.05948	36.3
175.03860	13.4
175.07507	15.4
177.03961	11.9
177.05449	5.5
179.08533	6.2
181.06520	11.4
183.04405	33.2
183.08032	7.0
183.75175	3.0
184.05278	6.3
185.05968	76.3
187.03815	4.2
187.07605	14.3
189.01765	3.0
189.05486	7.8
191.03401	11.2
191.07062	3.6
193.06465	4.3
195.04413	10.0
195.08037	10.8
197.02333	6.1
197.05994	19.7
199.03909	13.9
199.07597	10.8
201.05472	37.2
203.03415	3.0
203.07004	21.3
205.04823	4.2
205.06583	6.1
205.12381	2.6
207.08107	7.0
209.05994	14.9
211.03925	17.1
211.07515	9.5
213.05435	29.4
215.03424	9.4
215.07024	17.7
217.04944	10.5
217.08691	3.6
219.06474	5.2
221.06007	5.0
223.04018	3.9
223.07523	14.8
225.05446	13.7
227.07039	12.1
229.04953	30.3
229.08557	3.7
231.06482	8.6
233.06036	6.1
233.08110	9.1
234.06633	4.5
235.07587	5.8
237.05473	10.1
239.03343	5.3
239.07054	11.1
241.04939	17.7
241.08591	5.2
243.06497	34.1
245.08078	5.2
247.05952	5.7
251.07059	16.3
253.05040	7.9
255.06511	11.7
257.04361	7.3
259.06024	4.8
261.05148	4.9
261.07602	48.3
265.05096	4.4
267.06592	9.2
269.04459	9.1
269.08066	8.8
271.06039	12.5
273.07480	6.5
279.06424	9.8
283.06256	3.5
285.07620	8.3
287.05496	7.8
287.09119	4.0
289.06961	15.2
295.06000	4.6
297.07538	12.7
299.05554	6.9
299.08978	3.6
303.08667	6.8
313.07114	8.1
315.08597	9.4
317.06760	4.5
317.10211	7.7
319.08057	3.4
325.07086	9.8
329.10382	4.4
331.08105	13.9
333.09772	5.0
341.06451	8.8
343.08179	10.8
349.09195	4.9
357.09940	3.3
359.07562	44.1
361.09152	31.2
363.10736	3.0
369.05902	3.3
371.05826	3.0
375.10727	100.0
376.11148	3.2
377.08569	45.5
379.10190	15.1
387.07007	8.6
391.10208	87.5
393.11752	11.4
395.09488	14.0
397.11194	14.2
405.08157	47.9
409.11258	60.0
419.09726	23.4
423.09213	58.2
437.10782	68.2
438.11206	3.7
441.10220	14.8
454.47214	3.3
455.11752	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	651.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	14.2
55.05496	11.7
65.62533	6.5
67.05495	29.4
69.03429	13.9
69.07055	13.2
70.59122	27.1
78.87161	7.6
79.05496	20.1
81.03442	12.9
81.07049	28.5
86.09703	15.4
91.05463	8.9
93.07058	15.5
95.04976	22.6
95.08591	13.1
97.02942	9.8
98.21246	11.1
101.75780	6.5
103.05482	9.0
105.07050	9.9
107.04960	100.0
107.08622	8.0
109.02888	30.3
109.10156	7.6
121.06476	18.5
121.93771	7.2
123.04385	10.5
124.99984	10.7
139.03883	13.7
148.92148	7.0
149.05959	21.9
151.03935	12.4
158.58485	7.3
165.05467	52.0
167.07056	13.0
177.05432	44.1
184.07335	42.6
185.07910	7.3
195.06451	20.7
209.08067	26.8
210.01431	7.0
227.09056	16.0
329.76990	9.0
434.75641	9.5
651.43512	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	651.2809
Annotation	Petasiphyll A
Peak:m/z	Relative Intensity
50.24564	0.7
65.40756	0.9
67.05501	0.9
70.76307	2.4
81.07004	1.3
93.07066	0.7
95.08618	0.9
109.88609	0.9
116.27349	0.8
117.91741	0.7
184.07390	2.8
225.73531	0.7
298.13437	1.1
323.10953	0.9
385.14355	0.9
399.16043	1.6
400.16885	3.4
401.17816	5.0
403.10226	0.9
403.19406	1.2
405.20825	1.8
407.22150	2.5
413.17624	3.5
414.18539	4.8
415.19647	7.4
416.20010	1.6
417.20987	1.3
418.18719	1.2
428.19931	3.7
429.21268	8.7
430.21957	1.4
441.17560	1.2
442.17773	1.6
443.17953	3.0
443.22461	4.7
444.18701	4.2
445.20071	2.9
447.17630	1.1
455.19025	1.0
456.19513	2.2
457.20200	3.8
458.21396	4.2
459.17661	1.8
462.20782	1.5
471.22052	7.9
472.23264	4.7
473.19388	5.1
474.20419	3.1
485.19818	2.6
486.20520	6.9
487.21341	2.6
488.22241	1.1
489.23016	1.1
490.19781	3.7
499.21454	9.9
500.21747	3.6
502.20059	1.5
503.24554	5.0
516.21777	1.4
517.22369	8.8
527.20642	3.4
528.21399	1.9
530.23035	1.5
531.23828	13.2
543.23767	1.5
549.24792	6.1
559.23407	97.6
560.23700	4.3
587.13806	1.3
587.22906	18.7
592.25873	1.1
619.25507	100.0
620.26013	5.3
651.28210	15.1
651.44092	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.4385
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87414	0.1
56.05027	0.7
57.07073	0.3
58.06366	0.1
58.06618	0.4
59.07384	0.2
60.08162	6.4
63.73314	0.1
67.05523	0.7
70.06588	0.1
71.07372	3.3
79.05447	0.1
81.03426	0.1
81.07034	0.2
86.09703	31.7
87.10042	0.2
91.05459	0.1
93.33205	0.1
98.98457	2.8
104.10735	2.5
109.10138	0.3
119.74996	0.1
124.99998	21.4
143.01044	0.3
175.47131	0.1
184.07333	100.0
185.07680	0.6
263.13474	0.1
424.16299	0.2
427.89459	0.1
496.33652	0.2
650.43939	6.0
651.44122	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72549	0.3
50.98345	0.3
57.03420	1.2
60.90389	0.3
70.16158	0.8
70.16518	0.7
85.02900	25.7
91.05456	2.3
94.06519	0.4
103.03903	0.6
103.70765	0.3
106.06577	0.5
113.02345	0.9
117.05761	0.6
118.06532	3.9
119.04939	0.4
119.07340	0.4
120.08067	0.6
124.07540	0.5
131.03372	1.9
132.08090	1.0
134.09647	3.4
136.07597	2.2
146.06004	19.7
148.07549	1.6
163.03926	0.6
164.07082	1.9
165.07903	0.9
176.07097	0.3
178.08623	68.2
179.09026	1.2
180.06572	0.8
180.10152	1.5
180.21632	0.3
194.08150	0.8
196.09673	1.6
204.10129	0.4
206.08096	0.5
238.10738	6.8
268.11743	3.1
272.09250	0.7
290.10269	2.5
294.09811	0.5
295.10535	1.3
298.12839	1.3
304.11838	1.1
308.11252	12.8
309.11945	1.7
310.09180	0.8
310.12836	2.3
322.12927	0.9
324.10748	0.6
326.12381	2.4
340.13959	0.7
356.45703	0.4
368.13406	13.5
382.14835	0.4
398.14420	14.3
428.15503	15.6
434.14328	3.1
452.15436	8.1
470.16571	18.1
471.16818	0.4
488.17596	100.0
489.17987	2.4
499.83997	0.4
650.22937	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	650.4258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.9
55.01873	10.5
55.05509	20.6
67.05508	21.0
69.03419	2.0
69.07067	8.2
71.05013	3.5
71.51739	2.8
79.05494	28.2
81.03410	7.2
81.07055	46.1
83.04971	7.0
83.08615	8.4
83.78959	2.0
86.09690	5.0
91.05473	21.0
93.07043	17.8
94.07341	1.8
95.04965	16.6
95.08614	8.5
97.06533	6.1
97.10173	15.6
105.03342	2.2
105.07037	16.2
107.04945	7.6
107.08590	17.3
109.02901	2.2
109.06504	9.2
109.10130	8.6
111.04437	5.7
111.08085	4.4
117.07003	11.4
118.17840	1.8
119.08572	23.4
121.06516	7.4
121.10133	8.5
123.08058	8.1
123.11734	2.0
124.99992	4.1
125.09661	14.4
129.06972	4.0
131.08559	7.5
133.06482	4.6
133.10152	6.2
135.08026	9.1
135.11679	3.4
137.09618	3.2
141.27759	1.8
143.08514	5.2
145.06456	2.4
145.10094	11.0
147.08075	12.5
147.11676	3.6
149.09615	6.6
153.09074	4.1
155.08514	4.8
157.10170	5.3
159.08054	3.5
159.11664	3.9
161.09673	10.0
163.11195	8.3
165.09122	4.5
171.11697	4.1
173.09608	2.9
181.12213	4.1
184.07321	19.4
189.11243	12.8
189.12688	2.8
191.10699	4.5
193.12138	12.2
195.11656	2.3
213.16331	2.0
223.13237	5.3
227.12776	6.9
227.17960	1.9
245.19055	2.4
249.14836	2.6
255.17491	6.3
271.17007	4.7
273.18503	29.0
289.17981	15.8
291.19522	100.0
307.19046	3.8
309.20496	5.9
490.20572	2.7
517.22302	2.8
531.23767	3.1
559.23364	20.5
587.21533	2.4
597.37964	4.3
619.25446	23.6
651.27686	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	650.4258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.9
55.01873	10.5
55.05509	20.6
67.05508	21.0
69.03419	2.0
69.07067	8.2
71.05013	3.5
71.51739	2.8
79.05494	28.2
81.03410	7.2
81.07055	46.1
83.04971	7.0
83.08615	8.4
83.78959	2.0
86.09690	5.0
91.05473	21.0
93.07043	17.8
94.07341	1.8
95.04965	16.6
95.08614	8.5
97.06533	6.1
97.10173	15.6
105.03342	2.2
105.07037	16.2
107.04945	7.6
107.08590	17.3
109.02901	2.2
109.06504	9.2
109.10130	8.6
111.04437	5.7
111.08085	4.4
117.07003	11.4
118.17840	1.8
119.08572	23.4
121.06516	7.4
121.10133	8.5
123.08058	8.1
123.11734	2.0
124.99992	4.1
125.09661	14.4
129.06972	4.0
131.08559	7.5
133.06482	4.6
133.10152	6.2
135.08026	9.1
135.11679	3.4
137.09618	3.2
141.27759	1.8
143.08514	5.2
145.06456	2.4
145.10094	11.0
147.08075	12.5
147.11676	3.6
149.09615	6.6
153.09074	4.1
155.08514	4.8
157.10170	5.3
159.08054	3.5
159.11664	3.9
161.09673	10.0
163.11195	8.3
165.09122	4.5
171.11697	4.1
173.09608	2.9
181.12213	4.1
184.07321	19.4
189.11243	12.8
189.12688	2.8
191.10699	4.5
193.12138	12.2
195.11656	2.3
213.16331	2.0
223.13237	5.3
227.12776	6.9
227.17960	1.9
245.19055	2.4
249.14836	2.6
255.17491	6.3
271.17007	4.7
273.18503	29.0
289.17981	15.8
291.19522	100.0
307.19046	3.8
309.20496	5.9
490.20572	2.7
517.22302	2.8
531.23767	3.1
559.23364	20.5
587.21533	2.4
597.37964	4.3
619.25446	23.6
651.27686	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	649.3575
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75817	2.6
53.03944	6.6
55.05510	4.2
59.04990	2.9
67.05509	13.9
69.03435	5.3
69.64942	13.4
71.04992	2.1
78.73891	2.2
79.05495	23.2
81.03400	15.0
81.07043	11.0
91.05472	13.1
93.07028	12.7
95.01394	2.3
95.04966	22.5
95.08606	10.3
97.02888	5.1
98.86880	2.5
103.05481	7.4
105.07031	6.5
107.04958	100.0
107.08614	6.8
109.02877	46.4
109.06519	4.1
109.10184	3.8
111.04420	5.7
117.07005	6.0
119.08582	4.1
121.06519	11.6
121.10150	4.4
123.04444	4.7
125.02339	3.7
127.03901	3.0
131.04927	4.0
131.08591	8.3
133.02838	4.1
133.10121	4.2
135.04396	4.1
135.11681	2.8
139.03899	16.0
143.08563	2.9
144.99261	2.2
145.10117	3.9
149.06012	18.6
151.03886	22.4
153.05496	3.6
159.04411	2.5
165.05478	62.9
166.64124	2.1
167.05740	3.0
167.07011	16.7
173.13272	3.3
177.05464	37.3
184.07312	3.2
195.06496	12.4
199.14798	3.4
209.08076	24.4
227.09068	13.1
267.90237	2.4
303.23041	3.2
401.84772	2.8
465.51938	2.6
488.21399	2.6
517.17999	3.0
549.15778	3.0
634.80676	2.5
661.87964	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	646.4074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.1
55.01857	0.8
55.05505	3.9
57.03428	1.1
57.06797	0.8
57.07073	14.2
67.05501	10.3
69.07063	3.8
69.83066	0.6
71.08633	9.7
71.51536	0.7
79.05494	5.3
81.03418	33.5
81.07053	9.0
83.04974	1.7
83.08617	8.3
85.06510	0.5
85.10177	5.4
91.05479	6.1
93.07040	3.1
95.04967	8.7
95.08604	9.6
97.02888	0.9
97.10163	2.3
98.98427	0.6
105.07024	4.8
107.04968	2.8
107.08570	1.5
109.06518	0.9
109.10143	3.2
111.08086	1.9
112.21832	0.5
119.08582	5.4
121.06460	0.9
121.10145	1.9
123.11726	1.6
129.07002	2.6
131.08560	2.5
133.06523	1.1
133.10110	1.8
137.09625	0.8
142.07834	0.7
147.08041	0.9
147.11700	2.1
149.09589	1.8
157.10124	2.9
175.11174	1.6
193.12241	7.4
219.75212	0.7
223.25310	0.5
236.16379	4.3
239.23747	2.2
249.14857	2.5
267.16025	1.2
282.28027	1.0
313.27386	1.4
349.52100	0.6
505.38879	100.0
506.39081	3.2
556.71863	0.7
562.27155	0.7
579.71136	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3418
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43356	2.7
51.64013	2.6
53.03930	7.8
55.01856	3.8
55.05512	13.2
57.03423	4.3
57.07068	4.0
59.05005	4.5
65.03934	3.8
65.62772	2.7
67.05506	30.6
69.03414	12.4
69.07059	9.2
69.17422	32.3
71.04966	4.3
77.03925	2.6
79.05489	45.1
81.03049	2.5
81.03413	25.9
81.07045	32.9
83.04975	10.5
83.08608	6.9
85.02896	7.9
85.06514	5.9
91.05476	37.1
93.07038	38.9
95.04971	40.5
95.08619	16.3
97.02887	6.4
97.06512	8.1
97.29900	2.6
103.05469	9.1
105.04550	3.8
105.07043	32.3
107.04950	79.7
107.08582	24.1
109.02870	26.9
109.06516	9.0
109.10155	11.4
111.04459	8.7
111.08063	6.7
115.05424	4.1
117.07009	9.6
119.08572	28.6
121.06480	13.2
121.10134	16.3
123.04430	9.8
123.08031	5.9
123.11617	3.3
125.02408	3.2
125.05980	6.5
127.03857	4.5
129.06972	10.3
130.07651	3.5
131.04913	5.7
131.08568	25.0
133.06451	4.7
133.10132	22.0
135.04381	8.1
135.07983	7.2
135.11725	14.0
137.05994	4.5
139.03886	13.0
139.07561	3.8
141.06929	5.3
143.08539	11.2
145.10115	22.2
147.08006	4.2
147.11684	18.2
149.05954	13.8
149.09546	6.4
149.13278	5.3
151.03909	29.8
153.05502	3.8
155.08499	6.1
157.10182	13.5
159.08063	4.9
159.11700	16.0
161.09576	4.7
161.13269	10.7
163.11151	5.7
165.05473	100.0
165.06787	3.4
165.09113	3.4
167.07048	33.2
167.08444	4.8
167.10712	5.2
169.10120	6.7
171.11710	9.7
173.09550	4.7
173.13245	13.1
175.11160	3.2
175.14735	4.3
177.05455	24.8
179.07062	3.4
181.08511	3.6
181.10063	5.7
181.12198	4.4
183.06557	3.1
183.11653	5.3
185.09496	3.1
185.13210	6.0
193.04971	7.1
193.10208	5.2
195.06488	10.6
195.08119	3.1
195.11716	5.1
197.13326	5.2
199.14804	2.6
207.11699	4.1
209.08067	25.0
214.08713	4.1
214.94920	3.0
221.13362	4.0
221.15370	4.4
222.65300	2.8
223.14822	5.3
225.05432	2.9
227.09111	4.3
231.11534	3.5
237.12788	3.2
241.19412	5.5
253.19658	3.6
257.18970	4.3
259.20557	12.1
261.21979	3.6
263.14328	2.9
271.20132	3.0
275.20026	7.8
289.21548	4.8
300.85129	4.0
301.21555	6.3
303.23251	3.1
312.06357	3.4
313.21741	4.3
339.23135	2.8
349.21390	3.6
367.22736	8.9
379.34113	3.2
385.23502	12.9
403.24826	18.6
417.24060	4.6
421.25974	18.2
435.25244	3.5
571.21887	3.3
647.42889	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	645.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	7.4
55.05502	22.5
65.53682	4.1
67.05507	36.2
69.03431	4.8
69.07062	15.1
70.06592	4.2
70.91509	6.7
70.91839	5.4
74.23746	4.2
79.05498	34.4
81.03423	10.7
81.07056	36.3
83.04980	8.8
83.08625	8.2
85.02908	5.4
86.09643	4.5
89.03908	4.6
91.05483	32.7
93.07030	30.5
95.04968	20.0
95.08586	22.1
97.06503	13.8
97.10200	5.5
105.07036	27.0
107.04950	17.0
107.08627	19.8
109.06506	14.2
109.10168	9.7
111.04433	8.7
115.05458	6.2
117.03332	4.5
117.07047	19.8
119.04950	4.7
119.08578	27.0
120.08068	5.3
121.06506	12.5
121.10126	6.4
122.07255	5.1
123.08083	4.6
128.06285	5.8
129.06993	12.3
131.08549	27.0
133.06462	6.6
133.10112	17.9
135.04457	5.5
135.07990	11.3
135.11673	7.6
142.07826	5.2
143.08569	9.6
145.02864	7.0
145.06477	11.0
145.10115	17.9
147.08023	7.8
149.09593	10.9
149.13240	4.8
157.10057	9.9
159.04445	4.7
159.07994	4.3
159.11708	7.9
161.02316	4.5
161.09602	11.9
163.03918	52.0
163.11168	12.4
171.04535	3.9
171.11684	6.3
173.02371	18.1
173.09537	4.6
175.03993	4.9
175.11198	7.9
177.12741	16.5
181.06421	6.5
195.08093	4.6
197.06061	6.1
199.03987	9.6
199.11183	7.4
199.14870	4.5
203.06985	5.6
211.07524	4.3
213.05536	8.9
241.08575	14.2
245.18982	6.6
255.17429	10.0
257.21426	5.3
271.17047	8.1
273.18497	47.7
274.19403	4.8
288.34912	4.2
291.19443	15.1
292.20065	5.0
339.15881	10.9
367.15503	8.2
389.20847	4.8
391.22729	4.3
399.19269	5.3
407.22113	8.0
417.20618	28.6
417.38184	4.1
435.21683	100.0
441.15494	4.4
453.22864	26.0
609.26276	6.4
645.28772	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	645.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	10.5
55.01866	6.3
55.05506	21.3
56.23671	7.3
57.03425	5.4
58.43565	5.3
62.54266	6.1
67.05508	31.2
69.03418	8.1
69.07051	16.0
69.77487	36.3
77.23826	5.1
79.05492	51.7
81.03397	15.2
81.07063	100.0
83.04989	9.9
83.08613	13.3
84.08130	5.9
85.57406	5.1
87.90528	6.0
91.05471	26.9
93.07038	43.6
95.04971	32.1
95.08614	15.6
97.06530	10.3
97.10178	8.2
102.11653	5.8
105.07055	32.0
107.04937	20.4
107.08586	20.5
109.06528	36.7
109.10177	10.3
117.07001	19.9
119.08585	30.0
121.06501	10.9
121.10134	31.6
122.43713	5.5
123.08050	14.4
124.19270	6.1
125.00004	6.1
125.09636	8.0
129.06995	12.0
131.08545	27.0
133.02837	6.7
133.10139	13.1
135.04422	8.1
135.08038	12.1
143.08546	16.7
145.10097	22.6
147.08087	12.0
149.05959	7.4
149.09633	15.2
149.12202	6.6
155.08492	6.2
159.04460	7.8
159.11725	8.9
161.09612	16.8
163.03864	45.5
163.11169	13.2
164.53371	6.6
173.02322	14.4
173.05988	7.7
173.09709	9.1
179.63058	6.0
187.03883	6.5
199.07649	6.0
211.07503	7.8
213.05447	18.0
227.07024	7.0
230.22218	6.0
255.17447	8.6
267.13583	10.1
273.18484	50.6
291.19510	39.8
311.12851	10.7
335.20679	6.9
389.21463	8.2
391.22580	9.7
405.80774	7.0
407.22021	12.3
417.20618	22.1
435.21686	92.9
453.22775	34.7
480.28900	6.4
504.89929	6.8
645.34106	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	645.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28746	1.2
53.03942	2.0
55.01866	4.4
55.05266	2.0
55.05513	21.1
57.03426	2.4
58.97732	1.1
62.11958	1.1
63.45958	1.3
65.03959	3.2
67.05186	1.9
67.05508	23.1
68.99777	2.1
69.03410	4.2
69.07067	8.5
71.04993	2.0
71.51479	1.7
77.03904	1.5
79.05492	22.9
81.03405	8.0
81.07058	22.6
83.04977	11.2
83.08639	10.8
84.30122	1.2
85.02892	4.5
85.06521	1.9
89.03942	2.2
91.05484	23.1
93.03404	1.7
93.07032	19.2
95.04967	100.0
95.08608	13.8
97.06515	5.9
97.10171	9.4
105.03400	4.1
105.07034	16.7
107.04955	15.6
107.08588	10.5
108.05748	2.6
109.02843	1.3
109.06519	5.7
109.10145	7.7
111.04453	6.5
111.08054	2.1
115.05449	1.9
117.07026	9.5
117.07748	1.6
118.27879	1.2
119.04930	2.9
119.08580	15.8
121.06499	16.4
121.10135	8.8
123.04417	3.4
123.08063	7.8
125.06143	1.4
125.09619	6.5
128.06224	2.6
129.06999	5.8
131.04933	3.8
131.08566	12.1
133.02844	11.9
133.06490	5.1
133.10114	9.5
135.04451	3.4
135.08046	5.2
135.11685	5.8
135.12656	1.3
139.03896	1.6
141.06995	1.6
143.04913	1.3
143.08562	6.2
145.02863	2.5
145.06454	2.5
145.10112	9.0
147.04343	2.3
147.08051	10.9
149.09587	6.2
149.13264	1.7
151.03900	4.2
151.11275	1.4
153.09103	1.8
157.06503	2.6
157.10118	5.3
159.04424	4.4
159.08011	1.5
159.11641	8.7
161.02324	10.5
161.09624	8.0
162.10388	4.7
163.03894	8.8
163.11183	27.8
169.10123	3.1
171.04424	2.8
173.02376	8.5
173.11740	1.2
173.13318	1.5
175.11226	4.3
176.11966	2.1
177.05399	1.4
177.12732	6.6
179.03407	11.3
183.04387	1.3
183.11604	2.0
184.07372	3.0
185.05981	4.0
187.03899	4.8
187.11157	2.7
189.11230	2.7
189.12819	1.9
191.03410	5.8
193.12302	2.4
195.11739	3.0
197.05966	1.6
199.03864	3.7
199.07494	1.9
203.06967	2.6
203.14497	2.4
205.12230	7.2
213.05453	6.6
217.04886	2.0
222.12398	2.4
223.13292	43.6
225.05453	1.8
226.06163	1.7
227.07065	3.0
227.17844	1.7
231.64381	1.4
239.03358	5.1
239.07027	1.8
241.04982	3.8
245.15446	3.2
245.19038	1.8
249.14842	5.1
255.06552	4.1
257.04465	5.8
263.16437	4.9
263.20169	2.4
267.06494	3.0
267.10114	1.6
273.18555	12.4
274.19290	4.5
275.20053	9.6
281.11475	1.3
291.19559	6.8
292.20282	8.5
293.21179	4.3
321.40863	1.5
337.14291	4.5
365.13733	20.9
367.15622	2.4
383.14905	43.2
401.15845	3.1
407.22379	2.2
417.20389	1.7
435.21683	96.2
436.21771	2.9
453.22723	92.4
454.22955	2.7
471.23950	3.0
484.42902	1.3
557.20270	1.9
575.21143	10.8
609.26538	2.2
627.27124	3.7
645.28784	24.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28870	4.5
55.01875	7.3
55.05511	29.9
57.03417	6.4
59.05006	5.3
65.03915	4.8
67.05514	37.6
69.03416	7.2
69.07056	14.6
69.50713	42.0
70.13043	4.5
75.04468	21.7
79.05493	30.9
81.03410	9.6
81.07044	35.3
83.04989	11.9
83.08635	10.8
83.26015	5.1
86.90987	4.5
91.05486	34.5
93.07056	32.1
95.04964	79.4
95.08598	26.6
97.06538	9.9
98.20718	5.0
98.84424	5.0
105.07037	29.4
107.04955	13.2
107.08591	21.5
109.06516	10.1
109.10144	21.4
117.07011	19.1
119.08587	30.9
121.06523	11.0
121.10145	21.1
123.08035	9.4
129.06972	13.9
131.08557	27.1
133.02763	6.1
133.06519	5.4
133.10143	25.1
135.08058	9.0
138.83701	4.9
143.08566	10.0
145.10114	19.7
147.08049	10.2
147.11710	8.9
149.09616	14.0
151.11142	5.2
157.10074	7.8
159.11652	15.5
161.02370	17.4
161.09586	10.5
163.03864	8.3
163.11186	26.4
168.44089	4.5
169.10249	5.5
171.11806	6.4
173.02345	14.8
173.09731	4.9
173.13246	18.5
175.11282	4.9
175.14746	6.1
177.12733	9.4
184.07297	14.2
187.11046	5.8
189.12711	10.4
193.12126	6.5
197.05911	4.4
213.05473	9.0
223.13266	33.8
223.16917	34.1
235.85915	5.9
257.70370	5.2
263.20038	19.4
273.18463	16.5
274.19083	6.0
275.20117	9.4
291.19559	10.5
324.52328	4.6
334.17990	4.8
337.14236	7.2
365.13913	26.1
376.72360	5.3
383.14844	40.7
406.45987	5.3
435.21643	100.0
453.17096	5.6
453.22839	60.0
645.34851	9.0
645.45636	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	645.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	3.4
55.05517	7.4
57.03426	1.1
65.03949	1.5
65.07099	0.9
66.59708	1.1
67.05503	15.7
69.03423	2.2
69.07079	6.8
69.41649	8.8
71.04989	1.6
79.05496	20.8
81.03418	3.1
81.07053	24.2
82.52066	0.9
83.04984	2.7
83.08614	2.4
87.96129	1.0
89.03924	1.5
90.06821	1.1
91.05477	19.5
93.07047	17.6
93.42577	1.0
95.04964	6.5
95.08598	9.4
96.05743	1.8
97.06519	3.5
97.10152	1.6
103.05524	1.5
104.06251	1.8
104.35751	1.0
105.07030	14.8
107.04967	6.9
107.08591	9.5
109.06512	8.0
109.10154	3.6
115.05443	1.8
117.03355	1.2
117.07034	11.5
118.07791	1.5
119.04956	1.4
119.08563	10.1
121.06516	6.7
121.10168	7.3
123.04516	1.1
123.08092	3.4
123.11729	1.2
125.09597	1.2
128.06204	1.8
129.06995	7.1
130.07800	2.1
131.04903	2.1
131.08582	17.8
132.09305	2.2
133.02846	3.0
133.06517	5.6
133.10136	8.1
135.04381	1.3
135.08028	3.9
135.11668	3.1
141.07028	2.6
143.04898	1.2
143.08543	6.5
144.09291	1.4
145.02869	1.4
145.06528	3.5
145.10129	11.5
146.10880	4.3
147.04402	2.6
147.08041	7.2
147.11691	4.5
149.09639	5.1
155.08521	1.6
157.06477	3.0
157.10143	3.8
159.04379	2.4
159.08119	2.4
159.11702	6.7
161.02341	4.8
161.05988	1.3
161.09641	5.5
163.03893	10.1
163.11203	4.2
165.05484	1.9
169.06490	1.6
169.10107	1.9
171.11729	3.9
173.02338	10.4
173.05988	3.0
173.09598	2.3
173.13214	1.1
175.03845	1.1
175.11200	2.8
175.14900	1.6
185.06047	1.8
185.13223	2.4
187.03911	5.5
187.11176	1.4
189.05467	1.2
189.12772	1.7
191.10603	1.2
195.08040	1.3
195.11649	1.2
197.06023	2.0
199.02257	1.1
199.03856	5.7
199.07527	1.2
199.14842	1.5
211.07584	2.2
213.05461	2.5
215.03575	1.5
223.07578	2.3
225.05534	4.3
227.06947	1.2
227.17921	1.2
237.05363	5.5
237.09215	1.3
238.06264	1.4
239.04785	1.1
239.06960	2.3
245.15401	1.4
245.19096	2.0
249.05576	2.4
249.18643	1.1
251.07085	4.0
255.06416	1.1
255.17493	2.5
256.18262	2.2
263.07132	3.4
265.08649	3.3
273.18488	11.1
274.19290	10.3
275.19995	1.4
277.08563	1.7
291.10364	1.5
291.19464	4.3
293.11618	1.1
304.10626	1.1
305.11752	1.8
315.32266	1.0
321.14877	2.4
335.19577	1.1
341.02679	1.0
349.14270	4.4
353.19901	1.4
367.15344	6.4
373.21521	1.1
379.15298	9.6
389.21436	1.7
391.22720	3.5
399.19742	1.3
407.22269	2.7
417.20584	28.0
435.21692	100.0
436.22009	2.7
453.22821	4.0
554.44757	1.1
627.27563	3.4
627.39691	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.2
55.01867	7.0
55.05513	21.2
57.03440	1.7
59.04999	1.9
65.03935	3.8
67.05501	27.1
68.99785	3.8
69.03416	3.9
69.07057	8.3
71.04993	3.3
71.51883	2.7
79.05083	1.3
79.05489	29.9
81.03404	9.5
81.07052	24.7
83.04982	11.9
83.08611	9.2
85.02902	5.5
85.06537	1.7
89.03954	1.7
91.05466	20.6
93.03378	2.0
93.07045	19.1
95.04962	100.0
95.08600	14.3
97.06522	6.7
97.10166	7.0
105.03382	4.6
105.07030	15.9
107.04934	18.4
107.08601	12.0
108.05759	2.2
109.02887	2.4
109.06522	8.4
109.10154	6.4
111.04427	10.6
111.08080	3.1
115.05532	1.8
117.07005	10.5
119.08575	13.6
121.06494	13.1
121.10139	9.4
123.04430	5.0
123.08054	6.7
125.09610	5.1
129.05516	2.0
129.06958	5.1
131.04927	4.4
131.08585	10.9
131.09404	1.8
133.02844	13.5
133.06464	2.9
133.10104	8.0
135.04442	5.1
135.08046	7.4
135.11668	7.1
139.03894	3.7
143.08543	5.2
145.06477	2.6
145.10095	14.6
147.04427	3.8
147.08055	9.4
147.11693	4.5
149.09605	7.8
151.03867	3.3
157.06514	2.8
157.10130	4.9
159.04405	5.5
159.11658	9.6
161.02330	9.1
161.09607	6.4
162.10382	2.8
163.03873	11.1
163.11176	24.2
165.07027	1.6
166.99277	1.5
169.10133	2.2
171.04445	2.1
171.11670	2.7
173.02324	3.5
173.06026	2.4
173.81244	1.9
175.03920	2.4
175.11227	5.0
175.14795	1.9
177.05418	3.6
177.12718	6.3
179.03371	15.0
185.05957	5.7
185.13329	2.9
187.03812	1.9
187.11189	5.3
191.03447	4.1
193.12042	2.1
197.06044	2.7
199.07542	2.1
203.07047	4.1
205.12228	7.2
213.05470	6.6
215.03432	2.1
217.04977	2.6
222.12483	2.9
223.13283	49.7
223.15460	2.8
227.07043	2.7
239.03400	4.9
241.04884	1.9
245.15276	2.1
249.14825	5.7
251.06786	2.8
255.06546	3.4
255.17383	3.3
257.04483	8.0
263.16434	4.9
267.06558	3.0
273.18524	7.4
274.19318	4.6
275.20181	8.5
276.20624	1.7
291.19534	5.5
292.20319	4.6
293.20993	5.4
294.86179	1.8
337.14316	5.5
365.13821	21.1
381.78036	2.4
383.10300	2.7
383.14835	37.2
385.08908	2.6
389.21173	1.9
399.80637	1.7
401.16010	6.8
417.20709	3.9
435.21634	86.3
453.22702	74.7
471.23581	4.0
575.12885	2.3
575.21191	23.4
627.28381	2.1
645.18695	2.7
645.28857	41.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.2
55.01860	0.5
55.05492	0.5
60.23676	0.1
65.03919	0.2
67.01841	0.2
67.05502	1.8
69.03416	0.5
69.07068	1.1
70.06590	0.2
70.91055	0.1
79.05495	1.1
81.03427	0.8
81.07053	1.9
83.04962	0.7
83.08612	0.4
85.02889	0.3
89.03973	0.1
91.05476	1.0
93.07050	0.9
95.04976	0.9
95.08600	0.6
97.02885	0.3
97.06517	0.6
97.10162	0.3
103.05472	0.3
105.07001	0.8
107.04946	0.5
107.08571	0.7
109.02862	0.4
109.06496	0.4
109.10146	1.4
111.04410	0.7
111.08027	0.3
115.05463	0.3
117.06989	0.4
119.08566	0.7
120.08102	0.1
121.02891	0.2
121.06467	0.4
121.10136	0.4
123.04392	0.3
123.08002	0.2
125.09583	0.2
127.03944	0.2
128.06192	0.3
129.06972	0.6
131.04936	0.3
131.08569	0.4
133.06499	0.2
133.10098	0.5
135.04388	0.2
135.08008	0.2
135.11688	0.2
137.06001	0.3
137.09613	2.2
139.03844	0.2
141.06982	0.2
143.08528	0.5
145.06468	0.3
145.10121	0.7
147.04454	0.3
147.07971	0.2
147.11685	0.2
149.05978	0.6
149.09634	0.3
151.03877	0.4
153.01807	1.1
155.05998	0.2
155.08571	0.2
157.06541	0.3
157.10167	0.2
159.08063	0.2
161.05916	0.4
161.09621	0.4
163.03885	0.6
163.07584	0.2
163.11151	0.3
165.05426	0.2
165.09113	1.9
167.07086	0.7
167.08386	0.3
168.05582	0.2
169.06421	0.3
169.10089	0.3
171.02869	0.6
171.08011	0.3
171.11713	0.2
173.05972	0.9
173.09573	0.3
175.03873	0.5
175.07608	0.2
179.08484	0.3
181.04955	0.4
181.06488	0.4
181.12134	0.1
184.07376	0.2
187.07507	0.3
187.11256	0.3
189.09103	0.1
191.06979	0.3
191.08546	0.3
193.06441	0.2
193.10173	0.2
193.12141	0.3
195.08003	0.4
197.06013	0.3
197.09599	0.5
199.07512	0.6
199.11163	0.4
201.09097	0.4
201.11076	0.2
203.08638	0.2
203.10565	0.2
207.08089	0.2
207.11707	0.2
209.05988	0.2
209.09743	0.2
210.06731	0.2
211.07542	0.6
211.28069	0.2
212.08423	0.1
213.05446	0.2
213.09039	0.2
215.06970	0.2
215.10678	0.4
219.08124	0.2
219.11662	0.3
220.08621	0.1
221.09506	0.2
223.07512	0.5
223.11160	0.3
223.13048	0.2
224.08223	0.2
225.05562	0.2
225.09100	0.8
227.06944	0.3
227.10703	0.4
227.12802	0.2
229.04858	0.3
233.09749	0.2
235.07518	0.4
235.11188	0.3
236.08345	0.3
237.09062	0.5
237.14890	0.2
239.10632	0.3
241.04938	0.2
241.08742	0.3
243.10072	0.3
247.11415	0.2
249.09091	0.5
250.09958	0.2
251.10648	0.6
253.08655	0.3
253.12245	0.2
255.06451	0.3
255.10184	0.3
258.05228	11.5
263.07019	0.2
263.10870	0.3
265.12271	0.3
267.10007	0.2
271.06006	3.7
277.12399	0.2
281.11752	0.3
286.04706	33.5
287.05466	1.6
291.13715	0.2
301.07050	100.0
302.07355	1.7
327.14337	0.4
343.08102	0.3
361.21585	0.3
363.19431	0.2
371.19980	0.2
379.22714	0.6
389.21027	1.6
393.20676	0.3
407.22159	3.1
409.23746	0.2
411.21594	0.7
413.60803	0.1
417.20657	1.3
425.23285	0.7
435.21674	3.6
453.22678	2.4
463.12085	0.2
563.26129	0.3
581.26776	0.2
591.25568	0.3
609.26941	1.3
627.27850	0.6
645.20233	0.3
645.29456	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.9
55.05506	3.9
57.03430	5.1
59.40536	0.6
61.02924	5.0
67.05506	6.9
69.03419	2.6
69.07062	1.7
70.17632	2.2
70.18060	1.3
71.04990	1.9
73.02907	1.8
79.05494	8.1
81.03416	22.9
81.07056	8.1
83.04976	4.4
83.08156	0.8
83.08623	9.3
85.02906	16.3
85.06541	0.8
91.03951	5.5
91.05481	10.6
93.07028	5.5
95.04961	9.0
95.08603	3.2
96.90678	0.7
97.02903	4.4
97.06529	2.5
97.10165	1.3
105.07027	6.6
107.04939	3.4
107.08620	1.3
109.06516	2.6
109.10136	1.8
111.04471	0.9
111.08088	4.3
115.05439	0.7
118.09231	0.7
119.08578	6.0
121.10119	3.5
123.08064	1.0
123.11676	0.8
127.03912	2.1
129.06960	3.1
131.08592	4.2
133.06511	1.8
133.10138	3.7
137.05952	0.9
142.07787	1.2
145.04968	2.2
147.08060	1.4
147.11696	6.3
149.09599	2.7
157.10132	5.4
163.06050	2.8
165.05513	1.2
165.12732	2.6
165.14055	0.7
167.07097	0.7
172.61237	0.7
175.11145	4.8
193.08589	1.2
193.12244	21.3
193.54489	0.7
209.08061	2.3
211.09662	2.6
211.13281	18.8
267.15945	7.6
285.16965	100.0
286.17203	2.2
375.68582	0.8
429.20859	1.2
447.22308	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	643.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01827	0.4
55.05448	0.7
67.05421	1.9
69.07018	1.0
69.18305	4.3
75.18181	0.4
78.59627	0.4
79.05405	1.3
79.05795	0.4
81.03368	0.5
81.07056	1.9
82.07295	0.4
83.08583	0.5
91.05396	1.0
93.06940	1.7
95.04874	0.5
95.05405	0.4
95.08510	1.0
105.06942	1.3
107.08514	1.1
118.99065	0.4
119.08495	0.7
121.10027	0.8
131.08435	0.5
133.10054	0.9
180.81906	0.4
204.04124	0.4
205.31053	0.5
220.03723	0.5
246.05243	0.5
277.21426	0.7
335.25897	0.4
396.12158	1.4
397.12921	1.6
398.13800	0.5
409.13138	0.7
410.13559	2.3
411.14560	6.0
412.15305	3.5
413.16031	2.7
423.09891	0.6
423.14679	1.7
424.10867	1.2
424.16193	2.6
425.16193	13.0
426.16898	8.2
427.17508	1.7
428.18738	1.8
437.16513	0.8
438.12247	3.5
439.13501	14.4
440.19147	4.4
441.19293	36.9
442.19482	1.7
443.17398	0.4
451.18185	0.7
452.14502	4.3
453.15335	16.7
454.16110	4.3
457.14865	0.6
463.14001	1.1
466.11951	0.9
467.17172	25.8
468.17914	16.0
469.18881	10.4
470.19360	0.5
471.16516	0.6
472.17242	0.8
480.16736	1.3
481.14700	12.8
482.15240	3.3
484.17142	0.6
485.18417	1.4
486.19336	0.4
494.15176	0.5
495.15527	2.6
496.17169	16.4
497.17773	2.4
498.18863	1.1
499.20416	0.8
508.19547	1.1
509.18237	2.4
512.20215	1.1
513.21582	0.6
514.22430	2.7
522.17987	0.7
523.19580	1.2
527.23676	2.7
537.19647	1.3
539.19220	0.7
540.19989	0.6
542.21417	1.1
545.24280	0.5
545.38300	1.7
555.22400	34.3
556.22583	1.4
568.19312	0.8
573.97687	0.4
583.21893	100.0
584.22229	3.6
586.20984	0.7
587.24878	2.3
611.21429	1.4
614.23535	1.1
615.24512	14.5
643.23926	68.0
644.24536	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	643.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71954	0.1
53.03917	0.1
55.01870	0.1
55.05485	0.1
55.81190	0.1
56.60387	0.1
64.19305	0.1
65.03938	0.3
66.04330	0.1
67.01855	0.4
67.05482	0.3
68.99802	0.3
69.03408	0.3
69.19827	1.0
71.04967	0.1
78.04710	0.1
79.05473	0.5
81.03407	0.8
81.07044	0.4
83.04980	0.3
83.08610	0.1
84.34783	0.1
85.02878	0.3
89.03904	0.1
90.41112	0.1
91.05476	0.8
93.07046	0.2
95.04935	0.3
97.02881	0.2
97.06523	0.4
103.05463	0.3
105.07016	0.3
107.04939	0.3
107.08582	0.1
109.02855	0.3
111.04443	0.1
111.08043	0.1
115.05435	0.2
117.07001	0.4
119.04935	1.4
119.08554	0.2
121.02868	0.6
123.04401	0.3
124.05159	0.2
125.05975	0.1
127.03866	0.4
129.01846	0.2
131.04909	0.4
131.08612	0.1
133.02792	0.1
133.06496	0.2
133.10121	0.2
137.05940	0.2
143.04782	0.1
145.02829	0.7
145.06488	0.5
147.04276	0.1
147.11684	0.1
148.05197	0.2
149.09633	0.1
153.01813	4.5
153.05287	0.1
155.05963	0.1
157.10101	0.1
159.07980	0.1
161.05952	0.1
163.03893	0.6
163.07545	0.3
163.11208	0.1
165.05475	0.1
167.07025	4.5
168.07365	0.1
169.06386	0.1
171.02884	1.0
171.06488	0.2
173.05969	0.8
175.07668	0.1
175.11217	0.3
177.05431	0.1
179.07047	0.1
181.04941	2.5
181.06506	0.2
185.05898	0.1
185.42624	0.1
187.04025	0.1
187.07336	0.1
191.07039	0.9
193.04872	0.1
193.12213	0.6
195.06566	0.1
197.06009	0.1
202.05914	0.1
203.07037	0.3
205.08571	0.1
207.10417	0.1
208.07083	0.1
211.13280	0.9
217.08569	0.1
225.05441	0.4
225.07565	0.2
229.04930	0.4
233.08086	0.3
235.09631	0.2
237.09361	0.1
243.06508	0.3
263.09103	0.3
267.10321	0.1
271.05978	100.0
272.06311	1.3
283.05792	0.1
283.09308	0.1
293.47379	0.1
295.09851	0.1
301.07123	0.2
313.07053	0.1
385.12686	0.2
387.14276	0.3
417.15375	1.8
433.20175	0.2
451.21136	0.2
463.17224	0.1
625.22693	0.1
643.24097	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.2
55.01862	1.2
55.87223	0.6
65.03944	2.8
67.05482	2.1
69.03403	1.1
69.09673	0.5
70.06596	0.8
70.24335	2.1
75.30615	0.7
78.04697	2.5
79.05495	3.5
81.03423	1.6
81.07059	1.2
82.04184	1.7
85.02902	2.9
89.03884	0.5
91.05482	3.8
93.03369	1.1
93.07050	1.0
95.04951	2.3
97.06525	1.3
103.05475	3.9
103.96674	0.6
105.06988	1.0
106.04157	1.9
107.04959	5.0
110.03676	1.3
111.04428	1.0
115.05462	5.1
117.07019	9.4
119.04939	0.5
119.08547	0.6
121.06520	3.3
123.04425	8.8
124.05180	3.3
125.06071	1.1
127.05425	1.3
128.06201	0.6
130.04024	0.7
131.04935	3.1
134.03650	1.0
135.04413	0.6
137.05986	2.7
140.04703	0.6
142.02617	1.1
143.04942	1.2
144.05794	0.6
145.02742	0.7
145.06488	13.5
147.04407	0.8
147.08047	1.2
147.87599	0.5
148.05135	0.7
149.06003	3.7
151.03920	2.0
151.07524	1.0
152.04695	3.0
153.05486	2.7
155.06023	3.8
155.07106	1.0
159.04378	0.9
160.05142	1.0
161.05994	1.8
163.03876	1.4
163.07509	0.9
163.11194	0.7
165.05498	1.6
167.07042	100.0
168.07397	1.3
171.06555	2.0
173.05989	23.3
174.06506	1.1
175.07556	1.9
177.05525	4.5
181.04962	50.0
191.07036	4.1
192.07858	0.8
193.04973	0.7
195.06570	0.8
201.05457	0.8
203.06879	2.7
205.08578	7.0
207.06461	0.8
207.10185	0.7
209.08107	3.4
209.15454	0.6
217.08682	0.8
219.06461	0.7
225.07561	0.7
227.12897	0.9
231.06371	0.6
233.08061	6.1
235.07527	0.9
235.09645	7.6
250.06216	0.6
265.08664	1.0
283.09805	0.9
283.15506	2.9
284.15765	2.1
287.05786	0.7
293.08173	1.7
297.11224	1.2
310.08255	1.3
325.10724	1.6
326.11688	0.8
329.13962	0.7
353.10223	0.7
357.13297	6.5
370.10461	0.7
381.13425	0.6
385.12811	36.0
386.13467	1.1
387.14362	5.2
399.14590	1.1
415.14087	0.7
417.15448	13.0
481.10522	0.7
643.23859	45.6
644.23749	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	643.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.7
55.01864	2.0
65.03939	5.8
65.78867	0.6
67.05492	1.7
69.03427	1.3
69.54945	4.3
69.91855	0.6
71.01339	1.5
71.05006	0.7
78.04714	1.4
79.05493	5.3
81.03419	4.2
81.07049	1.1
82.04199	2.0
82.34052	0.6
85.02906	4.6
91.05489	5.9
93.03381	2.0
95.04966	3.9
97.06519	1.3
98.21430	0.9
102.04632	0.7
103.04810	1.0
103.05466	15.5
105.03426	3.7
105.07035	6.7
106.04174	1.6
107.04958	8.1
109.06509	2.2
110.03642	2.7
111.04441	1.7
115.05460	6.1
117.07031	5.7
118.04170	5.2
119.04942	2.6
119.08595	0.8
120.05679	0.7
121.02859	0.9
121.06496	2.7
122.03644	1.1
122.06899	0.8
123.04436	5.5
124.05205	2.2
125.05976	2.6
128.06178	0.8
129.07016	1.4
130.04169	1.1
131.04929	16.5
132.05717	1.1
133.02852	3.7
133.06496	7.3
134.03665	1.2
135.04434	0.9
135.08067	1.4
137.05974	7.2
138.03145	1.1
142.02597	1.5
143.04897	1.4
144.05655	1.7
145.06500	6.6
146.03635	1.5
147.04384	2.3
147.08041	2.0
148.05180	10.4
149.05986	2.5
151.03935	2.9
151.07535	2.1
152.04691	1.5
153.05484	5.4
155.05949	1.3
155.07037	2.1
156.05740	0.9
157.06468	1.3
159.04486	0.7
159.08047	2.4
160.05109	1.3
161.05991	8.3
162.06731	1.2
163.07553	16.9
165.05513	5.0
165.06841	0.9
165.09033	1.0
166.06223	0.6
167.07042	62.4
168.07376	0.8
169.06551	0.9
171.06528	3.6
173.05984	7.3
174.06764	1.0
175.07532	2.6
176.04655	2.2
176.06122	0.6
177.05432	2.7
177.09155	0.6
179.07040	2.1
179.08498	0.9
180.07784	2.3
181.04958	100.0
182.05310	1.0
183.06546	0.6
185.05901	0.9
187.07529	3.7
189.05388	0.6
190.06282	1.2
191.07033	78.6
192.07457	1.0
193.04977	4.1
193.08623	2.8
195.06567	2.9
195.08044	0.6
197.08098	1.3
201.05461	1.0
202.06264	0.6
203.07062	2.9
205.08617	5.8
207.06467	4.7
207.08177	1.3
207.10133	2.4
208.07254	4.5
209.08026	3.2
213.05437	0.7
217.08585	3.3
218.07286	0.7
219.08124	1.2
219.10072	5.7
221.05923	1.2
221.07990	1.3
223.07573	0.9
225.07596	12.8
226.08344	2.5
229.08682	0.9
233.08093	6.1
234.06781	1.1
235.07520	1.4
235.09634	7.4
236.08403	0.9
237.09097	0.8
245.08069	1.6
247.07471	0.8
249.09035	0.7
252.07837	1.0
255.09837	0.6
261.05423	0.7
263.07016	0.6
263.09146	16.5
267.07565	0.6
267.10022	2.9
271.93866	0.6
277.08661	0.8
279.10117	0.9
293.08157	0.7
295.09659	1.1
297.11142	1.7
307.09552	1.1
325.10715	4.3
327.12292	1.1
329.10312	1.0
331.11807	0.9
337.10614	1.1
339.12299	1.8
353.10147	0.8
357.13303	5.5
367.11682	2.0
369.13287	0.7
371.15146	1.5
381.13458	0.9
385.12805	10.0
387.14346	2.0
399.14404	1.9
417.15405	9.0
514.36066	0.8
560.85699	0.7
593.19476	0.8
643.23462	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	643.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01582	0.4
53.03932	0.9
55.01855	1.0
57.91015	0.4
65.03940	3.3
67.05488	1.6
67.52087	0.5
69.03414	0.8
69.79546	2.6
78.04711	2.7
79.05499	3.4
81.03425	0.8
81.07043	0.8
82.04184	1.2
85.02895	2.0
91.05489	4.4
93.03407	0.8
93.07053	0.9
94.04209	0.5
95.04970	2.6
97.06512	1.4
103.05469	5.6
105.03362	0.6
105.07029	3.8
106.04186	2.5
107.04969	5.8
109.06544	0.7
110.03647	1.6
111.04436	0.7
115.05443	7.0
117.07014	9.0
118.04138	1.1
119.04945	0.7
121.06517	2.7
122.03628	0.5
123.04432	8.5
124.05205	3.0
125.05972	1.3
127.05437	1.5
130.04198	0.6
131.04910	4.2
132.05714	0.6
133.02812	0.8
133.06505	3.5
134.03604	1.5
135.04402	1.2
135.07999	0.5
137.05974	4.5
138.03130	1.0
140.04674	1.1
142.02620	1.4
143.04880	0.8
144.05682	0.9
145.06491	13.3
145.17511	0.4
147.04402	0.9
147.08017	1.3
148.05167	1.5
149.06012	3.3
151.03896	2.1
151.07552	0.6
152.04640	2.3
153.01898	0.6
153.05447	1.5
155.06038	4.3
155.07117	0.9
157.06500	0.4
159.04402	1.3
159.08005	0.4
160.05214	0.7
161.05986	5.3
163.03931	0.9
163.07567	3.0
165.05493	1.5
167.07040	100.0
168.07391	1.1
171.06552	2.5
173.05988	20.7
175.07565	1.4
176.04736	0.6
177.05470	4.5
179.07066	0.5
181.04956	51.0
181.08514	1.3
187.03833	0.5
187.07568	0.4
190.06274	0.9
191.07034	11.1
192.07701	0.9
193.08592	2.4
194.05719	0.4
195.06520	1.4
201.05489	0.7
203.06950	2.2
205.06757	0.9
205.08606	6.0
207.06479	0.8
207.10080	0.9
209.08002	3.0
209.09630	0.4
213.05484	0.5
217.08600	0.8
219.06403	0.6
219.08255	0.8
219.10141	0.7
221.66518	0.4
225.07544	0.9
231.06514	1.0
233.08063	6.7
235.09660	7.4
250.06203	0.6
251.07072	0.7
265.08630	1.1
267.06552	0.6
279.06937	0.5
287.05563	1.2
288.05966	0.9
289.06140	0.7
293.08292	0.8
297.11237	1.2
310.08484	0.8
311.08841	0.6
323.09320	0.4
325.10773	1.3
327.08917	0.5
329.10153	0.5
329.13809	0.6
337.10864	0.8
353.10181	0.6
357.13419	5.2
369.13449	0.5
372.53467	0.5
385.12814	31.4
386.13422	1.3
387.14438	6.6
399.14490	1.5
415.13971	0.9
417.15436	15.5
417.21060	0.8
595.37335	0.5
643.23828	41.4
644.24567	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.234
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02353	0.7
52.41554	0.4
53.03944	1.1
55.01856	1.4
56.96549	0.4
57.03439	1.9
57.84504	0.4
59.04983	0.6
61.02912	0.9
67.05490	0.6
69.03416	2.4
69.22629	0.4
71.01350	4.1
71.50005	0.4
71.50426	0.4
72.04562	0.4
73.02905	1.2
78.03448	10.6
79.04248	0.5
79.05492	4.5
80.05018	5.6
81.03409	1.4
83.04969	0.4
84.08140	0.7
85.02914	3.5
86.45004	0.4
87.04467	0.4
91.05464	1.2
93.07029	1.0
95.04977	3.9
96.04498	4.9
97.02894	1.8
103.03939	6.1
103.05453	1.7
106.02910	86.2
106.06554	2.7
107.04946	17.1
108.04465	0.6
109.02867	1.8
109.06508	0.7
111.04447	0.7
115.03893	0.8
117.48238	0.4
119.04839	0.5
121.06500	1.5
123.05547	100.0
124.03962	4.1
124.05953	0.5
125.02367	0.4
127.03915	1.0
131.04926	2.2
131.43469	0.4
133.02890	0.7
133.04988	1.1
134.04771	0.6
137.05920	1.1
138.05464	0.8
139.03902	6.8
146.05989	0.4
146.87804	0.4
148.07574	0.8
149.05975	2.6
149.07103	12.3
150.05368	0.4
151.03894	3.3
159.04420	3.3
164.07074	1.8
165.05476	16.8
167.07059	1.5
175.05016	0.7
176.07118	1.5
177.05470	6.2
178.04996	0.7
183.06505	1.0
191.07002	2.2
195.06496	1.5
209.08075	6.4
211.08641	4.3
227.09143	2.9
229.06081	7.1
229.09724	1.8
243.07680	0.5
255.09706	7.8
261.08636	2.1
281.09222	4.7
299.10233	9.7
313.11771	9.4
317.11249	0.7
319.04352	0.6
331.12869	31.8
347.07666	0.5
493.18149	15.2
643.22284	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67142	0.1
54.35620	0.1
55.05490	0.4
57.03434	0.1
59.81732	0.1
65.03963	0.2
66.81236	0.1
67.01855	0.4
67.05507	1.2
68.99803	0.4
69.03415	0.2
69.07055	0.4
69.64532	0.1
70.06609	0.1
71.01333	0.1
71.51598	0.2
79.05494	0.8
81.03419	0.7
81.07069	1.1
83.04967	0.4
83.08646	0.2
85.02908	0.3
85.06509	0.1
88.67500	0.1
89.03894	0.1
91.05472	0.6
92.05827	0.1
93.07053	0.9
95.04965	0.4
95.08598	0.5
97.02897	0.3
97.06534	1.7
99.04441	0.2
105.07004	0.2
107.04961	0.2
107.08585	0.4
109.02878	0.6
109.06561	0.1
109.10117	0.2
111.00838	0.1
117.07001	0.3
119.08591	0.2
121.10162	0.2
122.09634	0.1
127.03889	0.5
129.07051	0.2
130.59653	0.1
131.04926	0.2
131.08562	0.1
133.10126	0.4
134.60660	0.1
135.04433	1.3
135.08051	0.1
137.02332	0.6
149.13283	0.8
153.00594	0.2
153.01834	4.3
159.08014	0.1
159.11685	0.3
161.02333	0.9
161.05952	0.2
167.07048	0.8
171.02924	1.2
171.04324	0.2
173.04280	0.1
173.05945	0.3
177.12685	0.3
179.03455	0.3
179.07115	0.1
181.04965	0.5
187.07597	0.2
189.09175	0.3
191.03421	0.1
191.07068	0.3
195.13794	1.2
197.06012	0.2
199.07576	0.2
201.05400	0.2
209.09711	0.1
213.05421	0.2
219.06454	0.2
226.10884	0.3
227.07129	0.1
241.04999	0.5
241.08748	0.2
241.13400	2.5
257.04529	0.1
269.04489	0.5
269.12881	0.8
270.05380	0.1
271.06027	0.3
283.13297	0.1
286.04681	0.1
287.05499	100.0
288.05777	1.8
309.71609	0.1
321.17117	0.2
329.06467	0.2
334.09338	0.1
339.08615	0.2
339.18100	0.5
355.15289	0.2
377.21298	0.2
405.20572	0.2
409.20303	0.2
417.15396	0.2
423.21503	0.3
433.20157	0.5
435.14639	0.1
436.14679	0.4
437.15192	0.7
451.21298	1.1
469.22351	0.3
481.18259	0.4
583.25415	0.4
611.25201	0.6
615.27905	0.6
625.25793	0.2
643.26349	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2962
Annotation	Crooksiine
Peak:m/z	Relative Intensity
53.24539	0.3
55.05513	1.6
57.03426	0.3
67.05510	2.2
69.07053	1.0
71.08611	0.9
71.52185	0.6
79.05504	2.5
81.03418	2.3
81.07054	3.6
83.04970	0.6
83.08598	1.2
91.05465	3.1
93.07048	3.0
95.04970	1.2
95.08591	2.0
97.06532	1.0
97.10123	0.6
98.98447	0.4
99.08125	0.7
103.05478	0.3
105.07034	2.4
107.04952	1.1
107.08592	1.8
109.06491	0.5
109.10149	1.2
111.08072	0.6
116.18449	0.3
117.07010	1.1
119.08585	1.4
121.10142	1.0
122.98765	0.3
123.11663	0.4
125.09630	0.7
129.07025	0.5
131.08585	1.3
133.10136	1.2
133.32492	0.3
135.08043	0.4
135.11668	0.7
137.09590	0.3
138.62729	0.3
143.08609	0.4
145.10109	0.8
147.11658	0.8
147.16954	0.3
149.09523	0.4
149.13298	0.6
151.11197	0.7
155.08560	0.4
157.10149	0.6
159.11699	0.7
163.11139	0.5
171.11713	0.5
175.11183	0.4
179.14323	2.0
183.11697	0.3
183.41077	0.4
184.07341	0.3
185.13313	0.4
187.14812	0.3
193.12256	0.5
259.20636	0.4
267.15857	0.4
275.20081	1.6
277.21710	1.7
342.16296	0.4
349.23889	0.6
377.17874	0.7
379.19202	1.3
380.20172	0.4
389.17548	0.3
391.19583	1.6
392.20081	0.5
393.20807	1.8
405.16544	1.6
405.21542	0.6
406.17926	1.0
406.22424	0.4
407.18484	1.0
407.22784	5.1
408.22934	0.6
418.17719	0.4
419.18393	3.1
420.19244	2.2
421.20239	4.4
422.21097	0.5
423.21512	1.6
433.20343	4.6
434.21335	3.9
435.16461	0.5
435.21826	7.4
436.22650	1.3
447.22552	1.8
448.18500	0.9
449.19592	9.3
450.20370	0.6
462.20456	1.3
463.20990	2.6
464.22098	1.7
465.19284	1.0
467.24597	0.9
475.21475	0.4
476.22122	0.5
477.22797	1.2
479.20306	1.8
480.21066	0.8
481.22070	2.1
489.23434	0.5
491.24451	0.4
493.21576	3.4
494.23056	2.9
495.23755	3.4
507.23706	1.7
508.24554	0.4
521.25684	11.1
522.25793	0.7
523.26971	0.8
525.35791	0.6
526.25775	0.6
535.23688	0.9
539.22516	1.6
543.36810	5.8
549.24890	1.0
550.25183	0.4
553.24133	0.6
563.26196	1.0
567.26337	0.4
581.27582	20.7
582.27332	1.4
609.27216	0.7
623.42041	0.4
641.29639	100.0
642.29852	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	641.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50675	0.1
55.05492	0.2
56.68872	0.1
67.01861	0.4
67.05480	0.3
68.99794	0.4
69.03418	0.2
69.07071	0.2
69.49219	0.4
69.49639	0.2
71.04977	0.1
71.43369	0.1
79.05475	0.4
81.03411	0.5
81.07074	0.4
83.04971	0.1
85.02859	0.2
86.09727	0.1
89.03899	0.1
91.05476	0.7
93.07030	0.4
95.04950	0.3
95.08605	0.1
97.02845	0.1
97.06517	0.2
100.10479	0.1
105.07016	0.3
106.06538	0.1
107.04961	0.2
107.08571	0.2
109.02841	0.3
109.06520	0.1
115.05411	0.1
117.06979	0.1
119.04943	1.5
119.08561	0.2
121.02875	0.6
121.06469	0.1
121.10130	0.2
123.08093	0.1
127.03882	0.3
129.01804	0.2
129.06972	0.1
133.10139	0.2
135.04401	0.2
135.11670	0.2
137.02275	0.1
137.05977	0.1
145.02826	0.7
145.10062	0.1
149.09615	0.1
153.01820	4.6
161.05946	0.1
163.03914	0.6
163.11156	0.3
167.07036	0.1
169.06522	0.1
171.02907	1.0
173.05968	0.2
181.04904	0.1
187.03976	0.1
193.12274	0.2
195.59247	0.1
203.07036	0.3
206.05719	0.1
209.11717	0.1
220.49939	0.1
225.05421	0.4
227.12849	0.2
229.04979	0.3
241.04842	0.1
243.06502	0.3
247.06108	0.2
269.04276	0.1
270.05075	0.1
271.05997	100.0
272.06348	2.3
287.05490	8.6
287.08884	0.1
288.05692	0.1
353.16272	0.2
376.96756	0.1
387.37473	0.1
433.11105	0.1
452.03116	0.1
479.17178	0.1
543.36658	0.1
641.21948	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.2
54.56811	0.1
55.05487	0.2
56.29411	0.1
65.03912	0.2
67.01857	0.4
67.05486	0.4
68.99799	0.4
69.03400	0.2
69.07056	0.2
71.03480	0.3
71.04958	0.2
71.38908	0.1
79.05506	0.6
81.03410	1.1
81.07046	0.4
83.04958	0.2
83.08605	0.2
84.08158	0.1
85.02909	0.2
85.06503	0.1
86.89445	0.1
89.03911	0.2
91.05476	0.7
93.07018	0.2
95.04922	0.4
95.08575	0.3
97.02869	0.2
97.06521	0.4
103.05456	0.2
105.03350	0.1
105.07005	0.3
107.04940	0.4
109.02867	0.3
109.06497	0.2
109.10120	0.2
111.04433	0.2
115.05424	0.2
117.03348	0.2
117.06995	0.3
119.04949	0.1
119.08590	0.1
121.06483	0.2
123.04400	0.4
124.05180	0.1
129.01874	0.3
129.06979	0.2
131.04897	0.3
133.06488	0.2
135.04398	1.8
137.02335	0.6
137.06006	0.6
145.06487	0.6
147.04402	0.7
147.11629	0.1
149.06059	0.1
151.03894	0.2
151.07494	0.3
153.01817	4.6
153.05385	0.2
161.02318	0.6
161.05884	0.2
163.03882	0.4
163.07462	0.1
165.05479	0.2
167.07025	1.8
171.02898	0.9
171.04333	0.2
173.05954	0.6
175.07539	0.2
175.11093	0.1
177.05453	0.2
179.03406	0.3
181.04959	2.0
189.05463	0.2
191.03499	0.1
191.06969	0.2
193.12241	0.2
195.06519	0.2
201.05528	0.2
203.03505	0.2
203.07091	0.1
204.10197	0.2
205.08546	0.1
209.08174	0.1
217.04874	0.1
217.08484	0.1
219.06534	0.4
221.05907	0.1
231.06372	0.1
233.08028	0.3
234.08952	0.2
235.09673	0.2
235.13397	0.1
241.04901	0.6
241.08611	0.1
259.09668	0.3
265.08597	0.1
269.04465	0.3
269.07727	0.1
271.05914	0.7
277.08353	0.1
287.05475	100.0
288.05835	2.5
323.05301	0.1
347.13101	0.1
383.12585	0.2
385.12869	0.5
386.13300	0.1
387.14487	0.2
415.13660	0.3
416.14487	0.3
417.15320	0.3
435.14423	0.1
449.19797	0.1
479.17194	0.2
611.20374	0.1
641.22076	1.2
641.32611	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.4324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.5
55.05500	1.9
57.07057	1.2
58.06594	6.0
65.90054	0.6
67.05506	1.5
69.07066	1.2
70.06568	0.7
71.52435	0.7
71.52862	0.7
72.07764	0.8
72.08157	10.8
73.06537	1.6
79.05451	0.6
81.03384	0.7
81.07056	0.9
83.04990	1.5
84.08109	0.9
86.09705	20.9
93.07089	0.6
95.08593	0.9
97.06524	0.6
98.09679	0.6
100.11253	100.0
101.06003	1.5
105.06986	0.8
140.14348	3.6
146.11743	2.9
154.12248	1.7
165.56512	0.6
172.13361	2.3
200.16481	1.3
214.14471	1.1
228.15926	5.9
249.19640	0.7
285.21689	5.6
299.23294	7.6
313.21173	0.8
327.22803	13.6
395.25262	1.3
440.31216	2.6
458.32166	5.4
486.92694	0.6
526.34753	1.2
535.79639	0.7
540.36700	0.7
611.43768	31.2
612.43909	1.4
639.37799	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	639.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	10.2
55.01863	8.3
55.05512	25.1
57.03441	17.0
59.04989	2.1
60.93122	1.8
65.03938	3.7
67.05148	2.9
67.05505	56.3
69.03419	18.4
69.07063	17.3
70.65508	5.2
71.04985	9.9
73.02937	2.2
79.05493	57.7
81.03419	100.0
81.06598	3.6
81.07055	56.4
83.04984	44.9
83.08616	23.5
85.02905	17.2
85.06532	5.4
91.05479	76.3
93.07051	41.4
95.04381	3.1
95.04965	40.6
95.08607	18.4
97.02896	17.0
97.06535	10.3
97.10167	6.3
99.04474	4.5
99.08089	4.1
100.55464	1.7
101.02341	2.5
103.03921	2.6
103.05457	4.7
105.07021	47.9
107.04951	19.7
107.08595	16.2
109.02892	13.4
109.06541	11.6
109.10169	10.6
111.04472	10.8
111.08066	12.2
115.05444	4.6
117.07014	8.7
117.93416	1.8
119.04881	2.3
119.08578	28.5
121.06470	6.5
121.10158	13.9
123.04370	2.1
123.08021	3.7
123.11720	3.3
125.09649	3.3
127.03894	9.0
128.06216	3.5
129.05461	5.0
129.07018	25.5
131.05006	2.6
131.08559	28.3
133.06451	6.6
133.10132	34.6
135.04436	2.3
135.08051	2.8
135.11697	4.4
137.05968	4.3
137.09660	2.2
141.06998	3.1
142.07739	6.1
143.08572	4.3
145.10135	8.2
147.08049	7.3
147.11690	27.9
149.09607	11.5
149.13330	3.9
153.12720	4.1
157.06458	2.1
157.10132	28.9
159.04298	2.3
159.08041	2.7
159.11646	3.3
161.09622	2.3
163.03850	12.8
163.11166	13.2
165.12695	4.7
173.04491	3.6
173.11713	2.4
175.03996	2.1
175.11166	24.9
176.11963	2.2
181.12340	3.3
186.09026	2.5
187.03963	4.1
191.10707	3.9
193.12257	50.5
199.03955	3.0
211.13297	46.9
213.05463	2.7
215.07175	2.3
225.05438	2.3
227.12755	6.6
249.14795	3.9
255.13722	2.9
267.15921	82.7
273.14966	3.2
283.15576	2.7
285.16937	9.3
287.05405	3.0
337.14056	4.5
349.48203	2.1
355.16818	3.1
429.20392	6.6
433.68411	2.2
459.27420	72.2
467.66675	2.1
477.28488	23.7
547.26428	4.1
597.27008	4.2
621.32617	29.9
639.30402	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	639.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	7.5
55.01871	6.4
55.05512	19.1
57.03434	9.3
65.03947	2.8
67.05145	1.8
67.05502	24.8
69.03424	16.0
69.07069	7.6
69.34554	4.7
69.34981	3.5
71.01376	1.1
71.04987	7.3
79.05488	26.2
79.05916	1.8
81.03417	100.0
81.07052	29.3
83.04979	19.6
83.08617	20.1
85.02904	22.4
85.06562	1.8
91.05479	30.8
93.07046	18.0
95.04967	29.4
95.08616	8.0
97.02888	13.0
97.06522	4.9
97.10154	6.4
98.21497	1.6
99.04463	3.7
99.08110	1.5
103.05473	1.0
105.07027	25.1
105.07693	1.7
107.04962	9.3
107.08578	10.0
109.02882	16.8
109.06532	4.4
109.10194	4.2
111.04438	11.8
111.08081	10.0
113.06046	1.9
115.05478	2.4
116.09293	0.9
117.07035	3.8
119.04931	1.4
119.08573	20.3
121.06531	3.6
121.10153	11.4
123.04445	2.0
123.08111	3.2
123.11729	2.0
125.06010	1.4
125.09642	3.1
127.03910	8.1
128.06197	1.1
129.05530	2.1
129.07007	9.1
130.07692	0.9
131.04939	2.1
131.08559	9.1
133.06509	4.0
133.10118	9.5
134.54315	0.9
135.04395	2.0
135.08083	1.8
135.11711	2.8
137.06056	2.1
137.09648	2.6
142.07826	2.5
145.06564	1.7
145.10162	2.8
147.04428	1.1
147.08069	3.9
147.11691	16.3
149.06013	1.5
149.09573	5.2
151.07512	1.8
153.12807	3.0
155.08656	1.1
157.06456	1.3
157.10133	13.6
159.04466	1.4
161.05966	1.7
161.09622	1.3
163.03935	2.1
163.11189	5.6
165.05466	1.6
165.12788	5.4
167.08557	0.9
169.10129	0.9
171.08080	1.2
171.11761	1.2
173.04471	1.9
173.09680	1.4
173.17784	0.8
175.11201	13.7
181.12280	3.8
187.04065	1.5
189.05423	1.0
189.11255	2.0
189.12830	1.2
191.10721	3.4
193.12241	44.8
199.11284	0.9
209.87643	0.8
211.13281	66.2
213.05418	1.3
227.12614	4.5
229.14421	2.0
235.13277	1.5
249.14835	1.1
255.13908	1.3
267.09155	2.3
267.15942	17.2
267.18628	1.2
273.14987	3.2
277.14310	1.5
283.15640	1.6
285.10153	5.0
285.16998	13.3
301.14011	4.5
309.17197	1.5
313.16190	1.3
319.15530	1.9
337.16644	1.3
355.17740	5.2
367.22809	1.6
375.18265	1.7
385.23828	2.6
393.19144	2.8
403.24490	1.0
411.20300	6.0
429.20853	1.7
447.22125	1.2
459.27557	6.5
461.42105	0.9
477.28387	11.6
495.29431	14.4
503.33286	0.9
511.29010	1.2
585.30768	3.3
603.31952	3.0
621.32440	9.7
635.45660	1.0
639.33789	42.5
643.32501	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.7
55.01872	7.8
55.05514	15.0
55.45198	1.3
57.03438	8.4
60.04541	1.7
61.76084	1.1
65.03938	2.6
67.05505	28.2
67.05836	1.7
69.03423	14.6
69.07084	5.5
70.06596	3.1
71.01340	2.1
71.05005	5.7
71.06915	1.4
71.51181	1.6
72.08155	1.3
79.05496	27.8
79.05917	2.0
81.03419	100.0
81.07052	29.5
83.04985	22.8
83.08619	20.5
83.09066	1.7
85.02898	20.3
86.09725	4.0
91.05480	34.8
91.06010	2.1
93.07044	22.1
95.04963	27.8
95.08621	10.7
97.02895	12.3
97.06544	6.8
97.10197	5.2
99.04482	3.9
99.08099	1.6
101.65488	1.4
103.05479	2.2
105.07038	23.0
107.04954	11.0
107.08575	11.0
109.02885	16.1
109.03504	1.4
109.06562	4.6
109.10201	4.8
111.04440	12.9
111.08080	10.6
111.08675	1.0
113.06058	1.4
115.05491	2.7
117.07042	5.1
119.04996	1.3
119.08588	21.4
119.09351	1.3
121.06548	2.9
121.10158	10.6
123.04452	3.1
123.08118	3.8
123.11771	3.6
125.06063	1.7
125.09653	2.3
127.03143	1.7
127.03897	8.1
129.05519	2.1
129.07021	11.4
131.04906	2.7
131.08566	12.4
133.06520	3.7
133.10135	8.4
135.08075	1.5
135.11742	4.1
137.05959	7.2
137.09636	3.2
139.03937	1.6
142.07866	2.6
143.08568	1.8
145.06522	3.1
145.10217	3.6
147.04517	2.1
147.08104	4.7
147.11684	15.2
149.05975	2.3
149.09668	5.7
151.03970	1.9
151.07579	1.8
153.05557	1.5
153.12825	2.3
157.06581	2.0
157.10138	11.2
159.04555	1.9
159.08147	1.7
161.06044	3.7
163.03979	5.8
163.07596	1.7
163.11238	4.7
164.07115	3.8
165.12845	3.8
167.07094	4.9
173.02417	1.8
173.04559	1.4
173.06039	2.5
175.07544	2.2
175.11206	13.9
177.05434	1.7
181.05069	3.4
181.12265	2.6
187.03954	2.2
187.07619	1.8
189.05565	2.2
191.07141	3.0
191.10718	2.6
193.12231	41.8
197.06126	1.5
199.03882	1.9
199.07620	1.4
201.05531	1.6
203.07140	1.5
205.12358	1.4
211.13290	65.3
213.05598	1.8
221.06123	1.4
225.05693	2.1
227.12918	4.3
229.14511	2.6
235.13219	1.6
239.06964	1.4
249.14919	1.7
255.13948	1.6
257.04498	1.2
259.13507	1.4
267.15955	22.2
271.06113	2.4
273.14850	2.2
283.15732	2.5
285.16977	12.4
286.04822	2.3
287.05557	4.0
291.16183	2.2
301.14441	3.7
311.12915	2.9
311.16504	1.5
319.15622	2.4
337.16571	4.0
339.12503	4.2
349.21561	1.5
353.13864	1.6
355.17957	8.9
363.57495	1.5
371.76422	1.4
375.18036	2.5
385.16617	1.5
385.24136	3.9
393.19284	2.3
403.24701	1.4
411.20227	6.1
429.19958	3.2
447.20120	1.6
459.27191	6.4
477.28229	10.2
495.29620	11.3
519.30237	1.6
579.27258	5.4
585.30786	1.6
588.36475	1.4
621.32477	11.9
639.14087	2.2
639.33875	44.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2809
Annotation	Moluccensin G
Peak:m/z	Relative Intensity
55.05507	2.2
56.83467	1.1
59.37471	1.6
67.05498	2.3
69.07052	1.4
70.11501	6.1
79.05500	3.9
81.03435	1.4
81.07089	2.3
83.04968	1.7
83.06425	1.1
91.05511	3.7
93.07061	3.8
95.08627	2.9
103.01630	1.3
103.05490	1.3
105.07017	2.6
108.08121	1.8
109.10166	1.7
116.04948	1.5
117.06985	1.4
119.08591	1.7
120.04469	2.2
120.08090	9.1
122.09679	2.3
129.07112	1.3
131.08607	2.1
144.04401	1.5
145.10080	1.9
146.06055	1.8
148.07607	2.3
150.09137	2.7
169.77898	1.4
172.03931	8.4
183.09077	1.2
197.10799	3.2
204.06575	12.9
210.11385	1.4
211.08691	3.9
213.10179	1.3
221.10651	1.3
225.10257	4.3
225.13799	1.3
227.11882	3.8
235.08815	1.8
236.09425	1.8
236.98241	1.4
237.10262	2.6
248.09509	1.7
249.10159	6.2
250.11113	1.8
251.08115	1.3
251.11848	4.0
253.09923	2.7
253.13487	2.0
263.11847	2.2
265.09833	2.4
277.09726	1.4
279.11496	4.6
281.12964	1.4
285.12408	3.3
297.12402	1.8
299.14029	1.4
300.11713	2.0
302.12598	1.4
307.10809	2.0
309.12445	2.4
311.13876	1.8
313.11966	1.3
314.12952	3.1
325.12155	2.8
326.13107	2.4
327.13724	2.8
328.11029	1.6
328.14609	2.4
338.12695	2.2
338.16473	1.9
339.13699	4.4
340.14459	2.8
341.15271	1.7
342.12482	5.3
342.16220	3.9
354.12381	3.7
355.12955	2.7
355.16953	1.5
356.13968	6.8
356.17599	2.4
357.14832	2.8
358.15692	2.0
368.14032	4.0
369.14694	2.9
370.15634	5.8
371.16040	1.6
382.15714	3.2
383.16370	2.6
384.17126	8.1
397.14389	1.7
410.15115	3.7
412.16672	3.6
416.20175	2.0
426.18134	3.6
429.16544	1.9
430.17371	1.7
433.16562	2.9
434.17404	1.5
435.18335	3.0
442.17542	2.9
444.19189	10.5
447.18237	1.9
449.19684	8.1
463.21744	2.7
470.17139	6.5
472.18369	1.7
502.19736	2.1
521.21814	2.0
527.37524	2.2
533.25513	1.6
551.26495	16.8
579.26129	15.6
589.24231	2.3
607.25781	10.9
611.28577	74.6
612.28589	3.0
621.26331	1.9
639.28156	100.0
640.28644	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	639.281
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
54.73026	0.8
63.37120	0.8
70.06919	0.8
70.81812	2.5
93.06960	0.9
102.98186	1.0
103.11864	0.9
109.10207	1.2
202.36981	1.0
234.04825	1.0
243.76009	0.8
340.17905	1.0
377.17670	2.5
378.18814	1.0
389.17950	2.0
390.18369	1.5
391.19293	7.1
392.19980	3.6
393.20755	2.0
403.19849	1.9
404.20148	2.4
405.20648	8.9
406.21161	4.0
407.22305	16.7
417.20999	2.4
418.21710	1.4
419.22498	5.3
420.23099	4.4
421.23941	18.5
422.18298	1.0
422.24539	3.8
431.22745	1.2
433.24008	4.7
434.24829	2.8
435.18277	1.9
435.25568	1.2
436.19019	1.2
445.20313	2.1
447.26303	1.3
450.20285	1.9
451.21301	16.9
452.21976	4.8
461.23566	1.7
463.21494	1.3
464.22125	1.5
465.22882	19.2
466.23502	2.9
467.37436	1.7
475.25562	1.9
477.22604	1.5
478.23996	1.7
479.24121	2.0
487.21518	2.3
488.21851	2.5
489.22897	1.3
491.20654	3.1
492.21399	1.4
493.25787	1.6
501.22906	1.8
502.23309	1.0
503.24533	15.6
504.24820	1.5
507.27682	15.0
508.28336	3.8
516.54590	1.0
519.24194	1.2
520.24359	1.0
523.23419	3.7
533.25800	1.8
535.27002	20.4
536.27130	1.9
537.24860	11.6
551.26666	5.3
552.27289	23.5
553.27893	1.6
561.25073	4.9
562.25635	1.2
579.25946	10.7
580.26715	5.5
589.23682	1.1
593.27405	2.0
595.29199	6.0
607.25201	1.3
621.27032	21.2
639.28094	100.0
640.28387	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	639.2809
Annotation	Cucurbitacin B 2-sulfate
Peak:m/z	Relative Intensity
54.21862	1.0
55.05516	1.9
65.20501	1.0
67.05511	5.1
71.08611	1.3
71.52128	1.3
76.49837	1.0
79.05470	1.6
81.07045	3.6
83.04974	1.2
91.05487	3.4
93.07018	2.3
95.04947	2.1
95.08605	3.0
96.60734	1.0
97.10150	1.4
98.98408	1.0
105.07020	2.0
107.08581	1.1
121.10129	1.5
125.00020	1.4
145.10104	1.7
149.70248	1.1
151.11179	1.1
184.07460	1.5
197.10834	1.7
202.15900	4.0
203.16229	4.8
204.16623	3.0
211.12216	1.3
221.10727	1.5
222.11467	1.9
223.12137	2.5
235.12213	2.9
236.13083	1.5
237.13866	4.2
238.14677	2.4
239.15479	1.3
249.14046	1.7
250.14580	1.0
251.11710	1.8
251.15454	2.8
261.13828	2.4
262.83197	1.4
274.14160	1.1
279.15051	2.4
293.21167	3.5
294.21591	1.9
299.10272	1.9
300.13599	3.4
301.13922	5.7
302.13925	5.3
303.14413	2.2
312.15073	1.4
338.16315	1.4
354.15750	1.2
379.19592	2.5
407.18564	3.2
410.21176	1.4
417.16696	1.6
421.20175	2.1
422.20963	1.6
423.21780	2.0
431.18530	1.8
433.20248	1.4
435.18030	1.9
436.22931	1.4
446.20728	1.6
449.20004	1.4
450.19864	1.8
451.21228	1.4
467.20490	1.7
481.26410	2.0
487.21011	1.2
496.24539	1.7
501.23047	1.6
509.25497	14.5
522.22614	2.3
537.24860	12.7
547.23285	2.5
549.22021	1.5
551.26251	3.8
561.24811	4.8
565.24475	12.9
567.29852	2.9
569.27625	17.5
579.25623	3.7
589.24609	1.7
596.26190	1.5
597.27008	100.0
598.27148	7.1
607.25671	8.9
611.28748	13.7
621.27283	10.8
639.27991	35.5
639.37946	2.4
640.27716	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	639.2808
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
55.01870	0.8
55.05509	1.5
57.07060	0.8
67.05508	2.6
69.07076	1.5
71.08632	0.7
71.51189	0.6
71.51651	1.4
79.05486	2.2
81.03429	0.9
81.07057	2.9
91.05475	2.4
93.07053	2.6
95.04948	0.9
95.08618	1.5
97.10095	0.7
105.07047	2.2
106.74029	0.7
107.04957	0.8
107.08593	1.6
109.06579	0.9
112.61462	0.6
117.07047	1.1
119.08616	0.7
131.08521	1.1
133.10065	0.9
143.08464	0.7
145.10123	1.3
150.14621	0.6
204.10254	0.7
205.10471	0.8
242.44911	0.7
263.92410	0.7
275.20258	1.6
291.19516	0.8
298.67242	0.8
300.95325	0.7
392.16226	0.8
393.16934	1.4
407.18665	1.8
420.15421	0.8
420.20059	0.9
421.20251	4.9
422.21191	1.8
433.20584	1.6
434.16928	1.2
435.18137	2.8
436.22479	2.7
445.16464	0.8
447.22214	1.1
448.19040	1.9
449.19510	9.6
450.20477	2.8
459.18326	1.0
460.18936	1.1
461.20071	1.1
462.20605	1.1
463.21860	4.0
464.22089	5.7
473.20157	0.8
474.20142	1.0
475.21265	1.9
477.18866	5.7
478.20044	2.3
479.20728	0.8
492.21481	1.6
493.22528	1.0
506.22006	0.9
507.23700	0.9
523.23035	3.1
535.23816	3.6
536.24072	1.9
550.25531	1.3
551.26227	3.5
561.24634	3.6
564.23236	4.0
565.24561	2.1
579.26044	8.8
581.24292	0.8
595.25610	1.3
596.26154	1.2
597.27319	1.0
607.25610	1.3
621.27051	4.1
624.25684	5.3
639.28064	100.0
640.28033	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	639.1918
Annotation	Dillenetin 3-rutinoside
Peak:m/z	Relative Intensity
57.03395	0.2
65.28895	0.1
69.03373	0.2
71.05005	0.7
74.53745	0.1
79.60690	0.1
81.03384	0.1
81.07004	0.2
83.04965	0.2
85.02906	1.5
86.57542	0.2
93.06985	0.2
97.02859	0.3
115.17360	0.1
115.18200	0.2
129.05431	0.2
137.05893	0.2
139.35760	0.1
147.04343	0.2
151.03906	0.2
153.01775	0.5
154.02574	0.2
163.03841	0.2
178.02536	0.5
181.04764	0.1
229.44632	0.2
241.05016	0.2
242.05769	2.1
251.11243	0.3
258.05203	1.3
269.04495	0.3
270.05219	10.4
271.05722	0.3
273.03943	0.8
285.03925	0.3
286.04733	1.1
287.05472	4.4
298.04666	0.8
299.05325	0.7
301.03384	1.8
302.04199	2.4
313.03378	0.6
315.04974	39.4
316.05734	11.5
331.08102	100.0
332.08472	2.5
373.09207	0.2
430.88373	0.2
493.13446	0.5
583.70746	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1914
Annotation	Dillenetin 3-rutinoside
Peak:m/z	Relative Intensity
53.43863	0.1
55.01815	0.1
56.18308	0.1
67.05461	0.3
67.72997	0.2
69.03362	0.2
70.06550	0.3
71.04991	0.9
85.02901	1.3
86.09655	0.3
91.05415	0.3
95.04956	0.2
100.14205	0.2
107.04897	0.2
111.04391	0.2
114.43256	0.2
118.16307	0.2
119.04828	0.2
121.02856	0.2
127.03938	0.2
129.05414	0.3
130.84305	0.2
137.02264	0.2
137.05914	0.4
137.09586	0.3
146.05942	0.2
151.07504	0.3
153.01746	0.6
154.02548	0.2
161.05862	0.3
164.07028	0.2
165.05411	0.2
167.07027	0.3
177.05360	0.2
178.02563	0.6
178.08617	0.2
196.09659	0.4
213.05334	0.2
234.66759	0.2
242.05701	2.8
243.12093	0.2
245.77556	0.1
250.10635	0.6
251.11099	0.4
258.05179	1.5
267.06635	0.2
268.11676	0.2
269.04434	0.4
270.05206	11.0
271.05621	0.4
273.03909	1.3
280.39676	0.2
285.04123	0.4
286.04697	1.3
287.05450	5.8
297.13925	0.2
298.04736	0.9
299.05469	0.8
301.03415	2.2
302.04202	3.0
311.13290	0.2
313.03409	1.0
315.04959	42.8
316.05725	12.6
331.08093	100.0
332.08484	2.5
431.17639	0.2
493.13345	0.4
570.57538	0.2
579.26489	0.3
639.24506	0.8
639.34528	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.4
55.01859	0.4
55.05498	0.6
57.03419	0.3
58.36839	0.1
59.97793	0.1
65.03912	0.2
67.01855	0.4
67.05500	2.4
68.99797	0.4
69.03416	0.5
69.07075	0.7
71.04960	0.2
71.51833	0.2
79.05487	2.9
81.03416	2.3
81.07049	1.9
82.46010	0.1
83.04971	0.5
83.08598	0.5
85.02901	0.4
85.06552	0.2
91.05476	2.4
93.07040	2.9
95.04963	1.1
95.08599	0.7
97.02869	0.8
97.06513	0.3
97.10154	0.3
105.04546	0.1
105.07027	1.5
107.04943	0.5
107.08585	0.8
109.02870	1.3
109.10123	0.3
111.04447	0.2
111.08098	0.2
117.07015	0.4
119.04939	1.6
119.08566	1.0
121.02864	0.8
121.06497	0.2
121.10132	0.5
123.07999	0.2
127.03893	1.3
129.07005	0.6
131.08589	0.7
133.10089	0.6
135.04457	0.2
135.11600	0.2
141.07002	0.2
143.08531	0.4
145.02835	1.1
145.10144	0.3
147.08043	0.2
147.11662	1.5
149.02328	0.6
149.09619	0.3
149.13289	0.2
153.01816	4.7
157.10143	0.2
159.11646	0.2
161.09628	0.3
161.13232	0.3
163.03889	1.3
163.11084	0.2
169.06448	0.1
171.02890	1.2
171.11661	1.3
173.02328	0.3
173.04483	0.2
175.11150	0.2
177.05440	0.2
185.05870	0.2
187.03937	0.2
189.12645	0.7
193.04948	0.3
193.12259	0.3
203.07048	0.3
207.13779	3.5
211.13235	0.2
213.05437	0.2
225.05415	0.7
229.04947	0.3
237.07466	0.3
243.06534	0.3
267.16025	0.3
271.05988	100.0
272.06302	2.0
287.05478	0.2
288.05679	0.1
313.07129	0.4
315.15768	0.2
331.17789	0.2
333.17041	0.3
337.14145	0.2
349.18335	0.2
351.17935	0.3
355.15414	0.4
379.07904	0.2
429.19290	0.3
480.29016	0.2
621.30603	0.5
639.23792	0.4
639.32855	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1915
Annotation	Dillenetin 3-rutinoside
Peak:m/z	Relative Intensity
52.98483	0.1
57.03399	0.2
69.03393	0.2
71.04996	0.7
71.51762	0.2
85.02898	1.2
127.03890	0.1
127.45420	0.1
128.06158	0.2
129.05435	0.3
133.99536	0.1
134.90457	0.1
136.85855	0.1
153.01733	0.6
157.06421	0.2
175.05830	0.1
178.02534	0.5
185.05954	0.2
189.75827	0.1
196.09589	0.2
237.08992	0.1
242.05708	1.6
245.07974	0.2
258.05188	1.7
269.04306	0.2
270.05215	7.8
271.05923	0.2
273.03918	1.2
285.03754	0.2
286.04672	1.1
287.05487	3.1
298.04706	0.3
299.05414	0.6
301.03430	2.1
301.06790	0.3
302.04224	2.4
313.03375	0.8
313.06711	0.2
315.04959	31.9
316.05722	4.1
316.08643	0.1
331.08090	100.0
332.08499	1.4
493.12750	0.3
639.22003	0.5
640.08466	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	638.4626
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	7.8
55.05511	30.9
65.26392	3.1
67.05503	33.2
69.07068	15.0
71.04243	5.6
71.08607	4.4
79.05492	38.0
79.23755	2.7
81.03417	8.1
81.06593	4.8
81.07059	60.2
83.04977	8.6
83.08600	17.1
85.06532	3.5
86.09705	4.1
91.05477	25.0
93.07032	27.4
95.04977	27.5
95.08598	20.4
97.06525	4.3
97.10160	23.6
105.07017	18.9
107.04952	5.9
107.08583	23.8
109.06514	12.0
109.10142	10.1
111.04427	6.6
111.08085	4.8
117.07008	11.9
119.08582	26.2
121.06500	7.5
121.10124	11.0
123.08092	7.3
125.00002	3.8
125.09621	14.7
126.80574	3.0
131.08540	12.2
133.10117	11.7
135.08041	8.2
135.11700	6.7
137.09558	4.4
139.11145	3.7
143.08534	7.6
145.10126	16.6
147.08031	15.1
147.11644	5.0
149.09570	10.4
149.13301	3.9
151.11203	7.3
153.09076	8.1
157.10129	7.8
159.11702	5.9
161.09647	7.1
161.13245	4.7
163.11136	16.0
163.45898	3.2
165.08949	3.1
171.11667	5.1
173.09476	4.3
173.13188	4.1
177.12811	4.9
181.12209	4.8
184.07352	19.3
189.11209	16.4
189.12666	4.0
190.11438	3.7
191.10591	5.4
200.55505	3.0
223.13263	11.5
227.12608	4.5
273.18497	30.2
274.18735	4.3
275.20056	12.5
277.21472	9.5
291.19553	100.0
293.21103	33.7
309.20483	7.3
342.59152	3.0
467.31262	3.6
585.40991	3.1
597.26801	5.0
639.28760	5.3
639.38531	29.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	9.0
55.01871	12.8
55.05507	28.7
57.03433	12.6
59.05000	2.3
65.03925	4.0
67.05498	45.7
68.49692	1.9
69.03423	26.0
69.07054	7.6
70.06555	2.4
71.01333	4.4
71.04972	8.7
79.05482	40.7
81.03408	100.0
81.07047	43.2
81.07514	1.7
83.01326	5.5
83.04974	23.8
83.08602	20.0
85.02883	19.8
85.06513	3.8
86.09653	2.5
87.04395	2.0
91.05472	46.5
93.07030	35.6
95.04952	31.7
95.08590	14.4
97.02879	23.7
97.06518	11.6
97.10155	10.5
98.21574	3.3
99.04433	5.5
103.05474	2.8
105.07024	28.4
107.04955	19.0
107.08578	21.6
109.02877	26.9
109.06507	9.7
109.10146	13.3
111.04434	18.5
111.08066	7.0
115.05467	4.2
117.07022	11.1
117.07741	2.2
119.04971	2.6
119.08562	20.5
121.02846	2.2
121.06474	11.9
121.10106	11.2
123.04379	7.2
123.08054	7.6
125.00056	2.4
125.02346	2.2
125.05923	2.9
125.09579	7.2
127.03891	11.0
128.06200	1.9
129.05472	2.4
129.06990	9.6
131.04968	4.6
131.08548	14.7
133.06441	5.6
133.10120	12.2
135.04390	4.7
135.08008	4.3
135.11678	14.9
137.05989	3.7
137.09544	5.0
141.06989	2.8
142.07770	2.6
143.08601	3.4
145.06438	4.8
145.10094	18.1
147.04335	3.7
147.07996	7.2
147.11644	12.3
149.05946	3.7
149.09625	4.6
151.03883	3.1
151.11150	3.8
153.09061	2.2
153.12700	8.8
155.08501	4.0
157.06516	2.9
157.10089	8.1
161.05925	2.9
161.09573	3.0
163.03914	2.4
163.11180	16.7
165.05461	3.1
165.09114	2.8
165.12727	5.2
167.07039	7.2
171.04172	2.1
171.11661	2.7
173.04433	6.9
173.05916	3.3
173.09554	3.2
174.13643	2.0
175.07620	2.3
175.11191	7.8
177.05524	2.3
181.06378	2.1
181.12227	8.5
184.07309	5.5
185.05922	2.7
187.03984	4.2
187.07520	2.0
189.05577	2.1
189.09029	4.3
189.11197	3.4
191.10619	12.1
193.12227	23.3
199.03827	4.6
201.05466	3.6
209.11696	8.7
211.13266	38.7
213.05453	19.2
217.05034	2.3
225.05548	2.3
227.07082	2.8
227.12698	20.6
229.14291	2.2
239.07007	2.7
247.13190	2.7
267.15945	11.8
273.14835	3.2
283.15503	14.9
285.17126	2.5
301.14484	3.9
337.14084	17.4
353.16019	4.6
355.15359	3.2
355.17279	3.0
365.20490	2.3
375.17654	2.0
383.22070	4.3
393.18945	2.6
411.17953	10.5
457.25864	11.1
475.26846	13.2
493.27817	9.9
545.25055	2.3
619.30151	10.6
637.32117	56.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	1.9
53.03943	8.9
55.01873	10.4
55.05513	24.4
55.05769	0.8
57.03438	10.7
57.07064	1.0
59.04991	2.1
65.03943	2.3
67.05506	24.1
69.03091	1.7
69.03434	20.3
69.07072	5.6
70.06597	1.2
70.97591	1.3
71.01360	2.3
71.04993	7.7
73.02920	1.3
74.26987	1.1
74.73871	0.9
76.96211	0.9
79.05496	31.9
81.03418	100.0
81.07056	31.6
82.03728	1.1
83.01328	5.0
83.04978	26.0
83.08617	22.4
85.02907	18.2
85.06553	2.3
86.09691	1.9
91.05482	32.4
93.07049	27.1
95.04967	23.3
95.08610	12.3
97.02895	18.9
97.06523	7.2
97.10171	8.0
99.00854	1.1
99.04468	6.2
101.02412	1.1
103.05483	1.6
105.04539	1.2
105.07033	20.3
105.07702	1.7
106.06582	1.0
107.04957	14.3
107.05640	1.4
107.08588	16.1
109.02882	20.8
109.03608	1.4
109.06520	7.5
109.10151	6.3
111.04450	13.8
111.08096	7.6
113.06046	1.2
115.05476	2.3
117.07000	9.5
119.04932	1.9
119.08586	14.6
119.63348	1.2
121.06515	6.2
121.10136	11.7
123.04438	3.2
123.08046	6.9
123.11708	3.0
125.06026	1.8
125.09630	5.6
127.03922	14.2
128.06197	1.6
129.07004	7.5
130.07811	1.7
131.04976	1.4
131.08569	10.3
133.06487	3.2
133.10118	7.3
135.04549	1.2
135.08066	2.1
135.11688	10.3
137.05966	3.2
137.09653	2.0
142.07822	1.3
143.08591	2.4
145.06499	2.6
145.10132	13.2
147.04385	1.6
147.08067	4.3
147.11694	10.1
149.06003	1.7
149.09647	4.1
153.12773	8.6
155.08560	1.4
157.10075	6.3
161.05911	1.5
163.03937	2.5
163.11182	18.7
164.07065	1.6
165.05501	1.2
165.12849	1.8
171.08038	1.3
173.04501	2.3
173.09651	2.6
175.11165	7.6
181.12233	7.2
189.11241	3.3
191.10699	7.0
193.12245	23.9
193.13881	1.9
209.11681	6.6
211.13284	37.0
213.05444	1.1
215.32977	1.1
227.06857	1.1
227.12794	12.1
246.05019	1.1
249.14922	1.6
265.14532	1.9
267.15945	5.7
273.15097	2.3
277.14337	1.7
283.15491	9.9
285.10123	1.9
285.16840	2.2
301.13974	1.7
317.14285	1.2
327.97073	1.1
337.16754	1.6
353.16061	4.0
355.17511	4.3
383.22308	3.0
401.23447	1.2
409.18604	2.4
411.20123	3.1
457.25662	2.5
475.26840	7.7
493.27957	10.3
545.27679	1.1
577.31525	1.5
606.20642	1.2
615.24762	1.0
619.31250	4.2
637.32135	49.6
638.32202	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	637.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47313	0.3
52.55809	0.4
57.80637	0.4
63.19884	0.4
83.50995	0.4
88.65607	0.3
98.20815	1.1
98.21503	1.2
112.30466	0.3
118.90707	0.4
128.42519	0.5
177.07149	0.4
197.92761	0.3
262.51581	0.4
387.15894	0.6
389.17886	0.5
401.17841	1.0
402.18750	0.8
403.19354	1.3
404.20309	0.5
405.20755	1.0
415.19513	1.9
417.21558	2.2
418.21509	0.5
419.22473	1.6
420.23337	0.7
429.16608	0.9
429.21445	0.7
430.17181	2.0
431.17798	2.8
432.18942	1.0
432.24057	0.8
443.17886	2.2
444.19214	3.0
445.20007	10.0
446.21292	2.6
447.22028	1.2
457.19983	0.8
458.20975	8.6
458.26755	0.6
459.21683	7.1
460.22754	7.4
461.19095	3.8
462.20291	0.6
471.22147	0.6
472.22763	0.5
475.21313	2.2
476.21982	1.2
477.22620	1.8
490.23761	1.0
491.24457	1.5
503.19910	0.8
504.25198	0.6
505.22345	0.8
517.22876	1.6
518.22839	5.0
519.23199	0.5
531.23938	1.1
533.25531	3.5
535.23273	1.8
545.25568	2.5
546.26367	2.4
549.24982	1.4
563.26984	0.6
573.24475	0.7
577.28607	2.4
578.28577	0.5
590.25299	0.6
592.26617	0.6
605.27563	14.4
606.27887	1.4
637.30188	100.0
638.30536	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	637.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99800	0.3
69.29838	3.0
74.94183	0.3
83.39560	0.3
140.48517	0.3
143.00357	0.3
157.29659	0.3
159.00011	0.3
209.10606	0.3
210.95859	0.3
246.97044	0.3
258.23840	0.3
260.20471	0.3
335.14111	0.3
374.16135	0.3
375.16101	0.5
377.17697	0.4
386.15665	0.6
387.15903	0.4
388.17957	0.8
389.18472	1.0
390.18353	0.5
391.19177	2.1
392.19821	1.5
399.15750	0.9
400.16788	1.2
401.17429	1.7
402.19284	0.5
403.19931	0.8
404.20374	1.0
405.20776	4.1
406.21475	5.7
412.17404	0.5
413.17719	1.8
414.18259	2.5
415.19153	4.1
416.20102	0.8
417.20685	1.3
418.21680	1.0
419.22873	2.2
420.23102	3.7
421.23853	10.2
422.24048	0.4
427.19556	1.5
428.20175	2.6
429.20801	10.4
430.21841	2.5
431.17880	0.8
431.22525	1.1
432.23312	0.5
433.19943	1.7
433.24103	1.7
434.24484	1.1
441.16266	0.4
441.21323	0.5
442.22018	1.8
443.22546	7.0
444.23441	4.2
445.19864	3.6
446.21191	0.6
447.18250	2.0
447.26578	0.5
448.22607	0.6
455.18478	1.0
456.19348	1.2
457.23764	3.9
458.24957	7.0
459.21820	7.5
460.22702	4.7
461.19342	7.7
462.19775	0.5
470.21432	1.4
471.22107	2.4
472.22684	6.3
473.19348	1.6
473.23553	1.6
474.20520	0.6
475.20438	2.3
476.22034	6.6
477.27155	0.6
484.18503	0.5
485.23499	12.3
486.23987	3.3
487.20334	2.5
488.21909	4.2
489.22861	1.4
490.23782	0.6
491.24380	1.0
492.25089	0.8
493.22290	0.4
498.20035	0.5
499.21188	1.0
500.21982	1.7
502.23572	1.3
503.24393	16.9
504.24176	1.0
505.22107	0.6
513.22931	3.7
514.23480	1.7
517.26074	8.5
519.23920	0.6
529.26294	1.9
531.24451	0.6
535.27045	22.5
536.27295	1.3
545.25458	74.0
546.25781	4.2
547.26324	0.4
549.24835	0.6
558.22968	0.3
563.26398	4.1
564.26593	0.4
573.24957	18.4
574.25293	1.2
577.28210	1.2
578.28229	1.5
605.27563	79.3
606.27740	5.6
637.30176	100.0
638.30505	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	637.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	1.3
57.84087	1.1
67.05506	3.9
69.07067	2.2
71.52763	1.2
71.53220	1.5
77.45640	1.2
79.05502	2.2
81.07056	2.4
85.56713	1.2
86.09720	1.2
91.05473	2.4
93.07044	1.6
95.04955	1.1
95.08649	1.3
97.98983	1.0
98.21099	1.6
98.98488	1.7
105.07047	1.9
107.04955	1.3
107.08593	1.5
109.10178	2.0
119.08608	2.1
125.00026	2.3
131.08539	1.8
144.08128	1.9
172.11308	1.1
172.78738	1.1
176.14377	3.9
178.36559	1.1
184.07321	8.9
184.69420	1.1
185.07669	2.0
202.15921	17.6
203.16241	5.7
220.16966	12.5
221.17358	4.6
226.25426	1.1
228.22559	1.1
260.99451	1.2
266.15988	1.2
275.20120	1.7
300.13580	17.7
301.13965	7.6
337.90692	1.1
391.19464	1.8
399.16028	1.6
400.17041	2.0
401.17520	3.8
402.18710	1.6
407.22260	1.5
413.17682	2.7
414.18466	1.8
415.19308	6.4
419.18451	1.7
419.23111	1.6
427.19653	1.8
428.20193	2.1
429.21021	3.4
430.21985	2.4
431.18701	2.2
443.22586	2.7
444.19498	3.3
445.20233	3.5
447.18353	4.1
457.20700	2.8
458.21060	1.8
459.18005	1.7
461.19672	1.9
462.20370	3.1
465.35907	2.6
471.21997	7.9
472.23419	1.9
473.19922	4.0
474.20810	2.8
475.16803	1.9
485.19778	1.8
486.20697	3.4
489.23093	6.0
490.20059	3.9
499.21411	17.4
501.23016	6.3
502.20151	1.8
503.20709	2.8
507.24054	2.4
516.21136	1.6
517.22351	15.5
527.21002	3.5
529.22369	7.5
531.24182	1.6
535.23352	9.8
545.21869	45.4
546.22815	1.6
555.20172	2.0
559.23407	16.3
563.23297	2.5
573.21301	13.5
577.24353	3.8
587.23468	1.8
605.23975	100.0
606.24646	2.6
619.25458	3.8
637.26550	67.4
637.40723	4.1
638.26752	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	637.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07015	0.6
67.01735	0.4
67.05434	0.8
69.07018	0.5
69.26587	0.6
69.26988	3.5
71.08549	0.4
79.84238	0.4
81.06994	0.7
83.08545	0.5
91.59082	0.3
93.06960	0.5
94.46297	0.4
95.04884	0.4
95.08559	0.5
98.21306	1.7
98.84071	0.4
109.10102	0.6
114.77431	0.4
119.08521	0.4
140.20425	0.4
149.02380	0.4
182.09479	0.4
221.10779	0.4
302.92447	0.4
336.14590	0.4
337.36520	0.4
363.16141	0.8
375.16391	0.5
377.17624	1.3
378.18414	0.7
384.14786	0.6
385.14548	0.9
386.15427	1.2
387.16467	0.6
388.17413	0.9
390.19186	0.6
391.19125	1.4
392.20224	0.9
393.20609	2.2
399.16397	1.9
400.16757	2.5
401.17783	2.8
402.18481	1.0
403.19135	0.7
405.21045	0.9
406.21622	0.6
407.22305	2.9
411.15823	0.5
412.17331	0.7
413.17960	2.0
414.18478	4.2
415.14618	0.6
415.19302	7.8
416.20248	0.8
417.20700	1.3
419.18491	0.7
421.19809	2.2
424.16074	0.5
425.17444	1.2
427.19147	1.5
428.20465	3.3
429.15839	0.7
429.21335	7.5
430.21930	2.1
431.18344	0.9
434.20758	0.6
435.21725	1.9
437.17670	0.5
439.19476	0.9
441.17120	1.4
442.17792	1.3
443.18167	3.2
443.22525	4.0
444.18539	4.0
445.20267	2.6
446.21338	0.6
447.17291	0.7
447.22498	0.7
448.18909	0.5
455.18790	0.8
456.19437	1.4
457.20303	5.3
458.21158	4.4
461.19351	1.1
462.21170	0.5
469.16183	0.5
470.16849	0.6
471.22333	6.6
472.23239	5.6
473.19330	4.2
474.20386	1.1
475.21674	0.6
483.18433	0.5
484.19058	0.9
485.19873	2.7
486.20547	6.1
487.21405	2.8
488.21979	1.7
489.22830	1.3
490.19818	3.5
498.20486	0.5
499.21359	9.9
500.21753	3.3
502.19952	0.7
503.24725	3.5
504.21939	0.5
507.23904	0.6
513.19440	1.3
514.19739	1.0
515.20886	0.6
516.21820	0.9
517.22363	3.8
527.20758	3.0
528.21588	0.8
530.23425	0.7
531.23926	13.1
532.24213	0.5
539.39679	1.1
543.23859	1.2
544.21179	0.7
545.22058	1.1
549.24695	1.2
559.23376	99.8
560.23755	3.4
587.22876	17.4
605.23602	0.8
619.25476	100.0
620.25696	2.8
637.26526	9.7
637.35730	0.8
637.43146	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76040	3.6
67.05498	9.3
71.52874	4.2
73.93834	2.9
79.05464	5.7
81.03389	4.0
81.07047	8.7
83.08611	5.6
91.05506	4.5
93.07031	4.9
95.08638	7.0
105.07028	4.1
107.08591	3.7
109.10184	5.2
124.99866	3.1
150.05476	5.4
208.16345	3.0
275.20068	7.5
392.19962	3.6
393.20416	4.7
400.17145	5.9
407.22452	6.0
415.19186	7.7
421.20062	5.3
428.19888	5.1
429.20810	5.5
435.21680	4.4
444.19403	4.8
445.19614	4.2
458.21094	4.9
471.21710	6.3
473.19586	4.1
485.19641	6.4
486.20313	6.3
488.21982	4.1
489.22919	5.1
490.19479	4.7
499.20776	7.3
500.21738	3.6
513.18811	7.0
517.15228	3.7
517.21960	14.8
527.20874	4.7
531.23938	9.1
539.39166	8.3
545.22229	4.3
549.24841	9.8
559.23486	75.1
587.22876	12.7
591.26129	3.8
605.23700	11.3
619.25525	73.9
637.26337	100.0
637.42017	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	636.4467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.1
55.01879	6.5
55.05508	23.6
57.03442	2.7
57.07067	2.0
67.05143	1.2
67.05503	23.6
67.77620	1.1
68.75488	1.2
69.03416	3.4
69.07064	11.3
71.04982	3.0
71.08622	2.0
75.77889	1.2
79.05489	29.9
81.03422	3.2
81.07055	49.8
83.04974	6.1
83.08201	1.7
83.08612	12.1
83.13106	1.2
85.06561	2.0
89.06004	2.0
91.05479	27.0
93.07044	22.4
95.04967	14.9
95.08611	12.2
97.06517	4.8
97.10168	15.9
105.03422	1.1
105.06406	1.6
105.07030	18.1
107.04955	8.6
107.08585	15.2
109.06519	7.4
109.10176	6.2
111.04423	5.3
111.08077	3.9
117.07018	11.7
119.04947	1.9
119.08570	21.0
121.06478	7.8
121.10127	9.5
123.08061	7.1
125.05997	1.3
125.09607	12.8
129.07033	6.0
131.08572	13.5
133.06506	4.3
133.10124	12.0
135.08055	4.8
135.11696	4.9
137.09604	4.0
139.11163	1.9
143.08546	4.9
145.06450	1.5
145.10132	15.6
147.08046	9.0
147.11667	6.0
149.09636	10.5
149.13289	2.5
153.09109	4.3
153.12727	1.7
155.08560	1.9
157.10121	4.8
159.08102	1.5
159.11665	8.0
161.09605	5.8
161.13303	2.1
163.11165	9.3
165.09088	4.0
165.12663	1.4
171.10234	1.3
171.11707	3.2
173.09666	3.3
173.13222	2.5
175.11250	2.5
177.12726	1.7
179.14244	1.4
181.12244	4.0
183.11707	1.7
184.07346	2.5
185.13332	2.0
187.11209	2.2
189.11209	13.0
189.12746	2.1
189.64873	1.3
189.88573	1.3
191.10687	4.6
193.12231	1.3
195.11725	1.4
195.13885	1.5
205.12181	1.4
221.94693	1.2
223.13219	5.9
227.12773	4.3
227.17888	1.7
229.65196	1.4
237.16342	1.6
239.18134	1.1
245.19005	3.2
249.14787	3.7
255.17490	3.6
257.19028	3.9
263.20114	1.3
273.18481	31.4
275.20059	19.3
278.17181	1.3
291.19534	100.0
292.19879	3.6
293.21146	2.3
309.20584	4.1
467.31348	1.2
471.31128	1.6
485.32700	1.9
576.23340	7.2
577.24341	2.1
609.81610	1.2
636.24988	3.3
636.43182	1.6
637.26025	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	636.4465
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	9.2
55.05323	2.4
55.05513	27.6
60.26328	2.3
67.05508	37.3
69.03424	6.5
69.07075	14.1
71.53274	3.2
79.05492	43.0
79.25702	2.5
81.03398	8.9
81.06594	4.3
81.07053	62.8
83.04978	10.1
83.08623	15.6
85.02882	3.0
85.06507	4.0
89.06045	2.5
91.05482	33.0
93.07036	27.3
95.04960	18.9
95.08599	21.4
97.06541	6.4
97.10172	18.6
103.05434	3.3
105.07018	25.9
107.04975	13.7
107.08596	17.6
109.06516	11.4
109.10142	10.4
111.04446	10.4
111.08069	4.2
117.07018	17.9
119.08573	29.8
121.06498	7.1
121.10152	13.3
123.08051	10.0
125.09634	14.7
129.07005	7.1
131.08562	15.1
133.06447	2.9
133.10156	14.7
135.08060	6.5
135.11668	9.9
137.09615	6.2
143.08537	5.5
145.10103	19.0
147.08072	14.0
147.11664	9.4
149.09624	10.1
151.03909	11.4
151.11278	3.2
153.09090	5.3
157.10127	5.6
159.11671	6.1
161.09671	6.3
163.11177	13.1
165.09154	5.5
171.11682	5.3
173.09627	3.3
173.13235	4.1
175.11140	3.1
177.12737	3.0
181.12196	5.0
184.07330	4.9
189.11234	13.4
189.12753	3.1
191.10667	4.6
195.06566	3.5
223.13205	5.6
227.12753	3.5
247.20636	3.2
255.17365	3.9
257.18958	4.1
273.18497	33.3
275.20001	14.3
291.19553	100.0
309.20798	5.1
432.92612	2.7
636.41589	3.3
637.26422	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	636.4466
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47772	3.4
53.03936	10.6
55.01862	17.1
55.05507	39.6
57.03415	5.1
57.07038	4.0
65.03936	4.2
67.05506	54.9
69.03421	6.4
69.07059	29.4
69.18896	8.8
69.19304	38.4
71.04990	6.6
78.74960	3.9
79.05492	45.0
81.03405	17.0
81.07053	70.6
83.04961	11.3
83.08629	53.1
91.05479	45.5
93.07041	41.1
93.29935	3.2
95.04968	66.9
95.08604	39.5
97.06524	17.7
97.10170	24.0
98.98428	3.6
99.08080	4.7
105.07029	39.0
107.04958	34.0
107.08594	35.0
109.06505	20.5
109.10150	24.2
111.08054	12.5
117.07026	18.5
119.08581	36.2
121.06521	5.8
121.10146	30.1
123.08044	14.5
123.11674	5.2
125.09610	15.2
129.06958	8.0
131.08569	28.0
133.10141	20.0
135.08043	11.9
135.11685	14.5
141.07001	4.4
143.08597	4.9
145.06511	4.4
145.10104	31.0
147.07999	13.5
147.11652	13.4
149.09610	32.1
151.03893	4.2
155.08549	7.3
157.10107	8.2
159.11658	13.0
161.09615	6.5
161.13277	8.5
163.11197	42.0
165.12732	7.7
169.10120	4.5
171.10312	3.9
171.11710	7.2
173.09665	5.2
173.13216	5.4
173.32520	3.2
175.11243	4.7
181.12215	4.4
183.11661	3.3
183.75473	3.3
184.07329	11.7
189.11192	22.3
191.10670	5.6
195.06522	3.9
205.12364	5.0
223.13287	37.1
227.12810	6.4
229.19661	3.7
239.17957	10.8
247.20366	3.7
257.19006	16.7
264.55719	4.0
273.18387	21.4
275.20056	100.0
291.19528	67.5
293.21121	99.0
309.20483	22.2
464.34338	4.2
465.35657	8.5
540.09735	4.3
573.40540	3.6
637.26624	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	635.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22681	1.7
53.03936	5.2
55.01868	8.4
55.05511	22.0
57.03431	18.4
57.07067	12.2
61.02925	62.4
65.03943	2.1
67.05511	12.4
69.03426	26.3
69.07066	32.1
70.77287	2.2
70.77614	3.6
71.01350	3.4
71.04993	5.1
71.08630	8.8
73.02917	26.5
75.61519	1.5
79.05491	8.3
81.03416	22.1
81.07056	18.5
81.32394	1.5
83.04980	5.6
83.08618	28.8
85.02906	83.3
85.10186	3.4
87.04479	3.2
91.03954	51.8
91.05470	9.0
93.07015	11.8
95.04969	4.8
95.08607	10.3
97.02888	66.2
97.06540	6.0
97.10176	22.4
99.04440	12.8
101.02385	6.3
103.03934	6.0
105.07023	4.5
106.99583	1.6
107.08588	12.2
109.02890	12.5
109.06503	3.2
109.10144	6.8
111.04453	3.2
111.11719	7.6
115.03925	4.3
117.05471	2.2
117.07091	2.0
119.04922	5.8
119.08578	6.8
119.28926	1.6
121.10146	10.8
123.11773	3.5
127.03922	29.0
129.05470	6.9
131.08589	3.2
133.10138	6.6
135.11668	9.0
137.06004	2.7
137.13252	2.5
141.05492	2.1
143.08604	2.2
145.04973	19.0
145.10144	5.1
147.04401	17.9
147.11676	3.5
149.02327	1.6
149.13271	4.1
154.04790	1.7
157.10089	1.5
159.06586	1.8
159.11703	4.7
161.13293	1.6
163.06065	5.6
164.46443	1.5
165.05470	2.5
171.06519	2.7
172.95238	3.0
173.13203	2.1
175.14732	2.3
177.16466	2.4
183.06554	11.6
184.07373	2.8
187.14868	3.0
189.16435	3.7
199.14815	2.7
201.07574	11.7
201.16470	4.5
205.15906	2.3
212.31062	1.6
213.16261	2.7
219.08505	2.5
219.17490	2.1
219.21118	4.1
228.97493	2.0
237.22124	25.3
255.23227	3.1
311.25797	100.0
312.56232	2.0
313.45963	1.8
339.25342	5.1
353.26801	3.1
367.00272	1.9
381.26382	2.3
395.28098	2.1
407.32996	4.1
437.29102	4.0
455.29895	15.4
473.19611	3.1
473.31058	5.8
506.37735	1.8
538.74268	1.9
556.06183	2.0
603.74078	2.1
635.36639	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	635.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.9
55.01657	0.6
55.01876	5.0
56.05024	1.6
57.03426	0.8
61.01155	5.0
61.02905	0.9
62.21062	0.7
63.78177	0.7
67.05499	1.2
69.03423	4.7
70.06576	0.8
71.04985	1.6
72.04514	8.2
73.02919	1.5
78.03781	4.2
79.05466	1.9
80.05014	1.1
81.03423	14.2
84.04469	1.0
85.01144	0.7
85.02905	6.4
85.06546	1.6
86.06069	26.2
86.09712	0.8
86.99068	1.3
87.02682	2.1
88.02222	7.6
89.07155	1.5
91.05489	1.7
93.07050	1.7
95.04971	13.2
96.04430	0.7
96.90870	0.6
97.02894	8.0
98.06055	10.0
98.06726	0.8
98.06940	0.5
99.05571	1.7
100.03956	1.2
100.07594	1.0
102.03773	9.9
103.02165	1.1
103.05453	2.2
104.05326	3.5
105.07021	1.3
106.06549	2.1
107.04955	9.8
108.04472	1.1
109.02901	5.1
109.06535	0.8
110.06045	1.1
111.16820	0.6
113.05968	1.6
114.03751	15.4
115.02162	5.0
115.08672	8.7
118.06596	0.8
121.06490	5.2
123.04424	3.2
124.03954	24.3
124.04850	1.5
124.07581	3.0
124.37661	0.7
125.02351	100.0
125.07079	0.9
126.02744	0.8
126.05531	1.4
127.03914	2.0
128.07118	0.8
130.08650	1.3
131.04919	2.0
131.06387	2.2
132.04791	12.8
132.08040	0.7
133.06520	1.2
135.04424	1.1
135.05461	0.9
136.03928	3.1
137.05963	0.7
138.05540	0.7
141.06569	1.8
142.08626	6.7
143.06453	0.9
145.04971	1.1
147.05959	0.9
148.06630	2.0
148.07657	1.2
149.06001	4.0
149.07434	14.3
150.05489	4.3
151.03903	19.4
153.05476	1.5
156.08321	0.9
156.10228	0.9
157.07942	3.0
157.10928	0.9
158.06232	0.8
159.04391	2.6
159.05779	1.3
160.07571	0.8
161.05884	0.8
166.06900	2.4
175.07646	0.8
175.09007	4.0
176.07069	2.7
177.05479	5.4
177.06772	1.3
178.04967	9.2
180.06511	0.8
184.04256	4.4
184.07903	2.7
184.09712	4.5
188.07100	1.1
191.08604	1.1
195.06500	1.5
204.06645	2.7
206.08124	4.5
210.09431	1.1
221.09355	0.7
224.09151	1.1
227.13907	1.9
237.06897	2.0
237.10579	5.8
243.11636	1.1
245.09576	2.3
248.09174	4.7
254.08435	6.0
255.07994	22.3
260.11862	3.3
261.12677	4.5
265.06412	1.0
272.09442	1.3
273.09055	13.7
281.13263	1.6
287.05414	1.0
287.14191	1.0
294.08865	0.7
299.14203	1.9
307.10992	4.7
325.12170	16.6
343.13214	30.6
367.13187	2.3
385.14365	5.8
434.14554	0.8
437.17355	2.3
452.43835	0.8
455.18536	5.3
469.16058	0.8
487.17410	8.8
505.18506	93.8
506.18713	3.6
617.23755	31.1
618.24481	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.4308
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01603	1.7
53.03939	3.8
55.01868	7.6
55.05511	25.2
57.03424	2.2
60.81570	1.5
65.03925	2.5
67.05505	36.4
69.03428	3.4
69.07069	13.2
70.15003	1.3
71.04990	2.9
71.51089	2.2
79.05490	32.5
81.03400	6.4
81.07053	67.7
83.04980	9.2
83.08611	16.7
85.02914	1.8
85.06527	3.1
91.05477	30.1
93.07047	30.8
95.04967	27.5
95.08603	17.7
97.06518	5.7
97.10170	14.1
103.05456	3.0
105.07029	27.5
107.04965	12.5
107.08592	21.6
109.06517	12.9
109.10158	15.2
111.04408	4.7
111.08058	3.8
115.05441	2.6
117.07020	13.8
119.04994	1.4
119.08575	31.3
121.06479	10.9
121.10141	14.4
123.08065	6.3
123.11717	2.3
125.09621	13.9
128.06192	2.8
129.07004	5.4
131.08568	16.0
133.06444	3.6
133.10132	22.5
135.08052	12.8
135.11694	6.2
137.09599	4.0
141.06979	1.7
143.08572	6.5
145.06506	3.3
145.10126	16.5
147.08031	14.4
147.11685	8.2
149.09612	16.7
149.13281	2.0
151.11168	7.1
153.09076	2.5
155.08600	2.7
155.64137	1.7
157.10095	5.3
159.08022	4.0
159.11678	6.2
159.19200	1.4
161.09633	8.7
161.13240	2.6
163.07526	2.7
163.11140	15.0
165.09085	3.3
165.12639	1.5
169.10078	2.3
171.11691	3.1
173.09598	4.6
173.13289	1.6
175.11089	3.6
177.09114	2.0
177.12650	1.8
181.10020	1.5
181.12228	2.8
181.92590	1.6
183.71744	1.6
185.13231	1.5
187.11093	2.0
189.11227	11.7
191.10660	5.9
193.12308	2.8
195.11684	1.6
197.13246	1.5
199.14743	2.2
205.12239	2.8
212.17580	1.4
223.13268	11.5
227.12741	3.7
227.17978	1.5
233.15549	1.4
237.16425	1.9
239.17953	3.0
245.19090	4.4
249.14919	3.1
255.17458	6.8
257.18970	3.0
260.96213	1.3
263.20023	3.0
273.18491	37.6
273.21317	2.9
275.20059	32.7
289.17941	3.2
291.19543	100.0
291.56613	1.5
293.21060	19.8
301.54404	1.8
309.20627	4.6
389.05957	1.7
457.28125	1.6
487.30435	1.8
532.31488	1.6
581.37872	2.1
599.39160	2.5
650.96991	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.4313
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.1
53.20448	1.3
55.01868	5.6
55.05304	1.4
55.05510	14.2
55.57152	1.4
62.59293	1.6
67.05508	16.9
69.03423	4.9
69.07063	7.0
70.19571	3.4
70.19965	3.1
73.81599	1.5
79.05495	22.0
81.03423	6.1
81.07050	33.4
83.04961	4.2
83.08614	10.5
84.23788	1.8
88.31541	1.7
91.05490	13.3
93.07045	16.6
95.04970	13.3
95.08595	11.8
97.06517	2.9
97.10178	9.8
98.20882	2.4
105.07025	12.8
107.04949	8.4
107.08607	9.4
109.06541	7.3
109.10145	4.9
111.04433	5.9
111.08086	3.0
117.06982	9.7
119.04949	2.0
119.08590	13.0
121.06503	6.7
121.10118	5.8
123.08049	6.9
125.09623	8.2
128.06194	1.6
129.07002	4.8
131.08543	8.7
133.06429	2.5
133.10124	5.3
135.08043	4.3
135.11658	3.1
143.08569	4.2
145.10078	7.9
147.08044	9.1
147.11674	2.6
149.09618	6.2
153.09073	2.7
153.12772	2.5
155.08690	1.6
157.10159	5.1
159.11676	4.6
161.09615	4.3
163.11163	7.1
165.09091	2.9
171.11732	1.8
173.09682	2.9
175.11266	2.9
181.12259	3.7
186.29593	1.6
189.11203	5.5
191.10651	4.2
193.12265	2.2
223.13287	6.0
227.12801	4.1
245.19016	2.8
249.14957	3.7
255.17406	3.3
269.35037	1.7
273.18466	25.0
275.20151	4.7
289.17996	3.3
291.19525	100.0
293.21124	2.6
300.13501	1.7
309.20593	2.1
575.22577	2.1
581.37909	5.5
599.39252	2.1
634.40607	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06366	1.1
55.01854	1.1
59.85078	1.0
65.03935	4.7
67.05505	2.5
69.21400	3.5
69.21806	8.8
77.49800	1.3
79.05485	2.0
81.03418	1.8
81.07026	1.5
85.02895	1.5
91.05472	3.5
92.79972	1.2
93.03417	5.6
93.07047	2.6
95.04969	2.0
97.06485	1.4
103.05441	3.1
106.04162	4.6
107.04958	4.9
110.03674	6.2
111.04436	8.3
121.02873	3.2
121.06477	6.0
125.06005	5.6
131.04890	1.3
135.04353	2.0
137.06006	3.7
149.05948	8.0
151.03896	1.5
151.07512	1.3
153.05453	13.8
153.09096	3.7
161.05943	2.1
161.09622	1.2
162.06726	1.2
163.03949	2.5
165.05560	1.7
167.07074	2.7
177.05478	6.0
181.08589	6.8
195.08098	2.3
197.09697	1.3
209.08075	35.2
209.09972	2.3
210.06807	1.7
220.08841	1.3
221.06004	1.5
223.07539	2.1
225.09155	3.1
238.06363	1.7
238.09900	2.2
239.07021	2.4
240.07866	4.4
253.08632	9.5
253.12288	4.5
254.09418	2.7
255.10193	2.9
266.09381	2.1
267.10181	2.4
268.07440	2.5
281.08002	3.5
281.11728	4.5
283.09766	6.1
284.10300	2.3
285.11319	2.0
287.05450	2.0
288.05835	2.6
295.09763	2.3
298.11829	1.5
299.12753	5.2
309.11197	3.9
310.12091	1.5
313.10660	8.5
313.14105	2.5
316.13483	1.3
327.12234	17.9
328.13144	1.5
331.15277	2.4
341.13797	3.5
359.14886	100.0
360.15436	1.3
371.14865	4.8
389.16000	1.3
631.55682	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.398
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01006	3.2
53.03933	8.7
55.01855	10.0
55.05509	30.7
57.03423	10.1
57.07067	2.8
57.56997	2.6
65.03935	7.4
67.05506	100.0
69.03432	29.6
69.07062	21.0
71.04977	5.9
71.51611	5.4
76.08415	2.9
79.05073	4.8
79.05492	59.3
81.03416	24.9
81.06599	4.8
81.07056	96.2
83.04967	11.6
83.08621	16.0
85.02907	4.4
85.06551	7.0
87.04463	3.7
91.05475	47.4
92.59822	2.7
93.06502	3.1
93.07051	49.4
95.04975	38.6
95.08611	40.6
97.02886	7.1
97.06516	4.5
97.10163	13.2
99.04412	3.1
103.05489	3.0
104.51981	2.8
105.07030	43.7
107.04926	14.8
107.08582	30.8
109.02873	4.9
109.06523	46.9
109.10160	45.3
111.04413	7.2
111.08048	5.9
112.98096	3.6
113.05935	4.0
115.05425	6.2
117.07018	24.7
119.08578	49.6
121.06499	13.2
121.10138	19.9
122.07303	4.3
122.10388	3.6
123.08062	12.1
125.09658	16.9
127.03996	3.6
128.06235	4.4
129.07004	15.1
131.08551	28.8
133.06488	9.1
133.10159	22.4
135.08061	26.8
135.11694	10.6
137.09644	13.9
141.06964	5.5
143.08612	15.8
145.06476	3.8
145.10133	23.9
147.08047	12.1
147.11667	12.2
149.09608	8.1
149.13260	3.2
151.07521	9.0
153.09042	4.5
155.08566	8.7
157.10152	10.5
159.08044	7.9
159.11694	12.8
161.09601	13.2
161.13226	7.3
163.11157	11.2
165.09142	4.3
167.10646	3.4
169.10074	5.5
171.08147	3.9
171.11699	9.6
173.09482	4.4
173.11754	13.8
173.13223	7.1
175.11145	4.5
175.14822	4.5
177.09047	2.9
177.12717	3.6
181.10059	4.1
181.12143	3.4
183.11653	7.9
185.09616	3.6
185.13315	6.4
187.11261	3.5
187.66164	2.9
189.11200	6.4
189.12737	7.6
193.12120	3.3
197.13318	4.2
199.14827	3.3
213.12552	3.4
217.15889	6.2
221.15288	8.1
229.14417	12.3
233.15497	3.9
248.82892	3.1
249.14894	5.4
259.55280	2.9
261.21786	3.2
271.16824	5.7
273.18503	27.8
277.21378	3.6
289.17938	9.4
291.19543	58.6
291.22614	1.9
292.19812	3.4
301.21585	4.2
341.24872	3.7
369.24567	7.3
387.25165	4.5
540.63251	3.6
597.37689	3.7
615.38916	8.2
633.40521	34.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.4725
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72765	8.4
55.05493	19.8
67.05495	20.0
69.07063	9.2
70.00340	14.1
70.00758	26.6
79.05495	13.2
81.07047	19.4
83.08606	21.9
91.05472	8.6
93.07024	12.4
95.04963	16.5
95.08601	11.8
105.07046	17.7
107.04937	12.3
107.08599	14.6
109.06508	8.9
119.08570	13.9
121.10149	12.1
131.08586	7.9
133.10115	16.5
135.08008	7.8
145.10126	10.1
147.11681	8.5
149.09628	14.0
157.18689	8.8
159.11569	11.0
163.11151	21.0
223.13358	9.3
250.37360	8.7
257.18939	9.8
275.20074	100.0
293.21060	91.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.1
67.01865	0.3
67.05498	0.5
68.99781	0.3
69.03420	0.2
69.81726	0.1
69.82139	0.2
70.13419	0.1
77.03890	0.1
79.05478	0.1
81.03409	0.3
81.07050	0.2
84.94286	0.1
85.02901	0.1
86.09723	0.1
87.65616	0.1
88.77472	0.1
89.03922	0.1
91.05480	0.1
93.07041	0.1
93.98396	0.1
95.05009	0.1
95.08600	0.2
97.02870	0.2
97.06521	0.1
98.20772	0.1
99.04456	0.1
107.04942	0.1
109.02874	0.3
109.06567	0.1
109.10155	1.0
111.00806	0.1
111.04415	0.1
113.78321	0.1
117.03360	0.1
125.05920	0.1
127.03914	0.2
129.01862	0.2
135.04410	1.5
137.02347	0.6
137.06010	0.1
137.09619	1.8
147.04477	0.1
151.03857	0.1
153.01826	4.4
155.10667	0.1
161.02356	0.7
161.05960	0.1
161.62677	0.1
165.09119	1.7
167.06999	0.1
171.02905	0.7
179.03416	0.4
183.10146	0.1
184.07428	0.1
185.05939	0.1
201.05617	0.1
201.11194	0.2
203.03366	0.1
213.05495	0.1
218.05856	0.1
219.06557	0.2
241.04935	0.7
245.04433	0.2
257.04471	0.1
258.28998	0.1
259.06174	0.1
263.05521	0.1
269.04349	0.4
271.05942	0.1
286.04767	0.1
287.05493	100.0
288.05801	2.2
309.13385	0.1
324.91324	0.1
327.14404	0.3
329.06454	0.2
400.76935	0.1
449.10657	0.2
451.13602	0.2
469.14999	0.7
613.18610	0.1
631.20032	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.3473
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65324	4.1
51.86220	3.4
53.03938	12.8
55.01869	10.1
55.05507	26.6
57.03433	7.3
57.07069	8.2
59.04996	6.5
60.63010	3.8
62.38045	3.6
65.03915	6.6
67.05504	48.4
69.03427	26.2
69.07057	26.7
70.77247	9.2
70.77614	8.7
71.01356	4.8
79.05489	73.7
81.03410	45.9
81.07059	49.7
83.04970	21.9
83.08617	15.5
83.32536	3.8
85.02895	11.2
85.06535	6.1
87.04446	4.0
91.05473	48.3
93.07047	41.8
95.04960	28.5
95.08603	34.3
97.02879	15.7
97.06532	9.2
97.10152	5.8
103.05465	12.4
105.07010	34.9
107.04953	80.4
107.08603	24.5
109.02871	100.0
109.06510	22.7
109.10139	23.6
111.04436	18.2
111.08018	4.0
115.05479	4.7
117.07007	19.0
119.08570	22.3
121.06480	24.3
121.10109	20.0
123.04413	7.1
123.08074	10.1
125.05980	6.1
127.03934	19.2
128.06186	4.7
129.07016	13.4
131.04874	8.4
131.08554	23.0
133.06502	7.9
133.10129	18.0
135.04434	10.0
135.08073	10.5
135.11708	5.3
137.05991	7.0
139.03912	74.7
141.05453	36.7
142.07809	5.4
143.08565	14.5
145.06461	9.7
145.10109	16.8
147.08008	7.8
147.11687	12.4
149.06007	32.5
149.09647	4.8
151.03897	11.1
151.07474	6.3
153.05510	11.2
155.08556	15.4
157.10127	14.7
159.08112	4.6
159.11710	15.7
161.05975	5.0
161.09608	5.2
161.13255	8.7
163.11211	5.1
165.05475	57.8
165.06854	4.7
167.07047	61.5
167.08557	12.8
169.10110	9.5
171.08096	5.9
171.11765	11.5
173.09535	7.0
173.13266	11.7
177.05455	57.8
179.06985	6.3
179.08514	8.6
181.08568	7.4
181.10063	7.1
181.12244	6.1
183.08061	5.4
183.11705	12.4
185.09608	5.5
185.13246	5.5
191.07016	11.2
191.14267	6.0
193.10147	9.9
195.06491	25.9
195.11728	9.7
207.11757	7.6
208.12369	5.1
209.08084	86.9
209.09956	6.6
209.13261	6.1
219.11641	6.1
221.09712	5.4
221.15337	9.6
275.19876	4.4
343.18954	5.0
356.13535	4.8
369.23849	4.8
391.26233	6.6
405.26450	5.5
409.27548	8.0
419.25906	15.6
437.26761	9.7
563.29919	6.2
581.30780	13.2
599.31689	6.1
613.33142	8.9
613.48700	5.4
631.34064	6.3
634.70129	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	630.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07085	5.7
58.06610	2.4
67.05502	1.6
67.44227	0.9
68.40911	0.9
69.17187	2.4
69.17592	8.5
70.06586	16.5
71.08605	1.5
79.05492	2.5
80.71058	1.0
81.07069	2.1
85.10192	1.3
88.07632	17.7
91.05457	1.9
93.07069	1.1
98.21542	1.8
100.65797	0.9
102.09177	15.5
104.23452	0.8
105.07047	1.1
119.08562	1.4
131.08607	1.1
147.04430	1.7
149.02336	35.4
149.03352	1.8
177.05438	1.2
193.04961	44.8
197.18344	0.8
219.06535	0.9
228.23225	46.1
237.07556	11.2
287.05591	2.3
288.05792	1.0
297.03946	2.2
313.07129	1.9
341.06598	10.3
359.07608	6.3
385.09161	16.2
429.11786	31.2
531.96057	1.1
612.31537	1.5
630.32721	100.0
631.33154	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	627.4617
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.6
55.01862	18.0
55.05509	32.5
55.71033	3.2
57.03421	6.6
57.07068	3.7
59.04999	3.0
65.03937	6.4
67.05502	100.0
69.07069	36.7
70.23247	10.5
71.05004	5.1
71.08630	7.8
75.04475	4.7
75.42234	2.9
79.05492	83.7
81.03397	5.5
81.07053	98.7
82.34078	3.2
83.04981	10.7
83.08620	14.3
85.06537	7.4
89.06022	4.6
91.05468	58.9
93.07036	85.8
95.04970	13.4
95.08600	64.5
97.06517	16.8
97.10149	8.6
99.08080	7.1
105.07032	53.9
107.04947	12.8
107.08584	45.1
109.06520	16.9
109.10150	28.1
111.08100	6.4
117.06996	16.5
119.08582	43.8
121.06531	6.5
121.10136	30.1
121.10955	4.0
123.08086	7.6
123.11691	11.7
125.09631	7.7
129.07001	8.4
131.08566	31.1
133.10114	30.4
135.08075	6.0
135.11674	17.5
137.09572	9.1
137.13286	3.8
140.18851	3.1
141.07057	3.4
143.08545	9.9
145.06418	3.4
145.10117	26.8
147.08080	3.4
147.11696	23.4
149.09621	11.8
149.13268	8.9
155.08566	5.8
157.10098	8.2
159.11742	20.8
161.13292	10.1
163.11183	9.5
163.14847	4.0
165.12781	6.5
171.11716	9.1
173.13274	12.5
175.14795	5.6
179.14423	3.9
183.11647	5.2
185.13242	3.8
187.14862	9.9
197.13330	6.8
209.13266	3.6
239.17871	5.3
247.20525	4.1
257.18967	8.9
259.20676	6.9
261.22064	5.5
275.20053	65.5
293.21060	12.0
328.68857	3.0
335.25772	26.1
344.57776	3.1
349.23740	16.6
509.27652	2.9
515.37109	4.9
517.40289	3.7
529.38696	9.9
535.41754	6.1
553.42328	3.3
585.88342	3.6
609.45117	31.0
627.46179	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	627.3924
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57136	0.6
55.01848	0.9
55.05494	2.6
56.96558	17.7
67.05505	4.7
69.07047	2.4
71.52116	1.4
71.95247	3.3
72.96043	1.0
74.97588	1.3
79.05496	3.5
81.07058	4.4
83.08637	1.7
84.85067	0.7
84.96024	1.9
91.05453	3.7
92.37790	0.7
93.07021	2.9
95.04932	0.8
95.08598	4.0
97.10167	0.7
99.08027	0.7
105.07034	3.5
107.08582	2.4
109.10110	2.3
110.97541	3.8
115.97802	0.9
116.98604	1.2
117.07012	1.4
119.08572	1.5
121.10123	2.2
123.01192	0.8
123.08086	0.8
128.98604	8.8
129.06937	1.3
131.08600	2.0
133.10141	1.9
135.11681	1.6
143.08574	1.8
145.10092	1.6
146.99632	9.9
155.03749	0.9
155.08643	0.9
159.11667	0.9
161.01201	2.4
161.05989	0.7
161.09590	0.9
163.11240	0.8
165.00729	2.8
169.05318	1.4
169.09973	0.9
170.01215	1.8
171.03357	0.9
171.11659	0.9
179.02290	1.2
189.04289	2.0
197.13181	0.7
203.05894	2.0
223.06340	0.8
240.10457	0.8
241.11096	1.6
252.10207	1.8
259.12213	2.0
263.09604	3.6
270.11325	1.4
275.19949	0.9
277.11017	1.3
277.84164	0.9
281.10730	1.4
303.12653	0.8
315.16263	40.4
331.15897	2.6
333.17334	100.0
334.17691	2.1
349.16739	0.8
351.18402	53.8
352.18814	0.9
356.18927	20.3
357.19174	1.2
369.19370	2.4
374.20010	10.0
463.94849	0.8
527.37506	0.9
529.37921	3.9
591.36938	1.5
600.37250	0.8
627.27643	0.9
627.36841	1.0
627.45892	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	627.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15949	7.9
53.03942	9.8
55.05505	12.2
57.07059	16.0
67.05502	27.6
69.03432	11.8
69.53176	56.3
79.05486	22.2
81.03394	21.5
81.07047	20.2
83.08606	9.2
85.02918	9.5
85.10149	10.5
91.05489	18.0
93.07033	16.7
95.04967	24.0
95.08598	16.5
97.02879	18.3
98.21469	14.4
98.41646	8.4
105.07027	11.3
107.04953	100.0
109.02859	62.2
121.06476	11.9
125.02356	11.4
127.03896	10.9
133.10098	11.5
139.03870	19.5
142.27693	8.0
149.05949	14.0
151.03908	25.6
153.05443	7.7
165.05486	68.3
167.07053	17.0
177.05507	34.6
179.67644	7.1
187.01997	8.1
195.06531	12.9
209.08084	30.3
239.23720	17.1
271.81470	8.3
393.78677	7.8
529.38318	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	627.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	1.3
55.05501	1.4
57.55336	1.0
57.93190	1.1
63.36512	1.2
67.05491	4.0
69.07068	1.6
71.51262	1.3
71.51720	2.1
79.05492	3.3
79.93719	1.1
81.07064	3.0
81.37074	1.1
83.04976	1.3
91.05453	2.2
93.07045	3.3
95.04995	1.2
95.08585	2.3
97.11712	1.1
100.66743	1.2
105.07029	1.5
106.16315	0.9
107.08590	1.8
119.08611	1.4
120.04461	1.6
131.07326	1.3
133.10110	1.4
138.09097	1.2
145.10168	1.8
174.09166	3.6
187.12341	3.9
200.09499	1.2
210.14253	1.1
212.09431	1.7
215.11810	2.8
221.10553	1.2
225.10286	2.9
227.11856	2.0
239.11902	2.0
241.13409	3.1
243.11298	21.6
251.11742	2.7
253.09706	2.0
267.11270	5.4
269.12842	2.5
277.09760	1.9
285.12396	2.1
291.11206	1.4
295.10699	2.5
301.15524	2.4
314.12885	1.4
316.10886	1.6
319.10812	1.6
325.15503	8.9
327.13425	2.9
328.10956	2.1
328.14554	1.6
330.12372	2.3
342.12579	3.4
343.13150	4.7
344.14056	3.2
345.14981	1.2
346.15607	2.3
348.13599	3.6
356.13861	3.1
358.15692	4.2
370.15656	2.7
372.17041	2.1
374.14700	1.3
386.14685	2.1
386.18918	2.2
400.16464	2.9
403.16476	2.3
407.14478	1.5
420.16483	1.5
421.16763	1.5
428.16165	1.2
432.19040	4.9
435.14120	2.4
435.19193	1.7
447.22070	2.3
449.20227	1.7
461.23630	2.7
462.24210	3.9
463.21930	2.5
465.18881	14.5
477.19382	1.9
478.19882	2.4
479.20413	6.0
480.21426	4.6
481.22241	3.1
490.21030	2.2
491.20425	1.6
492.21545	3.8
493.22214	4.1
504.21155	1.4
507.24200	4.6
508.21442	2.9
520.21191	2.4
529.38678	1.3
535.23425	8.9
549.24841	14.0
553.24567	2.3
567.26025	80.3
568.26105	2.7
577.24487	2.2
595.25470	100.0
596.25708	1.7
627.28021	48.0
628.28851	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	627.2807
Annotation	Red chlorophyll catabolite
Peak:m/z	Relative Intensity
50.87466	0.8
55.05506	1.4
67.05490	2.9
69.07056	1.4
70.86164	2.5
79.05488	1.9
81.07047	2.6
86.65305	0.8
91.05470	2.5
93.07033	1.7
95.04967	1.4
95.08577	1.9
105.07045	1.0
107.08594	2.3
113.09569	0.8
119.08603	0.9
120.08130	0.8
121.10137	1.1
122.06036	0.8
125.25424	0.9
126.01730	0.8
126.85386	0.9
131.07326	1.5
131.08545	1.4
133.10118	1.7
136.07533	1.7
145.08852	1.0
145.09985	1.1
174.09166	3.6
186.09172	0.9
187.08679	1.5
187.12331	3.8
188.10742	1.7
196.11316	0.8
197.10730	1.3
203.11827	0.8
211.08696	1.6
212.09319	1.4
215.11836	2.2
223.08501	1.7
223.46161	0.9
225.10219	3.0
225.24783	0.9
226.10809	1.0
227.11795	2.8
238.11006	1.1
239.11807	3.3
241.13400	3.6
243.11288	20.3
249.10220	1.6
250.10674	1.0
251.11786	1.3
252.09081	0.9
253.09801	1.7
265.09625	1.2
267.11230	6.6
269.12894	2.5
277.09714	2.4
285.12381	2.2
291.11105	1.6
295.10767	3.6
299.14001	1.0
301.12366	1.0
301.15488	2.6
309.12308	2.5
314.12946	2.1
315.13614	1.3
316.10794	1.1
316.14481	1.0
325.15460	7.0
327.13556	6.0
328.10764	1.9
328.14462	1.8
329.11566	1.1
330.12335	3.1
331.13153	1.0
334.15594	1.2
342.12418	3.0
343.13129	3.0
344.13974	3.2
345.14462	1.0
348.13501	2.9
351.13324	1.1
354.12241	1.6
355.13254	1.4
356.13974	4.6
357.14822	1.5
358.15515	3.3
360.17236	1.2
362.15067	0.9
370.15521	1.8
371.16260	1.3
372.17160	5.1
382.15524	1.0
385.17795	1.1
386.14679	1.8
386.19110	1.2
390.14725	1.0
400.16565	3.2
403.15976	1.2
405.17191	1.2
407.14670	1.1
416.15836	1.7
418.17859	1.5
422.17371	1.6
431.18616	3.2
432.19037	2.6
435.14349	2.4
436.19424	1.3
437.20023	2.0
445.19977	1.3
447.21594	2.8
450.16507	1.1
452.22842	1.1
460.18863	1.6
462.24469	1.6
463.21765	3.8
464.18121	1.3
465.18900	12.5
465.52802	1.0
477.19061	1.5
478.19986	1.8
479.20612	6.4
480.21567	4.1
481.22250	3.0
490.20285	1.3
492.21436	3.7
493.22012	2.5
494.22818	0.9
504.21176	2.6
507.23965	3.7
508.20578	1.1
517.21710	1.5
521.25385	0.9
529.37891	2.0
535.22980	5.1
537.20587	0.8
540.23041	1.0
541.24091	1.1
549.25037	11.2
550.23511	1.4
552.23090	1.3
553.24609	2.8
567.26031	60.6
568.26483	2.9
568.36194	0.8
577.24207	1.8
595.25470	41.5
596.25854	1.3
609.26642	1.3
627.28009	100.0
628.28320	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	627.243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.3
54.82000	0.2
55.05506	0.3
67.01850	0.3
67.05504	1.1
68.99786	0.3
69.03405	0.2
69.07044	0.4
70.04060	0.2
71.50339	0.2
79.05482	0.9
81.03402	0.7
81.07055	1.3
83.04971	0.3
83.08604	0.2
86.09676	0.2
91.05473	1.3
93.07042	1.0
95.04957	0.5
95.08566	0.3
97.02883	0.2
97.06522	0.3
104.10732	0.2
105.07049	0.5
107.08572	0.5
108.08139	0.2
109.02863	0.3
109.10109	0.2
111.04406	0.3
115.05468	0.2
117.07004	0.4
119.04934	1.5
119.08559	0.3
121.02860	0.5
121.10162	0.2
127.03898	0.5
131.08551	0.5
133.10129	0.4
135.11650	0.2
145.02805	0.9
145.06473	0.2
145.10152	0.3
146.05992	0.2
147.04445	0.4
147.11621	0.2
149.13213	0.9
153.01817	4.3
159.11713	0.4
160.11250	0.2
163.03888	1.5
171.02901	0.9
173.02361	0.3
173.05893	0.2
177.12721	0.2
184.07405	0.3
191.03363	0.2
195.13789	1.3
197.05893	0.2
203.07111	0.3
213.14886	0.2
225.05403	0.3
229.04979	0.4
243.06404	0.3
247.06026	0.3
255.06256	0.2
258.08942	0.3
259.09381	0.2
269.08228	0.2
271.05988	100.0
272.06314	3.2
273.18597	0.3
279.10245	0.2
291.19571	0.2
295.09689	0.2
313.07251	0.2
339.17996	0.5
354.22601	0.2
389.21078	0.3
407.21811	0.2
417.20615	0.8
435.21613	1.0
453.22571	0.3
591.49237	0.2
609.26080	0.4
627.27606	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05032	3.3
56.96579	1.2
63.82772	1.1
69.03421	3.0
70.06596	19.0
70.76442	1.3
71.51155	2.1
72.08166	9.0
79.05478	2.0
81.03413	2.5
83.04969	2.0
84.04505	2.0
85.02899	4.5
86.06066	5.9
93.07027	6.1
97.02885	1.5
98.09686	3.2
98.97566	2.1
103.05489	1.3
107.04962	4.3
111.04461	2.2
112.07607	28.3
114.05535	19.7
114.09169	2.3
121.06481	3.7
122.06024	1.4
122.09663	2.4
122.68719	1.1
124.07543	2.2
128.07097	2.7
129.06961	1.2
135.04425	7.5
135.08040	6.5
136.07570	2.1
140.07104	6.6
142.08635	40.3
145.02856	1.5
146.09677	1.3
148.07576	1.8
150.09111	2.3
151.03854	2.1
163.03902	17.4
163.07539	2.1
164.04259	1.7
164.07071	22.5
164.10721	15.7
165.05473	10.7
174.09158	5.0
181.01723	1.2
190.08704	2.2
192.06560	100.0
192.10178	43.1
193.07332	15.0
206.08084	1.4
206.52888	1.3
215.07301	1.4
219.01700	1.6
224.09203	3.7
237.02890	1.8
239.13901	4.0
244.09767	2.4
262.10785	17.9
267.13431	2.9
273.02972	1.7
273.08237	1.8
276.12375	9.6
283.12930	3.3
286.17520	1.2
291.13596	2.7
291.17010	4.1
294.13373	4.0
303.04874	2.7
309.65997	1.2
319.12863	26.1
319.16556	21.6
320.11020	1.6
338.12598	1.3
351.15579	3.9
363.11835	5.4
363.15613	4.9
371.15918	2.0
389.17081	7.6
395.14517	11.2
403.18576	2.4
421.19632	8.0
433.15936	4.1
447.17728	1.9
456.18680	3.4
461.54288	1.2
465.18716	42.5
466.19150	2.8
528.66687	1.3
627.23694	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	627.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90688	0.3
53.03922	0.5
54.09887	0.3
55.01867	0.6
56.05035	1.6
56.96554	0.8
57.03436	0.7
58.06602	0.8
58.08691	0.3
61.02920	1.1
63.71362	0.3
68.05032	0.3
69.03437	3.3
70.03988	0.4
70.04272	1.6
70.06596	7.3
71.05003	0.3
72.08158	8.2
73.02908	1.2
79.05502	0.4
81.03405	1.3
81.07059	0.3
82.06589	0.4
83.01341	0.4
85.02913	5.2
86.06067	2.9
87.04467	1.1
91.03955	0.4
91.05478	1.2
95.81699	0.3
96.08123	0.6
97.02907	2.1
98.06078	0.5
98.09687	0.8
98.97606	1.8
99.04440	0.6
103.05505	0.3
105.07040	1.4
107.04937	1.0
107.08628	0.6
109.02880	0.8
109.06525	1.1
110.09659	0.8
114.05532	6.4
114.09161	0.9
115.05445	0.9
116.98631	1.2
117.07037	2.4
119.01923	0.6
119.08604	0.6
120.08127	0.4
121.06528	0.6
127.03902	1.2
128.06201	1.5
128.07111	1.1
129.06961	1.9
130.06538	0.5
131.04935	0.5
131.08580	4.1
132.08099	0.6
133.06479	1.8
134.09648	0.6
134.99663	0.5
135.08078	2.3
136.07568	0.7
137.05960	1.3
138.09135	2.9
139.03900	3.1
141.06975	3.0
142.08633	12.9
143.01868	0.4
143.08546	2.1
144.08118	1.1
145.04930	0.6
145.06468	1.6
145.08868	0.5
146.09645	4.4
146.99644	0.7
147.04436	0.6
147.08066	0.8
149.05946	0.4
153.07043	0.4
157.06482	0.9
158.06018	0.4
158.99667	0.5
159.08060	4.5
160.07591	0.7
160.11168	0.4
161.02995	1.2
161.05989	0.6
162.09148	2.0
163.03979	0.4
163.07545	3.1
163.90320	0.3
164.10695	1.9
167.07109	0.6
169.03299	0.3
169.06509	1.4
170.09669	2.6
171.08075	2.2
172.07617	0.4
173.02953	0.6
173.05995	2.1
174.09145	5.0
175.29938	0.4
176.07062	0.4
177.00729	0.8
177.05515	0.4
177.09146	0.5
180.91348	0.3
185.06010	0.5
186.09105	1.8
187.07561	6.0
187.09845	0.5
188.07031	0.6
188.10699	3.5
190.08626	8.1
192.10199	3.6
194.11852	0.5
195.05042	0.4
197.06020	1.4
198.09109	2.8
199.07545	0.8
200.10698	0.6
201.05559	1.1
202.08696	0.5
203.07112	0.6
204.10193	1.1
205.08653	0.7
206.08144	0.8
206.11800	0.9
208.09583	0.9
214.08667	1.4
215.07094	3.1
216.10225	9.5
218.08124	0.4
219.01822	0.6
219.04912	0.5
219.06767	0.6
221.05080	1.0
222.11368	0.8
226.08580	1.7
230.11647	0.4
232.09610	0.5
233.08057	0.9
234.11336	1.2
237.02875	1.2
237.06146	0.6
242.08131	0.4
244.04340	1.4
244.09715	9.0
245.10234	0.5
246.11513	0.3
247.09755	0.5
248.12752	0.6
251.09187	0.4
253.03922	0.4
258.11212	1.5
260.09216	0.8
262.10739	13.3
263.11356	0.4
269.03302	0.7
271.04813	0.7
276.12341	5.3
278.10223	0.9
288.08511	0.3
294.13358	27.3
295.13620	0.7
297.08313	0.5
303.04904	0.6
306.09872	0.7
308.14871	0.5
317.15240	0.6
320.11505	0.4
331.06717	0.4
338.12390	1.1
348.07031	1.0
349.07819	0.5
349.17496	0.6
363.08994	0.6
376.35281	0.3
381.10446	1.0
389.16901	0.4
399.11444	0.9
415.08820	1.6
417.84354	0.4
433.10138	1.2
438.17523	1.1
456.18649	100.0
457.18787	3.7
470.20319	4.2
500.17615	13.5
501.18365	0.5
511.22858	0.9
555.25800	0.4
583.25006	19.6
584.24768	0.7
609.16547	0.6
627.15576	0.9
627.25659	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.1
57.00541	0.1
65.33508	0.1
67.05472	0.2
69.74680	0.7
79.05474	0.2
91.05469	1.0
93.07000	0.2
95.04931	0.2
98.21555	0.2
102.04682	0.7
103.05447	0.3
105.06985	0.5
107.04896	0.2
110.03661	0.6
111.04463	0.1
115.05455	0.2
117.03374	0.2
118.04105	0.2
119.04933	1.0
121.06429	0.2
123.04364	0.5
124.05202	0.2
125.05981	0.4
128.07741	0.1
130.04161	1.1
131.04907	0.5
131.08594	0.1
133.06450	0.3
135.04367	0.5
136.05190	1.0
137.02347	0.2
137.05980	1.0
145.02826	0.2
145.06436	0.2
146.03618	2.0
147.04393	2.0
148.05177	3.1
149.05954	0.3
150.06741	0.2
151.07533	0.3
153.01813	2.8
155.94392	0.1
161.05965	2.5
162.06726	1.0
163.03928	0.8
167.07030	1.4
171.02870	0.2
171.04248	0.2
173.05864	0.2
177.05443	0.3
181.04924	0.5
192.07793	0.2
194.01683	0.1
201.05299	0.2
203.03340	1.9
209.08043	0.5
212.04657	0.1
213.05457	0.3
221.07938	0.2
224.39156	0.1
229.02634	0.2
229.04927	2.8
229.08388	0.1
229.35751	0.1
241.04919	0.5
242.05699	7.7
243.06088	0.2
253.04915	2.9
255.06468	0.2
257.04419	38.8
258.05194	12.1
259.05701	0.5
259.09607	0.1
269.04456	1.2
270.05188	2.1
271.05991	1.0
272.06644	0.2
283.05969	0.6
284.06406	0.2
285.03897	5.9
286.04691	25.2
287.05453	11.1
288.05811	0.4
295.05991	0.5
295.09149	0.2
297.03894	4.1
299.05484	1.0
300.06189	0.4
311.05328	0.3
323.05554	0.3
327.04950	1.4
329.06442	0.1
341.06558	1.5
347.08957	0.2
359.08835	0.2
361.06985	0.2
373.07028	0.6
375.08661	0.4
387.08386	0.6
389.06589	0.5
390.07047	0.2
391.08188	0.3
403.08136	0.9
404.09128	0.3
414.07291	0.2
415.08084	0.7
417.15265	0.5
418.16043	0.7
431.07785	0.2
432.08438	2.5
435.10690	4.2
436.11240	0.2
447.10699	19.3
448.10828	0.8
465.11758	100.0
466.12106	5.2
499.92773	0.1
627.16870	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.4
55.01865	0.4
57.03424	0.5
61.02932	1.2
61.36091	0.2
66.29659	0.2
68.46587	0.1
68.99789	0.2
69.03085	0.2
69.03424	2.8
70.13747	0.5
70.14154	0.3
71.04964	0.4
73.02898	0.4
81.03422	1.3
85.02900	6.8
87.04486	0.2
91.03931	0.3
93.03393	0.1
95.04952	0.2
95.06112	0.1
96.06859	0.6
97.02885	2.2
98.21486	0.2
99.04440	0.5
109.02873	1.2
109.07608	0.3
111.00769	0.8
111.05563	0.2
113.24508	0.2
121.02842	0.9
123.04453	0.3
125.07095	1.5
127.03914	1.2
137.02322	2.8
137.05896	0.2
145.04938	1.1
148.56766	0.2
149.02330	0.4
151.03903	0.2
153.01816	2.9
153.06595	0.5
157.06558	0.2
158.99660	0.2
161.06081	0.2
163.03912	0.5
165.01828	1.7
166.02516	0.3
171.07646	3.4
173.05940	0.4
177.05571	0.3
183.02902	0.9
187.03903	0.2
201.05450	1.3
219.06584	0.2
226.70227	0.2
228.04164	0.2
229.04953	3.6
245.04329	0.2
247.06055	0.7
257.04459	2.4
274.04623	0.5
275.05310	0.3
285.03873	1.2
303.04962	100.0
304.05304	2.2
327.04788	0.2
433.12082	0.3
447.14157	0.3
465.10159	6.8
466.10580	0.2
627.20087	0.4
649.06036	0.2
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
50.48187	4.0
53.03933	7.3
55.01871	32.7
55.05510	37.4
57.03424	15.4
57.07063	5.9
65.03949	5.1
67.05505	88.6
69.03414	5.9
69.07065	72.7
69.21944	48.6
71.04993	6.5
71.08601	6.5
73.11562	4.0
79.05486	67.0
81.03420	12.2
81.07053	80.2
83.04981	10.2
83.08611	23.3
85.06521	5.2
91.05479	69.8
93.07042	56.5
95.04963	17.5
95.08604	60.3
97.06528	48.7
97.10146	12.8
98.20677	8.4
98.98464	5.5
105.07029	71.2
107.04950	13.7
107.08591	38.2
109.06506	9.6
109.10156	22.4
111.08062	4.9
117.07000	24.7
119.08572	56.1
121.06496	6.3
121.10143	35.7
123.08040	5.3
123.11729	5.3
125.09615	8.6
129.07039	20.9
131.08565	34.2
133.10150	43.9
135.08025	8.9
135.11671	20.3
141.06984	9.5
143.08559	24.5
145.06444	5.1
145.10104	39.0
147.08022	6.3
147.11684	26.5
149.09616	13.1
149.13225	11.4
155.08516	22.2
157.10155	32.6
159.11673	40.2
161.09673	5.1
161.13275	24.3
163.11211	5.2
163.14734	4.9
167.08492	7.5
169.10139	14.1
171.11700	28.3
173.13225	14.9
175.11230	5.5
175.14854	7.8
179.08591	4.6
179.14352	5.4
181.10098	7.2
183.11671	12.9
184.07353	7.0
185.13258	18.1
187.14735	11.5
191.14336	4.8
193.10158	4.4
195.11711	9.9
197.13274	16.5
199.14751	6.0
201.12643	4.6
209.13264	12.1
211.14708	10.5
213.16498	5.5
217.19315	4.8
221.13272	9.1
221.19357	4.1
227.18018	4.8
237.16505	6.1
241.19585	15.2
257.19046	7.8
259.20523	17.8
263.20218	5.1
268.08408	4.0
273.18564	14.0
275.20050	31.0
277.21613	8.2
285.21933	5.0
291.19485	8.1
293.21365	6.5
315.23074	5.8
333.24213	12.7
349.23709	19.7
433.20093	5.5
435.32553	11.7
437.34064	12.8
464.18765	4.4
478.19888	6.8
479.20728	10.0
509.36005	7.0
511.37500	5.8
513.35809	10.2
527.37262	27.0
529.39172	6.3
533.39716	10.7
537.34814	5.0
551.41248	5.7
556.37659	5.8
565.24652	26.6
566.24225	5.6
597.45251	5.0
607.43390	59.0
608.43719	7.0
625.26727	76.2
625.36194	7.2
625.44366	100.0
626.26471	12.7
626.44336	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4459
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.2
55.01879	15.4
55.05511	33.2
57.03425	7.0
57.07077	3.6
58.44475	2.5
65.03941	4.1
67.05506	62.0
68.98122	2.4
69.07072	33.9
69.34404	12.2
69.34843	9.2
71.04987	5.8
71.81686	2.7
79.05487	40.1
81.03441	3.6
81.07053	66.7
83.04969	6.9
83.08629	18.0
86.09698	4.0
91.05482	44.6
92.05765	2.7
93.07037	48.2
95.04964	7.7
95.08610	41.1
97.06547	15.5
97.10178	7.8
99.08081	3.2
103.05482	2.5
105.07027	42.5
107.04971	4.0
107.08582	26.3
109.06504	7.9
109.10151	20.1
115.05437	4.1
117.07005	21.9
117.07691	2.4
119.08575	39.2
121.06538	3.9
121.10134	20.8
123.08077	2.6
123.11737	7.4
125.09586	6.2
128.06248	6.5
129.06999	17.9
130.07806	2.8
131.08563	37.5
133.10144	28.4
135.08046	3.6
135.11652	11.9
137.09575	2.9
139.11186	2.1
141.07005	9.6
142.07774	5.4
143.08557	20.6
145.10114	29.6
147.08115	3.4
147.11700	15.0
149.09625	8.9
149.13307	3.1
151.11151	3.8
154.07832	2.9
155.08504	14.1
156.09392	3.7
157.10124	29.7
159.11726	18.9
161.13321	10.8
163.11208	5.3
163.14792	2.4
166.07787	2.4
167.08575	7.8
169.10123	19.5
171.11688	18.6
173.13234	17.5
175.14751	5.0
179.08630	6.8
181.10133	7.2
183.11711	18.3
184.07358	3.0
185.13255	16.4
187.14862	8.9
189.11365	3.0
195.11734	11.3
197.13284	16.8
199.14880	11.0
201.16542	3.6
207.11745	5.1
208.12387	2.9
209.13261	10.8
211.14871	10.2
213.12819	2.4
213.16447	5.2
219.17554	3.0
221.13263	3.2
223.14885	8.2
225.12848	2.6
225.16470	5.7
227.12726	3.3
229.14203	3.5
235.14969	4.3
237.16454	3.5
241.19511	8.5
255.17603	3.2
257.18988	7.9
259.20624	8.4
273.18591	6.1
273.22165	2.8
275.20129	13.0
277.21933	2.9
284.36758	2.8
291.19672	3.4
293.20978	3.0
333.24298	4.3
349.23801	3.8
373.89371	2.7
377.28369	2.9
379.30194	3.5
421.31094	5.3
435.32675	2.9
513.35858	18.9
515.38739	9.0
527.37573	7.0
533.39777	12.1
535.65503	2.9
551.40741	7.6
589.43768	3.5
597.43866	3.5
607.43610	47.5
625.44629	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4458
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	6.7
55.01874	40.3
55.05514	27.9
57.03432	9.7
57.07074	4.6
65.03966	3.4
66.93053	2.4
67.05502	61.1
67.05841	3.8
69.06685	4.4
69.07066	79.9
71.05003	6.2
79.05491	46.6
81.03434	6.2
81.07051	72.8
83.04984	10.7
83.08601	15.1
91.05476	58.6
91.06020	3.2
93.07045	52.2
95.01357	4.8
95.04980	13.7
95.08603	42.5
97.06522	45.4
97.10168	6.0
99.08115	4.4
104.20062	2.8
105.07027	63.7
106.07279	2.5
107.04932	14.8
107.08601	27.1
109.06547	3.8
109.10126	19.7
111.08103	5.4
115.05460	3.5
117.07014	21.0
119.04965	2.5
119.08584	44.6
121.06504	3.3
121.10117	20.9
123.08093	4.9
123.11695	5.2
125.09646	5.4
129.06966	15.9
131.08566	43.4
133.10109	36.4
135.08067	3.8
135.11703	14.2
137.09645	3.2
141.07040	9.0
142.07838	4.6
143.08542	27.1
145.06583	5.6
145.10124	39.7
147.11693	25.7
149.09601	13.7
149.13319	7.3
153.06920	3.1
155.08531	21.0
156.09201	2.8
157.10118	30.4
159.11674	34.2
161.09680	4.8
161.13228	17.8
163.11253	10.5
167.08644	6.3
168.19063	2.6
169.10095	14.9
171.08124	3.2
171.10280	3.9
171.11682	24.2
173.13235	19.3
175.11296	3.3
175.14905	10.4
177.12834	3.9
179.08667	3.4
179.14383	8.6
181.10231	8.9
183.11647	16.0
185.13258	19.6
187.11238	5.3
187.14917	8.7
189.12791	3.0
193.10190	4.3
195.11729	6.0
197.13239	12.1
199.09503	2.4
199.11336	3.3
199.14725	11.4
201.16551	2.9
207.11819	3.6
209.13367	9.0
211.14920	8.8
213.16504	6.0
215.18065	3.7
221.13333	5.0
223.14905	5.8
225.16496	5.2
229.80296	2.9
231.17508	3.7
231.21149	5.1
235.14949	3.3
237.16484	5.8
239.17918	3.7
241.19499	16.9
245.19193	3.2
247.20601	2.9
255.17529	2.9
257.19235	7.5
259.20654	19.9
263.17990	2.9
273.34576	2.5
275.20068	44.2
275.22729	3.3
277.21683	4.0
283.20691	4.1
285.22168	2.6
291.19421	2.8
293.21378	5.1
311.23834	3.9
313.21753	3.2
315.23419	5.7
321.22437	3.8
323.24261	3.5
331.22607	3.1
333.24155	22.1
339.23416	3.1
347.22696	3.2
349.23694	24.9
355.26672	4.1
394.75293	2.3
405.26758	3.0
419.33453	7.1
421.31271	4.5
429.04898	2.6
435.32791	8.5
437.34116	22.0
437.38751	2.1
453.34805	2.9
454.16852	2.8
501.35931	4.5
509.36789	3.5
511.38077	13.2
513.36017	9.0
515.38971	8.0
527.37561	11.6
529.39105	9.4
533.40045	11.1
551.41479	8.5
555.37000	5.6
556.37775	5.3
589.42926	4.3
597.44910	3.1
607.43671	68.3
625.44714	100.0
626.44946	7.8
642.04321	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	625.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.2
55.05494	0.2
61.03453	0.1
65.03933	0.1
67.01852	0.3
67.05486	0.4
68.99790	0.2
69.03419	0.3
69.07059	0.2
70.06592	0.1
71.51747	0.2
79.05477	0.4
81.03413	1.0
81.07040	0.3
83.04981	0.2
83.23672	0.1
85.02884	0.2
91.05473	0.8
93.07018	0.3
94.40869	0.1
95.04969	0.5
95.08587	0.2
97.02871	0.2
97.06521	0.4
99.04470	0.1
105.07016	0.3
106.42496	0.1
107.04952	0.3
107.08569	0.3
109.02864	0.2
109.06516	0.2
109.10133	0.2
111.08105	0.1
119.04917	1.2
119.08582	0.2
121.02846	0.6
121.06481	0.1
121.10123	0.1
127.03921	0.2
129.01868	0.1
137.05971	0.3
145.02815	0.5
147.11595	0.1
149.02396	0.1
149.05974	0.1
151.03935	0.2
153.01820	6.3
160.48320	0.1
161.05959	0.3
163.03896	0.5
165.05450	0.2
167.07048	0.5
169.06499	0.2
171.02879	0.7
173.05956	0.2
177.05579	0.1
181.04938	0.6
181.08704	0.1
187.07570	0.6
189.05467	0.4
193.12271	0.3
203.07001	0.3
209.08099	0.3
215.06947	0.2
225.05499	0.4
229.04959	0.3
235.13269	0.2
243.06564	0.4
247.05843	0.1
271.05991	100.0
272.06274	1.1
282.05240	0.3
283.05804	0.2
286.04581	0.4
287.05664	0.1
301.07178	0.6
305.89017	0.1
310.04669	0.3
311.05548	0.9
325.07050	0.2
327.08643	0.3
339.08646	2.8
405.20688	0.2
407.18500	0.2
416.14667	0.2
433.19888	0.3
451.20966	0.2
463.17557	2.6
589.22931	0.1
597.74237	0.1
625.22375	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1766
Annotation	Isorhamnetin-3-Glucoside-4'-Glucoside
Peak:m/z	Relative Intensity
55.05500	0.5
57.03434	1.9
61.02911	1.0
67.47240	0.3
69.03439	1.6
69.74809	0.6
69.75225	1.1
71.04609	0.6
71.04996	11.8
73.02894	0.4
74.70264	0.3
75.04480	0.8
81.03411	0.7
81.07037	0.4
83.04971	0.8
85.02908	16.6
87.04428	0.4
92.02612	0.6
93.03402	0.6
94.47402	0.3
97.02885	1.5
98.20747	0.5
107.04953	0.3
109.02864	0.3
111.04403	0.4
121.02827	0.7
127.03899	0.8
129.05457	3.3
139.03882	0.6
145.04945	1.1
147.06528	1.1
151.03928	0.9
153.01839	5.1
165.01790	0.4
175.07463	0.4
181.04991	0.6
201.05418	0.4
205.04665	0.3
217.05034	0.5
218.05884	0.3
222.87306	0.3
228.04222	0.7
229.04951	2.3
245.04492	0.6
246.05214	1.2
257.04507	1.9
258.05341	1.6
273.03876	1.1
274.04770	3.5
278.03317	0.3
285.03949	3.7
286.04739	4.9
301.07083	13.2
302.04236	11.7
302.07129	0.5
317.06564	100.0
318.06952	1.3
416.14725	0.3
463.12537	1.0
479.11633	0.5
531.14349	0.3
625.22205	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.176
Annotation	Isorhamnetin-3-Glucoside-4'-Glucoside
Peak:m/z	Relative Intensity
50.19538	0.1
55.01861	0.1
57.03410	0.1
61.02898	0.3
62.92101	0.1
67.01846	0.1
69.03422	0.6
71.04977	0.1
71.49738	0.1
73.02869	0.1
77.74695	0.1
81.03391	0.3
85.02898	1.6
87.04445	0.1
91.03943	0.1
91.05444	0.2
95.04969	0.2
97.02886	0.6
99.04420	0.1
107.04929	0.2
109.02845	0.3
127.03887	0.4
131.04924	0.1
137.05978	0.1
145.04915	0.2
146.06018	0.1
149.05946	0.2
151.03911	0.4
153.01794	0.6
164.58382	0.1
165.05440	0.2
167.06987	0.2
171.02861	0.2
175.03914	0.1
178.08551	0.2
181.04941	0.5
196.09851	0.1
221.88202	0.1
229.04964	0.2
233.08128	0.1
250.10802	0.4
251.11115	0.2
255.06461	0.1
257.04492	0.2
258.05219	8.1
259.05829	0.1
268.11871	0.1
269.12097	0.1
286.04697	31.3
287.05197	0.3
301.07040	100.0
302.07367	1.1
313.06998	0.1
317.06598	0.4
413.16592	0.1
416.14371	0.6
463.12311	9.9
464.12628	0.1
625.23285	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37409	2.1
52.58768	1.6
62.72192	1.8
69.50641	1.6
71.28238	2.0
71.95862	1.6
191.85187	1.9
229.69673	2.6
284.22443	2.0
405.20593	3.6
421.24112	2.2
429.20898	3.3
433.19736	2.3
445.19626	1.8
447.17929	2.9
459.21487	2.9
461.19733	13.5
475.20950	2.4
476.22043	11.2
485.23285	6.3
503.24652	10.2
515.24310	5.8
521.25513	6.2
531.23907	19.7
549.24725	8.6
559.23346	8.1
563.26080	2.3
580.07611	1.9
591.25970	47.1
623.28217	83.3
623.37067	100.0
624.28619	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	624.3954
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.3
54.73873	1.0
55.01876	2.0
55.05510	3.5
56.05028	4.2
57.03427	1.3
60.04535	2.7
67.05509	19.3
69.03430	5.3
69.07056	3.5
70.06591	2.0
71.05014	5.5
71.50999	1.0
79.05492	14.7
80.05011	3.6
81.03409	3.2
81.05795	1.9
81.06609	1.2
81.07056	19.5
82.06592	5.2
83.08611	2.8
85.02888	3.3
85.06524	3.1
86.06107	1.4
86.09698	1.3
87.04447	2.6
91.05487	7.1
93.07041	26.7
94.06560	16.1
95.04970	5.0
95.08607	30.4
96.08126	3.7
97.02872	1.2
97.06533	8.0
97.10202	1.2
103.05482	1.9
105.07030	13.1
106.06567	1.1
107.04951	2.6
107.07343	3.7
107.08578	3.2
108.08149	1.2
109.02892	1.3
109.10159	5.2
110.09698	11.3
111.08082	16.1
119.04876	1.6
120.08125	2.4
121.10110	3.4
122.09663	37.1
123.04418	1.3
123.08071	34.2
123.11733	3.2
128.10719	34.5
135.11658	1.8
137.05956	1.9
138.09090	1.6
140.10704	100.0
141.09108	17.2
141.10956	1.3
142.12256	2.0
147.04381	2.9
149.13254	1.2
151.03920	1.5
158.11778	9.8
165.05475	3.2
166.05843	1.4
167.07025	1.4
175.07530	1.6
181.04912	2.1
205.19527	2.8
208.30891	1.0
209.08000	1.4
223.20644	2.6
268.22678	5.9
286.23920	5.1
287.05536	6.4
299.05530	1.7
300.06161	1.5
301.07007	2.6
312.25366	2.4
315.08612	3.9
316.09015	4.9
360.28900	1.4
378.30048	4.9
390.29941	9.2
396.31064	2.9
408.31091	68.3
409.31018	2.3
416.14630	1.2
426.32144	69.7
427.32611	2.2
444.33197	9.0
478.14005	1.0
624.21539	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17254	0.7
55.05510	0.9
56.20502	0.7
62.09432	0.7
62.92793	0.7
67.05500	2.2
69.07076	0.8
69.36512	6.9
74.07304	0.7
79.05480	1.4
79.37753	0.7
81.07046	1.3
86.87228	0.7
91.05495	1.8
95.08595	1.6
105.07028	1.0
107.08609	1.1
119.08598	1.0
133.10219	0.8
136.14804	0.7
206.80023	0.8
209.28903	0.7
384.17166	0.7
388.18320	0.8
388.26541	0.8
391.19455	1.8
402.18323	0.9
405.16730	1.4
405.21198	1.4
417.16718	1.5
419.18515	2.8
419.22519	3.1
421.24155	1.7
431.18335	1.4
432.19330	1.4
433.20316	2.8
435.21762	1.4
443.18356	1.2
444.18823	1.0
445.20367	2.9
446.20721	1.6
447.22424	4.3
448.22589	2.0
449.23441	5.7
458.21060	1.1
459.22028	2.4
460.23154	0.8
461.19888	2.3
463.21484	2.5
475.21155	1.6
476.21832	6.0
477.22672	4.7
489.22983	1.7
490.24594	1.0
503.24274	2.0
533.25702	2.6
535.26801	3.2
545.25897	2.0
563.26514	17.9
563.35278	1.0
564.26971	1.0
591.25726	0.9
595.29510	1.3
605.18628	0.9
605.27240	3.4
606.28625	1.6
623.28723	100.0
623.39136	9.4
624.28589	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	623.286
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00163	0.6
86.47158	0.6
91.26776	0.6
105.87223	0.7
109.33504	0.6
116.05038	0.6
121.90623	0.6
165.03781	0.6
340.87698	0.6
389.18594	0.8
390.18399	1.2
391.19287	1.5
401.17911	1.0
402.18954	0.7
403.19943	1.2
404.20685	1.6
405.20728	3.2
406.21301	1.1
413.17883	1.0
414.18140	0.7
415.19296	2.9
416.20291	1.1
417.20789	1.8
419.22913	1.3
420.23425	1.0
421.23804	1.7
427.19482	1.1
428.20129	1.3
429.21033	4.3
430.22156	2.5
431.18521	1.2
432.23492	0.9
433.20056	2.7
433.24860	1.3
442.21722	0.9
443.22543	1.5
444.23019	2.3
445.20178	2.4
446.20953	1.8
447.17694	3.9
447.24692	0.6
448.22534	1.1
457.24402	4.1
458.25067	0.9
459.21503	3.8
460.22870	3.7
461.19464	12.1
462.20380	0.8
472.22980	1.8
473.19440	0.8
474.19962	0.9
475.20340	1.3
475.25775	1.1
476.21902	14.0
477.26538	2.6
485.23557	11.9
486.19812	5.0
487.20670	0.8
488.22098	2.7
489.23062	3.9
493.22302	0.9
497.23557	0.9
500.22168	1.3
503.24478	13.2
506.96210	0.7
513.22821	1.4
515.24426	13.2
521.25555	13.0
531.23956	22.9
535.23279	1.7
545.25781	1.2
549.24988	19.0
550.25140	1.2
559.23291	10.5
563.26575	2.5
564.26801	2.1
591.26019	47.0
592.26404	2.8
595.29626	0.8
623.28613	100.0
624.28894	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	623.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.0
65.91331	0.5
67.05502	1.6
79.05486	0.8
81.03430	0.7
81.07055	1.3
91.05468	1.4
93.07018	1.1
95.08609	0.8
105.07030	1.0
107.04958	0.8
113.09680	0.6
114.14666	0.5
119.08585	1.0
121.10124	0.9
123.96083	0.5
145.10080	0.8
180.76039	0.6
196.84198	0.6
246.83038	0.6
262.10544	0.5
278.21957	0.6
282.89771	0.6
389.17560	1.3
391.19284	1.5
401.17535	1.0
402.18408	0.9
403.19418	1.3
404.19916	0.6
405.20920	2.7
407.22403	1.1
415.19452	0.7
417.16565	1.3
419.22760	3.5
420.23279	1.1
429.16846	1.2
430.17917	2.4
431.17871	3.2
431.23572	0.9
432.18906	0.9
433.20169	5.4
434.20715	0.7
443.18735	2.2
444.19537	1.8
445.19720	3.9
446.20996	3.0
447.22119	4.4
448.22495	1.3
458.21078	6.4
459.21768	5.5
460.22986	4.0
461.19623	1.3
462.20154	0.8
463.21204	3.1
475.21320	1.2
476.22067	0.9
477.22684	1.0
487.25421	0.9
489.19525	0.9
504.24957	0.7
517.22540	0.6
518.23303	3.8
519.23517	1.1
521.21808	0.9
531.24005	1.5
533.25574	6.9
535.27338	0.8
545.25403	2.7
546.26526	1.1
563.26563	4.7
577.28027	1.0
591.25775	0.8
605.27551	10.2
606.29053	0.8
623.28625	100.0
624.29022	6.1
639.75055	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69542	0.4
71.26817	1.1
76.01464	0.5
101.84695	0.5
115.76636	0.4
121.87546	0.4
147.97473	0.5
150.37799	0.5
169.95747	0.5
172.67773	0.6
211.12218	0.6
223.12109	0.6
253.45294	0.4
375.16501	0.6
376.16943	0.8
377.17395	0.8
378.18369	0.9
388.17352	0.6
389.18082	0.8
390.18607	0.8
391.19043	2.5
392.19757	2.2
393.20633	1.4
399.16241	0.7
400.16830	1.0
401.17325	1.3
402.18939	0.9
403.19821	0.7
404.20691	1.2
405.20889	3.4
406.21365	3.2
407.22308	11.4
412.17447	0.5
413.17728	1.8
414.18442	2.3
415.19400	3.8
416.19919	1.2
419.22202	1.8
420.22897	1.3
421.23898	8.2
422.24509	2.2
427.19547	1.0
428.19858	2.0
429.20923	9.6
430.21454	1.7
433.20099	2.1
433.25125	0.8
442.22012	0.7
443.22580	5.6
444.23590	3.5
445.20099	1.6
447.17578	0.9
448.18069	0.6
449.23053	0.7
455.18524	0.8
456.19568	1.0
457.23651	3.2
458.25092	5.4
459.21823	7.2
460.22409	1.9
461.18942	3.5
462.20505	1.6
463.21341	1.4
470.20871	1.6
471.21994	1.4
472.22531	6.0
473.23163	2.0
474.20142	0.9
475.21021	5.2
476.21771	4.3
477.22714	2.4
483.17966	0.7
484.18768	1.0
485.23590	10.3
486.19891	1.4
486.23962	2.8
487.21396	1.6
488.21951	1.3
489.22491	2.9
493.25870	0.7
499.21109	3.3
500.21945	2.6
501.22583	0.6
502.23444	1.5
503.24619	5.8
508.28647	1.0
513.22845	2.5
514.23431	1.5
517.26410	6.8
529.26099	1.3
531.23291	0.9
535.27185	4.0
545.25458	74.0
546.25702	4.0
562.25983	0.6
563.26019	0.9
564.26715	1.0
573.24890	18.1
574.25476	0.9
591.26196	1.8
605.27570	100.0
606.27924	4.7
623.28607	100.0
624.28992	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.269
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	8.1
57.03408	6.7
67.05501	6.2
69.03404	17.4
70.06587	10.4
71.04996	28.3
72.08129	5.7
73.02905	7.5
75.17433	4.3
79.05492	10.8
81.03396	7.5
81.07019	6.9
83.04954	12.0
84.04468	5.1
85.02512	4.8
85.02900	48.4
86.09688	6.7
91.05461	21.2
95.04975	29.2
97.02867	9.0
99.04440	11.5
103.05435	7.1
105.06982	10.9
107.04965	8.5
109.02896	7.8
109.06532	7.1
111.04425	9.9
119.08541	5.0
120.08084	9.0
123.04420	8.7
123.08007	6.3
127.03870	5.9
129.05437	7.7
129.06976	12.2
131.04893	16.1
131.08604	4.8
133.02859	5.6
133.06395	6.1
135.08032	6.1
137.05972	100.0
145.06458	9.4
146.03520	5.8
147.04358	10.1
147.08057	10.1
149.02307	5.7
149.05963	12.1
150.49361	4.4
151.03928	25.0
151.07539	27.6
153.05434	5.6
157.06465	5.1
159.04376	5.9
161.05933	18.1
163.07550	17.5
165.05495	23.1
165.06708	5.6
165.09126	6.6
165.62843	4.7
167.07022	20.0
171.08127	7.3
173.05977	10.8
175.07468	31.8
177.05518	8.2
177.08971	8.4
179.07028	7.1
179.47752	4.2
181.05029	5.3
187.07558	6.4
189.09074	9.2
191.06981	16.9
193.08536	7.1
195.08098	5.7
195.10081	11.7
201.09074	6.0
203.07011	11.9
205.04678	11.1
209.08049	5.5
219.10095	6.9
236.09079	7.2
261.11072	6.0
279.12283	6.2
286.04681	8.6
287.05621	10.3
298.04541	5.2
301.07098	31.8
303.10345	6.2
305.08200	5.2
311.12631	10.0
313.06949	11.5
315.04996	7.4
320.09235	5.1
331.15424	14.7
341.13876	5.8
343.15509	25.2
355.15509	8.0
357.17065	5.6
367.11102	5.3
367.15402	17.4
379.15329	8.6
423.17963	6.8
429.15378	21.0
461.12097	14.2
623.20343	36.9
624.22473	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	623.269
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	8.1
57.03408	6.7
67.05501	6.2
69.03404	17.4
70.06587	10.4
71.04996	28.3
72.08129	5.7
73.02905	7.5
75.17433	4.3
79.05492	10.8
81.03396	7.5
81.07019	6.9
83.04954	12.0
84.04468	5.1
85.02512	4.8
85.02900	48.4
86.09688	6.7
91.05461	21.2
95.04975	29.2
97.02867	9.0
99.04440	11.5
103.05435	7.1
105.06982	10.9
107.04965	8.5
109.02896	7.8
109.06532	7.1
111.04425	9.9
119.08541	5.0
120.08084	9.0
123.04420	8.7
123.08007	6.3
127.03870	5.9
129.05437	7.7
129.06976	12.2
131.04893	16.1
131.08604	4.8
133.02859	5.6
133.06395	6.1
135.08032	6.1
137.05972	100.0
145.06458	9.4
146.03520	5.8
147.04358	10.1
147.08057	10.1
149.02307	5.7
149.05963	12.1
150.49361	4.4
151.03928	25.0
151.07539	27.6
153.05434	5.6
157.06465	5.1
159.04376	5.9
161.05933	18.1
163.07550	17.5
165.05495	23.1
165.06708	5.6
165.09126	6.6
165.62843	4.7
167.07022	20.0
171.08127	7.3
173.05977	10.8
175.07468	31.8
177.05518	8.2
177.08971	8.4
179.07028	7.1
179.47752	4.2
181.05029	5.3
187.07558	6.4
189.09074	9.2
191.06981	16.9
193.08536	7.1
195.08098	5.7
195.10081	11.7
201.09074	6.0
203.07011	11.9
205.04678	11.1
209.08049	5.5
219.10095	6.9
236.09079	7.2
261.11072	6.0
279.12283	6.2
286.04681	8.6
287.05621	10.3
298.04541	5.2
301.07098	31.8
303.10345	6.2
305.08200	5.2
311.12631	10.0
313.06949	11.5
315.04996	7.4
320.09235	5.1
331.15424	14.7
341.13876	5.8
343.15509	25.2
355.15509	8.0
357.17065	5.6
367.11102	5.3
367.15402	17.4
379.15329	8.6
423.17963	6.8
429.15378	21.0
461.12097	14.2
623.20343	36.9
624.22473	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	622.4684
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.4
55.05507	1.1
67.05507	1.8
69.07062	1.0
79.05511	1.7
79.81451	0.3
81.03444	0.4
81.07040	1.3
81.79964	0.3
83.05019	0.4
83.08614	1.2
83.42361	0.3
84.26434	0.3
85.10155	0.4
91.05494	1.3
93.07048	1.7
95.04964	1.3
95.08605	1.2
96.20614	0.3
97.06500	0.5
105.07039	1.3
107.04937	0.6
107.08623	0.9
109.06517	0.4
109.10151	0.4
114.97149	0.4
119.08591	1.4
121.10147	0.8
123.08086	0.5
123.53513	0.4
131.08572	0.7
133.10172	0.9
135.08104	0.5
135.11693	0.6
139.11147	0.5
145.10147	0.9
149.09618	0.8
149.13240	0.4
151.11201	0.5
159.11713	0.6
163.11165	1.2
164.17656	0.3
223.13441	0.4
257.18857	0.6
259.95502	0.4
270.15805	0.4
275.20114	4.0
277.21649	0.9
293.21075	1.7
351.53412	0.4
368.96417	0.4
375.15793	0.8
376.15948	0.7
388.16699	0.7
389.17416	1.5
390.17853	2.0
391.18671	1.7
392.19662	0.6
401.17636	0.5
402.18127	1.3
403.19299	2.5
404.15384	0.6
404.19702	3.8
405.20569	2.3
406.21063	2.2
416.15436	0.6
416.20169	0.8
417.15952	1.8
417.21283	0.8
418.17395	2.6
418.21402	2.3
419.17593	0.8
419.22617	3.2
420.17886	0.6
420.22714	6.8
421.23502	0.7
430.17233	0.7
431.18732	2.5
432.18530	6.3
433.19467	3.2
434.20370	2.5
444.18842	0.8
445.20160	1.7
446.20401	6.3
447.21497	8.2
448.22147	11.5
448.28384	0.6
449.22809	1.0
458.20572	0.8
459.21844	0.6
460.17444	0.8
460.23361	2.6
461.19141	0.4
461.23129	0.6
462.19785	2.0
464.21866	0.5
474.20370	3.0
474.24817	0.8
475.20782	8.6
476.21622	8.8
477.22299	0.8
478.23111	0.5
479.24124	0.5
487.21167	1.1
488.21698	3.5
489.22610	1.2
492.21283	1.4
502.23056	2.5
503.24002	0.7
506.26385	1.3
507.23593	0.5
518.23486	0.5
519.23383	1.3
520.21222	1.1
524.40558	0.5
530.22711	0.7
533.25592	2.1
534.25854	16.8
535.26477	1.9
547.23145	0.4
561.24725	1.7
562.25287	24.2
563.25549	2.6
590.25110	1.0
594.27649	4.0
595.28217	0.5
622.27386	100.0
623.27710	12.5
623.38641	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91393	0.7
55.05500	2.6
57.03429	0.7
58.95750	0.6
60.17651	0.6
60.46289	0.7
66.32864	0.6
67.05496	4.4
69.03416	0.8
71.12086	1.1
79.05488	3.9
81.03433	0.9
81.07052	4.3
83.08603	1.2
91.05476	3.2
93.07048	4.2
95.04948	1.3
95.08599	3.0
97.10167	1.4
105.07018	2.9
107.04986	1.0
107.08574	2.0
109.10167	1.2
117.07039	2.8
119.08572	1.8
121.06445	0.8
121.10128	0.8
123.08105	0.7
125.09570	0.9
129.06978	1.5
131.08582	1.0
133.10112	1.5
143.08565	1.8
147.07996	0.8
147.11685	1.6
152.37077	0.7
155.08516	0.8
157.10097	1.1
159.07962	0.8
159.11737	1.4
164.45238	0.7
167.08644	0.9
169.10156	1.0
171.11713	1.0
183.11731	1.7
184.07425	1.0
190.08633	2.5
191.08830	0.8
209.10843	0.8
223.12309	0.9
269.72961	0.8
271.16922	1.1
288.06314	2.9
289.06595	1.4
289.18146	0.7
306.23196	0.7
340.14624	0.9
346.13702	0.7
360.15024	1.0
363.16156	1.3
368.14346	0.8
374.16376	1.0
375.16159	1.1
377.17828	1.9
378.18384	0.9
386.15189	1.0
388.17316	1.0
389.18030	1.3
390.18930	1.5
391.14890	1.0
391.19437	3.5
392.19864	3.0
393.20776	2.6
399.16110	1.5
400.17316	1.1
401.17712	4.1
403.19403	1.5
405.16672	1.6
405.20993	2.0
407.22348	4.4
413.17725	3.4
414.18390	2.1
415.19391	6.1
416.20255	1.5
417.21335	1.8
418.18280	1.0
418.77811	0.7
419.18750	2.7
421.20352	2.7
427.19641	0.9
428.20541	3.4
429.16193	1.5
429.21686	3.2
430.21606	2.6
431.18658	1.5
433.15933	1.4
433.20917	1.2
435.21780	2.0
443.18219	1.8
443.23288	1.3
444.19562	3.6
445.20282	2.2
447.18326	3.6
448.18958	1.0
449.19604	1.3
456.19788	1.3
457.20853	1.3
458.21033	2.2
460.18951	1.1
461.19357	3.5
462.20325	2.2
463.21384	2.4
471.22275	7.5
472.22949	1.4
473.18552	3.4
473.24509	0.9
474.20425	2.1
475.21274	3.9
476.18512	1.9
477.19376	1.4
483.21973	0.8
484.19281	1.1
485.19675	2.4
486.20444	4.7
489.23611	7.1
490.20309	4.2
491.20361	3.6
499.21317	16.9
500.18570	1.0
500.21835	1.1
501.23154	8.1
502.19675	1.2
503.20993	5.9
507.23746	2.4
508.24744	1.0
511.20862	1.1
513.19476	2.2
514.20038	1.1
516.21326	0.9
517.22308	13.2
527.20947	3.2
529.22382	10.0
535.23584	4.5
545.21832	49.6
546.22021	1.4
555.20233	1.9
563.22833	4.3
564.23468	2.1
573.21112	14.6
577.24597	1.2
578.38263	0.8
591.22089	1.1
605.23895	100.0
606.24451	2.5
623.24988	93.2
623.40881	8.8
624.25287	2.8
625.63318	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	8.3
55.05503	12.1
57.03423	9.1
66.58517	5.5
67.05499	37.4
69.07067	10.9
71.51167	5.9
71.51615	7.7
79.05499	44.0
81.03413	19.4
81.07065	27.4
88.75941	5.9
91.05476	23.5
93.07050	30.1
95.04990	31.3
95.08601	21.0
97.02885	7.3
97.06555	6.5
100.72518	5.6
103.05441	10.5
105.06995	19.1
107.04961	100.0
107.08603	12.6
109.02872	47.7
109.06478	8.4
109.10145	15.8
111.04478	6.5
117.07016	9.6
119.08574	15.2
121.06481	13.4
121.10201	13.2
123.04402	9.7
125.02332	7.3
129.07001	6.3
131.04927	8.7
131.08569	17.6
133.10139	11.7
137.05879	5.3
139.03899	20.0
142.68974	5.3
143.08507	7.0
145.10065	12.1
149.05988	17.8
151.03880	25.2
157.10030	5.5
163.03908	6.0
165.05484	66.1
167.07028	11.2
171.11722	6.9
177.05472	38.6
187.03954	5.4
191.22389	5.9
195.06522	22.2
209.08101	18.8
215.52309	5.3
227.09038	10.8
267.05142	6.2
273.18524	6.7
291.19586	8.3
355.15262	10.0
391.59500	5.5
433.45819	6.7
526.28729	6.4
561.24359	6.1
621.47278	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	621.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	7.3
55.01875	6.7
55.05511	19.1
57.03442	10.4
59.04997	1.1
65.03937	4.6
67.05506	38.2
68.07292	1.1
69.03419	12.9
69.07063	8.9
70.06600	1.1
71.04977	5.0
71.51166	1.6
79.05496	42.4
80.06279	1.3
81.03419	100.0
81.06597	2.4
81.07056	38.9
83.04980	18.0
83.08622	20.0
85.02895	15.3
85.06544	2.4
86.09688	2.1
89.03917	2.2
91.04910	2.6
91.05483	49.1
93.03375	1.3
93.07050	26.8
95.01339	1.4
95.04971	37.4
95.08608	14.9
97.02898	12.3
97.06518	5.5
97.10181	8.3
99.04459	2.6
99.08083	2.0
103.05458	3.5
105.06310	1.7
105.07028	34.5
107.04961	17.8
107.08591	14.9
109.02875	17.6
109.06509	7.0
109.10132	6.0
111.04446	10.6
111.08112	6.6
113.06001	1.8
115.05442	5.5
117.07039	10.7
119.04944	2.7
119.08584	24.4
121.02864	2.9
121.05765	1.2
121.06492	6.4
121.10127	10.1
123.04408	6.9
123.08051	4.5
123.11665	2.6
125.02338	3.6
125.09626	5.1
125.42392	1.1
127.03906	5.4
128.06221	3.4
129.05518	2.5
129.07019	19.9
130.07843	1.5
131.04933	4.5
131.08585	18.3
133.02864	3.1
133.06502	6.9
133.10117	15.6
135.04430	7.1
135.08023	4.7
135.11737	5.3
137.05983	4.4
137.09618	3.2
139.03908	2.3
141.06944	3.1
142.07768	3.7
143.08548	3.9
144.05748	1.3
145.02844	5.6
145.06439	6.3
145.10121	6.6
147.04401	5.6
147.08049	4.9
147.11679	19.8
149.05981	4.9
149.09630	7.2
149.13210	1.1
151.11226	1.5
153.07071	1.4
153.12813	2.1
155.08536	2.2
157.06491	4.8
157.10127	16.2
159.04382	2.6
159.08037	1.6
159.11687	3.0
161.02325	4.7
161.05966	3.6
161.09624	1.9
163.03899	27.6
163.11169	6.6
165.05502	1.4
165.12756	5.0
167.07088	2.3
167.08484	1.4
169.06375	1.4
169.10178	1.2
171.04446	1.4
171.08069	1.5
171.11705	1.6
173.02364	5.8
173.04541	2.6
173.05989	5.2
173.09665	2.3
173.13338	1.3
175.07497	2.7
175.11165	19.2
176.11969	5.7
177.05466	2.4
177.12708	2.7
181.06412	2.3
181.12218	2.2
183.08084	1.8
185.05974	4.3
185.55431	1.2
187.03918	9.0
187.07524	2.9
187.11182	1.3
189.05470	3.8
189.09167	1.5
189.11192	2.6
191.03424	2.3
191.07013	2.2
191.10735	2.3
193.12256	38.6
194.12715	1.4
197.05975	2.2
199.03889	6.3
199.07564	1.9
201.05472	2.4
203.07001	1.7
205.12192	1.6
207.13799	1.4
211.07565	2.2
211.13283	35.4
213.05482	11.8
215.07059	1.5
217.04938	5.1
217.08458	1.6
225.05505	7.1
227.06955	3.3
227.12779	4.6
231.06534	4.8
235.13242	2.3
237.12773	1.6
239.07036	4.3
241.12161	2.0
245.15593	1.5
249.14928	3.8
253.08591	1.6
255.13785	1.9
259.13196	1.5
267.13504	1.7
267.16058	9.9
268.16736	2.8
273.14883	8.0
283.13034	1.7
283.15836	1.4
285.16977	4.8
301.14392	8.4
303.15823	1.6
309.14929	3.7
319.15451	4.0
327.15823	1.4
331.86365	1.5
337.14194	34.3
338.14703	1.5
355.15152	13.0
367.22833	1.8
373.16397	1.6
375.17911	4.4
385.23749	2.3
393.19019	3.2
403.25098	1.4
411.18192	5.8
429.19165	20.6
447.09634	1.5
447.19843	3.3
459.27350	5.0
477.28378	4.1
495.29257	3.0
511.26804	1.6
543.29224	1.4
573.30731	1.9
585.30334	6.9
603.31537	6.5
621.32935	48.9
622.33295	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2702
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
53.30547	0.7
54.97884	0.8
55.05510	0.9
67.05498	1.5
69.94333	4.3
83.08598	1.2
91.05466	0.7
95.08599	1.8
98.21497	0.8
98.98431	0.8
109.10134	1.2
131.08553	0.7
149.09517	0.9
155.01031	0.9
190.17726	0.9
211.13269	1.0
228.46033	0.8
232.09668	0.9
300.79639	0.8
375.16122	1.6
387.15933	1.4
388.16946	1.7
389.17697	3.5
390.18439	1.7
391.19135	1.2
400.16867	1.0
401.17981	1.4
402.18509	1.5
403.19550	5.0
404.20111	3.3
405.20511	1.7
415.19574	1.7
416.15506	1.0
416.20474	1.5
417.16943	3.0
417.21005	2.6
418.21854	1.6
419.22357	7.2
429.16721	1.0
431.17670	4.2
431.23053	2.2
432.19391	1.3
439.59351	0.8
445.20761	5.5
446.21216	4.1
447.21912	7.6
459.18210	4.9
461.19928	3.1
473.19724	2.9
474.20334	10.4
475.21310	16.1
476.22018	1.1
487.21259	5.0
488.21759	1.2
501.22873	3.3
505.26202	1.2
518.23499	1.2
519.20667	1.5
529.22485	1.6
533.25610	8.3
546.22595	1.3
561.24945	36.3
565.27399	1.0
589.24762	1.6
621.27051	100.0
622.27332	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	621.2705
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
56.26647	0.3
66.23309	0.3
67.05508	0.6
69.52632	2.1
81.07065	0.4
91.05479	0.3
95.54719	0.3
105.01000	0.3
105.07067	0.4
108.42350	0.3
111.51134	0.3
221.10645	0.3
223.08739	0.3
283.01886	0.5
303.33081	0.3
336.15042	0.4
374.15100	0.7
375.16434	0.8
376.17038	0.4
377.17526	0.3
387.16107	0.7
388.17038	0.6
389.17523	3.0
390.18359	1.0
391.19193	0.7
401.17828	1.3
402.14276	0.7
402.18607	1.0
403.19553	4.4
404.19833	1.8
405.20935	1.6
415.19272	1.0
416.16159	0.9
416.20593	0.6
417.17120	3.4
417.21146	2.1
418.17133	0.6
418.21768	1.2
419.22366	6.4
420.23093	0.6
429.17062	0.8
430.17874	1.2
431.18143	6.2
432.19110	2.7
433.20166	1.8
443.18774	0.7
443.62021	0.4
444.19507	0.4
445.20074	6.3
446.20981	6.0
447.21863	8.7
448.22626	0.4
458.20969	0.4
459.17255	0.9
459.21866	2.1
460.18503	0.6
461.19800	1.3
473.19708	1.5
473.24258	0.8
474.20282	5.1
475.21268	7.5
477.23016	0.5
478.24133	0.4
487.21338	2.9
488.22107	0.7
489.22894	0.4
491.20135	1.7
501.22821	1.8
505.25861	1.2
505.33423	0.3
519.20490	0.9
529.22290	0.6
533.25519	14.5
546.22803	0.7
561.24969	19.7
562.24976	0.4
589.24487	1.0
593.27753	3.1
621.27057	100.0
622.27124	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.27
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
69.30619	1.0
69.31021	3.9
111.63934	0.5
116.51366	0.6
159.22668	0.5
183.09068	0.6
221.10696	0.6
240.16212	0.6
243.68100	0.5
338.68002	0.5
374.15176	0.9
375.16119	1.5
380.48953	0.5
387.16049	1.1
388.17056	1.7
389.17612	3.4
390.18573	1.7
391.19116	1.1
401.17703	0.9
402.18509	2.0
403.14856	0.8
403.19678	5.3
404.20035	2.1
405.20737	3.3
415.19699	0.8
416.16266	1.6
417.17096	3.8
417.21082	3.4
418.17303	0.9
418.21887	1.4
419.22342	8.1
420.23099	0.8
429.17172	0.8
430.17920	2.2
431.18024	8.9
431.23685	1.0
432.18967	3.7
433.20007	3.0
443.19070	0.6
444.19336	0.6
445.20090	8.0
446.20996	5.0
447.21924	7.7
458.21442	0.7
459.22888	2.5
460.18167	0.6
461.19678	1.4
473.18967	0.8
473.24420	0.9
474.20203	4.8
475.21204	6.5
487.21271	2.7
491.20746	0.7
501.22906	1.4
501.34488	0.6
529.22162	0.6
533.25464	11.8
561.24969	16.7
593.27661	3.5
621.27045	100.0
622.27295	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	621.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07005	1.2
63.80008	0.6
67.05422	1.2
67.87712	0.5
69.06939	0.5
69.27251	0.7
69.28166	5.4
69.28596	1.1
71.08553	0.6
77.42834	0.6
79.05387	0.9
81.03319	0.8
81.03821	0.5
81.07004	1.0
91.05418	0.9
94.82581	0.6
95.08494	1.0
98.98379	1.0
105.06926	0.6
195.08891	0.7
221.10497	1.0
293.21005	0.6
314.16266	0.8
338.16638	0.7
346.46445	0.6
373.14511	0.8
375.16058	1.5
378.17822	0.7
387.16055	1.5
388.16827	1.6
389.17590	4.4
390.18411	2.2
391.19254	1.2
401.17404	1.8
402.18466	2.4
403.19391	8.8
404.20020	3.6
405.20728	3.2
415.19034	1.8
416.16156	2.2
416.20627	1.4
417.15900	6.2
417.20895	4.7
418.17249	1.3
418.22012	0.9
419.17053	0.7
419.22330	12.3
426.18558	0.7
429.16324	1.0
429.21353	0.8
430.17343	3.1
431.18008	11.6
431.23401	1.0
432.19159	3.6
433.20139	2.0
443.18378	1.7
444.19568	1.1
445.20221	10.7
446.20871	7.3
447.21771	15.1
458.21036	1.3
459.17581	2.8
459.22089	2.9
460.22705	0.9
461.19403	1.6
473.19144	1.8
473.23987	0.9
474.20413	13.9
474.26749	1.2
475.21188	18.7
487.21286	4.7
488.21713	1.6
501.23087	3.0
502.23840	0.9
503.20914	0.8
505.25723	2.3
505.38321	0.8
517.22382	0.7
518.23511	1.1
523.40002	3.7
529.22504	1.3
533.25439	14.1
546.22577	1.1
561.24927	88.6
562.25244	1.9
589.24316	2.0
593.27533	3.9
621.27020	100.0
622.27136	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	619.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.5
57.03438	9.4
61.02918	1.8
66.04717	0.5
66.75655	0.4
69.03436	3.1
69.35010	3.1
70.06572	0.6
71.04998	10.2
73.02511	0.8
73.02918	13.9
75.04485	0.9
79.05476	1.6
81.03443	0.5
81.07047	1.7
83.04974	1.1
85.02906	15.7
86.09692	0.5
87.04452	0.8
91.05490	3.8
91.10159	0.4
94.04186	2.1
95.04952	0.8
97.02917	2.1
99.04462	0.5
103.05452	3.3
105.07032	3.3
107.04956	1.6
109.06528	2.6
111.04503	0.6
115.03957	2.1
115.05434	3.4
117.07032	1.4
118.04076	0.4
119.04999	0.7
119.08591	3.0
121.06524	0.7
122.03653	4.6
128.06235	2.0
129.05507	3.3
129.06978	2.0
131.04932	6.8
132.05704	3.1
133.04985	0.5
133.06499	2.7
137.05978	100.0
138.06352	1.0
141.07021	0.7
143.04930	1.2
144.88356	0.5
145.06512	1.1
146.03679	0.8
147.04385	1.5
147.06696	0.8
147.08051	3.9
149.05988	1.7
151.03990	1.1
151.07552	0.9
155.02815	0.5
155.04883	0.5
156.05711	0.7
157.06496	0.8
159.08105	1.7
160.05228	1.3
161.05984	14.5
162.06593	0.5
163.07547	12.8
165.05449	0.5
167.07030	0.9
168.05751	0.5
169.06456	0.9
171.08086	1.2
175.07545	54.1
176.07948	1.2
179.07082	2.2
179.08409	0.4
184.05183	1.8
187.07552	5.2
189.09151	1.2
190.07799	0.8
191.08542	3.9
199.07549	14.3
201.09081	2.0
202.07680	2.3
203.08559	7.0
204.09329	0.5
205.06517	0.9
205.08572	0.5
213.09010	0.5
215.06882	0.6
217.08582	1.0
218.07233	1.6
219.08063	7.7
220.08812	1.7
221.09489	0.6
229.08540	0.6
231.08032	8.5
232.08856	1.8
233.09596	0.6
235.07564	0.6
235.11296	1.1
236.08365	1.0
247.07542	3.2
248.08336	4.3
249.09023	1.2
251.10661	9.1
259.07520	5.6
260.08331	2.4
261.09177	1.1
263.10672	5.1
264.07837	0.6
265.08502	0.9
275.07285	1.0
275.10480	0.8
276.07907	2.5
277.08606	2.9
279.10168	5.5
280.10889	0.8
289.08652	0.8
291.10138	15.0
292.10889	5.0
293.08078	1.0
295.09979	0.6
295.13361	1.8
296.10474	0.7
303.10211	1.0
308.10443	1.9
309.11319	0.7
311.12762	22.7
315.10114	1.0
321.11243	0.7
323.12778	37.1
324.13156	1.6
325.14380	5.1
333.11288	0.6
335.12695	1.0
341.13553	2.0
347.13043	0.7
365.13843	0.5
407.14880	0.5
437.15851	0.5
439.17563	0.5
468.42725	0.5
469.18558	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	10.2
55.01871	5.1
55.05505	7.3
65.03914	4.8
67.05501	12.9
69.03432	21.2
69.88053	14.7
70.06583	9.1
71.01353	3.3
71.04995	4.0
72.08139	4.6
79.05496	16.0
81.03420	18.6
81.07047	10.5
83.04955	3.6
84.08138	3.5
85.02906	22.4
89.06024	2.7
91.05488	17.9
93.03404	3.0
93.07028	10.1
95.01327	11.4
95.04969	45.5
95.08598	4.6
97.02891	23.2
97.06512	3.8
99.04436	8.5
103.03941	4.6
103.05462	11.4
105.03373	3.5
105.07007	13.1
107.04943	19.1
107.08592	5.3
109.02888	30.8
109.06528	9.3
109.10168	4.3
111.04406	4.2
113.02374	11.7
115.05453	10.4
117.07033	12.9
118.06564	3.8
119.04945	9.2
119.08555	5.4
120.08085	5.6
121.02863	34.8
121.06507	12.4
123.04430	17.5
125.02399	5.0
125.09683	2.5
127.03912	29.6
127.99068	2.3
128.06143	3.8
129.06982	6.3
131.03375	8.2
131.04918	19.1
131.08537	3.4
133.02867	5.4
133.06506	10.3
135.04443	9.3
137.05942	7.9
139.03903	10.9
141.01863	4.5
143.04912	5.9
144.36752	2.7
145.04926	4.1
145.06503	14.5
146.61377	2.6
147.04417	11.2
149.02350	36.3
149.05923	17.9
151.03903	73.3
153.05455	10.4
155.04916	5.3
155.06041	3.8
159.04424	11.1
161.06001	9.2
163.03949	6.8
163.07536	7.9
165.01839	65.7
165.05475	100.0
165.06914	4.8
165.09117	10.8
166.02081	2.7
167.03415	26.1
167.07059	14.2
171.04384	11.2
173.05962	16.7
175.03877	10.5
175.07555	6.2
177.05469	15.8
177.12552	2.9
179.03386	12.8
183.02933	16.4
189.05473	19.5
191.07082	20.8
193.04988	6.0
195.06537	3.5
196.09663	5.6
197.04472	16.8
199.03908	15.3
200.11125	2.7
201.05470	18.6
207.06589	4.7
215.07173	3.4
217.04947	19.0
219.06532	23.6
227.03418	3.1
235.05981	26.8
245.04486	14.7
249.07632	4.3
259.06067	3.9
262.52420	2.9
263.05527	32.3
265.70731	2.9
271.06116	4.9
277.07141	9.8
281.06589	4.0
287.05621	3.9
295.08194	15.0
389.08597	11.2
407.09653	11.1
421.10889	4.6
425.10837	7.4
439.12027	3.1
460.97818	3.3
463.10187	3.7
559.86487	3.2
564.29181	3.8
594.92682	3.0
619.23315	5.9
619.32495	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.4366
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	9.7
55.05511	68.9
57.07064	13.7
67.05510	63.0
69.07053	32.6
70.72419	15.9
79.05482	56.5
81.03410	24.0
81.07059	68.9
83.04965	8.9
83.08600	32.1
87.04454	19.8
91.05480	72.0
93.07043	34.6
95.04997	56.2
95.08597	36.3
97.06538	10.6
97.10152	26.1
98.98498	12.7
104.41573	8.3
105.07026	40.8
107.04950	22.9
107.08594	41.3
109.06491	16.4
109.10177	10.6
117.07008	14.5
119.08570	39.0
121.06511	12.7
121.10087	20.4
123.08048	16.4
125.09650	9.6
129.07011	8.9
131.08542	21.8
133.10117	20.1
137.09676	9.5
145.10127	36.0
147.08136	11.0
147.11653	8.3
149.09605	29.9
159.11693	14.7
163.11179	29.1
173.09651	8.7
211.13301	16.7
223.13272	24.9
257.18906	23.6
275.20041	93.4
291.19498	100.0
293.21118	76.0
618.40826	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	618.4368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	8.1
55.01861	10.9
55.05510	49.2
57.03423	5.5
57.07066	10.7
61.62813	4.5
67.05500	61.0
69.03426	7.6
69.07072	28.4
71.04963	7.3
71.53475	5.7
71.53848	5.7
79.05481	45.1
81.03403	14.3
81.07048	42.7
83.04977	11.6
83.08613	54.4
87.04464	23.9
91.05482	53.1
93.07044	42.9
95.04967	47.4
95.08605	24.5
97.06494	12.3
97.10152	11.7
105.07024	52.5
107.04941	22.7
107.08595	43.1
109.06500	6.5
109.10145	39.0
111.08064	10.5
112.91438	5.1
117.06991	13.8
119.08574	26.9
121.06519	10.6
121.10144	18.4
123.11701	9.0
125.09601	8.6
129.07004	5.2
131.08542	19.9
133.10130	61.7
135.08032	6.1
135.11684	14.7
143.08525	7.5
145.10089	24.2
147.11667	16.0
149.09592	34.5
151.11180	28.1
155.00958	5.2
157.10161	11.1
159.11728	10.7
161.13191	8.6
163.11217	39.6
165.12761	8.6
201.12778	5.8
205.12057	6.6
211.13229	14.6
223.13255	25.9
239.17902	14.7
249.14885	6.6
257.18936	13.6
273.18381	15.3
275.20059	100.0
291.19489	16.5
293.21088	63.1
294.21857	5.6
435.48621	6.4
521.38501	6.4
624.70959	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	618.4362
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.5
55.01867	10.9
55.05269	4.4
55.05508	41.5
57.03428	3.8
67.05509	38.3
69.03436	6.6
69.07076	15.5
69.33736	27.2
70.66618	2.9
71.05005	3.7
79.05487	46.9
81.03419	10.1
81.07056	69.6
83.04969	10.1
83.08614	30.7
85.06532	3.6
86.61282	3.0
87.04477	14.4
91.05476	38.4
93.07042	33.8
95.04970	23.0
95.08599	21.3
97.06520	6.2
97.10175	21.2
105.07025	36.3
107.04964	20.2
107.08579	29.2
109.06524	11.6
109.10153	11.5
111.04449	5.6
111.08080	12.2
112.63165	2.7
117.06993	18.7
119.08575	37.4
121.06495	11.1
121.10176	17.0
123.08074	9.4
125.09640	16.3
128.06207	4.7
129.06992	7.2
131.08594	18.6
133.06516	5.4
133.10110	25.9
135.08063	8.1
135.11690	11.1
143.08563	8.7
145.10123	27.2
147.08034	13.7
147.11649	12.3
149.09644	18.2
151.11221	4.5
153.09111	7.1
153.12706	4.9
157.10120	8.6
159.08107	3.4
159.11688	12.3
161.09651	9.7
163.11176	31.5
165.09163	4.4
165.12776	6.3
169.10112	3.9
173.09663	5.4
173.13220	4.4
175.11194	3.9
177.12872	5.1
183.11725	4.6
185.13329	3.1
189.11206	15.5
191.10693	5.2
197.13251	2.9
201.45610	3.9
205.12302	3.4
213.16455	2.8
223.13293	10.3
227.12819	8.9
227.17865	5.2
239.17964	9.5
245.19107	3.9
249.14833	4.4
255.17531	3.4
257.18964	14.7
257.31174	2.9
273.18481	44.3
274.18698	3.7
275.20065	83.7
290.18634	4.1
291.19543	100.0
293.21133	22.9
309.20776	4.5
413.80676	3.1
583.39709	5.1
618.41864	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.0
57.03426	1.5
57.10211	1.0
65.03920	1.0
69.03426	1.1
70.06571	1.3
71.51073	1.4
75.04491	1.0
79.05490	4.6
81.03381	1.0
85.02938	2.0
91.05471	7.5
93.03403	2.3
93.07033	1.5
95.04971	3.3
97.02901	1.2
97.21633	0.8
103.05487	5.0
105.07035	15.7
106.04186	6.2
107.04945	7.9
108.05709	1.3
115.05464	1.1
118.04188	2.5
119.04961	3.2
120.05688	1.2
121.06496	7.3
123.08068	1.8
124.05205	1.8
125.05985	2.9
131.04922	1.2
133.06480	15.9
134.03621	1.2
135.04457	2.6
135.08046	4.0
137.05992	3.9
139.03912	1.1
147.04373	1.4
148.05206	1.0
149.05966	15.9
150.06763	8.2
151.07596	4.7
153.05443	1.6
153.09149	3.1
161.05998	4.9
162.93715	0.9
163.03926	1.9
163.07547	3.9
165.05502	2.5
165.09122	11.8
167.07018	14.6
177.05489	7.5
179.07025	2.6
181.08574	8.1
191.07141	1.3
193.08598	56.3
195.06552	1.6
195.10173	2.1
197.11784	1.4
198.27937	0.9
209.08093	56.8
211.09651	100.0
212.10027	2.0
270.13199	1.0
287.96609	1.0
288.91315	0.9
391.17715	2.4
509.71384	0.8
582.00061	1.0
618.24341	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.4038
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.8
54.39503	2.1
55.01873	14.6
55.05513	31.1
57.03431	5.5
57.07069	4.3
59.04996	2.3
65.03956	2.7
67.05507	47.5
68.56737	2.4
69.03421	6.4
69.07065	31.7
71.01340	5.8
71.04986	5.6
71.14217	4.5
79.05495	49.6
79.16135	2.2
80.89124	2.1
81.03418	6.7
81.07053	69.7
83.04984	18.7
83.08621	15.4
85.06537	4.3
91.05482	47.2
93.07041	45.2
95.04958	28.3
95.08604	32.0
97.02881	17.3
97.06545	7.9
97.10162	9.3
99.08058	2.3
103.05468	2.7
105.07027	45.5
107.04947	14.5
107.08585	28.6
109.02869	3.0
109.06508	26.2
109.10155	17.9
111.04414	2.9
111.08086	6.4
115.05513	3.0
116.06313	2.3
117.07014	19.1
119.04926	2.5
119.08582	34.5
121.06508	20.0
121.10118	19.7
123.04432	4.8
123.08052	13.7
123.11753	3.9
125.09640	8.3
128.06178	3.2
129.06981	9.6
131.08571	29.6
133.06505	10.4
133.10129	23.7
134.87009	2.2
135.08037	17.0
135.11655	11.9
137.05965	6.4
137.09602	29.1
142.07811	3.3
143.08554	9.9
145.06479	2.9
145.10117	21.8
147.07999	13.9
147.11659	14.7
149.09622	11.5
149.13266	3.6
151.07594	3.6
151.11180	4.1
153.09071	11.1
155.08485	3.4
157.10089	11.4
159.08066	7.0
159.11655	15.7
161.09596	10.3
161.13248	5.1
163.11192	12.2
165.09079	10.8
165.12733	2.6
169.10100	5.2
171.11665	6.1
173.09622	6.7
173.13290	6.7
175.11139	7.2
177.12801	6.3
179.10741	2.7
183.11789	4.1
185.13220	2.7
187.11140	5.6
189.11154	3.5
189.12700	3.0
193.12251	9.4
197.13249	3.5
201.12787	3.2
201.16418	2.8
203.14268	2.7
207.10039	3.6
207.13742	2.8
207.57474	2.2
211.14845	3.1
217.15900	2.2
219.13966	4.3
221.13463	3.1
221.15181	11.2
229.19518	3.2
233.15344	3.0
239.12798	9.4
239.18045	4.1
247.20599	4.5
257.18982	15.2
261.18518	3.8
273.18484	15.6
275.20068	100.0
279.09351	2.6
287.19858	3.0
289.18060	13.5
291.19540	28.5
293.21097	13.3
307.19049	11.7
356.12384	2.9
457.29398	8.5
519.36511	3.8
617.41431	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	617.4034
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.7
53.76308	0.9
55.01863	6.3
55.05513	17.5
57.03434	2.5
57.07049	1.2
65.03933	1.7
67.05494	18.8
69.03421	4.1
69.07070	7.2
69.86842	2.6
69.87254	4.3
71.04980	2.1
79.05493	29.5
81.03401	3.2
81.07055	71.2
83.04978	7.9
83.08611	10.3
85.02881	2.6
85.06546	2.0
86.30746	1.2
91.05477	17.9
93.07042	20.0
95.04959	14.2
95.08611	9.3
97.06521	4.0
97.10167	10.7
98.21459	1.1
103.05472	1.3
105.03378	1.6
105.07034	19.2
107.04955	6.9
107.08591	15.3
107.21930	1.2
109.06514	28.5
109.10120	6.1
111.04438	6.9
111.08098	2.6
115.05449	1.7
117.07020	11.4
119.04922	1.3
119.07723	1.5
119.08578	28.3
119.09382	2.1
121.06525	9.2
121.10130	9.5
123.08069	9.1
125.05959	2.1
125.09619	9.1
128.06213	1.8
129.06970	5.1
130.07793	1.2
131.08583	9.9
133.06456	2.6
133.10120	7.5
135.08052	7.6
135.11691	5.6
137.05901	1.3
137.09624	2.5
142.07784	1.8
143.08551	5.8
145.10104	13.6
147.08032	12.4
147.11696	4.1
149.09633	9.0
151.07535	2.2
153.09129	1.3
153.12775	1.2
155.08559	1.6
156.09383	1.9
157.10109	7.2
159.08070	3.7
159.11673	6.4
161.09625	11.0
161.13252	2.5
163.11197	8.5
165.09128	5.0
167.10680	1.4
169.10149	1.3
171.08064	1.1
171.11722	4.4
173.09753	2.5
173.13260	2.7
175.11177	2.3
175.14720	1.9
179.08546	1.2
179.14534	1.1
181.10272	1.5
181.12242	5.2
183.11684	2.7
184.07423	1.6
185.09566	1.4
185.13264	3.4
187.11188	1.4
189.11238	7.6
189.12709	2.0
191.10703	3.9
195.11679	1.6
197.13272	1.2
199.11205	2.7
199.14882	1.3
203.14232	2.0
205.12430	1.2
207.13751	1.6
209.11577	1.9
209.13370	2.3
213.12720	1.9
221.15271	5.2
223.13319	3.5
227.12839	2.7
231.13756	1.8
233.15457	1.5
245.19011	2.4
249.14877	4.9
255.17477	4.1
273.18472	35.0
273.21298	2.3
280.40442	1.2
291.19534	100.0
292.19812	2.0
309.20560	3.3
531.74536	1.1
563.37213	1.4
581.38629	1.8
599.40247	1.8
617.43329	5.5
639.87823	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.4025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.5
55.01870	10.0
55.05510	23.0
57.03425	4.1
57.07067	2.9
59.04995	1.8
65.03950	2.3
67.05501	26.6
69.03431	5.5
69.07066	9.7
69.24708	8.7
69.25119	1.5
71.04978	3.1
79.05489	33.8
79.55158	0.9
81.03410	6.9
81.07053	84.4
83.04977	12.8
83.08163	1.3
83.08614	14.1
85.02895	4.2
85.06539	2.7
91.05469	22.1
93.07042	27.0
95.04962	20.5
95.08596	14.9
96.08965	1.2
97.02867	1.0
97.06535	5.4
97.10162	19.1
99.04486	2.4
103.05508	1.7
105.04521	1.4
105.07029	22.1
107.04358	1.1
107.04965	8.7
107.08591	17.8
109.06504	12.2
109.10142	10.4
111.04445	11.8
111.08061	4.8
115.05468	1.4
117.07019	11.3
119.04876	1.8
119.08575	28.5
121.06513	9.5
121.10142	13.7
123.08063	19.9
123.11699	1.9
125.06008	2.4
125.09617	13.9
128.06200	3.0
129.07011	7.7
130.07765	1.9
131.07587	1.6
131.08546	14.7
133.06485	4.5
133.10098	12.5
135.08067	8.2
135.11687	9.0
137.09615	5.2
139.11185	1.7
141.06978	2.4
142.07729	2.4
143.08557	8.6
145.06503	1.2
145.10121	18.2
147.06932	1.4
147.08034	13.2
147.11687	5.3
149.09622	6.7
149.13313	1.3
151.07533	7.3
153.09117	4.6
153.12715	4.8
155.08519	2.8
156.09329	1.3
157.10109	7.6
159.08078	3.4
159.11662	6.7
161.09627	6.2
161.13255	1.6
163.11165	16.2
165.09114	11.2
165.12729	1.5
166.07878	1.1
167.08560	1.2
167.10693	1.8
169.10104	2.8
171.10367	1.3
171.11667	6.1
173.09650	2.8
173.13257	3.1
175.11195	4.2
175.14842	1.3
177.12778	2.3
181.12239	9.4
183.11702	3.7
185.09589	1.5
185.13260	3.9
187.11131	2.1
189.11212	15.0
189.12761	2.5
191.10663	7.5
193.10248	1.1
193.12283	3.1
195.11638	2.8
195.13489	0.9
197.13257	1.9
199.11258	2.3
199.14731	1.5
203.14323	2.9
205.12318	1.3
205.16071	1.0
207.11789	1.5
207.13794	2.5
209.11601	1.9
209.13306	1.7
213.10736	1.1
213.12743	2.7
214.71837	0.9
215.14421	1.2
219.13771	1.5
221.13350	1.7
221.15315	12.2
223.11169	1.5
223.13155	9.0
227.12769	10.0
227.17789	2.6
231.13750	1.3
237.16592	1.1
245.18913	2.1
247.16939	1.5
249.14882	4.1
255.17380	5.4
263.19910	1.0
268.14993	1.1
273.15494	1.8
273.18469	36.2
286.19122	2.6
287.19858	1.2
289.18143	1.4
291.19528	100.0
309.20532	8.0
313.21616	1.9
443.27942	1.0
563.36932	1.0
581.38074	3.7
599.39862	5.6
609.31433	1.0
617.42285	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	617.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26963	3.9
51.02373	4.9
53.00310	4.7
53.03947	23.5
55.01862	10.8
55.05511	36.4
57.03419	4.6
57.07064	4.9
57.78598	3.5
65.03939	6.2
67.05501	88.1
69.03431	29.5
69.07062	19.1
71.04977	8.6
71.51377	5.1
77.03934	5.0
79.05489	85.2
81.03423	44.7
81.07056	90.5
83.04966	13.1
83.08604	16.2
85.02887	11.9
91.05481	74.4
93.07037	77.7
94.07327	5.3
95.04960	88.1
95.08603	57.4
97.02893	35.2
97.06526	10.0
97.10152	6.1
99.04446	5.2
103.05460	19.6
105.04503	6.1
105.07025	70.1
107.04957	100.0
107.08588	41.7
109.02884	46.1
109.06516	33.3
109.10142	27.6
111.04433	12.6
111.08080	5.8
115.05455	9.9
117.07040	37.9
117.28139	3.5
119.04919	5.6
119.08586	52.3
121.06489	26.6
121.10130	32.8
123.04405	16.9
123.08066	15.6
123.11697	8.9
125.02342	33.4
125.05974	8.9
125.09612	5.6
127.03919	39.1
128.06206	9.0
129.07013	24.8
130.07686	3.6
131.04916	10.6
131.08562	41.5
133.06499	18.6
133.10127	35.5
135.04411	40.9
135.08052	13.4
135.11693	16.9
137.09613	5.3
141.06976	14.4
142.07762	9.0
143.08542	33.6
145.06497	8.1
145.10121	32.4
147.04431	8.8
147.08023	10.0
147.11661	18.4
149.05959	37.2
149.09622	11.2
149.13283	7.4
151.03900	94.2
151.07536	14.2
153.05438	20.3
153.06929	5.1
154.07764	7.4
155.08556	23.9
156.09297	5.0
157.06470	5.6
157.10098	22.4
159.04408	7.5
159.08038	12.2
159.11662	18.0
161.05957	10.3
161.09557	10.2
161.13235	8.3
163.07611	4.7
163.11140	9.7
165.06985	6.0
165.09122	6.3
167.08534	19.5
168.09380	4.6
169.06480	5.4
169.10097	20.6
171.07986	8.0
171.11705	14.9
173.05920	3.7
173.09634	7.4
173.13219	17.3
175.11050	5.0
175.14833	5.2
177.05473	45.2
177.09146	3.8
177.11140	3.5
177.12727	4.9
178.07671	4.8
179.07030	8.9
179.08546	9.3
180.09503	3.9
181.10110	14.5
181.12299	4.5
183.08026	8.9
183.11679	14.6
184.00061	3.8
185.05951	4.9
185.09511	7.2
185.13208	10.0
187.11124	5.1
187.14853	10.3
189.12740	6.7
191.10747	5.2
192.09283	3.8
193.10052	8.0
194.10866	4.2
195.06503	22.2
195.07965	8.2
195.11658	11.7
197.08011	11.2
197.09708	8.9
197.13242	10.8
199.11189	6.8
199.14862	4.2
201.09166	4.5
203.14322	3.6
205.10252	6.1
206.10948	5.2
207.07970	3.8
207.11671	10.4
207.13663	4.8
209.09483	5.2
209.13286	11.0
211.11145	5.4
211.14752	7.3
213.12701	5.7
219.11844	5.1
221.15381	15.4
223.11198	7.3
223.14902	7.6
225.09030	3.6
225.12453	3.9
225.16222	5.7
227.10713	5.7
229.15842	4.9
233.84845	4.1
235.14810	5.4
237.12834	4.5
237.16518	6.4
239.14214	4.8
243.21101	4.4
257.18900	3.8
259.20657	6.6
273.18442	5.4
275.20041	12.7
277.21622	6.1
289.17966	5.4
291.19461	6.1
293.20850	7.0
305.03101	3.6
339.23148	6.4
349.21640	5.1
367.22528	8.6
373.24966	4.8
383.22177	4.2
385.23547	9.1
391.26166	15.3
401.24991	6.8
409.27686	7.5
419.25732	18.8
421.26251	5.0
437.26541	22.0
455.27429	9.3
489.12128	3.9
519.36664	4.4
529.27911	4.2
535.30524	6.2
545.28711	9.2
563.29669	10.0
581.30908	18.7
581.38690	5.4
599.31775	11.4
599.40137	10.6
617.32385	8.0
617.41968	19.1
625.00171	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	616.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	0.6
53.03954	1.4
55.01857	1.9
57.84312	0.7
65.03925	2.7
69.73014	1.4
69.73429	2.8
70.06590	1.0
75.04491	3.7
76.07648	1.0
78.04691	1.8
79.05477	2.5
81.22009	0.8
83.59809	0.7
85.02911	6.1
89.03923	1.2
89.06033	0.7
89.76620	0.7
91.05482	9.4
93.03403	13.0
93.07049	5.8
95.04955	4.3
97.02831	0.6
97.06522	2.6
103.05474	8.6
105.04540	1.1
105.07037	11.2
106.04174	25.9
107.04942	2.2
109.02892	0.9
109.06508	0.9
112.13992	0.6
115.05431	2.3
118.04170	2.0
119.04924	1.5
121.06509	30.4
123.04440	1.2
125.05992	9.7
131.04953	3.7
131.05913	0.7
133.06493	12.2
134.03619	4.0
135.04387	1.2
135.07974	0.8
137.05980	3.7
139.07559	3.0
145.02815	1.6
148.05197	3.4
149.05983	48.0
151.07527	2.1
152.08391	0.8
153.05507	2.5
153.09103	13.7
160.64951	0.7
161.05989	22.6
163.03957	0.9
163.07547	5.4
165.05464	1.4
166.06189	0.9
167.07008	2.4
177.05475	24.8
179.07047	0.7
181.08606	24.0
189.09097	0.6
191.05731	0.5
191.07024	21.0
193.08614	23.6
209.08095	100.0
210.08403	0.9
258.68304	0.7
344.47302	0.7
369.13394	1.2
387.14471	1.4
388.90460	0.6
434.23419	0.6
548.83380	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.4404
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	6.7
55.05505	19.3
57.03429	4.3
57.07069	15.2
59.04991	20.4
62.10064	4.3
67.05505	32.4
69.03433	6.8
69.07067	18.5
71.04991	6.8
71.51202	6.5
71.51569	5.2
73.06558	5.7
74.61585	4.3
79.05492	35.8
81.07056	42.3
82.62744	4.3
83.04975	9.6
83.08633	9.3
85.06545	33.2
91.05476	52.4
93.07036	78.6
95.04962	15.9
95.08601	54.4
97.06486	7.9
99.08044	5.2
105.07021	86.7
107.08585	67.4
109.06509	13.3
109.10162	32.0
111.08076	11.4
115.05473	4.9
117.07023	16.7
119.08575	100.0
121.06493	12.3
121.10141	51.2
123.08061	56.6
123.11739	5.8
125.05984	6.8
125.09619	20.7
128.06219	4.8
129.07008	8.1
130.07816	5.7
131.08543	41.8
133.06506	5.7
133.10126	69.4
135.08034	28.8
135.11690	30.5
137.09630	19.9
142.07776	12.3
143.08542	30.3
144.09358	5.6
145.10106	54.1
147.08078	20.2
147.11682	26.5
149.09627	17.8
149.13287	5.9
151.07536	64.3
151.11153	13.5
153.06999	4.8
155.08604	10.3
156.09366	12.8
157.10094	30.6
159.08099	6.0
159.11659	32.4
161.09592	12.9
161.13283	10.5
163.11131	20.5
165.09114	49.8
167.08646	5.0
169.10089	18.2
170.10925	9.6
171.11696	17.9
172.08768	4.0
173.09586	8.3
173.13268	26.0
175.11169	7.5
175.14845	23.0
179.08647	5.7
179.10555	4.8
181.10135	15.9
181.12222	8.8
182.10852	5.1
183.11708	14.2
185.13228	13.0
187.11186	9.1
187.14899	8.0
189.12709	15.2
191.14362	9.6
192.09315	4.8
193.10103	7.5
195.11667	15.1
197.13237	11.1
199.14821	8.9
203.14368	27.1
207.11893	8.9
207.13837	19.4
208.12514	6.3
209.13269	13.9
211.13156	5.8
211.14883	8.9
213.12814	5.2
221.13318	9.4
221.15335	82.5
223.14864	9.1
223.16963	11.2
225.12764	4.6
235.14894	10.8
247.14789	4.4
265.19440	4.9
299.20291	9.0
375.26630	6.8
491.35175	10.7
517.80829	4.6
546.55060	4.4
565.39642	7.7
583.40991	24.4
597.42621	12.6
615.44098	88.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.3879
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.5
55.01875	13.9
55.05510	24.8
57.03430	3.9
57.07065	4.8
59.04992	12.1
63.61457	1.7
65.03963	3.1
67.05182	2.7
67.05511	31.0
69.03419	4.0
69.07079	10.7
71.04990	3.6
71.13496	2.0
71.51250	3.5
79.05492	44.1
81.03394	5.5
81.07053	93.2
81.78974	2.0
82.66279	2.3
83.04976	10.5
83.08607	12.0
85.02895	5.7
85.06535	3.9
88.35981	1.7
89.30951	2.0
91.05479	34.5
92.05196	2.1
93.07035	33.0
93.07574	3.2
95.04959	23.1
95.08601	19.0
95.26820	1.7
97.06525	5.5
97.10196	10.2
101.59623	2.1
105.04561	1.9
105.07030	34.6
107.04941	11.6
107.08584	22.7
109.02856	2.4
109.06511	33.5
109.10143	10.8
111.04438	8.3
111.08047	4.8
115.05410	2.3
117.07022	19.6
119.08582	48.3
121.06487	15.5
121.10136	19.9
123.08067	8.6
125.09647	10.1
128.06181	4.9
129.07001	11.7
131.08557	22.7
133.06506	5.2
133.10153	16.5
135.08044	15.4
135.11678	7.8
137.09613	4.6
140.97141	2.1
141.06999	2.2
142.07742	5.0
143.08542	8.0
145.10117	23.8
147.08029	19.8
147.11676	8.4
149.09619	6.5
151.07555	4.9
151.11111	2.9
155.08534	5.0
156.09283	3.2
157.10095	16.8
159.08061	8.5
159.11670	12.5
161.09624	18.7
161.13269	2.5
163.11166	9.0
165.09090	10.0
167.08430	3.2
167.10634	5.4
169.10147	7.1
171.11722	6.3
173.09630	4.2
173.13239	4.4
175.11168	4.1
175.14888	3.3
177.09041	2.6
181.10037	2.6
181.12228	3.3
182.10985	2.5
183.11702	8.3
185.09575	2.9
185.13246	6.4
187.14880	2.4
189.11226	4.2
189.12810	2.4
191.14395	2.2
193.12242	5.7
195.11836	3.0
197.13196	5.8
199.11229	2.5
199.14816	2.7
201.12866	3.4
203.14374	4.0
206.10944	2.4
207.11661	2.7
209.13261	2.9
213.12706	3.5
213.16362	2.2
217.15707	2.4
221.15399	6.4
227.17973	5.0
231.13898	2.9
233.15216	2.2
243.17418	2.6
245.18938	3.8
249.14781	5.1
255.17398	5.4
271.17017	4.1
273.18497	52.7
289.17917	14.3
291.19525	100.0
292.19888	3.5
307.19009	5.0
348.29477	2.1
495.84216	2.3
496.59494	2.3
579.36615	2.7
597.38690	7.3
615.40100	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	615.4046
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57865	2.0
53.03941	3.5
55.01871	4.4
55.05509	10.6
57.07069	9.2
59.04982	2.7
67.05504	22.4
69.03427	12.1
69.07059	10.6
70.26764	7.0
71.04987	2.8
79.05496	15.8
81.03448	2.3
81.07056	26.7
83.04984	6.4
83.08622	6.7
85.06557	3.5
90.84232	1.8
91.05482	20.3
93.07049	31.5
95.04972	17.9
95.08620	20.5
96.64970	2.0
97.06542	6.5
103.05473	3.3
105.07030	33.6
107.04972	4.2
107.08588	23.9
109.02905	2.5
109.06493	14.1
109.10141	12.6
111.04445	3.1
111.08073	2.5
113.09641	2.4
115.05457	3.0
117.07045	8.8
119.08588	31.2
121.06514	8.3
121.10143	24.9
123.08067	22.7
123.11713	4.7
125.06004	5.4
125.09663	3.7
128.06215	5.5
129.07010	7.2
131.08553	23.6
133.06511	6.3
133.10143	18.5
135.08057	15.9
135.11665	9.6
137.05913	2.5
137.09637	7.3
141.06963	3.4
142.07780	8.4
143.08589	17.4
144.09386	2.6
144.25992	1.9
145.06500	4.4
145.10114	23.8
147.08044	16.2
147.11713	7.4
149.09604	11.2
151.03940	5.0
151.07544	29.1
154.07771	2.5
155.08517	10.4
156.09351	7.1
157.10150	19.2
158.07301	2.9
159.08072	9.3
159.11702	15.0
161.09592	10.5
161.13235	4.1
163.11127	10.0
165.06999	4.1
165.09108	24.7
167.08574	4.4
167.10680	16.6
168.09396	2.9
169.10078	12.7
171.08047	2.7
171.11697	12.0
173.09648	8.3
173.13315	7.7
175.11235	5.5
175.14867	3.8
179.08589	6.2
179.10678	3.6
180.09320	2.0
181.10196	6.4
181.12169	12.2
182.10890	2.3
183.11713	10.3
185.09654	19.4
185.13249	4.9
187.11263	5.4
187.14842	3.8
189.09273	2.3
189.12816	9.9
191.14284	4.1
192.09430	2.7
193.10204	8.1
193.12379	2.9
194.10962	4.2
195.11755	9.4
197.09647	3.5
197.13341	5.0
199.11264	6.2
199.14842	3.9
201.12703	4.8
201.16380	2.2
203.14262	9.4
205.10298	2.6
207.11769	10.3
207.13861	13.7
208.12531	2.2
209.13332	6.8
209.15298	2.9
210.10457	2.1
211.11256	4.8
211.14844	6.1
213.12820	7.0
213.16476	2.1
215.14284	3.9
217.15952	3.1
219.11824	2.6
221.13371	3.4
221.15346	35.6
221.17355	3.2
223.11264	4.2
223.14912	3.7
225.12773	3.9
227.14340	3.3
232.12376	2.2
233.13432	3.5
233.15474	9.0
235.14870	4.6
237.12772	2.5
243.13837	2.3
245.13264	2.6
247.14775	2.9
247.17020	4.0
249.12820	2.8
251.14362	4.2
255.17465	4.8
259.14877	3.4
260.15430	2.3
263.14352	2.9
273.18597	3.1
281.19055	2.8
312.20728	3.1
315.19690	6.2
317.18719	2.2
335.19147	2.1
349.21548	2.2
349.52792	2.4
379.22717	2.0
381.24292	5.4
389.25009	4.0
393.23914	3.1
407.25824	19.6
425.30588	5.7
445.27618	2.9
467.31409	3.2
475.28018	2.1
507.34912	2.6
541.33459	3.9
559.34540	2.2
579.38275	4.6
597.39490	23.9
615.40521	100.0
616.41229	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	615.244
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86971	0.4
52.65167	0.3
53.03945	0.7
55.01629	0.5
55.01873	6.4
55.71912	0.3
65.03628	0.5
65.03938	1.9
65.22985	0.3
67.05495	1.2
69.03413	0.5
69.96516	2.0
77.03904	0.4
79.05502	2.7
81.03404	0.8
81.07046	0.7
82.04179	0.8
85.02900	0.9
90.04735	0.5
91.05472	4.9
93.03384	0.5
93.07030	0.9
95.04952	1.6
95.08620	0.8
97.06518	0.6
102.04632	0.4
103.05470	14.5
105.03384	1.0
105.07026	3.8
107.04947	4.6
109.10149	0.4
110.03648	0.9
111.04438	0.9
115.05473	2.1
116.06252	0.5
117.07024	1.8
118.04158	3.3
119.04964	4.1
119.08552	0.5
120.05724	0.7
121.06535	1.8
121.10085	0.5
122.03646	0.4
123.04428	1.4
124.05223	0.4
125.06014	0.9
128.06207	1.2
129.07018	2.2
130.04160	0.9
131.04936	16.9
131.08531	0.9
132.05763	0.8
133.02893	2.0
133.06500	4.7
135.04414	0.7
135.08089	1.1
137.05977	5.0
141.07004	0.7
142.02551	0.5
143.04933	0.4
144.05714	1.1
145.06503	2.9
146.03641	1.0
146.07254	0.9
147.04420	5.8
147.07980	0.9
147.11674	0.5
148.05199	9.8
149.06059	2.6
149.09682	0.5
151.03934	5.0
151.05043	0.4
151.07521	0.9
152.04398	0.4
153.05481	1.8
155.04880	0.5
155.05986	0.6
156.05759	0.5
157.06512	0.9
158.07285	1.1
159.04398	0.7
159.08080	1.7
160.05139	0.6
161.05969	5.1
163.03888	0.9
163.07553	16.5
164.07840	0.6
165.05501	0.8
167.07051	16.1
169.06482	0.7
171.06615	0.9
173.06013	3.1
174.06754	1.7
175.07550	1.5
176.04680	1.8
177.05489	6.8
177.09016	0.6
178.06216	0.5
179.07077	1.9
181.04945	12.1
181.08554	0.7
182.05377	0.7
184.05234	0.4
185.06152	0.4
186.06720	0.5
187.07596	2.2
189.05479	1.2
189.09111	3.2
190.06131	0.5
191.07037	100.0
192.07445	3.9
193.08548	1.6
195.06631	0.8
199.07523	0.7
201.09132	0.7
203.07021	0.8
205.06917	0.4
205.08580	3.0
207.06493	0.8
208.07227	0.5
209.08096	8.9
215.06989	0.6
217.08601	3.7
219.08218	0.5
219.10062	2.3
221.05960	1.0
221.08089	13.6
221.10175	0.8
222.08559	0.5
225.07376	0.9
233.07933	0.5
235.09644	2.8
244.33536	0.4
247.07487	0.5
247.09634	2.3
249.08940	0.6
249.11122	2.5
253.08714	0.5
255.06638	0.4
257.04514	4.1
265.08377	0.5
265.10794	1.3
269.08255	0.4
276.08102	0.6
277.08627	0.9
279.10046	0.5
286.04654	0.9
287.05521	1.7
295.09628	0.5
307.09674	0.7
308.10406	0.5
313.10492	0.4
315.08487	0.9
319.09518	0.5
327.12259	0.8
329.09888	0.4
330.11008	0.6
339.12390	0.5
351.12411	0.9
355.11938	0.5
359.11230	0.5
359.15005	5.0
369.13232	0.6
371.14963	1.4
383.14731	2.7
387.14499	2.0
388.15115	1.0
389.15988	1.1
399.14352	0.7
401.15875	2.5
411.14420	3.3
413.16089	0.4
418.16254	5.5
419.16876	1.6
443.17065	5.0
443.59885	0.5
453.11801	5.8
597.22455	0.5
597.47504	0.5
615.23969	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	615.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	5.1
65.03941	1.4
67.05489	0.5
69.03424	0.3
70.81101	0.7
77.03928	0.5
79.05500	1.6
81.03415	0.3
81.07037	0.3
82.04180	0.4
83.04933	0.3
85.02890	0.6
89.03902	0.4
90.04689	0.3
91.05484	4.8
93.03409	0.5
95.04955	1.0
95.08608	0.3
97.06487	0.4
102.04676	0.5
103.05470	16.9
103.98592	0.3
105.03391	1.0
105.07027	3.4
106.04186	0.3
107.04958	2.7
108.02097	0.3
110.03654	0.5
111.04441	0.6
115.05485	1.9
115.06145	0.4
117.07019	1.3
117.40649	0.3
118.04170	3.6
119.04939	5.1
120.05710	0.5
121.06495	1.1
122.03665	0.5
123.04417	1.2
124.05196	0.3
125.05965	0.7
129.06966	0.3
130.04143	0.8
131.04927	18.0
131.08578	0.5
132.05682	1.1
133.02863	2.7
133.06497	4.7
135.08029	1.2
137.05966	4.0
138.03069	0.3
141.07076	0.3
142.02621	0.4
143.04915	0.3
144.05705	0.8
145.06465	1.3
146.03604	1.1
147.04414	5.3
148.05194	11.2
149.05988	2.0
151.03896	0.9
151.07539	0.9
153.05452	0.7
159.04413	0.5
159.08023	0.4
161.05949	4.1
162.06790	0.3
163.07549	19.9
165.05463	0.3
167.07048	7.9
171.06595	0.6
173.05975	2.1
174.06804	0.5
175.07579	0.4
176.04631	2.0
176.08308	0.4
176.56325	0.3
177.05457	4.1
179.07094	1.3
181.04964	9.8
187.07504	0.6
189.05464	1.1
189.09131	0.4
191.07028	100.0
192.07462	2.0
193.08566	0.9
193.63408	0.3
195.06448	0.3
195.78587	0.3
201.05621	0.3
204.72823	0.3
205.08612	1.0
209.08075	6.5
217.08560	0.5
219.08159	0.3
219.10156	0.8
221.08096	13.1
225.07661	0.6
235.09657	0.6
247.09697	0.5
249.08801	0.3
249.11290	0.4
257.04529	0.3
265.10779	0.7
277.08752	0.3
286.04666	0.7
325.10675	0.3
327.12143	0.4
339.12137	0.4
359.14874	1.0
383.14697	0.4
385.12860	0.3
388.15240	0.8
389.15717	0.4
399.14346	0.7
401.16153	0.3
418.16144	4.1
419.16931	1.0
443.17178	0.4
453.11697	0.8
567.22180	0.4
615.24005	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	615.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.3
53.03935	0.6
55.01870	7.7
59.82396	0.2
65.03938	2.7
67.05477	0.9
67.05829	0.3
68.58327	0.2
69.03417	0.3
69.07049	0.3
69.58109	0.4
69.58511	1.3
77.03928	0.3
78.04700	0.3
79.05490	2.0
81.03403	0.5
81.07030	0.5
82.04189	0.8
85.02896	1.0
86.42123	0.2
89.03906	0.5
90.04694	0.2
91.05472	5.8
93.03396	0.8
93.07017	0.3
94.04195	0.4
95.04966	2.0
97.06525	0.7
102.04662	0.6
103.05462	19.6
105.03376	1.0
105.04432	0.2
105.07030	4.6
106.04144	0.3
107.04953	3.8
108.02078	0.3
108.05782	0.2
109.02895	0.4
109.06487	0.4
110.03674	1.6
111.04428	1.5
115.05453	2.2
116.06213	0.3
117.03384	0.4
117.07029	1.5
118.04153	4.0
119.04942	5.0
120.05717	0.4
121.02848	0.6
121.06511	1.5
122.03635	0.6
123.04447	1.6
124.05232	0.5
125.05978	1.9
128.06172	0.5
129.06970	0.9
130.04140	1.6
131.04921	20.2
131.08560	0.8
132.05679	1.1
133.02826	2.8
133.06487	4.6
135.04419	0.5
135.08061	1.6
137.05968	7.1
138.03110	0.5
139.03896	0.3
142.02614	0.7
143.04950	0.3
144.05721	1.2
145.06445	2.0
146.03593	1.0
146.07104	0.3
147.04404	5.6
148.05182	11.2
149.06000	3.2
151.03888	0.8
151.07526	1.0
152.04637	0.3
153.05463	2.9
155.07040	0.7
157.06454	0.8
158.07263	0.3
158.08708	0.2
159.04407	0.6
159.08054	0.8
160.05167	0.7
161.05972	4.8
162.06750	0.6
163.03897	0.8
163.07536	19.9
163.81395	0.2
164.04630	0.3
165.05472	0.9
166.06076	0.2
167.07030	10.4
169.07765	0.3
171.06523	1.1
172.05031	0.3
173.05943	2.0
174.06766	0.6
175.07542	1.3
176.04703	2.3
176.08205	0.4
177.05460	6.9
177.09056	0.5
179.07033	1.8
181.04944	16.0
182.05405	0.5
186.96692	0.2
187.07541	1.4
189.05428	0.8
189.09091	0.7
190.06261	0.4
191.07018	100.0
192.07625	1.8
193.04884	0.4
193.08575	1.3
195.06398	0.4
199.07565	0.2
203.07045	0.3
205.08546	1.4
207.06432	0.6
207.08168	0.4
207.65495	0.3
208.07257	0.6
209.08081	9.4
217.08588	0.9
218.09349	0.2
219.08218	0.5
219.09970	1.1
221.08057	13.4
224.08353	0.3
225.07382	1.4
234.06650	0.3
235.09592	0.7
239.06955	0.3
240.07744	0.4
247.07466	0.3
247.09647	0.6
249.05429	0.3
249.08980	0.6
249.11281	0.7
251.06819	0.3
253.08691	1.2
253.12346	0.4
255.10274	0.4
257.04489	0.4
257.08078	0.3
265.08417	0.3
267.10226	0.4
268.07227	0.3
269.08017	0.4
271.12869	0.3
277.08517	0.4
278.09229	0.3
281.08041	0.4
281.11734	0.5
283.09622	0.8
284.10208	0.4
287.05518	0.4
291.09943	0.4
294.09012	0.3
295.09631	0.5
299.09100	0.3
299.12698	0.7
309.11179	0.8
313.10782	0.6
313.14291	0.3
321.11166	0.4
327.12241	2.4
339.12155	0.5
341.13840	0.4
357.13358	0.3
359.14868	9.2
369.13028	0.3
371.14719	1.2
383.14893	0.3
385.12622	0.3
388.14993	0.9
389.15845	6.6
399.14365	0.7
401.15698	0.4
418.16229	5.0
419.16766	0.8
443.17020	0.5
453.11716	0.9
537.20544	0.3
567.21930	0.4
615.24261	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	615.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01608	0.2
51.02382	0.2
53.03936	0.4
55.01869	5.7
61.69786	0.2
65.03933	1.4
66.04731	0.3
67.05495	0.6
67.18994	0.2
70.48303	0.5
70.48708	0.4
77.03925	0.4
78.04688	0.2
79.05480	1.6
81.03418	0.4
82.04192	0.5
85.02884	0.7
91.05475	4.8
93.07027	0.5
95.04951	1.3
97.06545	0.2
102.04670	0.6
103.05463	15.5
105.03361	1.1
105.07019	3.9
106.04189	0.2
107.04964	2.7
110.03654	0.7
111.04416	0.3
111.44405	0.2
115.05444	1.8
116.06238	0.3
117.03378	0.3
117.07033	1.1
118.04164	4.3
119.04935	5.7
120.05698	0.4
121.02907	0.2
121.06512	1.1
122.03664	0.6
123.04417	1.1
125.05952	0.5
129.06969	0.3
130.04152	1.5
131.04922	16.8
131.08543	0.5
132.05675	0.9
133.02861	2.3
133.06477	4.5
134.03581	0.3
135.04391	0.3
135.08037	0.9
137.05966	5.0
138.03192	0.2
142.02612	0.2
144.05695	0.4
145.06471	1.8
146.03607	1.0
146.07133	0.3
147.04396	5.4
147.08037	0.3
148.05176	10.6
149.05983	2.3
151.03928	0.5
151.07552	0.9
152.04631	0.3
153.05447	0.5
157.06480	0.2
159.04393	0.5
159.08047	0.6
160.05225	0.3
161.05977	4.6
163.07535	19.5
164.04631	0.3
165.05478	0.6
166.06116	0.2
167.07022	8.4
168.07355	0.7
171.04301	0.2
171.06511	0.7
173.05978	2.1
174.06583	0.4
175.07544	0.7
176.04724	1.9
176.08232	0.3
177.05457	4.9
177.09096	0.4
179.07016	1.7
181.04950	9.6
181.06567	0.5
182.05359	0.3
187.07510	1.1
189.05450	0.8
189.09070	0.4
191.07016	100.0
192.07538	1.4
193.08606	1.1
195.06528	0.4
203.06990	0.3
205.08556	1.1
207.10185	0.3
209.08087	6.9
217.08673	0.3
219.08250	0.3
219.10170	0.9
221.08076	13.1
225.07529	0.8
235.07536	0.3
235.09680	0.6
236.74045	0.2
247.09676	0.5
251.09174	0.2
265.10699	0.8
287.05408	0.5
293.08191	0.4
325.21939	0.2
337.10925	0.3
339.12250	0.5
355.11713	0.3
359.14606	0.7
371.14978	0.5
385.12524	0.4
387.13770	0.4
388.15170	1.1
389.15952	0.2
399.14346	0.5
401.15521	0.4
418.16214	4.1
419.16766	1.0
423.18030	0.3
453.11676	0.5
517.18475	0.2
537.21289	0.3
567.21796	0.5
615.23993	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	615.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.1
56.38155	0.1
62.68790	0.1
67.01860	0.4
67.05512	0.6
68.99812	0.3
69.03401	0.1
69.07051	0.2
79.05470	0.3
80.05051	0.1
81.03426	0.5
81.07052	0.4
85.02899	0.3
86.09695	0.2
91.05466	0.5
93.07047	0.3
95.04964	0.4
95.08606	0.3
97.02891	0.3
98.20813	0.3
99.04438	0.2
103.05449	0.3
105.07045	0.1
107.04952	0.3
107.08572	0.2
109.02875	0.4
109.06546	0.2
109.10153	0.8
117.07024	0.2
119.04940	1.3
119.08533	0.1
121.02910	0.6
121.06506	0.2
121.10162	0.1
123.04445	0.1
127.03919	0.3
129.01817	0.1
129.07047	0.1
131.04942	0.2
133.02780	0.1
135.04337	0.1
137.05974	0.3
137.09628	1.8
139.03932	0.1
145.02856	0.6
145.06541	0.1
147.04352	0.1
151.03912	0.3
153.01831	3.9
155.10643	0.1
163.03893	0.6
163.07532	0.2
165.05493	0.5
165.06897	0.1
165.09114	1.8
167.07042	0.9
169.06485	0.2
171.02872	0.8
177.05527	0.2
181.04959	0.4
191.07014	0.6
203.07124	0.2
207.06517	0.1
211.03964	0.1
217.12233	0.1
225.05486	0.4
229.05107	0.2
247.06065	0.2
271.06015	100.0
272.03540	0.2
272.06326	1.9
287.05664	0.2
327.14389	0.4
339.08789	0.1
344.63229	0.1
359.15060	0.1
597.20313	0.2
615.20874	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2069
Annotation	Resinoside A
Peak:m/z	Relative Intensity
53.03935	0.3
55.01855	0.7
55.05506	0.4
57.03427	0.2
65.03912	0.3
67.01858	0.5
67.05473	0.4
68.99792	0.3
69.03417	0.7
69.07063	0.4
70.06590	0.4
71.51110	0.4
79.05489	1.5
81.03400	0.6
81.07053	0.4
83.04957	0.3
85.02895	0.5
86.09697	0.3
91.05479	1.4
93.07033	3.9
95.04964	0.9
95.08581	0.4
97.02880	0.5
97.06528	0.6
99.04456	0.3
102.27370	0.2
103.05459	0.7
105.07000	1.2
107.04942	0.9
107.08621	1.0
109.02863	0.4
109.06533	0.2
109.10145	0.2
111.04422	0.3
115.05437	0.3
117.03341	0.2
119.08569	0.4
120.08144	0.2
121.06480	0.5
121.10146	3.3
122.03622	0.2
123.04374	0.3
123.07999	0.2
123.11617	0.2
127.03925	0.2
128.06186	0.2
129.07016	0.3
131.04915	0.8
131.08553	0.3
133.06511	0.4
133.10172	0.2
135.04440	1.6
137.02345	0.9
137.05989	3.7
139.04025	0.2
143.08566	0.2
145.06450	0.4
146.03685	0.2
147.04399	0.3
148.05174	0.3
149.05989	0.2
149.09630	2.1
151.03903	0.4
151.07503	0.4
153.01825	4.6
153.05476	0.3
155.06171	0.2
159.08009	0.4
161.02319	0.9
161.05989	0.4
163.03920	0.6
163.07544	0.6
165.05443	0.5
165.09018	0.2
167.07025	3.5
167.10654	0.3
169.07562	0.3
171.02866	0.8
173.06035	0.3
177.05504	0.6
179.03357	0.3
181.04964	1.6
185.05983	0.2
187.07617	0.3
189.09077	0.3
191.07024	3.1
209.08081	0.8
213.05388	0.3
217.04755	0.2
217.08569	0.3
219.10162	0.4
221.08078	0.5
233.08144	0.6
235.09534	0.3
241.04971	0.8
249.11201	0.9
259.09674	0.2
269.04349	0.5
271.05835	0.3
286.04626	0.3
287.05490	100.0
288.05804	2.3
293.13776	0.6
297.10950	0.2
299.05505	3.1
301.06915	0.3
309.07620	0.2
311.14935	0.3
327.12000	0.5
359.14685	0.9
369.13501	0.3
387.14047	0.3
389.15787	0.5
417.15439	0.4
435.14444	0.8
443.16766	0.2
453.11685	0.4
549.67462	0.2
567.17950	0.2
579.18707	0.3
597.19440	0.6
614.70428	0.3
615.22656	0.4
617.96100	0.2
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
50.99078	1.0
53.03944	2.3
54.08379	1.1
55.05272	1.5
55.05514	16.5
57.03428	6.0
57.07061	3.4
65.03935	1.8
67.05505	50.1
69.07067	18.2
70.71486	1.6
70.71817	1.4
71.04983	2.4
71.08646	2.1
79.05025	1.2
79.05495	26.4
81.07058	54.1
83.04980	1.9
83.08634	8.9
85.06532	1.6
91.05482	22.8
93.07042	30.4
95.04974	3.1
95.08607	43.7
95.35104	1.0
97.06527	2.1
97.10166	3.0
105.06403	2.0
105.07040	23.1
107.08588	25.0
109.06503	2.5
109.10152	21.5
111.08098	2.4
117.07033	10.6
119.08585	22.9
121.10146	20.1
123.08005	1.1
123.11708	9.4
125.09587	1.3
128.06171	1.4
129.07022	4.0
131.08572	17.5
133.10133	22.0
135.11703	15.5
137.13277	4.1
143.08511	5.2
145.10123	18.8
147.11702	15.8
149.13249	10.3
155.08545	2.0
157.10141	6.4
159.11670	14.7
161.13263	12.8
163.11168	1.4
163.14856	3.6
169.10205	1.7
171.11693	7.1
173.13277	12.8
175.14812	6.8
177.16403	2.6
179.14343	1.3
183.11743	2.0
185.13284	6.8
187.14844	7.2
189.16451	3.0
191.14325	1.4
191.17842	1.5
197.13312	1.7
199.14854	2.5
201.16472	3.2
203.17969	2.2
213.16377	2.4
215.17973	2.6
217.19594	1.5
227.18100	1.6
229.19530	1.4
231.21136	1.6
241.19565	3.1
243.21161	3.7
247.20605	1.7
259.20554	9.0
261.22137	10.7
270.56000	1.1
277.21634	1.8
279.23367	1.1
285.22043	2.1
295.22729	1.7
299.23651	2.4
301.25363	2.3
313.25476	1.3
315.23306	1.3
317.24963	2.1
333.24060	6.0
335.25766	14.5
335.29486	1.4
337.27237	7.7
402.63379	1.1
424.12875	1.4
503.36801	1.6
521.43787	4.6
527.77167	1.3
539.44672	3.8
543.40509	1.5
580.85980	1.3
595.47308	11.7
613.48285	100.0
614.48682	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	614.4259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.8
55.05503	32.1
57.03426	18.1
67.05507	88.8
69.03432	7.9
69.07062	24.9
70.42195	5.1
71.04953	8.0
71.08611	19.7
71.52527	8.0
71.92748	6.8
74.28632	5.2
79.05488	79.9
81.03419	66.4
81.07050	95.9
83.04998	30.8
83.08618	34.3
83.21508	5.5
85.02891	23.2
85.06532	12.6
91.05471	74.5
93.07049	69.1
95.04974	44.1
95.08597	46.6
97.06504	12.2
97.10156	10.0
99.08076	20.6
105.07022	56.5
107.04950	9.0
107.08591	31.5
109.06496	15.8
109.10129	9.3
111.08078	22.8
117.07003	18.4
119.08595	42.8
121.06550	5.4
121.10139	32.8
123.11718	6.2
129.07010	14.2
131.08571	33.1
133.10153	40.5
135.11691	18.9
142.07782	10.0
143.08522	9.2
145.10059	13.8
147.08046	8.8
147.11682	25.7
149.02237	7.5
149.09604	14.0
149.13235	16.4
151.11174	23.0
157.10100	19.0
159.11693	11.1
163.11179	19.0
175.11180	24.8
177.12662	8.2
182.90996	5.5
184.07294	8.1
193.12263	58.1
195.13855	11.3
211.13280	85.5
221.15437	7.9
227.12798	9.7
238.88994	6.4
253.24547	5.7
259.20444	6.3
267.15918	18.3
269.17441	16.1
277.21625	20.6
285.16971	50.2
351.25305	18.6
385.13235	7.6
452.89215	5.8
461.28818	25.6
479.30054	100.0
543.36475	9.6
561.37836	16.3
586.79486	6.3
614.36627	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04674	0.3
51.09106	0.3
54.00501	0.3
55.05497	0.4
57.07077	6.2
58.06596	2.1
65.03927	0.8
67.05495	0.4
68.05025	0.4
68.53902	0.3
69.07057	0.6
69.87256	1.2
70.06594	17.5
71.08634	2.4
72.08126	0.7
72.72314	0.3
74.06070	0.5
79.05484	0.4
81.07066	0.5
84.08104	0.5
85.10178	0.9
86.09651	0.3
88.07632	20.7
91.05441	0.5
91.20395	0.3
93.07021	0.5
95.04951	0.4
95.33599	0.3
98.20882	0.4
102.09182	14.5
103.05450	0.4
105.03374	0.8
106.39855	0.3
121.02901	0.4
131.04912	0.7
132.02032	0.3
136.12663	0.3
147.04440	0.6
149.02342	44.2
150.02626	0.5
153.06932	0.3
175.03886	0.9
187.43646	0.3
193.04964	51.1
194.05331	0.6
212.23700	0.6
219.06534	0.9
225.05423	0.9
256.26355	45.9
257.26709	1.0
269.04382	2.1
297.03952	2.7
313.07080	3.3
335.26010	0.4
341.06561	11.4
342.06955	0.4
359.07663	6.7
385.09177	51.0
386.09518	1.4
596.32214	0.6
614.33215	100.0
615.33405	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	613.2651
Annotation	Karajinone B
Peak:m/z	Relative Intensity
53.03935	1.0
55.01857	1.0
55.05504	2.0
57.07064	1.2
67.05514	3.6
69.07093	1.4
71.08639	0.7
71.51522	0.8
79.05490	3.1
81.03408	1.4
81.07057	4.3
83.08620	1.3
86.01273	0.7
91.05482	1.8
93.07019	3.5
95.04972	1.9
95.08601	2.1
95.95949	0.7
97.06577	1.0
105.07026	2.2
107.08598	1.8
109.06521	2.6
109.10121	1.5
117.06999	1.0
119.08596	2.3
121.06532	0.7
121.10159	2.2
131.08606	1.9
133.10120	1.6
135.11671	1.3
145.10120	2.2
147.07945	0.9
149.09583	0.8
163.11223	1.4
169.10066	0.9
171.11758	0.9
173.13332	0.9
221.15462	1.4
260.66232	0.6
275.20047	1.1
287.16452	0.8
293.21204	1.2
367.15442	1.1
379.15445	1.0
381.17050	2.2
383.18600	0.8
395.18881	3.5
396.19531	4.4
397.20047	0.9
408.19711	1.0
409.16187	1.5
409.20923	1.7
410.20776	1.0
411.21786	2.4
423.18137	3.2
424.19119	2.7
430.90958	0.8
437.15503	1.1
437.20282	1.1
438.20526	2.5
439.21341	5.4
449.19443	1.4
451.16931	4.4
452.17978	0.9
453.19025	1.5
466.19507	4.7
467.21155	3.4
478.29135	0.9
479.20877	2.9
493.22232	1.0
497.25809	1.3
510.22870	1.4
521.20807	0.9
525.25049	9.6
535.23309	0.9
538.22089	2.3
553.24512	16.4
613.26495	100.0
614.27325	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4821
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.03942	2.5
55.01843	1.5
55.05510	22.4
57.03436	6.6
57.07072	4.0
65.03940	3.7
67.05505	63.3
69.03426	1.1
69.07068	22.3
71.05009	1.7
71.23564	1.5
79.05489	38.7
81.07056	66.8
81.98654	0.8
83.05004	1.7
83.08620	11.9
85.06541	1.7
89.78049	0.9
91.05476	27.2
93.07044	41.8
95.04974	3.6
95.08605	54.3
97.06526	3.6
97.10165	5.5
99.08061	1.1
105.04549	1.3
105.07033	31.8
107.08587	30.2
109.06496	1.1
109.10153	23.0
111.08095	1.7
111.11687	1.6
117.07025	14.2
118.64672	0.8
119.08576	29.1
121.10137	22.3
123.08055	2.1
123.11702	9.7
128.06241	2.0
128.50319	1.1
129.07004	5.7
131.08566	20.4
133.10124	20.2
135.11690	14.1
137.09634	1.2
137.13274	2.0
139.11221	1.1
141.06987	1.7
143.08548	8.3
145.10107	20.6
145.11156	1.4
146.10493	1.0
147.11676	16.0
149.13263	10.6
151.11118	1.2
151.14799	1.3
155.08611	1.1
157.10153	7.0
159.11694	15.9
161.13243	12.3
163.14845	3.9
169.10149	3.1
171.11694	5.9
173.13268	10.7
175.14798	5.5
177.16458	1.7
179.14241	1.0
180.88081	1.0
183.11673	2.3
185.13280	5.6
187.14839	8.2
189.16425	4.1
191.17938	1.8
195.11635	1.2
197.13316	1.5
199.14841	4.4
201.16409	3.3
203.17984	1.5
211.14908	1.9
213.16394	2.3
215.18008	3.6
217.19545	1.1
227.18027	1.6
231.21123	1.1
241.19664	2.3
243.21165	2.7
245.19228	1.0
245.22379	1.2
259.20596	8.0
261.22119	11.7
263.23746	1.6
273.22095	1.4
277.21652	1.6
281.21158	1.5
285.22363	1.5
287.23660	1.8
313.25131	1.5
315.23242	1.6
317.24936	1.2
327.26672	1.3
332.42413	1.1
333.24127	5.6
335.25824	11.1
337.27420	7.4
355.29916	1.5
371.38141	0.9
387.29263	1.1
411.32062	1.0
451.35434	1.2
481.95956	0.9
489.35532	1.3
517.39020	1.5
521.43549	6.2
539.05475	1.1
539.44550	3.7
543.40344	2.1
595.47235	9.3
613.48254	100.0
614.48749	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	613.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	1.6
53.03933	4.0
53.93927	1.1
55.01846	1.5
57.03432	1.8
64.70715	1.0
67.05495	4.3
69.03407	3.6
69.60371	6.7
71.01333	2.2
75.47069	1.1
77.03931	1.3
79.05491	11.9
81.03407	4.7
83.04974	1.8
85.02904	2.6
86.24460	1.1
90.50497	1.1
91.05463	6.7
91.29259	1.1
92.34789	1.0
93.07053	5.6
95.04963	51.2
95.05576	2.6
97.02893	5.1
103.05452	10.5
105.03415	1.6
105.04490	1.6
105.07030	18.2
107.04951	51.9
109.02877	49.9
109.06512	2.3
115.05474	1.4
117.07054	1.6
121.05707	1.1
121.06509	15.6
122.03652	1.7
123.04433	11.3
125.02351	22.9
125.05981	5.6
127.03919	1.7
131.04944	9.2
131.08466	1.1
133.02763	1.3
133.06483	25.3
135.04422	6.9
137.05966	41.9
139.03822	1.4
145.04964	1.8
149.05974	22.4
150.06763	6.6
151.03897	100.0
151.07533	2.0
152.04358	1.5
153.05463	8.8
159.04398	7.9
159.07954	1.5
161.05977	2.8
163.07530	7.0
164.08322	1.4
165.05368	1.2
165.09114	21.1
165.34982	1.1
167.07031	1.4
175.07581	5.8
175.08858	1.1
177.05470	40.0
177.08995	2.8
179.06944	1.5
180.28160	1.2
181.08603	2.0
183.10135	5.7
184.09790	1.2
189.09149	2.0
191.10590	2.0
193.08582	1.4
195.06517	38.3
203.10669	4.4
213.91240	1.2
219.10123	1.5
221.11707	4.7
226.55121	1.3
233.08080	1.6
239.12708	3.9
244.99658	1.1
251.09113	10.2
251.56133	1.2
257.13800	21.0
265.14453	2.7
267.12302	1.6
311.81366	1.4
315.12329	1.4
363.14395	7.6
389.15936	25.0
415.17667	14.0
426.42130	1.4
433.18802	6.3
466.46356	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2279
Annotation	Divinyl chlorophyllide a
Peak:m/z	Relative Intensity
53.03931	1.1
55.01860	1.2
65.03934	3.0
67.05498	1.3
69.03403	0.5
69.07042	0.6
69.24214	2.9
69.24641	2.5
78.04711	3.3
79.05498	3.1
81.03414	1.2
81.07030	1.1
84.39426	0.7
85.02878	2.3
86.09682	0.6
90.05453	0.5
91.05488	6.4
93.03388	0.6
94.04194	0.6
95.04954	1.7
97.06511	1.4
98.20650	0.5
103.05466	3.6
105.07030	1.3
106.04142	1.4
107.04964	3.9
108.02111	0.5
110.03640	1.9
111.04419	1.4
115.05444	5.5
116.82838	0.5
117.06254	0.6
117.07024	8.4
118.04128	1.0
119.04943	4.2
120.13474	0.5
121.06503	0.6
122.03633	0.9
123.04423	8.7
124.05230	2.9
125.06018	1.6
127.05459	0.8
131.04918	2.6
132.05692	0.9
133.02829	1.4
133.06493	1.5
134.03581	0.6
135.04424	1.3
137.05975	9.6
137.66907	0.7
142.02626	0.7
143.04939	1.0
145.05421	1.0
145.06491	14.5
147.04398	5.8
147.08051	1.3
148.05212	1.0
149.05978	1.5
151.03932	6.0
151.05031	1.1
151.07593	1.0
152.04686	2.6
153.05519	3.4
155.06044	5.0
160.05171	0.8
161.05974	3.1
163.03943	2.4
163.07501	2.4
165.05460	1.7
167.07042	100.0
168.07352	1.1
171.06506	1.6
173.05991	20.3
174.06644	0.5
175.07547	2.0
177.05470	0.8
179.07057	2.2
181.04958	38.0
182.05362	0.6
189.09113	0.7
191.07037	10.7
192.07773	0.8
193.05020	0.6
193.08658	0.9
195.06459	0.8
199.07506	0.6
201.05496	0.9
203.07060	1.7
205.08643	4.8
217.08597	0.6
219.08311	0.7
220.11804	0.5
221.08002	0.5
225.07492	0.8
233.08067	7.2
235.07544	0.8
235.09636	6.8
249.08942	0.5
250.06200	0.5
259.09705	0.6
263.09219	2.2
265.08679	0.9
267.10486	0.6
281.07950	0.5
283.09613	0.5
293.07892	0.6
297.11447	0.7
307.09784	0.5
325.10590	1.0
327.12091	1.0
355.11581	0.8
357.13208	4.6
381.13269	0.7
385.12820	22.8
386.13327	0.7
387.14395	9.0
399.14691	0.7
411.14594	0.9
417.15445	14.7
529.02594	0.5
569.52856	0.6
583.21478	2.9
613.22803	44.0
614.23438	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.8
55.01865	0.6
65.03923	1.9
67.05484	0.8
78.04695	2.4
79.05471	1.2
81.07024	0.5
82.04198	0.6
85.02888	1.2
91.05479	3.1
93.03372	0.7
93.51385	0.4
95.04967	2.4
97.06517	1.1
103.05480	2.2
106.04166	2.1
107.04942	2.1
108.02098	0.7
110.03649	1.7
111.04410	1.7
115.05457	5.4
117.07013	8.4
119.04950	2.8
123.04429	8.0
124.05227	2.6
125.05980	1.6
127.05382	0.8
131.04921	1.3
133.06491	0.7
135.04449	0.6
137.05988	6.0
142.02589	0.9
143.04832	0.6
145.06485	13.9
147.04416	3.2
147.08057	0.7
149.05904	0.7
151.03938	2.9
151.07529	1.2
152.04675	2.3
153.05450	2.8
155.04845	0.6
155.06021	4.8
155.07140	0.8
160.05121	0.5
161.06044	0.9
163.07506	0.5
165.05501	0.9
167.07036	100.0
168.07364	1.4
171.06516	1.6
173.05980	22.0
175.07509	1.9
177.05447	0.8
179.07051	1.5
181.04948	32.9
187.62766	0.4
191.07010	1.3
195.06639	0.6
201.05597	1.0
203.06984	1.5
205.08598	5.9
231.06546	0.9
233.08081	6.2
235.09636	5.7
239.06992	0.5
263.06955	0.5
265.08554	0.6
267.09930	0.4
288.05383	0.5
301.07004	0.9
302.07336	1.3
303.07654	1.6
304.07748	0.9
305.08069	0.6
310.08325	0.8
357.13354	3.6
385.12772	20.3
386.13129	0.6
387.14319	6.7
417.15408	11.3
467.13669	0.6
583.21924	2.6
613.22748	44.0
614.23059	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	613.2277
Annotation	Divinyl chlorophyllide a
Peak:m/z	Relative Intensity
53.03932	0.7
55.01854	0.3
65.03938	2.6
67.05489	1.2
69.03421	0.7
69.93325	1.7
78.04710	2.5
79.05477	1.4
81.03398	0.5
82.04202	0.5
85.02913	1.6
91.05482	4.6
93.03391	1.0
95.04957	1.6
97.06513	0.8
98.20726	0.4
103.05453	2.6
106.04158	1.6
107.04936	2.1
108.02065	0.4
109.02859	0.5
110.03651	1.8
111.04420	0.8
115.05445	6.7
117.06234	0.6
117.07014	8.4
119.04946	4.0
122.03635	0.6
123.04432	6.7
124.05193	3.2
125.05965	1.1
127.05415	1.1
128.06172	0.4
130.04121	0.8
131.04944	0.9
133.06500	0.6
135.04376	0.9
137.05965	5.5
138.03079	0.7
139.03888	0.3
142.02612	0.8
143.04884	1.0
144.05714	0.3
145.06477	13.8
147.04407	4.1
147.08034	0.5
149.05890	0.4
151.03911	2.0
151.07529	0.6
152.04684	2.0
153.05475	2.7
155.04893	0.6
155.06039	4.6
160.05156	0.7
161.05965	0.8
163.03958	0.7
165.05479	0.9
167.07028	100.0
168.07355	1.1
171.06532	1.9
173.05981	23.1
175.07524	1.8
179.07059	1.6
181.04948	33.2
187.07449	0.4
189.05452	0.3
191.07083	0.6
193.08531	0.4
201.05313	0.6
203.07050	1.2
205.08603	5.6
207.08092	0.5
207.10071	0.4
213.05423	0.5
219.06445	0.4
221.07942	0.5
231.06528	0.5
233.08046	5.2
235.07466	0.3
235.09604	5.4
237.05562	0.4
237.08902	0.4
254.29813	0.4
263.06870	0.4
264.07526	0.3
265.08578	0.6
282.08871	0.4
287.05652	0.4
291.13254	0.7
292.07260	0.4
293.07889	0.4
294.08844	0.3
295.09497	0.3
297.11240	0.8
299.09033	0.4
310.08325	0.5
325.10696	0.8
326.11481	0.4
341.09894	0.4
357.13260	3.4
385.12793	19.7
386.13312	0.5
387.14368	4.9
411.13861	0.4
417.15439	10.4
417.21033	0.5
482.19785	0.4
502.79868	0.3
542.51764	0.4
583.21851	2.9
613.22754	42.7
614.23157	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23196	0.5
52.35793	0.4
53.03938	0.9
54.41028	0.3
55.01873	1.1
65.03944	3.3
67.05476	1.3
69.03425	1.0
70.06582	0.5
70.75526	0.9
70.75860	0.9
71.65797	0.4
78.04709	2.4
79.05505	2.8
81.03410	1.2
81.07049	0.8
82.04190	0.9
85.02892	1.6
89.03889	0.4
91.05471	5.2
92.30090	0.4
93.03383	0.9
93.07024	0.5
94.04162	0.6
95.04980	2.2
97.06526	1.4
103.05456	3.6
105.03388	0.6
105.07037	1.1
106.04176	1.1
107.04946	3.9
108.02067	0.8
109.02827	0.7
109.06534	0.7
110.03632	2.0
111.04413	1.3
115.05453	6.2
117.03329	0.4
117.07011	10.1
117.07851	0.5
118.04136	0.8
119.04939	3.7
119.08568	0.8
122.03600	0.6
123.00758	0.4
123.04427	8.8
123.08097	0.5
124.05210	3.4
125.05970	1.1
127.05408	1.3
128.06168	0.5
129.06982	0.8
130.04057	0.4
131.04915	2.6
132.05667	0.8
133.02827	0.7
133.06500	1.1
135.04416	1.5
137.02316	0.5
137.05974	7.5
138.03145	0.9
139.07474	0.5
142.02579	0.9
143.04865	1.0
144.05722	0.8
145.02776	0.6
145.06476	15.0
147.04398	4.2
147.07976	1.0
148.05135	1.2
149.05945	0.8
151.03897	6.6
151.05002	0.7
151.07567	1.1
152.04689	2.6
153.05444	3.4
155.06024	4.7
157.06444	0.6
159.04422	0.7
159.08092	1.0
160.05176	0.5
161.06012	2.3
163.03888	5.1
163.07486	2.3
165.05496	1.8
167.07030	100.0
168.07327	0.8
171.06554	2.0
172.05212	0.6
173.05983	20.9
175.07538	1.7
176.04651	0.5
177.05469	1.2
177.08833	0.7
179.07019	1.8
181.04953	42.4
182.05244	0.5
183.06581	0.5
187.07527	1.0
189.05408	0.7
191.05267	0.5
191.07014	10.2
192.07681	0.5
193.05145	0.5
193.08664	1.0
195.06459	0.9
201.05545	1.3
203.07010	2.0
205.08572	6.0
207.06554	1.1
209.08041	0.9
211.13261	0.6
215.07008	0.8
217.08618	0.5
231.06384	0.9
233.08044	7.7
235.07521	0.6
235.09650	6.6
250.06325	0.6
253.08458	0.6
259.09622	1.2
263.09164	2.9
265.08487	0.7
277.08450	0.6
280.07147	0.5
282.08798	0.4
293.08069	0.6
295.09460	0.7
297.11139	1.0
299.09152	0.6
301.07126	0.5
319.12125	0.4
325.10745	0.8
355.11902	0.6
357.13220	4.3
370.53351	0.5
385.12753	21.5
386.13223	1.0
387.14380	8.0
399.14337	0.7
417.15405	13.9
418.15918	0.5
583.22034	3.0
613.22729	41.5
614.22937	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.7
53.64587	1.2
55.01866	2.3
59.04996	3.4
65.90052	1.1
67.05478	2.7
69.03421	4.3
69.47469	5.7
69.47883	3.0
69.57144	1.3
71.01349	2.4
78.57425	1.2
79.05493	9.5
81.03410	4.3
83.04984	1.8
85.02896	3.7
85.52897	1.1
90.35279	1.2
91.05475	4.8
93.07040	4.9
95.04967	24.6
97.02882	3.2
98.21534	1.6
100.42861	1.3
103.05469	5.6
104.55859	1.2
105.03438	1.4
105.93638	1.2
107.04298	2.1
107.04956	21.6
109.02880	100.0
109.06522	4.3
110.03216	1.4
111.04411	1.8
119.04945	3.1
121.06516	9.7
123.00822	1.9
123.04427	10.5
125.02319	3.1
125.05949	1.6
127.03901	3.2
131.04913	5.1
135.04387	2.3
137.05974	3.6
139.03891	21.2
141.05444	1.5
145.04939	2.2
147.04387	2.3
149.05974	14.9
151.03899	46.2
153.05435	1.4
159.04398	4.0
165.05476	88.1
166.05901	1.5
167.07066	7.9
177.05472	77.5
178.05832	2.1
183.06546	2.3
191.07030	1.9
193.04964	10.0
195.06523	9.2
207.06569	3.6
209.08101	56.4
210.08531	1.5
211.06110	7.6
225.07561	16.1
243.08704	2.3
287.05499	22.0
288.05826	15.1
289.06012	18.7
450.11896	1.3
451.11093	2.2
613.26941	1.9
635.88934	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.4105
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14310	2.7
55.01858	11.8
55.05516	28.0
57.03426	7.6
57.07051	4.1
64.46548	2.7
65.03925	4.0
67.05508	50.0
67.45668	2.8
69.03427	3.1
69.07074	16.8
71.04962	3.1
71.08628	6.6
79.05491	47.4
81.03421	14.4
81.07053	39.9
83.01330	6.6
83.04993	21.6
83.08612	16.5
91.05461	37.1
93.07040	47.8
95.04968	14.2
95.08607	29.0
97.06528	9.4
97.10188	3.9
99.08081	8.9
105.07045	24.7
107.04946	7.8
107.08574	23.0
109.06506	12.5
109.10159	4.2
111.08102	4.0
115.05417	4.7
117.07014	12.5
119.08562	16.4
121.06481	4.5
121.10181	14.2
123.08053	11.5
123.11683	3.6
125.09659	3.6
129.06969	4.6
131.08568	14.1
133.10100	6.5
134.29871	2.9
135.11674	8.2
136.06151	7.1
143.08553	3.8
145.10088	13.2
147.11612	5.3
149.13268	8.0
151.11168	7.3
157.10017	5.1
159.11617	4.1
163.11194	21.7
166.22786	2.8
177.12679	3.6
181.12326	4.4
184.07375	3.9
185.13301	3.3
190.07524	3.3
193.12291	4.2
195.13849	7.7
198.37727	3.4
209.11705	7.1
211.13078	4.4
227.12746	7.4
251.16350	4.1
269.17444	13.0
277.21658	8.7
283.15317	33.9
300.91046	2.9
351.25278	9.7
439.21399	4.1
468.75281	3.5
477.28485	100.0
479.30069	3.8
525.24719	6.3
528.24414	3.5
538.22003	3.9
553.24133	13.3
559.36469	5.9
612.25720	6.8
612.46442	4.6
613.17511	5.1
613.26575	75.6
613.36475	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	611.4665
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	6.0
54.72800	3.3
55.05505	22.1
57.00288	3.5
57.03433	5.9
67.05502	50.1
69.07065	21.6
70.76440	6.0
79.05495	35.0
81.07051	43.5
83.08613	8.7
91.05469	32.0
93.06486	4.7
93.07045	43.3
95.04941	3.9
95.08595	41.0
96.10147	3.4
104.44270	3.7
105.07037	36.1
107.08601	24.4
109.10136	16.7
117.07001	16.0
119.08582	30.2
121.10133	18.6
123.11692	4.8
129.06970	8.6
131.08566	26.2
133.10104	19.4
135.11674	15.1
143.08565	12.4
145.10152	18.5
147.11678	15.2
149.13264	6.7
157.10153	13.3
159.11716	15.4
161.13303	7.9
169.10066	9.9
171.11682	12.1
173.13258	12.0
175.14839	3.9
183.11774	6.0
185.13208	6.9
195.11638	3.6
197.13213	9.0
199.14880	5.6
207.11647	3.4
213.16457	5.2
215.17894	4.3
241.19501	7.0
259.20566	11.1
333.24255	10.0
335.25824	20.0
519.41852	4.9
593.45898	6.5
611.46747	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4665
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.2
55.01869	2.8
55.05505	13.2
56.42297	2.1
57.03433	5.2
57.07061	2.4
65.03973	1.9
67.05503	45.3
69.07071	15.9
69.35320	15.3
71.08638	1.8
75.04469	1.6
76.86287	1.7
79.05489	27.8
81.07055	44.7
81.07538	2.4
83.05067	1.7
83.08614	10.0
85.06541	2.9
89.06013	3.4
91.05470	23.1
93.07044	34.4
93.07632	2.0
95.04946	3.3
95.08607	35.0
97.06534	2.7
97.10167	2.8
105.07024	28.3
107.08583	21.0
109.10143	12.9
115.05430	2.3
117.07018	10.2
119.08565	26.3
121.10159	14.7
123.11729	3.8
129.07024	6.3
131.08554	23.0
133.10120	17.7
135.11705	10.9
141.07014	2.5
142.07817	3.0
143.08583	13.0
145.10112	22.3
147.11691	15.6
149.09648	1.7
149.13284	6.6
155.08591	5.2
156.09491	2.4
157.10153	12.0
159.11690	14.7
161.13283	9.7
162.25061	1.6
163.11217	1.6
163.14917	2.0
167.08510	2.5
169.10152	5.5
169.23094	1.7
171.11687	8.5
173.13223	12.1
175.14839	5.8
181.10204	3.2
183.11696	6.7
185.11862	1.7
185.13275	9.4
187.14890	7.3
195.11700	2.5
196.12611	1.9
197.13333	5.5
199.14792	8.0
201.16386	3.4
207.11610	1.8
209.13303	2.1
211.14894	2.7
213.16454	4.5
215.18098	3.0
223.14952	1.9
225.16382	4.5
231.21135	2.6
239.18092	2.7
241.19678	8.8
243.21159	2.3
257.19022	3.6
259.20554	15.1
261.22186	2.5
275.20438	1.9
277.21573	2.5
293.22403	1.8
304.97562	1.7
311.23630	1.7
315.23444	2.4
330.22427	1.7
333.24243	6.6
335.25821	17.3
351.26703	1.7
390.13370	1.9
435.87238	1.8
519.42029	8.8
537.43298	3.9
593.46045	8.0
611.46710	100.0
612.47144	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	611.4666
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.7
55.01865	1.7
55.05507	13.7
55.69529	1.2
57.03429	2.3
57.07071	4.0
65.03928	1.5
67.05503	25.1
69.03436	1.6
69.07059	12.6
70.97353	3.6
71.08634	2.8
79.05494	15.9
81.07055	24.8
83.04959	1.8
83.08640	6.5
85.06544	1.5
85.07044	1.1
91.05463	13.7
93.07037	20.3
95.04953	3.3
95.08606	20.9
97.06516	1.8
97.10159	4.4
99.08118	1.7
105.07029	16.7
107.08578	11.5
109.10153	9.6
117.07002	9.8
119.08573	13.9
121.10154	9.9
123.11667	2.8
128.06229	1.5
129.06999	10.2
131.08566	14.9
133.10117	10.4
135.11716	5.3
141.06989	2.9
143.08543	11.6
145.10115	15.4
147.11647	6.8
149.13287	2.8
155.08582	6.7
157.10144	11.3
159.11700	11.5
161.13310	5.4
169.10162	8.7
171.11670	8.6
173.13277	5.9
177.16461	1.6
179.14293	4.2
181.10159	3.0
183.11693	6.6
185.13300	5.0
187.14841	2.5
189.16383	1.5
195.11804	2.4
197.13269	5.8
199.14841	4.5
201.16409	3.5
205.19485	1.6
209.13246	4.2
209.15213	1.2
210.30342	1.3
211.14896	3.2
213.16438	4.6
215.18022	2.8
223.14824	2.3
225.16423	4.0
227.18045	2.2
237.16440	1.7
239.18042	2.1
241.19688	1.5
257.19247	1.5
267.21082	1.6
275.20178	2.0
277.21686	2.4
309.22278	1.5
353.28537	2.1
367.29938	1.8
428.38586	1.7
501.41306	1.7
519.41785	8.5
537.43237	4.5
593.45709	6.4
611.46716	100.0
612.47424	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	611.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.8
55.05507	7.0
57.03431	4.8
57.07064	1.4
62.78048	1.3
64.42276	1.1
67.05503	19.8
69.07061	6.4
71.04986	1.9
71.08311	1.6
71.08636	21.5
71.42596	3.3
79.05492	19.1
81.03400	4.9
81.07054	19.1
83.04971	5.4
83.08617	4.5
84.09151	1.3
85.06508	1.3
86.09718	1.5
91.05441	10.1
93.07040	25.0
95.04990	6.6
95.08607	17.2
97.06501	5.1
97.10151	2.2
98.98457	9.0
99.08090	16.0
105.07021	10.7
107.04944	5.2
107.08588	13.4
109.06523	1.6
109.10140	5.6
111.08128	1.9
117.07036	3.0
119.08582	7.8
121.10157	9.2
127.11195	1.7
129.06981	1.4
131.08536	3.9
133.10110	7.6
135.11693	13.4
137.09612	1.3
141.09125	1.8
145.10075	2.8
147.11673	3.2
149.13245	4.1
151.11174	8.4
152.46606	1.3
161.13243	5.1
163.03864	1.8
163.11206	3.9
165.05418	1.4
167.10696	1.9
179.14304	40.8
184.07341	2.4
195.13947	1.4
204.87236	1.3
235.16943	1.8
259.20831	1.8
261.03693	1.4
277.21634	28.9
287.05423	5.0
337.38965	1.6
351.25299	100.0
356.07043	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28474	0.1
67.01833	0.3
68.99780	0.2
69.03410	0.1
71.15005	0.2
71.15354	0.1
73.12799	0.1
85.02874	0.1
89.03907	0.1
97.02831	0.1
109.01344	0.1
117.03328	0.2
124.97249	0.1
127.03889	0.2
135.04410	1.1
137.02325	0.2
153.01817	2.8
154.02264	0.1
157.06477	0.1
161.02328	0.3
171.02890	0.2
179.03348	0.2
231.06522	0.1
241.04904	0.3
253.08966	0.1
259.06116	0.1
269.04434	0.3
287.05481	100.0
288.05829	2.7
288.08569	0.1
336.33377	0.1
355.15079	0.1
389.39221	0.1
398.45914	0.1
449.10791	14.0
450.11230	0.5
501.19077	0.1
520.97137	0.1
611.15918	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1597
Annotation	Rutine
Peak:m/z	Relative Intensity
53.27710	0.3
57.03440	2.2
57.60352	0.3
59.37411	0.3
61.02936	0.5
68.24542	0.3
68.99783	0.4
69.03403	1.3
69.93058	0.8
69.93472	0.7
71.04610	0.6
71.04993	10.9
73.02897	0.4
75.04468	0.6
79.05485	0.5
81.03397	1.1
82.16614	0.3
83.04967	0.7
85.02905	16.6
87.04470	0.6
87.59492	0.3
91.05484	0.3
93.03373	0.3
95.04955	0.4
97.02881	1.4
98.97555	0.4
99.91723	0.3
103.05427	0.4
107.04969	3.1
109.02871	1.3
109.41019	0.3
111.00816	0.6
111.04439	0.6
121.02833	0.5
123.04412	0.5
127.03911	0.8
128.98630	0.5
129.05492	3.6
131.04881	0.3
137.02351	2.2
139.03902	0.9
145.04961	1.0
147.06505	0.9
149.02391	0.4
149.05934	0.5
151.03893	0.3
152.43773	0.3
153.01840	2.9
161.05928	0.3
163.03889	0.5
165.01846	2.3
165.05513	2.6
166.02463	0.4
167.07024	1.2
173.05862	0.3
177.05545	0.4
183.02864	0.7
195.03064	0.3
201.05464	1.2
209.08061	0.7
213.05554	0.3
219.01886	0.4
219.06567	0.5
227.09239	0.3
229.04968	3.4
237.02928	0.6
246.06505	0.7
247.06007	0.5
257.04404	2.3
274.04596	0.3
285.03876	1.2
287.05560	1.5
302.04202	0.4
303.04980	100.0
304.05246	2.3
317.06659	0.6
327.08997	1.6
345.06085	0.6
465.10315	0.4
479.37457	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1603
Annotation	Cyanin
Peak:m/z	Relative Intensity
54.75353	0.1
56.84778	0.1
57.03426	0.2
61.02896	0.2
67.01846	0.2
68.99795	0.4
69.03423	0.7
69.85274	0.1
71.51335	0.2
74.87179	0.1
81.03409	0.4
85.02905	1.9
93.25420	0.1
97.02876	0.7
98.97558	0.3
99.04421	0.2
100.88282	0.1
107.04990	0.7
108.05259	0.1
109.02856	0.4
127.03927	0.5
135.04424	0.9
137.02296	0.3
145.04912	0.4
153.01828	3.1
161.02361	0.5
165.05478	0.4
167.06998	0.3
171.02919	0.4
177.05496	0.3
195.06485	0.2
209.08118	0.2
213.05457	0.2
219.01859	0.2
241.05054	0.4
269.04227	0.2
287.05496	100.0
288.05807	1.8
327.09113	0.3
445.10184	0.2
449.10803	9.1
450.10754	0.2
501.27615	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4511
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59558	0.8
52.47325	0.8
53.03929	2.2
55.01867	2.0
55.05510	18.7
57.03445	4.2
57.07072	1.5
65.03917	1.2
67.05505	32.5
69.07072	15.5
69.19028	7.8
69.19433	2.2
71.05008	1.7
79.05496	22.5
80.50620	0.8
81.07056	33.5
83.04968	2.2
83.08612	7.6
85.06551	1.3
91.05476	19.4
93.07049	22.0
95.04961	2.3
95.08606	26.9
97.06525	3.3
97.10160	5.2
98.21350	3.9
98.98487	1.5
105.07039	18.5
107.08601	15.7
109.06519	1.0
109.10162	9.0
109.64767	1.2
111.08041	1.2
111.85036	0.9
115.05481	1.8
117.07018	10.7
119.07814	1.4
119.08598	13.6
121.10133	11.3
123.08056	2.1
123.11707	2.9
125.09629	1.3
128.06236	3.4
129.07011	11.3
130.07826	1.0
131.08551	17.4
133.10139	12.5
135.11671	6.2
141.06995	5.6
142.07762	3.2
143.08548	15.9
144.09319	1.2
145.10118	18.9
147.11636	7.4
149.09578	0.9
149.13261	3.4
151.14897	0.9
153.07054	1.7
154.07820	1.3
155.08556	12.7
156.09375	1.5
157.10120	15.4
159.11703	12.0
159.12924	1.5
161.13229	4.8
163.14775	0.9
165.07057	1.2
166.07724	1.1
167.08578	7.0
168.09329	2.5
169.10118	17.0
170.10931	1.3
171.11681	16.7
173.13266	8.6
175.14815	2.5
177.16551	1.0
179.08600	2.7
180.09436	1.3
181.10115	10.3
183.11713	18.1
185.13261	11.4
187.14812	5.4
189.16425	2.2
193.10146	4.3
194.10861	1.4
195.11703	10.6
197.13266	13.9
198.13945	1.0
199.13327	1.3
199.14816	6.2
201.16380	2.5
203.69044	1.0
207.11719	2.7
209.13293	8.2
210.14063	1.1
211.14818	8.2
213.14737	1.1
213.16394	5.5
215.17957	1.2
219.11636	1.1
221.13300	2.8
223.14862	6.9
225.16434	5.0
227.18018	3.2
235.14905	2.2
237.16399	4.9
239.18050	4.3
241.19608	2.9
249.16379	1.8
251.17993	3.9
253.19695	1.8
257.18933	0.9
263.17978	1.9
265.19482	1.6
271.20721	0.9
275.20105	2.6
283.20557	1.3
295.20560	1.4
301.07074	2.4
323.23627	1.4
335.23654	1.3
339.26840	1.2
341.24863	1.2
345.24667	1.2
349.25165	1.3
351.26849	2.1
353.24799	1.5
363.26712	1.1
369.28061	1.1
391.30255	1.6
393.31638	1.3
397.31546	1.0
399.28674	1.1
425.30499	1.4
435.32706	1.5
437.33929	1.2
439.74420	0.9
447.32922	1.8
451.33755	1.0
461.34274	1.1
499.39374	1.9
511.38022	1.7
517.40454	13.6
518.41223	1.0
535.41742	8.0
539.37769	1.6
553.40338	1.2
573.43390	2.4
591.44104	15.5
609.45129	100.0
610.45392	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	609.451
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57738	1.1
55.01872	2.4
55.05507	16.2
57.03450	5.4
57.07076	1.3
57.30533	1.1
65.03938	1.3
65.38008	1.0
67.05499	23.1
69.07072	15.2
70.66746	3.1
71.05000	1.2
78.81524	1.0
79.05492	18.1
81.07054	26.3
81.07522	1.5
83.04982	1.2
83.08626	9.1
85.06502	1.5
91.05476	16.4
93.07040	18.2
95.04985	2.3
95.08604	19.8
97.06507	3.2
97.10160	4.3
98.98473	2.2
103.05478	1.1
105.07028	14.9
107.08607	13.1
109.10149	12.3
111.08050	1.6
117.07002	9.0
119.08584	14.0
121.10111	8.3
123.11697	2.5
125.09678	2.2
128.06253	3.2
129.06995	13.4
131.08549	13.7
132.34335	1.2
132.92854	1.3
133.10114	11.4
135.11664	6.8
139.11107	1.4
141.06978	6.8
142.07741	2.7
143.08566	15.9
145.10114	16.2
147.11646	6.7
149.13303	2.4
151.11157	1.1
153.07027	2.5
155.08548	12.0
157.10123	17.4
159.11711	10.7
161.13248	3.7
163.11140	1.5
163.14890	1.6
165.06892	1.6
167.08565	6.5
168.09352	2.3
169.10147	17.6
169.31538	1.3
171.11684	14.9
173.13210	6.4
175.14859	1.3
179.08557	2.3
181.10107	9.7
182.10852	1.8
183.11676	17.2
185.13266	9.9
187.14861	3.3
189.16446	1.7
191.76398	1.3
193.10141	3.3
195.11685	11.2
197.13257	12.3
199.14868	7.3
201.16383	2.1
207.11769	3.1
209.13257	9.0
211.14864	10.3
213.16411	3.9
219.11635	1.4
221.13284	3.9
223.14828	7.3
225.16391	7.2
227.18062	2.5
235.14790	2.8
237.16365	5.1
239.17998	3.9
241.19614	2.9
249.16339	1.8
251.17946	2.7
253.19498	2.4
258.57642	1.2
263.17923	1.9
265.19489	2.8
275.20212	1.7
279.20963	1.4
285.21786	1.2
286.04849	1.4
301.07013	2.1
323.23517	1.6
325.25247	2.0
327.22937	1.2
329.24847	1.4
337.25229	2.7
363.26688	2.3
365.28320	1.9
391.30286	1.4
393.31818	1.5
407.29227	1.5
411.85669	1.6
421.30957	1.5
437.34308	1.6
447.32370	2.7
451.76059	1.3
473.32315	1.3
485.32907	1.2
499.39285	2.4
511.37955	4.0
517.40314	17.0
535.41486	7.6
539.37323	1.4
553.42810	1.8
573.42389	2.0
591.44122	17.7
609.35980	6.5
609.45050	100.0
610.45233	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	609.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	12.7
55.01864	6.5
55.05506	25.0
57.03440	14.6
57.07074	2.2
65.03941	3.8
67.05501	57.7
67.05843	3.6
69.03423	23.3
69.07074	16.4
71.01347	3.4
71.04996	10.3
71.10835	4.1
79.05024	1.9
79.05117	1.0
79.05489	49.2
81.03416	100.0
81.07053	40.0
83.04979	24.6
83.08615	17.3
85.02897	15.3
85.06538	4.7
91.05470	47.5
92.05814	2.0
93.07041	55.5
95.04967	26.8
95.08601	17.1
97.02880	18.5
97.03341	1.5
97.06527	16.5
97.10178	9.8
99.04459	5.3
99.08113	1.8
102.11096	1.5
103.41692	1.7
105.07018	21.0
107.04953	9.1
107.08593	32.6
109.02872	18.4
109.06531	6.5
109.10175	11.0
111.04443	17.0
111.08093	6.4
115.05473	4.8
117.07024	12.2
119.08580	21.3
121.06516	6.0
121.10143	13.6
123.04484	2.6
123.08087	3.7
123.99249	2.0
125.09669	2.5
127.03889	12.0
129.06985	10.1
131.04964	2.9
131.08553	13.7
133.06487	3.4
133.10103	10.3
135.04523	2.7
135.08078	5.1
135.11688	34.5
137.05994	2.6
137.09619	2.3
143.08592	2.1
145.02898	1.6
145.06485	2.2
145.10124	9.2
147.04449	2.4
147.08080	3.2
147.11671	11.1
149.06004	2.5
149.09660	5.5
153.12793	2.9
157.06631	1.9
157.10135	7.7
161.09630	1.9
163.03864	2.7
163.07553	2.2
163.11148	13.5
165.12816	3.8
169.09984	1.8
171.08110	2.1
171.11676	2.1
173.04514	2.0
173.06087	2.1
173.09697	2.3
175.11165	12.3
177.05499	3.5
181.12201	14.3
181.31107	1.7
183.06528	1.7
184.07431	1.7
191.10712	6.4
193.12238	36.3
199.13248	2.1
208.17682	2.0
211.13271	58.8
227.12717	11.0
229.74031	1.8
235.11162	2.0
253.14468	3.6
255.15918	11.2
257.04559	3.9
258.05176	3.4
267.16025	8.2
283.15417	4.8
285.17096	3.9
286.04715	8.9
301.07004	18.5
301.09610	1.9
325.16360	3.2
337.16510	6.0
349.23825	2.9
355.17505	10.5
381.19025	2.0
411.20251	5.0
447.27457	11.4
465.28519	15.9
551.76013	1.9
573.30737	2.4
591.31750	4.0
609.32770	84.5
610.33374	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	609.2701
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
57.53678	0.4
61.04581	0.4
66.25243	0.4
71.42603	0.7
84.04057	0.4
142.14456	0.4
188.07188	0.5
224.12982	0.5
237.13844	0.8
251.74847	0.5
285.83005	0.5
307.84329	0.4
352.18143	0.5
376.16995	0.7
377.17682	0.9
389.18338	1.2
390.18585	1.4
391.19208	2.7
392.20242	2.5
393.20746	0.8
400.17282	1.0
401.17877	1.6
401.25940	0.4
402.18909	0.9
403.19388	0.9
404.20383	1.5
405.20895	4.4
406.21677	2.4
407.22269	4.4
412.17758	0.6
413.17688	1.0
414.18289	1.2
415.19254	3.2
416.20319	0.5
417.16940	0.8
419.18549	1.5
419.23053	1.0
420.23495	0.5
421.23798	5.1
422.24600	1.1
424.18524	0.6
427.19217	1.3
429.20889	4.0
430.21967	1.6
432.19449	1.2
433.15582	0.7
433.20081	0.8
433.24307	1.4
434.24899	1.1
441.21204	0.7
442.21609	0.9
443.22562	1.0
444.23108	1.5
445.20297	1.6
446.21143	0.9
447.18307	2.1
448.18854	0.6
449.23450	1.3
452.21902	0.9
457.24277	3.1
458.24860	1.2
459.21750	2.9
460.23373	2.2
461.19077	6.5
462.20166	2.7
463.21066	2.2
470.21161	0.7
471.17868	1.1
472.22812	1.8
474.20630	1.5
475.21066	8.8
476.21851	7.1
477.22458	5.5
478.23474	1.0
479.24371	0.9
485.23611	9.1
486.20160	2.9
487.25851	0.8
488.22287	1.3
489.22906	5.0
493.26566	0.7
494.26852	1.0
497.23581	0.8
499.21335	2.0
500.22076	1.2
503.24597	6.6
504.24545	1.9
513.22815	1.3
515.24402	8.9
517.22174	0.7
521.26184	2.7
531.23956	16.6
532.24286	1.0
535.23444	0.8
541.22156	1.1
549.24786	2.6
550.25830	3.9
559.23413	8.5
577.24646	1.4
591.26025	36.8
592.26416	1.3
609.27032	100.0
610.27594	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	609.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02953	0.8
59.44524	0.7
67.05491	2.8
69.07081	0.9
78.15662	0.7
79.05496	2.5
81.07055	2.6
91.05505	1.9
92.41129	0.8
93.07052	2.2
95.04970	0.9
95.08616	2.5
105.07049	2.1
107.08548	1.0
117.07024	1.3
119.08558	1.1
129.07051	0.7
133.10135	0.9
145.10124	1.0
150.28587	0.8
159.11711	1.0
229.69569	1.1
275.20078	1.8
390.18906	0.8
391.19263	1.6
392.20078	1.1
401.17441	1.7
405.20850	2.3
406.21533	1.5
407.22345	3.1
414.18552	0.9
415.19135	1.0
420.23288	1.0
421.23962	3.6
429.20819	2.0
431.18854	0.8
434.20840	0.9
444.23111	1.4
445.20761	1.4
447.17975	2.1
452.22067	1.3
457.24078	1.9
459.21899	2.7
460.22629	1.6
461.18991	5.4
462.20587	2.0
463.21021	1.9
475.21039	8.4
476.21762	5.7
477.22562	3.9
485.23621	7.2
486.20529	1.7
489.22769	4.8
499.21426	3.0
500.22284	0.8
503.24527	7.0
504.21671	1.3
507.23862	1.5
513.23523	0.9
515.24664	5.8
517.22186	1.3
521.25085	2.6
531.23889	8.0
541.22522	1.2
549.25238	1.8
550.25977	4.0
559.23230	4.7
563.26886	1.2
577.24847	2.7
591.26135	12.0
609.27063	100.0
609.44550	3.1
610.27307	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	608.4732
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52477	2.9
53.03936	4.4
53.43573	3.6
55.05506	19.6
56.05040	7.0
57.03434	5.1
57.07068	12.2
60.04526	100.0
63.92357	2.9
67.05505	28.4
69.07072	20.5
69.88228	12.6
69.88645	6.2
71.04994	21.2
71.08624	7.9
74.06070	6.1
79.05487	20.0
80.05017	4.4
81.03434	16.1
81.07054	33.4
83.08614	10.3
85.02908	5.0
85.06534	10.0
91.05470	8.3
93.07043	14.9
94.06593	8.5
95.04989	7.0
95.08612	37.2
95.95145	3.0
97.06509	15.9
97.10155	6.5
99.08107	6.5
105.07006	16.6
107.44596	3.3
107.47712	3.3
109.10168	5.3
110.09657	5.2
111.08073	12.1
121.10175	3.8
122.09663	12.1
123.08080	35.5
123.11690	4.0
128.10727	14.2
140.10701	95.3
141.09108	22.1
158.11803	30.1
176.12830	42.6
194.13889	97.5
244.11885	4.0
335.32849	4.3
518.42267	3.9
536.43060	11.2
554.44049	24.0
566.06659	3.8
572.45294	43.2
590.46289	67.2
608.47552	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	609.181
Annotation	Diosmin 
Peak:m/z	Relative Intensity
57.03416	0.2
69.46081	0.7
69.46505	0.5
71.04987	1.0
74.87922	0.2
75.04466	0.2
75.64147	0.1
85.02907	1.2
107.76960	0.2
129.05460	0.4
151.03937	0.2
153.00703	0.1
153.01848	0.5
220.78410	0.2
229.04889	0.3
257.04343	0.3
258.05243	19.1
259.05615	0.7
286.04718	43.0
287.05109	0.8
301.07059	100.0
302.07419	1.9
325.45026	0.2
343.97369	0.2
454.50650	0.2
463.12405	1.1
517.13666	0.2
519.43164	0.2
609.17828	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57418	0.7
55.01876	0.8
55.93473	0.5
56.05030	1.5
60.04512	0.6
61.02919	1.6
66.16308	0.5
68.05011	0.9
69.03428	4.8
70.06591	9.0
71.04989	0.6
71.20360	1.2
72.08160	6.2
73.02921	0.7
73.55217	0.5
81.03415	2.4
85.02907	7.4
86.06062	2.9
87.04480	1.4
91.05495	1.2
96.08090	0.8
97.02901	3.6
98.09722	0.7
99.04457	0.7
100.17143	0.5
105.07048	0.7
107.04976	1.0
109.02847	1.3
110.07170	1.3
114.05532	7.0
114.09122	1.4
115.05440	0.8
117.07024	3.9
119.08590	0.9
124.03933	0.8
127.03934	1.3
128.06224	1.4
129.07019	2.0
130.06555	0.9
131.07336	1.5
131.08566	3.0
139.03864	0.6
141.06984	5.1
142.08632	16.3
143.07437	0.6
143.08585	2.5
144.08124	1.3
145.06491	1.6
146.09654	14.9
151.03943	0.7
153.06972	0.9
156.07716	1.0
157.06462	1.0
159.08044	4.1
165.05492	1.2
169.06470	7.3
170.09717	3.1
171.08040	3.1
172.07596	1.2
173.06036	1.1
174.09154	46.6
185.05978	1.0
186.09157	1.9
187.07584	4.7
188.10725	3.2
197.05995	5.1
198.09184	1.9
199.07558	1.4
201.05476	0.8
204.10205	3.7
214.08644	1.8
215.07051	5.3
216.10204	10.9
218.08203	1.6
222.03951	1.3
226.08702	1.3
228.10233	0.8
232.09717	0.8
242.08041	1.0
244.09718	21.3
246.11305	1.2
248.12834	1.8
258.11307	3.0
260.09167	2.6
274.10696	0.6
276.12320	17.2
299.13916	1.0
301.15512	1.7
327.07178	0.6
336.14441	0.7
371.16064	1.4
377.10934	0.7
403.18567	1.1
438.17615	100.0
439.17892	1.5
452.19003	3.5
482.16565	4.8
493.21680	1.4
537.24567	1.4
565.23962	31.6
609.22943	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	608.2838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64779	0.2
67.05499	0.3
69.07066	0.3
69.19092	2.8
71.53268	0.2
85.98192	0.3
97.02895	3.2
112.23486	0.2
119.03528	0.7
136.06172	100.0
137.04663	0.5
149.45367	0.2
250.09378	0.4
348.07010	31.5
349.07275	0.3
368.11948	0.3
480.90277	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2904
Annotation	13-epi-Phaeophorbide a methyl ester
Peak:m/z	Relative Intensity
252.89421	1.2
283.51620	1.2
403.19357	4.2
405.21182	2.7
417.20911	4.9
418.21765	2.6
419.22318	5.1
431.18112	11.1
432.19290	3.6
433.24057	9.2
434.24683	1.6
445.19904	13.9
446.20712	6.8
447.21884	7.7
459.21783	4.7
460.22595	20.2
461.23279	20.4
473.23154	5.9
474.24261	1.8
477.22845	2.0
487.24817	4.0
488.25977	1.4
489.22412	1.3
494.90765	1.2
505.21817	6.1
515.23914	1.3
519.23193	2.2
519.27386	1.4
532.24554	1.5
533.25830	1.7
547.27026	47.6
548.27289	1.3
575.27155	1.5
607.29138	100.0
608.29352	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	607.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42376	0.6
65.40523	0.5
69.22171	7.5
79.18137	0.7
86.25083	0.6
98.21542	1.5
100.61443	0.7
387.16245	0.9
389.17685	2.1
402.18683	2.2
403.19211	3.5
404.20062	1.3
405.20770	1.6
415.19302	1.7
416.20221	1.0
417.17444	1.2
417.21231	6.2
418.21704	3.8
419.22354	3.8
430.17648	2.3
431.18076	11.5
432.19217	1.4
433.23923	13.5
434.24600	1.8
444.19199	1.6
445.19815	13.9
446.20718	5.2
447.21619	4.8
459.21381	6.3
460.22501	15.2
461.23361	16.7
473.23465	3.4
474.24765	1.4
477.22571	1.0
487.24991	1.5
488.25647	1.1
489.22827	0.9
492.24390	0.9
504.25488	1.0
504.61081	0.7
505.22290	1.9
515.24603	0.9
519.23285	1.1
519.28333	1.3
532.24640	1.0
547.27026	49.4
548.27301	2.3
579.29590	1.3
607.29132	100.0
608.29321	2.6
608.82245	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38958	0.5
55.05455	0.6
58.99819	1.0
62.85299	0.5
64.05640	0.5
67.05466	1.2
69.07018	0.7
70.20515	1.0
70.20906	1.3
77.00906	3.2
79.05437	1.3
79.25487	0.5
80.02673	0.5
81.03355	1.5
81.07003	2.3
83.04976	0.6
84.72693	0.5
91.05428	1.7
93.06983	1.6
95.01929	2.6
95.08581	1.2
96.35832	0.5
98.21440	0.8
105.06972	1.0
107.08542	0.7
109.10083	0.6
116.93642	0.5
119.08548	1.3
131.01895	0.5
131.08536	0.7
133.10089	0.8
145.10127	0.7
145.18666	0.5
146.59335	0.5
159.11603	0.5
173.06644	0.6
177.93950	0.5
182.04152	0.6
185.06526	0.9
187.08072	1.7
197.10130	0.6
201.09779	3.1
207.04944	3.1
209.06462	0.6
213.09712	1.0
215.11198	1.7
219.10771	1.5
221.06468	1.5
221.10126	0.7
223.11821	1.2
225.06166	0.9
227.11270	0.9
229.12936	1.0
237.13286	1.3
239.07561	0.8
241.12801	1.3
243.14236	0.7
247.08241	0.5
249.13280	0.6
251.11320	0.9
254.23108	0.5
255.14278	3.5
261.13266	0.6
263.11276	0.8
264.12015	2.0
265.12778	1.8
267.14374	0.7
273.16925	1.6
277.12766	1.4
281.12283	0.8
282.12875	1.1
283.13858	2.3
285.17047	0.7
289.16492	3.3
289.56018	0.5
291.14700	1.1
291.17963	6.7
295.13553	0.7
309.19046	6.5
313.16434	1.5
314.19498	1.0
315.17953	9.6
330.13345	0.5
332.20773	0.9
333.19083	100.0
334.19193	4.2
351.20111	9.2
356.20697	17.3
357.21066	1.1
548.16455	0.5
607.38458	82.2
608.38971	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	607.2548
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
55.05519	0.3
69.27779	1.7
79.05478	0.2
81.07049	0.3
88.30948	0.2
91.05476	0.3
105.06975	0.3
119.70131	0.2
131.08601	0.2
134.72208	0.2
144.07996	0.2
146.06007	0.2
167.07010	0.2
172.03802	0.2
177.04472	0.2
182.09850	0.2
183.67351	0.2
195.09178	0.3
204.06587	0.3
219.09254	0.2
232.03590	0.2
235.12257	0.2
237.10164	0.2
251.11884	0.2
263.11752	0.2
300.14871	0.2
324.15067	0.3
363.16583	0.2
373.14630	0.5
374.15701	0.3
375.16010	0.9
376.17111	0.3
377.17969	0.2
387.16290	0.6
388.16745	1.1
389.17679	2.5
390.18427	1.2
391.19388	1.2
401.13550	0.4
401.18155	0.5
402.14215	0.4
402.18967	1.1
403.15668	0.6
403.19559	4.1
404.20135	1.9
405.15878	0.2
405.20847	3.0
415.19708	0.3
416.15469	1.0
416.20786	0.4
417.16132	3.8
417.21136	2.2
418.17715	1.1
418.21710	0.8
419.22470	6.4
420.23215	1.2
429.16669	0.4
430.17371	0.9
431.18289	6.9
432.19052	3.6
432.24631	0.3
433.20013	3.6
434.21036	0.2
435.21588	0.3
443.18454	0.4
444.19455	0.4
445.20151	5.3
446.20981	8.0
447.21695	8.6
448.22784	1.0
459.17252	0.8
459.21909	1.9
460.18854	0.8
460.23114	0.5
461.19595	2.1
462.24182	0.6
463.20398	0.4
463.25269	0.7
473.19617	0.9
473.24020	0.7
474.20367	5.5
474.26526	0.3
475.20987	4.8
477.23361	0.9
478.23517	0.9
479.24670	0.3
487.21576	1.9
488.22067	0.4
490.23495	0.6
491.20044	2.9
501.23029	1.1
502.23062	0.2
503.23090	0.2
504.21481	0.5
505.22418	1.0
506.23209	0.5
519.24078	16.6
520.24432	1.4
529.22748	0.3
533.20636	0.2
547.23376	12.7
548.23962	0.9
551.26587	0.5
561.24634	0.3
575.22437	0.4
579.25970	6.1
580.26416	0.5
589.24292	0.3
607.25476	100.0
608.25763	8.1
608.35748	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.214
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23511	0.4
56.05017	1.9
66.22140	0.4
68.05021	0.9
69.03419	0.4
70.06591	55.3
71.42522	0.8
74.84908	0.4
86.06062	7.7
87.04478	0.5
89.07104	0.5
95.04942	0.5
96.08115	1.5
98.06043	1.5
98.09680	1.3
108.45040	0.4
114.05529	22.5
114.09167	14.8
114.09848	0.3
130.06522	3.0
135.04376	0.6
142.08630	100.0
143.09052	0.6
144.08101	2.1
158.06004	1.5
163.03903	2.9
164.04155	0.5
170.09610	0.8
172.07565	2.1
185.06076	0.5
186.07614	2.1
186.09109	0.8
186.29871	0.4
199.12338	3.2
200.07124	0.5
224.07167	0.5
227.11815	1.3
232.09686	1.3
240.80696	0.4
241.13327	1.0
243.15016	0.5
256.09802	1.0
260.09174	6.1
271.14395	2.1
285.15997	0.7
297.12329	1.1
299.13916	2.7
301.15454	1.6
313.15436	0.6
329.14969	10.0
341.14877	3.4
345.17914	0.5
369.14294	2.8
373.17590	7.6
401.17136	8.2
422.14490	1.1
491.20111	5.0
534.16779	0.5
535.22968	7.7
563.22345	72.6
564.22852	1.2
607.21283	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	605.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07068	1.7
67.02224	1.7
67.05494	2.6
81.07037	4.0
93.06968	1.9
95.08618	2.3
118.14874	1.8
121.42006	1.8
127.73573	1.7
146.32776	1.7
189.91443	1.8
190.38202	1.6
232.44479	1.8
234.86624	1.7
370.39874	1.9
402.04431	1.8
414.18491	2.1
415.19089	9.6
416.19910	3.2
429.20911	12.2
430.21469	5.6
431.22665	2.5
443.22232	6.1
444.23196	8.7
445.23923	6.4
458.25220	2.8
459.21014	3.8
459.26505	3.4
472.22427	3.5
473.23462	3.6
485.23575	2.5
487.24942	24.1
488.25946	2.6
503.24997	2.3
517.26556	2.9
545.25385	17.7
546.26086	5.0
605.27612	100.0
606.27350	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	605.4775
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	7.1
53.37152	3.4
55.01870	11.7
55.05507	32.8
57.03429	7.4
57.07074	54.9
57.37069	3.6
61.58461	3.5
65.03957	4.5
67.05505	74.8
69.07069	39.1
69.36904	34.0
71.05001	4.3
71.08634	38.4
79.05492	49.4
81.07056	94.0
83.04994	9.9
83.08627	26.6
85.06545	6.0
85.10175	21.8
91.05467	42.2
93.07038	35.3
95.04955	13.0
95.08607	62.9
95.45629	3.8
97.06512	21.2
97.10165	16.5
102.91281	3.3
105.07022	39.0
107.04943	19.7
107.08570	40.6
107.09082	3.4
109.06519	10.3
109.10165	28.0
111.08087	6.0
117.06998	10.6
117.31594	3.4
119.08597	39.2
121.06522	4.6
121.10137	18.3
123.08048	5.1
123.11738	15.1
125.09680	5.0
129.07031	5.0
131.08553	19.5
133.10124	27.7
135.08096	5.2
135.11713	9.1
137.09631	6.9
143.08575	6.2
145.10110	23.0
147.11694	21.1
147.12686	4.0
149.09621	30.7
151.11223	6.9
157.10127	9.1
159.11682	5.3
163.11165	9.2
165.12770	6.5
171.11655	4.9
180.20714	3.4
183.11778	5.6
189.11250	4.7
227.12794	7.8
229.19623	4.8
239.23775	8.6
257.18958	17.5
275.20068	100.0
293.21109	17.3
306.22278	4.4
313.27350	60.1
349.23645	41.0
412.24835	4.3
587.46716	44.8
605.40381	4.2
605.47961	48.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.4571
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05485	18.2
69.07049	19.7
71.53604	19.8
78.15205	16.1
81.07048	28.7
91.05479	35.7
93.07015	30.0
95.08575	20.4
105.06976	27.3
133.10141	24.0
145.10103	19.9
234.03987	16.4
275.20093	100.0
293.20996	23.1
383.31323	17.2
386.60233	16.0
411.11633	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02122	3.3
56.96548	11.5
57.03433	6.9
61.02931	5.8
69.03425	24.1
70.03711	4.1
71.49644	4.0
71.50013	5.1
73.02907	5.4
77.00959	3.5
81.03411	15.2
84.96084	4.1
85.02902	40.7
87.04433	5.2
91.03932	6.3
91.05476	4.3
94.20239	3.6
97.02885	37.2
98.97591	17.5
101.00896	10.7
107.04952	6.9
109.02874	7.2
115.02451	5.4
116.98601	15.3
119.01923	31.1
119.04923	8.0
127.02443	4.6
127.03911	11.3
128.98584	8.0
131.01907	21.7
133.03456	14.9
134.99635	8.2
135.04468	4.7
137.05966	74.2
142.01088	5.1
143.00127	4.7
143.01898	12.6
145.03473	29.2
145.04933	6.7
146.99635	6.0
147.04335	21.1
149.01102	3.9
155.01921	21.6
156.02660	9.3
157.03435	10.8
158.99696	4.8
160.02147	7.3
161.02965	15.3
161.05907	6.1
162.99243	4.2
167.07097	12.0
168.02742	7.6
170.99648	4.7
171.01375	3.5
171.05023	5.4
173.01521	5.3
173.02968	35.6
175.04465	8.4
177.00780	9.4
177.02412	5.2
177.03998	9.7
179.07082	9.1
181.03506	11.3
183.01260	4.5
183.05153	7.2
185.02975	15.5
187.01019	6.8
187.04512	10.9
189.00739	6.7
194.04169	4.2
195.05023	60.5
196.02164	8.7
197.02895	6.6
199.04477	8.8
203.04021	23.8
205.03464	6.1
210.03709	11.7
211.04533	6.3
213.06029	7.0
217.01823	5.9
217.03749	4.8
218.04202	5.3
219.01714	17.1
219.05038	90.9
221.03113	4.5
221.05043	75.8
221.07057	5.5
222.03735	9.1
223.04567	15.7
224.05234	4.4
225.06029	13.9
227.04099	5.1
228.04813	6.7
229.05429	4.9
231.05058	10.1
233.03220	5.8
234.03606	6.6
236.05231	10.2
237.02805	19.5
237.06055	99.0
243.07094	7.3
244.04289	81.8
245.05013	24.7
247.04556	16.8
249.06137	21.4
252.04784	6.1
255.07082	10.5
259.04529	9.1
260.07693	5.5
261.06149	12.5
262.02884	5.6
262.05368	8.6
264.04657	7.7
267.07095	15.8
271.02646	8.2
273.08282	6.0
275.06348	5.9
276.04694	6.2
279.03970	6.4
279.07083	22.5
283.06674	6.5
288.04553	6.8
291.07050	10.5
295.06665	11.1
297.08234	36.4
299.02423	9.2
305.05167	4.5
306.05447	4.6
307.06717	35.6
309.08176	13.4
314.03348	4.4
315.05688	4.3
321.04764	7.2
321.08374	12.9
323.06381	17.8
323.10031	5.6
325.07556	11.9
326.43286	4.9
327.09256	13.9
336.06815	42.7
337.07730	14.5
339.09122	16.2
343.05035	8.3
348.06857	57.7
349.07782	9.4
351.05469	15.1
351.09357	26.4
353.07053	6.5
355.08737	13.4
359.04617	7.6
361.10046	4.7
363.09192	17.6
366.07928	10.5
367.08990	19.2
369.10406	22.7
377.05783	7.4
381.06824	5.5
381.10446	50.1
383.08057	24.0
391.07300	11.1
395.08160	21.3
399.06546	8.0
399.11380	100.0
411.07614	45.0
413.08963	5.2
417.12479	46.8
425.09296	7.3
429.08713	5.6
440.13892	5.0
443.10345	37.7
445.11874	23.2
459.13113	11.0
485.11337	14.8
487.12927	7.1
517.13837	13.1
529.14270	6.3
545.13159	19.7
573.12842	15.7
575.13336	4.7
605.15387	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	604.3686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.4
55.01870	0.8
55.05494	2.9
56.96559	1.2
57.03442	0.9
61.02916	1.1
67.05511	4.4
67.05793	0.8
69.03423	7.6
69.07054	2.9
70.06570	1.9
71.04987	1.0
71.08636	11.0
71.50278	1.0
72.08140	2.8
73.02877	1.1
77.14775	0.7
77.89562	0.8
79.05483	2.8
81.03419	3.7
81.06602	0.9
81.07050	11.3
83.04973	0.9
83.08609	1.5
84.08138	1.6
85.02904	7.6
86.06065	21.3
86.09692	1.4
87.04459	1.5
91.05476	3.7
93.07044	2.5
95.04964	1.2
95.08604	4.8
95.17471	0.8
96.08122	4.0
97.02885	3.6
97.06517	2.1
98.06050	1.2
98.09684	6.6
99.04462	1.2
99.08082	11.8
99.61477	0.8
105.07047	3.9
107.08543	2.0
108.08122	3.8
108.86091	0.9
109.02869	5.0
109.06494	1.6
110.22288	0.8
116.10724	59.9
119.08581	3.5
121.10099	1.5
122.09631	2.0
123.11689	1.9
124.07581	1.5
126.09133	0.9
127.03912	4.9
129.06993	1.2
131.08606	0.8
133.10101	2.2
136.71751	0.7
137.06065	1.0
140.10684	1.9
142.08641	1.4
143.10643	2.4
145.04935	1.8
147.11699	7.2
154.15840	1.9
157.10127	2.5
158.24937	0.7
163.03889	1.0
163.07504	0.8
165.12735	2.6
165.25514	0.7
166.15895	2.6
175.11159	2.4
177.05432	1.8
178.16006	1.1
184.07364	3.4
193.12213	1.4
196.16922	5.7
209.08061	1.4
214.18007	100.0
229.14359	1.9
236.16360	0.9
243.12292	1.7
248.20222	1.1
255.16197	1.0
261.13266	4.3
264.23264	0.9
266.21155	1.6
267.09171	1.3
270.11020	1.2
282.24271	6.3
284.22092	3.9
308.22131	5.1
326.23221	7.5
344.24286	83.7
376.23273	8.1
401.48499	0.9
424.30435	1.2
442.31641	21.8
485.92679	0.8
506.29547	22.5
507.29001	1.0
604.18066	1.6
604.37305	12.6
619.42444	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.4252
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08279	3.5
53.03941	6.2
55.01862	13.8
55.05509	41.2
56.74544	3.1
57.03421	9.8
57.07058	11.7
67.05186	5.2
67.05502	67.1
69.07072	29.9
71.08620	29.2
79.05077	5.6
79.05489	71.8
81.03415	9.5
81.07052	100.0
83.04958	15.9
83.08622	30.2
85.06543	4.7
85.10172	5.7
91.05479	55.6
93.07044	61.0
95.04971	29.2
95.08057	5.7
95.08598	49.4
97.06539	8.6
97.10167	24.2
99.08074	17.8
105.07018	37.6
107.04977	17.2
107.08588	55.0
109.06489	8.9
109.10096	19.9
109.46277	3.5
111.04399	5.2
111.08068	8.1
113.09644	4.2
115.18602	4.0
117.06997	16.2
119.08585	40.0
121.06498	13.1
121.10130	43.7
123.08064	6.1
123.11660	5.4
125.09586	17.7
129.06985	9.2
131.08548	20.3
133.06473	3.8
133.10138	23.9
135.08055	11.1
135.11673	34.4
137.09645	5.0
141.06912	4.0
141.09052	4.0
143.08601	7.9
145.10153	18.7
147.08008	11.8
147.11644	9.2
147.70459	4.0
149.09610	9.7
149.13205	11.0
151.11201	8.9
153.09077	5.8
157.10112	9.9
159.11664	10.9
161.09717	7.5
161.13211	14.4
161.69688	3.7
163.11140	12.0
165.09195	4.5
165.12788	5.7
171.11661	6.5
173.13179	5.1
175.11157	4.7
177.12692	9.0
179.14302	90.0
183.11661	6.5
189.11243	10.6
191.10646	5.9
193.12381	4.9
207.17476	7.1
213.16324	4.3
217.15945	3.9
218.07819	3.6
223.13232	7.9
227.12885	5.2
241.19281	4.2
249.14764	4.2
255.17542	6.9
273.18466	43.6
275.20114	24.1
277.21603	71.1
291.19516	94.9
293.21014	16.9
313.27182	7.2
421.48041	4.0
508.40680	3.9
585.44385	6.4
603.45990	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	603.4254
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13669	3.4
51.49975	4.1
53.03949	4.5
55.01872	6.8
55.05513	32.2
67.05503	64.4
69.03380	4.6
69.07069	31.0
71.04980	5.8
71.51688	6.6
75.95301	3.2
79.05492	46.9
79.07714	4.0
81.03413	6.5
81.07059	80.3
83.04997	9.9
83.08620	13.9
85.06545	5.9
86.09715	7.5
91.05480	50.1
93.07043	51.3
95.04962	9.6
95.08608	35.6
97.06538	12.9
97.10155	10.1
105.07026	47.3
107.04915	6.9
107.08603	35.4
109.06529	12.8
109.10161	20.7
117.06988	19.2
119.08581	42.3
121.06451	4.6
121.10122	19.8
123.08020	6.3
123.11732	4.6
125.09639	8.1
129.07005	5.2
131.08546	25.8
133.10147	38.4
135.08058	8.2
135.11687	11.6
143.08601	6.4
145.10135	19.4
147.11662	22.8
149.09608	10.1
149.13362	4.0
151.11195	4.8
157.10141	9.6
159.11688	19.6
161.13280	10.5
163.11137	7.5
169.10100	4.9
173.13300	10.1
177.12744	3.8
183.11693	6.7
184.07292	10.7
189.11234	6.9
199.15047	3.9
207.13640	5.1
235.16795	7.8
239.17984	4.6
256.51926	4.6
257.19034	11.2
263.20184	4.7
275.20081	100.0
277.21643	5.1
287.05548	7.1
291.19528	5.5
291.46558	4.1
293.21033	16.3
567.40259	5.0
585.40784	6.4
620.62170	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	603.4253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.7
55.01860	7.6
55.05509	29.3
57.03432	5.5
58.39215	2.8
59.86071	3.2
65.03954	4.7
66.98146	3.0
67.05499	62.3
68.53954	2.9
69.03415	4.1
69.07067	24.4
69.51679	24.8
79.05489	55.6
81.03383	6.5
81.07050	74.9
83.04951	10.2
83.08600	16.9
84.60152	3.2
91.05476	55.4
93.07045	53.0
95.04952	10.8
95.08610	39.6
97.06518	11.5
97.10172	12.8
97.38986	3.1
99.08057	4.2
103.05431	3.9
105.07025	61.6
107.04949	7.8
107.08588	40.5
109.06519	7.7
109.10146	25.5
111.08074	5.7
117.07004	16.9
119.08580	55.8
121.06516	6.0
121.10149	18.6
123.08064	6.0
123.11679	6.7
125.09614	9.1
129.07016	7.6
131.08597	22.8
133.10118	44.5
135.08031	4.4
135.11673	10.7
137.09538	4.3
137.49126	2.8
141.06918	4.6
143.08539	10.7
145.10112	19.6
147.10690	3.5
147.11707	22.4
149.09618	12.6
149.13292	8.9
151.11188	4.8
153.03885	3.3
155.08580	3.9
157.10078	8.1
159.11684	11.6
161.13203	9.3
163.11176	9.1
165.09143	3.6
171.11612	10.9
173.13220	10.8
175.11174	5.9
175.14851	3.9
177.12718	9.3
184.07309	6.3
187.14793	3.8
189.11160	5.1
189.12706	3.7
195.13824	3.7
197.13306	6.0
199.14760	4.2
229.19511	5.9
235.17001	4.3
239.17976	7.9
247.20490	4.2
251.32668	3.1
257.18875	6.0
275.20071	100.0
277.21735	4.5
291.19571	7.4
293.20981	15.1
380.54651	3.4
508.49142	3.6
545.38849	3.8
585.41071	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	603.3157
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01604	2.3
53.03943	10.1
55.01865	13.3
55.05506	38.8
57.03437	22.2
59.36071	2.0
63.68093	1.9
65.90813	2.0
67.05503	37.8
69.03426	10.9
69.07058	14.5
70.08189	9.7
71.01366	2.6
71.04998	9.8
79.05491	52.7
81.03416	78.0
81.07046	48.6
83.04979	19.1
83.08620	28.6
85.02905	33.8
85.06516	3.6
87.15009	2.0
91.05468	62.0
93.03405	2.7
93.07042	36.3
95.01317	2.7
95.04379	4.0
95.04964	59.2
95.08612	22.7
97.02875	8.6
97.06540	6.9
97.10165	16.1
99.08077	2.8
103.05466	7.6
105.07024	41.4
107.04949	23.7
107.08573	18.3
109.02869	20.0
109.06505	10.5
109.10176	10.0
111.04434	14.5
111.08091	8.7
113.06033	3.1
115.05476	12.4
117.07017	22.8
119.04929	8.9
119.08591	22.3
121.02843	10.1
121.06523	12.5
121.10124	16.1
123.04424	9.5
123.08060	6.2
123.11667	3.4
125.02380	2.1
125.09634	15.2
127.03907	2.4
128.06184	5.8
129.06998	22.8
131.04901	17.4
131.08525	21.4
133.06506	18.5
133.10184	12.5
135.04390	5.7
135.08044	9.2
135.11694	4.3
137.02351	5.7
137.05972	5.7
137.09599	3.3
141.07004	7.8
142.07806	3.3
143.08565	9.5
144.05713	3.9
145.06506	24.0
145.10098	11.4
147.04425	14.1
147.08057	9.2
147.11703	14.7
149.05997	8.6
149.09663	9.8
153.01811	3.3
153.12798	2.7
155.08583	6.2
157.06543	10.6
157.10123	17.5
159.04424	2.7
159.08041	11.7
159.11772	3.7
160.05211	5.3
161.05969	25.0
161.09608	5.0
163.03868	3.5
163.11139	15.5
165.05508	2.5
165.06873	2.9
165.09102	4.9
165.12811	2.1
167.07097	2.8
167.08539	5.7
169.06450	2.3
169.10155	5.8
171.04387	3.2
171.08023	10.3
171.11609	2.2
173.05992	43.2
173.09656	5.0
174.06732	7.5
175.03926	6.0
175.07533	6.9
175.11140	14.0
177.05492	2.6
181.06435	3.8
181.10138	5.2
181.12238	3.2
183.08089	6.2
184.08806	2.4
184.72028	2.1
185.06000	6.4
185.09624	3.1
186.06738	3.2
187.07550	16.8
187.11259	2.2
189.05455	30.2
189.09146	4.0
189.11160	4.6
191.10626	5.3
193.12222	34.0
195.11667	2.4
195.51816	2.1
197.09642	3.2
199.07541	5.0
199.11191	2.8
200.08432	2.5
201.05518	2.7
201.09142	3.9
203.07034	5.5
203.08858	2.2
203.10727	3.6
205.12164	2.4
209.13321	2.9
211.07597	3.9
211.11273	2.7
211.13268	43.8
213.09109	3.5
213.12762	3.3
227.12802	6.9
231.13902	2.9
237.12758	5.9
241.12354	2.5
245.15488	4.6
247.13451	2.4
255.13760	13.9
257.15332	7.2
259.13568	2.3
265.12213	3.6
267.15952	9.0
269.10602	8.2
271.13293	3.8
273.14856	30.8
274.65494	2.1
275.17227	2.3
283.13113	16.7
285.11960	3.2
285.14700	7.6
285.17371	17.2
287.05493	89.5
287.11673	3.1
288.05936	4.2
289.14209	9.8
291.15982	2.6
301.14301	100.0
303.16025	6.9
319.15323	16.0
339.16101	3.1
341.17462	2.8
357.16995	4.6
359.18591	3.9
375.18115	21.8
393.19046	7.5
429.12158	3.5
447.13297	3.6
459.26669	2.3
465.26660	2.8
475.24664	3.2
493.25784	6.3
511.26813	6.7
529.27808	3.0
539.29688	2.6
555.29944	2.9
557.30658	2.5
567.29266	15.0
573.30646	22.9
585.21387	3.8
585.30542	75.5
603.17352	3.9
603.31537	90.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.0
57.03440	0.5
57.07076	5.8
58.06591	1.9
65.03939	0.9
67.05505	1.3
69.07059	0.8
70.06593	20.9
70.69131	1.9
71.08632	2.5
72.08148	0.7
72.30258	0.6
79.05512	1.0
79.66586	0.6
81.03426	0.7
81.07049	1.1
84.08156	0.7
88.07627	21.1
91.05486	0.9
93.07038	0.9
95.08607	0.7
97.06566	0.6
102.09177	15.1
105.07005	0.9
119.08598	0.7
120.08112	0.7
120.22213	0.5
121.10165	0.8
129.66705	0.5
131.04974	0.6
132.56645	0.6
139.81613	0.5
147.04440	1.1
149.02338	37.1
156.17474	1.3
163.03885	1.5
164.04279	0.6
171.66217	0.5
175.03877	1.4
193.04961	46.5
194.05353	0.7
200.20097	54.7
201.20483	1.3
219.06578	1.2
225.05472	1.0
237.07578	11.5
237.09955	0.6
244.22821	1.3
269.04514	1.3
287.05289	0.8
297.03973	2.6
313.07144	2.1
341.06537	9.6
359.07578	6.2
385.09140	18.0
429.11813	33.6
430.51669	0.6
468.79144	0.7
497.77957	0.7
540.25647	0.7
584.28699	1.6
602.29590	100.0
603.29840	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	601.4259
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	3.0
53.03935	8.0
55.01865	5.2
55.05510	30.7
56.05865	2.8
57.03419	5.1
57.07066	14.4
59.04991	4.8
65.03940	6.3
67.05508	50.8
69.03415	18.0
69.07063	22.9
70.65228	10.1
71.05009	3.5
71.41068	2.8
74.52533	2.7
76.22623	3.1
79.05497	53.2
81.03438	5.6
81.07050	69.9
83.04988	23.9
83.08606	19.7
85.06532	8.4
85.58535	2.5
87.04463	7.4
91.05476	65.0
93.07037	89.2
94.07406	4.0
95.04959	35.2
95.08595	50.1
97.06538	14.3
97.10154	6.4
103.05466	3.5
105.07029	98.1
106.07365	5.5
107.04943	11.0
107.08585	77.7
108.08847	3.4
109.06509	29.3
109.10149	34.0
111.08063	5.0
113.09592	5.1
115.05408	7.3
117.07008	24.3
119.08572	100.0
120.08901	6.8
121.06501	15.3
121.10138	73.1
121.10947	5.8
122.10475	4.7
123.08066	26.0
123.11709	9.4
124.08395	4.8
125.06000	10.4
125.09639	14.7
128.06230	12.6
129.07007	24.1
130.07817	7.9
131.08559	57.3
132.09036	4.1
133.06496	8.6
133.10129	64.1
135.08052	32.2
135.11678	20.9
137.09607	16.3
139.11205	3.3
141.06941	6.0
142.07782	20.6
143.08568	53.9
144.09201	6.7
145.06491	3.5
145.10123	78.2
146.10492	7.9
147.08003	26.9
147.11703	22.1
148.08426	4.1
149.09598	25.2
149.13289	4.0
151.07489	15.2
151.11168	5.1
153.06972	3.3
154.07748	3.8
155.08546	18.7
156.09315	12.3
157.10126	64.4
158.10686	6.8
159.08058	14.3
159.11682	45.4
160.12056	7.3
161.09593	19.1
161.13277	15.5
163.11183	19.3
165.07010	5.7
165.09111	35.0
165.12813	3.1
166.09439	3.1
167.08556	8.0
167.10669	40.6
167.11955	4.5
168.09357	7.5
169.10118	24.8
170.10799	8.6
171.11682	28.5
172.12033	6.0
173.09636	8.9
173.13266	13.1
175.11214	11.4
175.14841	6.2
176.11586	4.4
177.12747	8.4
179.08549	10.9
180.09187	6.6
181.10118	12.5
181.12245	16.3
182.10918	6.4
183.11699	28.9
184.12398	8.4
185.09589	7.5
185.13264	19.8
187.11180	7.5
187.14816	9.3
189.12733	11.7
190.13509	3.6
191.14299	9.0
193.10143	11.1
193.12257	11.3
194.10886	5.7
195.11734	15.8
195.24059	3.3
196.12288	7.5
197.09563	3.5
197.13263	22.2
198.13853	4.3
199.11282	4.9
199.14787	13.4
201.12683	6.4
201.16388	4.5
203.14311	12.6
204.14754	5.5
206.10785	3.9
207.11647	11.4
207.13846	8.4
208.12456	6.5
208.14320	3.3
209.13223	16.1
209.15346	7.8
210.13741	7.1
211.14772	13.6
212.15372	4.4
213.12769	6.2
213.16414	5.1
214.13239	3.8
215.14340	4.6
217.15868	6.9
218.10565	3.1
219.11633	5.2
220.12508	5.0
221.13293	12.4
221.15323	81.5
221.17361	5.8
222.13745	6.2
222.15715	15.2
223.14868	15.0
225.12769	6.0
225.16446	10.0
229.15811	4.5
232.12505	5.1
233.13261	6.2
233.15387	24.2
234.15883	6.2
235.14813	9.8
235.17027	6.0
237.12770	4.4
237.14690	6.3
237.16606	6.2
239.14209	5.2
245.13286	5.0
247.14697	7.1
247.16982	5.4
249.16457	5.9
250.17079	4.4
251.18030	5.9
253.15863	3.7
255.17361	6.2
256.17749	6.6
257.19214	6.1
260.15344	4.7
261.16373	6.1
263.18118	4.7
265.19589	5.6
269.19113	7.8
273.18579	17.0
274.19232	5.3
275.20230	19.2
277.19489	4.7
281.18869	4.2
283.20538	5.6
286.19296	5.7
287.20184	14.2
291.19528	36.3
293.21432	5.9
295.20578	4.2
299.20175	4.8
300.20691	6.1
301.21643	10.3
303.19577	8.7
304.19794	7.5
311.20016	5.9
313.21738	4.8
325.21652	4.9
349.25049	6.2
352.24155	14.9
353.24240	23.0
361.25168	4.0
365.24655	6.5
366.25253	4.2
367.26566	3.8
375.26477	4.1
377.68250	3.5
378.25107	5.5
379.26343	4.6
409.36536	3.1
455.31625	4.0
503.34735	6.4
508.34729	5.7
521.35718	10.8
565.39612	7.4
583.41431	14.6
601.33307	4.2
601.42224	51.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4247
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	2.7
53.03938	5.1
53.31206	2.1
55.01870	4.5
55.05510	24.1
57.07063	10.3
59.04990	3.4
61.15220	2.3
64.54387	2.2
65.03934	4.1
67.05503	39.7
69.03429	16.6
69.07067	23.2
69.33609	10.9
69.34032	10.6
71.05006	3.5
77.03941	2.9
79.05491	39.4
81.06597	3.3
81.07054	51.4
83.04986	21.1
83.08606	15.2
85.06548	6.9
87.04455	4.1
91.05479	57.8
93.07039	85.1
94.07379	3.9
95.04961	25.0
95.08604	42.6
97.06536	15.8
97.10188	2.4
103.05436	5.5
105.04497	3.7
105.07030	100.0
107.04943	3.6
107.08591	78.2
109.06508	16.6
109.10155	40.4
111.08071	7.7
113.09624	5.2
115.05421	4.6
117.07022	21.6
119.08574	97.2
120.08895	3.1
121.06496	9.7
121.10142	89.3
122.10503	4.3
123.08071	20.2
123.11702	9.9
125.09615	10.6
128.06213	10.9
129.07010	22.1
130.07768	8.9
131.08559	47.7
133.06490	4.8
133.10124	62.0
135.08052	18.8
135.11693	23.3
137.09592	10.3
139.11169	5.5
141.06989	9.9
142.07791	21.3
143.08559	41.6
144.09337	11.4
145.10114	78.7
146.07262	2.8
146.10495	4.4
147.08012	11.6
147.11679	22.8
149.09628	25.3
149.13240	6.7
151.07515	7.6
153.07028	2.3
153.09103	2.7
154.07719	3.3
155.07445	2.6
155.08527	17.5
155.10600	5.8
156.09338	20.9
157.10129	59.2
158.10759	9.0
159.08044	14.5
159.11690	44.9
160.08679	3.2
161.09648	14.9
161.13239	11.0
163.11153	12.9
165.06984	6.7
165.09102	9.0
166.07698	3.9
167.08548	7.3
167.09248	3.4
167.10670	59.3
168.09303	9.1
169.10112	33.6
170.10811	9.1
171.08052	3.3
171.11687	37.4
172.08893	2.7
172.12343	4.1
173.09601	9.3
173.13231	25.6
174.10042	2.2
175.11195	9.7
175.14821	18.7
176.11501	2.5
177.12701	4.2
178.07759	2.7
179.08543	9.5
180.09236	5.1
181.10127	13.9
181.12233	4.1
182.10837	7.3
183.11696	30.4
184.12152	3.6
185.09622	5.5
185.13255	21.7
186.13860	5.0
187.11145	7.8
187.14873	13.7
189.12761	10.6
190.71786	2.7
191.14340	9.3
193.10127	15.0
194.10899	9.7
195.11685	23.6
196.12308	9.8
197.13240	29.4
198.13708	4.8
199.11179	6.7
199.14798	12.8
201.12781	6.2
201.16382	6.5
203.14330	11.2
205.10031	3.2
206.10863	8.6
207.11665	12.0
207.13719	5.4
208.12343	9.2
209.13239	26.9
210.13959	6.4
211.11197	5.3
211.14806	17.7
213.12735	5.6
213.16290	3.9
215.14224	6.3
217.15753	3.9
219.11719	7.9
220.12364	7.5
221.13216	15.1
221.15350	25.4
222.13887	4.1
223.14821	19.9
224.15533	3.8
225.12750	4.2
225.16385	10.6
231.11661	3.0
232.12453	3.8
233.13158	7.6
233.15358	31.4
234.10356	2.6
234.13879	4.9
234.15990	6.5
235.14806	12.4
236.15508	4.7
237.16336	6.2
239.14316	3.0
239.17839	3.1
241.15953	3.9
245.13243	6.9
246.13956	3.4
247.14822	6.5
249.16428	5.5
251.17891	6.6
255.17516	6.6
257.13205	3.7
257.19067	3.5
258.13751	3.1
259.14877	5.4
260.15289	2.7
261.16382	8.3
263.17938	3.3
265.19519	6.5
269.18988	10.7
273.18622	5.1
275.20035	7.6
277.15881	2.8
277.19360	4.5
281.18903	7.1
283.20547	7.2
287.17615	4.3
295.20490	5.5
299.20099	4.6
321.22223	2.5
336.91394	2.3
349.25055	3.4
361.25186	2.7
377.24817	2.6
430.28381	3.1
494.89835	2.3
565.40106	5.4
583.41614	12.8
601.42328	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	601.4246
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.1
55.05503	11.6
57.07074	9.6
60.65556	3.3
62.19480	2.9
64.35863	3.4
65.43545	3.1
67.05504	15.8
69.03420	11.6
69.07063	10.4
69.84753	19.0
79.05504	22.4
81.07053	34.0
82.70081	3.3
83.04973	5.4
83.08611	3.8
91.05478	33.0
93.07043	51.1
95.04967	14.9
95.08603	26.7
97.06528	7.6
98.20795	2.9
105.07021	45.8
106.07334	5.2
107.08595	30.0
109.06538	15.7
109.10137	10.0
111.08063	5.1
115.05498	3.9
117.07016	9.6
119.08591	53.8
121.06467	6.2
121.10146	28.4
123.08038	25.3
123.11669	3.6
125.05963	7.0
128.06186	5.0
129.07016	13.3
130.07863	5.4
131.08563	29.5
133.06493	3.6
133.10127	29.1
135.08034	15.5
135.11699	7.3
137.09615	16.3
141.06952	4.2
142.07774	11.5
143.08559	17.5
144.09081	3.1
145.10139	39.5
146.10455	4.1
147.08037	27.9
147.11682	10.3
148.08389	3.7
149.09642	10.6
151.07550	12.3
155.08531	7.9
156.09303	7.8
157.10141	27.1
158.10835	5.9
159.11676	24.2
161.09572	7.3
161.13248	11.1
163.11189	13.0
165.06963	3.3
165.09114	58.5
165.10373	6.0
167.08510	4.3
169.10106	16.1
170.10585	4.0
171.11702	14.6
172.12086	3.3
173.13303	5.5
175.11211	11.7
175.14777	3.6
175.81837	3.0
179.08546	4.7
181.10188	4.3
181.12247	14.1
183.11734	9.4
185.13269	8.9
187.11180	3.8
187.14774	8.0
189.12750	7.1
193.10176	5.4
193.12140	3.6
194.11052	3.3
195.11746	9.2
197.13272	12.2
199.11139	5.8
199.14754	4.5
201.12781	6.3
203.14314	21.3
207.11702	7.6
207.13747	8.7
208.12494	4.6
208.14532	4.3
209.13269	8.4
210.13655	3.4
211.14830	4.2
221.13397	5.1
221.15373	100.0
222.15778	16.9
223.14796	7.2
234.16116	4.9
235.16618	4.6
237.16283	3.7
247.16986	6.0
249.16231	5.3
253.15916	3.7
265.19427	4.7
271.16864	3.6
275.20151	6.4
286.19330	5.9
287.20053	7.4
299.20084	4.8
300.20572	6.7
301.21518	4.9
311.20111	3.6
312.20874	5.2
352.23773	6.7
367.26459	4.9
382.41977	3.4
426.27191	5.7
432.95065	3.6
440.28998	7.7
441.29611	9.6
491.35303	8.9
509.36282	5.1
521.35883	4.9
583.41229	9.4
597.12207	3.2
601.42267	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	601.4243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.6
55.05498	13.1
57.03439	2.6
57.07070	16.4
59.05000	3.5
63.80936	2.8
65.03944	4.1
67.05499	24.5
69.03423	10.6
69.07063	9.6
71.08629	4.3
71.51450	3.3
71.51852	5.2
79.05492	21.7
81.07050	33.8
83.04972	4.5
83.08608	11.4
85.10163	2.8
91.05473	26.6
93.07040	45.5
95.04969	16.5
95.08587	28.1
95.83098	3.3
97.06543	6.0
103.05470	3.1
105.07025	48.9
107.04946	8.0
107.08595	27.4
109.06513	13.4
109.10128	13.6
111.08060	5.0
115.05438	3.5
117.07009	12.5
119.08572	44.0
121.06488	12.8
121.10136	26.0
123.08081	20.6
123.11652	4.4
124.99979	3.2
125.05987	3.9
128.06175	5.3
129.06999	8.7
131.08560	22.4
132.08939	2.7
133.06487	5.1
133.10120	28.1
134.10544	3.3
135.08049	11.2
135.11646	8.5
137.09579	14.1
139.11154	3.2
142.07736	5.0
143.08546	19.9
144.09268	6.3
145.06448	3.6
145.10114	36.8
147.08026	28.3
147.11653	11.2
149.09592	8.7
151.07515	11.1
151.11191	2.8
155.08543	8.7
156.09341	7.1
157.10126	25.0
159.08063	5.1
159.11703	24.5
161.09572	8.2
161.13286	5.0
163.11174	12.3
164.07043	8.9
165.07179	3.3
165.07721	5.0
165.09096	52.0
166.09334	2.9
169.10123	14.6
170.10912	3.9
171.11662	16.6
173.09546	4.5
173.13234	10.2
175.11208	5.5
177.12691	4.7
179.08560	6.2
181.10097	6.4
181.12207	9.8
182.10835	3.0
183.11690	14.6
185.13255	10.3
187.14888	5.1
189.12744	10.5
191.10580	4.9
193.12250	4.8
195.11674	6.1
197.13246	6.6
199.11098	2.8
199.14954	4.6
201.12729	3.6
203.14255	16.8
204.14662	2.8
207.11894	5.3
207.13861	8.0
208.14511	3.7
209.13260	7.4
210.14082	6.3
211.14757	4.0
215.14223	3.6
221.13205	6.1
221.15358	100.0
222.15718	9.9
223.14636	4.1
227.14445	4.7
234.16119	6.1
235.16754	4.3
239.17929	4.6
247.16977	8.0
248.17381	4.8
262.04660	6.4
263.05270	3.3
271.16849	3.2
273.18533	3.8
275.19955	4.1
286.19278	6.0
287.20084	7.0
291.19522	4.5
299.20016	5.8
300.20596	7.6
301.21426	3.5
326.21799	4.1
352.23962	5.2
353.24387	5.2
367.26111	5.8
420.29721	3.7
421.30829	3.0
440.29681	4.4
441.29453	7.1
491.35052	13.0
509.36127	6.6
521.35846	11.2
583.41107	10.7
601.34119	3.6
601.42627	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	601.4239
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79329	1.2
52.90839	1.1
53.03925	2.5
55.05503	5.8
57.07068	6.8
59.04998	3.4
65.03907	1.3
67.05497	11.9
69.03432	8.1
69.07059	5.6
70.96353	3.5
79.05494	12.7
81.03385	1.4
81.07050	17.8
83.04979	2.8
83.08605	1.7
85.06538	4.7
87.37204	1.0
91.05475	21.1
93.07045	33.3
94.07374	1.5
95.04961	8.6
95.08612	18.5
97.06539	3.7
103.05471	2.1
105.07029	38.8
106.07331	1.3
107.08594	17.8
109.02848	1.9
109.06506	9.5
109.10145	7.8
111.08099	2.7
115.05484	1.4
117.07013	9.7
119.08577	39.5
120.08970	1.6
121.06477	3.3
121.10143	21.2
123.08068	14.9
123.11699	2.4
125.05996	3.7
128.06219	2.3
129.06972	6.0
130.07785	2.4
131.08553	16.6
133.06500	2.4
133.10118	18.4
135.08061	12.0
135.11693	6.5
136.12041	1.2
137.09628	9.6
139.07512	1.6
141.06956	1.9
142.07748	6.3
143.08556	13.4
144.09309	4.0
145.10115	24.5
146.10487	2.0
147.08020	21.8
147.11641	6.2
149.09634	3.9
149.13245	1.3
151.07539	13.8
151.11166	2.0
154.07756	1.6
155.08563	5.4
156.09338	6.3
157.10121	18.6
158.10822	2.1
159.08054	2.8
159.11679	15.2
160.12358	1.1
160.97798	1.1
161.09644	5.5
161.13232	5.1
163.11163	7.2
165.09105	37.2
166.09457	2.1
167.08542	2.1
168.09329	1.8
169.10124	8.2
170.10716	2.2
171.11684	10.9
172.12128	1.2
173.09622	2.7
173.13260	5.6
174.13632	1.3
175.11169	3.4
175.14830	5.3
176.11421	1.2
177.12796	1.2
179.08540	2.7
179.10515	1.4
179.97868	1.1
180.09355	1.2
181.10103	4.2
181.12233	9.5
182.10876	3.8
183.11687	8.5
184.12071	2.0
185.09587	1.6
185.13210	7.0
187.11131	2.3
187.14804	6.1
189.12738	3.5
191.10727	1.2
191.14235	2.7
193.10191	2.4
193.12085	1.3
194.10869	2.2
194.12518	1.3
195.11679	5.6
195.13853	2.0
196.12466	2.7
197.13295	6.4
199.11197	1.8
199.14923	1.6
201.12718	2.0
203.14284	12.1
206.11078	1.3
207.11713	3.2
207.13792	6.4
209.13246	4.8
209.15274	2.5
210.13965	1.8
211.14771	3.5
213.12660	2.2
213.16322	1.8
221.13448	4.5
221.15355	100.0
222.15750	4.6
223.14825	3.5
225.16414	1.5
234.16144	2.7
235.14725	1.6
237.12819	1.3
237.16418	2.6
239.14185	1.2
239.18010	1.3
241.15814	1.3
243.17436	1.2
247.14763	1.3
247.16969	4.4
249.16437	1.5
253.15874	1.4
265.19458	2.2
275.19998	1.8
283.20505	1.8
286.19324	3.4
287.20126	8.1
291.19540	1.5
297.21957	1.7
299.20078	2.5
300.20721	4.8
301.21753	5.8
311.20013	1.7
312.20618	1.7
313.21320	1.7
320.20490	1.2
322.05920	1.2
325.21381	1.6
326.22113	1.7
341.24139	1.3
352.23828	2.4
353.24234	2.6
365.24753	1.8
366.25214	1.7
367.26413	8.5
375.26633	2.3
392.26584	1.3
393.27829	2.6
421.30963	2.4
440.29279	2.4
441.29605	4.5
491.35049	11.6
509.35904	4.4
521.35712	4.0
583.41345	12.3
601.42426	35.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4237
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02209	3.7
51.35796	3.8
51.39668	4.1
54.13880	4.4
55.05501	11.5
57.07064	9.8
67.05492	13.3
69.07066	6.1
77.31812	3.5
79.05479	9.6
81.07075	21.8
83.08646	4.1
85.06576	4.4
91.05492	21.3
93.07032	30.4
95.04974	8.5
95.08605	17.9
97.06560	6.9
98.20805	10.7
98.21494	14.4
99.09931	4.2
105.07013	26.5
107.08575	27.3
109.06528	8.9
109.10168	8.8
117.07031	5.9
119.08566	34.5
121.06529	4.3
121.10127	16.8
123.08022	12.5
129.07028	6.5
131.08557	10.0
133.10126	22.1
135.08080	6.1
135.11655	5.2
136.84764	4.2
137.09599	11.7
141.06946	4.2
142.07820	7.3
143.08614	9.6
145.10153	22.3
147.08047	11.9
147.11642	4.5
151.07533	7.9
157.10107	16.4
159.11630	11.7
163.11191	6.4
165.09128	34.2
169.10054	6.7
171.11694	11.3
175.11143	4.4
175.14847	4.3
181.12215	8.6
193.10143	7.1
195.11703	7.2
203.14302	15.7
207.11826	4.8
207.13678	6.1
208.14520	4.2
209.13257	6.0
211.14590	4.8
221.13446	5.0
221.15361	100.0
221.17386	8.2
222.15776	4.7
247.14763	4.8
352.23950	6.0
353.24271	9.2
491.86044	5.5
500.56537	5.8
521.35535	13.2
583.41199	6.2
601.42535	38.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4088
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.4
55.01871	8.1
55.05243	1.5
55.05506	24.0
57.03429	2.2
57.07058	2.6
59.04998	1.4
63.40461	0.9
64.14410	0.9
65.03915	1.7
66.92296	0.9
67.05503	26.7
69.03420	4.1
69.07072	11.3
69.33776	9.4
71.04985	2.3
71.08620	1.0
79.05491	29.9
81.03423	6.0
81.07053	60.4
83.04971	11.4
83.08617	12.9
85.02885	0.9
85.06528	2.0
86.43864	0.8
89.06036	1.0
91.05474	22.5
91.31078	0.9
91.44229	0.8
93.07040	27.5
95.04961	13.6
95.08605	18.0
97.06519	6.7
97.10165	18.8
99.08032	1.0
103.05486	0.9
105.07027	23.9
107.04947	10.0
107.08589	23.0
109.06516	11.7
109.10146	10.0
111.04439	6.7
111.08087	5.0
117.07019	13.8
119.04946	1.2
119.08585	20.7
121.06477	8.7
121.10137	13.9
123.08062	14.6
123.11680	2.3
125.05981	1.1
125.09624	16.2
128.06163	1.4
129.06989	5.4
131.04878	0.9
131.08554	17.4
133.06465	3.4
133.10121	13.4
135.08035	9.4
135.11662	7.7
137.09595	4.1
139.11150	1.9
142.07755	1.7
143.08546	7.1
143.10689	1.1
145.06503	1.9
145.09065	1.6
145.10121	21.1
147.08049	13.4
147.11693	8.1
149.09584	8.0
149.13257	2.4
151.07529	1.4
151.11162	2.7
153.09097	6.2
153.12730	3.3
155.06078	1.0
155.08562	2.7
157.10144	6.9
159.08031	3.6
159.11687	10.1
161.09584	8.0
161.13240	2.5
163.10016	1.4
163.11185	11.6
165.09119	7.3
165.12675	1.0
169.10129	4.4
171.10315	1.0
171.11653	5.0
173.09625	4.3
173.13240	4.3
175.11191	2.8
175.14806	1.5
177.09010	1.1
177.12720	2.2
181.09999	1.3
181.12234	4.9
183.11647	2.9
185.09619	1.2
185.13185	3.3
187.11148	2.6
189.11223	14.2
189.12756	1.8
191.10620	4.8
191.14313	1.4
195.11717	1.0
197.13196	3.3
199.11250	1.1
199.14888	1.2
201.12802	1.4
203.14281	2.1
205.12270	1.9
207.13789	2.3
209.13254	1.1
211.14922	1.1
213.12730	1.2
213.16373	1.6
215.14464	1.1
219.13736	1.6
221.15334	10.0
223.13287	5.1
227.12697	5.7
227.17851	2.5
231.17361	1.0
233.15422	1.5
235.81784	1.0
239.17943	1.4
245.18919	1.9
247.20518	1.8
249.14822	2.4
249.18661	1.3
255.17381	4.4
257.19040	9.9
263.20093	1.2
271.13269	1.6
273.18488	28.0
275.20062	44.2
291.19519	100.0
293.21091	19.3
309.20645	5.7
314.92978	1.1
326.83444	1.1
346.99997	1.0
397.19440	0.9
409.27469	1.3
427.28052	1.2
544.33765	1.0
547.37579	2.1
564.80670	1.0
565.38739	3.9
583.40442	5.9
601.41522	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	601.4085
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28249	1.8
53.03934	5.7
53.42421	2.0
53.94136	2.4
55.01864	7.3
55.05507	22.6
57.03415	3.5
57.07074	2.7
67.05504	27.6
69.03427	5.5
69.07079	12.7
70.59065	6.9
71.04988	3.6
79.05488	32.8
81.03419	5.0
81.06594	3.7
81.07053	57.5
83.04976	6.6
83.08617	15.5
85.02902	2.2
85.06542	2.4
87.04443	2.0
91.05483	29.2
93.07042	29.8
95.04969	25.9
95.08595	19.3
97.06521	6.9
97.10170	10.8
98.20764	2.2
98.21317	3.6
103.05426	2.2
105.07028	30.5
107.04954	10.9
107.08599	27.0
109.06514	23.0
109.10139	8.5
111.04462	9.5
111.08068	5.9
117.07011	14.7
117.43451	2.2
119.08576	33.2
120.37994	2.0
121.06505	8.9
121.10149	14.4
121.71502	2.0
123.08073	6.2
123.11710	4.6
125.09633	8.7
128.06213	3.0
129.07010	4.4
131.08554	15.0
133.06522	3.5
133.10126	16.7
134.48653	1.8
135.08055	8.7
135.11710	10.1
137.09634	4.8
137.13237	2.1
143.08545	4.7
145.10133	19.4
146.10553	2.1
147.08031	11.9
147.11676	11.4
147.12679	1.8
149.09630	12.9
149.13237	1.9
153.09154	2.1
153.12743	2.7
155.08549	2.9
157.10138	8.6
159.07982	2.5
159.11713	10.1
161.09616	4.7
161.13249	5.5
163.11160	15.9
163.14774	2.0
165.09192	4.7
171.11697	5.9
173.09563	3.3
173.13254	3.4
175.11147	3.6
175.14803	2.4
177.05368	3.4
177.09163	2.0
177.12798	3.0
179.65279	2.2
181.12254	5.3
183.11630	4.4
185.13283	4.4
189.11212	6.8
189.12762	2.1
191.10735	2.8
193.12238	6.0
197.13177	3.8
205.12325	2.4
221.15324	8.7
223.13196	9.8
227.12756	3.6
249.14857	3.7
257.18967	5.0
259.20612	2.7
273.18530	18.1
275.20059	32.0
289.17960	4.3
291.19543	100.0
293.21143	14.8
309.20514	1.9
404.32715	2.3
583.40918	4.5
601.42194	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4085
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43375	3.4
53.03936	9.2
55.01867	10.2
55.05511	42.7
57.07070	6.7
65.64598	2.7
67.05502	52.1
69.03434	7.0
69.07066	22.6
69.37775	24.9
69.38184	7.5
69.93982	2.8
71.04907	3.3
75.66316	2.9
78.99284	3.4
79.05489	48.5
81.03407	10.2
81.06595	7.0
81.07052	100.0
83.04988	18.2
83.08620	30.0
85.02880	3.7
85.06555	4.4
87.04487	9.8
89.06023	14.6
91.05471	48.9
93.07040	50.4
95.04955	43.2
95.08601	34.7
97.02919	3.3
97.06529	14.7
97.10162	12.1
97.29173	3.0
99.08100	4.9
100.93054	3.3
105.07016	51.8
107.04984	19.4
107.08577	36.9
109.06537	15.0
109.10151	22.2
111.04439	11.3
111.08086	13.1
113.06005	3.9
117.07026	22.3
119.08576	56.6
121.06505	8.9
121.10163	24.7
123.08054	15.6
123.11692	6.4
125.09617	12.9
129.06996	9.9
131.08559	33.1
133.06537	4.0
133.08575	9.2
133.10130	28.0
135.08058	11.6
135.11685	15.0
137.09619	9.6
143.08540	10.2
145.10112	42.9
147.08064	14.4
147.11678	19.4
149.09622	30.7
149.13266	3.8
151.07507	4.1
151.11206	5.3
151.94485	3.1
153.09074	4.8
155.08551	7.9
157.10117	14.7
159.08073	7.2
159.11707	15.5
160.32768	3.4
161.09628	9.4
161.13257	7.5
162.06088	4.0
163.11172	38.6
165.06943	4.5
165.09091	12.5
165.12854	6.6
166.79782	4.0
167.10666	4.4
169.10150	7.0
171.11723	9.6
173.09625	5.2
173.13312	9.8
175.11206	5.9
175.14822	5.2
177.11206	3.1
177.12740	6.3
179.03378	19.8
181.12279	7.5
182.11015	3.4
183.11702	4.7
185.13301	5.0
187.11198	5.2
187.14905	3.9
189.11224	7.1
189.12718	5.1
191.10675	7.2
193.12329	4.1
195.17667	3.4
197.13255	5.8
199.11229	3.9
199.14896	3.8
203.14386	9.2
209.11729	3.8
221.13466	5.1
221.15295	18.5
223.13249	26.0
227.12740	9.3
229.19566	4.3
239.17989	10.5
257.18991	13.5
273.18524	22.9
275.17230	2.5
275.20068	72.0
291.19513	66.8
293.21121	36.6
309.20758	11.1
583.40210	11.5
601.41730	15.6
601.72711	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	601.4093
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	7.3
55.01865	15.5
55.05510	34.6
57.03432	3.9
57.07065	2.9
65.03943	4.4
67.05505	43.2
69.03413	3.5
69.07065	21.2
70.28381	2.3
71.04995	5.7
71.08627	2.3
71.51077	3.2
79.05079	4.0
79.05495	58.3
81.03410	5.5
81.07055	93.0
82.07397	2.5
83.04977	10.9
83.08621	22.0
85.02913	4.0
85.06541	4.1
87.03396	2.3
91.05478	48.3
93.06499	3.5
93.07046	44.9
95.04976	21.0
95.08608	29.1
97.02958	2.5
97.06529	17.1
97.10157	26.2
105.07035	55.2
107.04964	18.7
107.08596	38.2
109.06519	22.8
109.10152	16.3
111.04439	9.6
111.08077	7.6
115.05421	5.5
116.06287	3.0
117.07034	24.1
119.08575	52.6
121.06503	12.8
121.10132	23.5
123.08054	18.6
123.11680	5.0
125.09615	20.0
128.06232	3.1
129.06992	8.2
131.08560	26.5
133.06468	7.4
133.10121	27.9
135.08026	12.0
135.11656	12.9
137.09624	4.6
139.11185	3.8
143.08508	10.4
145.06477	3.6
145.10109	30.7
146.10509	2.4
147.08064	15.7
147.11708	14.4
149.09631	24.0
149.13274	5.3
151.11159	3.3
153.09151	6.5
155.08543	5.1
157.10107	11.5
159.07977	5.7
159.11703	15.7
161.09610	10.0
161.13287	7.6
163.11171	23.2
165.09070	6.6
165.12723	2.9
167.10684	4.8
169.10094	5.1
171.11636	9.0
173.09570	5.8
173.13235	5.9
174.93521	2.2
175.11145	5.2
175.14882	4.9
177.12718	4.5
181.10170	3.3
181.12247	7.1
183.11594	4.7
185.13226	4.8
187.11182	4.4
187.14789	3.1
189.11214	18.4
189.12666	3.9
189.16406	2.7
191.10741	3.9
191.14203	2.5
193.12337	5.4
199.14906	3.3
207.13835	3.0
213.16316	3.0
215.14374	3.1
221.15361	4.2
223.13208	7.4
227.12776	3.9
227.17917	2.8
229.19611	3.5
233.15352	5.0
239.18008	4.1
247.20575	4.5
255.17473	5.8
257.19000	11.0
273.18466	35.6
275.20068	77.4
283.20813	2.9
291.19534	100.0
293.21069	11.6
309.20685	6.7
317.20978	4.5
457.33444	2.9
565.38745	4.9
583.39862	8.4
601.37354	28.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.415
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38987	18.7
51.11504	23.0
55.05505	29.5
58.62072	21.4
67.05476	52.1
71.29079	42.3
75.43783	20.1
79.05477	37.1
81.07034	56.1
89.06004	46.5
91.05466	39.0
93.07024	91.0
95.08578	38.0
97.06496	31.8
98.55157	19.1
105.06994	100.0
107.08577	53.2
109.10147	23.7
110.10532	26.9
117.06949	21.2
119.08575	80.8
121.10107	58.1
124.19536	21.8
129.07042	25.2
131.08548	35.0
133.10115	51.7
135.08070	29.4
143.08606	50.2
145.10078	51.4
147.08107	35.1
157.10152	48.6
159.11694	33.1
160.08792	55.5
163.11182	23.2
164.06844	27.4
165.09070	42.6
169.10078	27.7
174.48135	23.1
175.72289	20.5
203.14197	24.3
221.15393	93.2
244.96318	22.4
440.29340	33.6
498.03415	20.5
528.82367	25.6
600.40771	40.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.416
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60621	4.2
51.06956	5.0
53.03934	5.1
55.01872	9.0
55.05525	24.1
57.07061	14.1
65.03922	5.7
65.60285	4.6
67.05506	44.6
69.03425	15.1
69.07068	26.5
69.39243	13.4
69.39661	29.3
71.04981	11.4
72.84244	4.4
79.05489	38.5
81.07054	44.3
83.04977	21.9
83.08617	12.1
85.06536	7.4
86.46328	4.8
91.05480	59.3
93.07040	81.7
95.04964	23.8
95.08606	42.5
97.06524	14.2
105.07016	100.0
107.04964	6.6
107.08591	61.7
109.05820	4.6
109.06534	17.9
109.10154	37.9
115.05464	7.7
116.06232	5.5
117.07032	27.9
119.08576	88.6
121.06506	20.3
121.10135	53.9
123.08096	28.2
123.11617	7.8
125.09612	8.0
128.06186	14.1
129.06973	25.2
130.07802	9.2
131.08577	46.6
133.06448	5.6
133.08592	10.2
133.10123	40.2
135.08063	19.8
135.11661	14.4
137.09601	16.1
137.66580	5.9
141.06982	13.1
142.07806	29.1
143.08562	59.3
144.09288	16.1
145.06445	6.4
145.10114	79.6
147.08066	23.3
147.11661	13.5
149.09604	21.0
151.07530	13.2
154.07794	6.3
155.08521	24.1
155.10617	9.4
156.09346	20.6
157.10120	87.1
158.10770	7.9
159.08018	23.0
159.11694	48.4
159.47354	5.3
160.08867	5.6
161.09621	14.3
161.13254	12.0
163.11176	13.2
165.09105	19.2
166.07605	5.7
167.08537	8.9
167.10690	23.2
168.09364	11.4
169.10115	32.9
170.10922	12.1
171.11696	36.6
172.12320	7.5
173.09653	11.0
173.13281	18.1
175.11176	19.9
175.14825	5.5
177.12714	6.1
179.08580	10.6
179.10661	5.8
180.09221	6.6
181.10063	27.3
181.12337	7.2
182.10867	10.3
183.11673	33.2
184.12474	7.2
185.09584	6.8
185.13306	21.8
186.10211	6.4
187.11191	7.0
187.14832	7.9
189.12733	7.9
193.10141	14.1
193.12321	8.7
194.10878	11.8
195.11665	29.7
195.13580	4.4
196.12447	8.2
197.09671	8.2
197.13246	35.2
198.10519	4.7
199.11237	9.9
199.14806	13.7
201.12827	7.9
203.14336	17.3
205.10205	5.0
207.11723	19.5
207.13728	10.9
208.12538	9.5
209.13333	29.1
210.13834	10.9
211.14857	18.9
213.12665	8.9
213.16383	8.8
215.14354	7.7
217.10071	4.9
217.16028	7.2
217.77681	4.7
220.12492	9.9
221.13246	16.3
221.15385	43.4
222.15874	7.9
223.14775	14.9
225.12712	6.6
225.16357	10.6
227.14304	6.9
231.11601	5.9
233.13167	12.3
233.15421	24.9
234.13933	7.3
234.16104	8.6
235.14888	9.0
237.14680	7.1
241.15840	4.8
247.14743	7.2
247.16936	6.8
248.14046	5.0
249.16399	8.7
255.17490	28.8
265.19571	6.9
271.16925	8.4
273.16061	7.2
274.19046	8.3
275.20120	7.0
281.18988	7.6
286.19360	6.0
290.18375	5.1
296.47211	4.9
299.20163	9.1
303.19519	19.5
313.21759	7.0
325.21799	8.0
352.24020	29.9
365.24771	10.9
383.25528	9.2
394.59616	5.0
423.10809	5.4
507.34875	6.6
508.35092	13.4
520.35345	17.3
582.41339	5.1
600.41357	46.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.416
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94590	3.9
55.05505	4.7
57.07064	11.2
58.59750	3.8
67.05489	16.1
69.03419	8.8
71.46829	9.3
71.60553	4.4
73.40984	4.0
79.05485	14.7
81.07052	16.3
83.04973	9.9
83.08604	5.1
85.06514	6.0
89.06022	7.4
91.05467	20.3
93.07047	32.8
95.04951	9.3
95.08591	18.4
97.06544	8.8
103.05463	4.5
105.07038	46.5
107.08562	23.4
109.06487	7.1
109.10152	10.0
117.07024	15.0
119.08586	45.5
121.06529	5.3
121.10141	19.8
123.08063	16.4
125.05978	5.8
128.97433	4.1
129.06979	7.6
131.08589	23.2
133.08507	5.7
133.10153	20.6
135.08049	12.8
135.11653	6.9
137.09608	18.0
142.07748	10.5
143.08562	19.9
144.09351	7.4
145.10123	28.6
147.08026	20.5
147.11697	8.6
149.09601	11.3
151.07526	10.3
155.08481	8.6
156.09343	10.3
157.10136	30.0
158.10809	7.1
159.11684	20.5
161.13246	5.5
163.11136	15.8
165.09123	40.4
167.08691	4.0
168.09409	5.8
169.10123	10.6
170.10930	4.4
171.11696	16.8
172.12456	5.4
173.09610	6.8
173.13332	4.8
175.11192	15.6
177.11200	4.2
181.10078	5.4
181.12262	14.6
182.10851	6.8
183.11650	10.9
185.13203	10.9
189.12750	9.2
190.13498	4.9
193.10074	7.2
193.12137	6.3
194.10869	4.9
195.11630	7.5
196.12256	5.6
197.13313	9.2
199.11195	5.7
201.12718	7.4
203.14369	16.5
207.11702	8.1
207.13747	9.6
208.14607	8.9
209.13258	10.2
211.14742	9.7
215.14394	4.4
221.13492	4.8
221.15358	100.0
221.17371	7.5
222.15712	16.9
223.14636	5.0
225.16208	4.6
233.15425	6.6
234.16176	14.8
247.14734	4.6
247.16943	24.7
248.17557	4.8
254.93907	4.1
259.16916	4.8
274.19232	10.0
287.20007	8.9
299.20071	13.5
310.87640	4.3
313.21423	9.5
325.21606	10.3
327.23111	6.7
340.23993	12.8
352.24066	33.1
365.25055	7.0
377.24728	5.6
387.25180	4.6
391.26059	10.1
392.26541	4.5
413.27045	5.1
419.29486	6.4
426.27808	4.5
427.28351	8.3
440.29199	24.8
508.34958	15.0
508.41989	4.9
520.35510	29.2
521.36127	6.4
600.41309	48.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	17.2
56.63926	5.1
57.07066	22.3
59.04981	5.6
67.05498	23.5
69.03427	17.5
69.07071	13.2
70.48502	5.9
70.48850	18.3
79.05497	33.2
81.07051	38.2
83.04984	15.2
83.08618	9.4
85.06541	9.0
89.06019	9.4
91.05484	49.8
93.07040	52.7
95.04980	16.0
95.08606	41.0
97.06543	14.6
105.07034	74.1
107.08590	43.5
109.06535	19.8
109.10151	17.6
111.04473	6.3
111.08080	9.6
115.05388	4.6
117.07026	23.2
119.08582	98.7
121.06497	12.7
121.10151	36.3
123.08076	29.9
125.05994	9.3
128.06229	11.3
129.07014	14.9
131.08580	40.1
133.06461	8.6
133.10115	40.2
135.08051	28.6
135.11707	7.5
137.09602	19.3
141.06995	11.2
142.07768	21.1
143.08556	34.9
144.09348	8.5
145.06491	9.7
145.10114	68.0
147.08037	36.2
147.11703	16.0
149.09642	25.4
151.07549	12.1
155.08603	14.8
156.09354	16.2
157.10117	44.8
158.10765	6.8
158.63733	5.1
159.08075	10.8
159.11674	32.9
160.08879	10.2
161.09642	13.1
161.13220	10.9
163.11217	26.2
165.09105	65.2
167.08575	6.4
168.09241	8.1
169.10135	20.0
170.10913	8.5
171.11671	23.7
173.09616	15.6
173.13263	17.3
175.11154	25.7
179.08549	14.1
181.10118	14.9
181.12224	18.8
182.10855	7.9
183.11777	26.6
184.12227	5.1
185.09729	6.6
185.13303	12.7
187.11154	19.1
189.12660	9.7
190.13612	8.0
191.10616	6.0
193.10353	6.0
193.12218	13.9
195.08099	5.5
195.11699	21.6
196.12558	5.8
197.13269	17.6
199.11299	11.6
201.12769	14.0
203.14294	26.3
207.11797	6.9
207.13878	14.4
208.12480	6.0
209.13260	8.9
211.14795	8.3
219.11777	7.0
219.13731	12.0
221.13356	7.7
221.15350	100.0
222.15742	11.1
234.16164	13.3
237.12712	8.1
239.17871	6.5
243.13806	5.4
247.17067	24.7
249.16389	5.6
259.16980	9.0
271.17068	7.3
272.52084	5.3
274.19299	14.0
281.19223	5.9
287.20197	8.3
299.20117	13.5
312.20554	7.9
325.21741	12.7
340.23825	7.5
352.23941	25.8
370.20993	10.6
391.26154	7.0
419.29456	7.7
425.26868	6.1
426.20288	8.0
427.28204	10.1
440.29196	24.7
452.21957	6.0
508.35602	7.5
513.24677	26.1
520.35284	33.3
540.23071	15.5
600.25494	44.3
600.41626	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	600.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09172	0.5
53.03953	0.6
55.01851	1.8
55.05512	4.6
56.05019	1.1
57.03418	0.8
57.07069	0.8
57.98789	0.7
58.06583	0.8
58.45912	0.6
58.99297	1.1
58.99583	17.8
59.07370	0.8
60.08155	1.3
61.01154	0.7
62.75879	0.6
65.03932	1.0
67.05499	8.8
69.03419	2.1
69.07066	5.8
71.07346	0.6
71.13027	1.3
73.01147	0.9
76.02225	78.9
76.03984	3.8
79.05495	6.7
81.03414	1.4
81.07047	10.5
82.88439	0.6
83.04975	2.2
83.06097	1.4
83.08593	2.3
84.04505	13.2
86.09707	6.9
86.99046	4.8
88.02216	1.6
91.05484	7.1
93.07039	9.3
95.04971	3.7
95.08598	7.6
97.01102	0.7
97.02882	1.2
97.06514	3.7
97.10179	1.0
99.05619	0.6
102.05555	0.9
104.10742	1.2
104.16571	0.6
105.07028	9.7
107.04956	3.0
107.08574	6.8
109.02840	0.7
109.06520	5.1
109.10172	3.6
111.08061	1.2
114.03758	0.7
116.01676	22.1
117.07035	3.3
119.08578	5.7
120.08098	0.6
121.06486	4.2
121.10132	3.3
123.04353	0.6
123.08070	2.7
123.11713	1.6
124.99998	4.4
129.06557	1.1
130.04985	4.8
131.08572	6.1
133.06447	1.5
133.10127	5.7
135.08049	1.8
135.11681	1.9
137.05986	1.2
139.03848	0.6
141.07031	1.1
142.03217	6.6
143.08549	1.5
144.01151	11.6
145.06107	0.7
145.10124	4.3
147.08055	1.5
147.11687	4.4
149.09584	2.5
149.13245	1.4
151.03860	0.8
151.11200	1.8
155.08534	1.0
157.10129	1.9
159.08023	0.9
159.11653	3.9
161.09592	1.6
161.13239	1.8
162.02200	43.7
163.03773	0.7
163.11165	1.6
165.05515	0.7
167.07002	1.4
169.10078	0.8
170.02678	3.3
171.11655	1.7
173.09695	1.5
173.13261	2.2
175.11201	2.0
177.12688	1.2
179.04851	100.0
183.11690	1.1
184.07339	22.4
187.05344	2.4
201.12788	1.7
207.13797	2.0
213.05432	0.7
215.04799	2.2
215.14063	0.7
216.03247	0.7
219.13872	1.6
231.17560	1.0
233.05920	12.8
245.05864	3.9
257.18854	3.0
271.05988	3.5
272.06354	3.4
273.18390	3.8
275.20065	28.6
290.08044	1.2
291.06390	2.6
291.19571	4.1
293.17844	1.2
293.21088	20.5
308.09109	28.4
333.18988	0.7
351.19843	0.8
355.15518	1.4
368.22482	7.0
373.16266	0.9
378.20908	1.2
453.24130	5.9
466.58606	0.6
471.25281	1.3
525.26288	4.0
582.28143	1.1
600.29535	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	599.4091
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	1.7
54.21438	0.5
55.01853	1.2
55.05512	3.8
56.90021	0.6
57.07071	6.3
59.05004	3.0
65.03932	1.0
67.05504	9.9
69.03423	6.7
69.07063	3.6
69.95734	2.3
69.96142	1.4
77.03928	0.6
79.05492	7.8
81.03378	1.1
81.07049	13.2
83.04981	3.0
83.08569	2.1
85.06525	3.8
91.05478	13.2
92.05777	1.0
93.07039	21.5
95.04477	0.6
95.04972	6.2
95.08602	14.7
97.06544	3.5
97.10087	0.8
103.05421	1.1
105.04533	0.6
105.07029	23.2
107.08593	13.5
109.05798	0.8
109.06499	6.7
109.10170	5.5
111.08038	1.9
115.05428	1.3
116.06216	0.8
117.07025	4.8
119.04881	0.7
119.08575	27.6
121.06514	4.7
121.09341	1.0
121.10140	14.3
122.07230	1.0
123.07223	0.8
123.08064	14.1
123.11690	1.4
125.05971	3.7
125.09671	0.6
128.05394	0.5
128.06177	3.6
129.06989	4.8
130.07767	1.3
131.08559	9.5
133.06468	2.1
133.07492	0.5
133.10121	13.8
135.08046	10.7
135.11690	4.5
137.05969	1.6
137.09608	13.6
139.07512	1.9
141.06953	2.5
142.07758	6.6
143.08551	13.1
144.09285	2.5
145.06425	1.3
145.10112	18.0
147.08040	20.5
147.11678	4.7
149.09608	4.5
149.13280	1.0
151.07536	11.6
153.06967	1.3
154.07750	1.0
155.08548	6.1
156.09326	4.3
157.06416	0.7
157.10120	16.1
158.10834	1.7
159.08028	3.7
159.11679	10.3
161.09596	6.6
161.13269	5.0
163.11162	8.0
165.06902	1.2
165.09103	48.3
166.07820	0.7
166.09383	0.8
167.08528	2.4
167.10625	4.4
168.09293	2.0
169.10120	7.8
170.10883	3.0
171.07997	0.9
171.11676	11.0
172.08698	0.7
173.09628	3.9
173.13266	4.7
174.10306	1.0
175.11203	3.2
175.14796	1.8
177.09070	2.0
177.12721	1.5
179.08545	2.4
180.09282	1.3
181.10156	4.3
181.12213	7.5
182.10860	3.1
183.11694	12.0
184.12399	0.6
185.09602	1.9
185.13252	7.5
187.11130	3.1
187.14806	1.7
188.12036	0.8
189.12740	4.6
191.08556	0.6
191.10649	3.5
191.14294	1.4
192.09367	0.8
192.11365	0.9
193.10106	2.7
193.12193	1.1
194.10869	1.8
195.11665	4.5
195.13853	1.7
196.12460	2.2
197.09544	0.9
197.13245	5.5
199.11172	1.9
199.14824	1.6
201.12694	2.7
203.14299	19.5
203.16193	1.0
205.10149	0.6
206.10841	1.0
207.11685	2.3
207.13777	6.5
209.13220	5.5
209.15244	0.9
210.13971	0.8
211.11205	1.6
211.14813	6.0
213.12726	2.1
213.16200	0.8
215.14355	1.5
217.10172	0.7
220.12253	0.7
221.15353	100.0
222.15790	1.4
223.11377	0.7
223.14760	2.0
225.12721	1.6
225.16154	1.1
227.14296	1.4
227.17821	1.0
229.12025	0.9
229.15765	1.6
231.13777	1.4
232.12413	0.9
233.13182	2.0
233.15341	4.5
235.14755	1.7
237.16393	0.8
238.17145	0.6
239.14362	1.1
239.17921	2.0
243.13905	0.9
245.13179	1.2
247.14767	1.0
247.16936	15.0
248.15472	0.8
249.16354	1.4
251.14203	1.0
251.18002	0.9
253.15773	0.6
257.15323	0.8
257.18765	0.7
259.14728	1.0
261.18680	0.8
263.17963	1.6
265.15887	0.9
265.19308	0.7
269.18964	1.3
271.16937	0.8
273.18549	1.0
281.18985	1.6
285.18674	0.8
286.19351	1.1
287.20065	7.4
299.20135	6.6
301.21664	1.6
307.20502	0.6
311.20123	2.2
313.21753	1.8
317.19031	0.7
325.21576	1.2
327.23108	2.6
363.23007	0.7
364.23895	1.0
365.24753	5.1
373.25223	1.5
391.26303	10.9
413.26788	1.3
419.29456	3.5
427.28384	6.4
453.30118	1.3
479.31067	0.8
507.34760	7.6
519.34741	2.8
525.33673	0.8
543.34351	0.7
563.38818	1.4
581.39789	2.3
599.40924	61.2
600.41290	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3935
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.5
55.01870	13.6
55.05507	35.5
57.03425	4.9
57.07063	5.1
58.69455	1.0
59.04988	2.3
65.03939	4.8
67.05502	44.3
69.03432	8.5
69.07064	15.5
71.04984	3.9
71.52105	1.3
77.03905	1.8
79.05490	47.4
80.28033	1.1
81.03423	12.8
81.07053	86.5
83.04984	15.0
83.08614	19.7
85.02891	3.2
85.06526	4.1
91.05473	42.1
93.07039	45.9
95.04965	29.5
95.08605	25.1
97.06519	8.3
97.10170	21.6
99.04476	1.9
99.08125	2.2
103.05477	3.9
105.04522	1.3
105.07031	44.4
107.04947	16.8
107.08593	29.7
109.06512	21.4
109.10157	17.1
111.04430	11.6
111.08070	8.5
115.05460	5.1
116.06238	1.2
117.07011	21.4
119.04948	3.2
119.08574	46.3
121.06503	15.0
121.10143	22.3
123.04385	1.9
123.08057	20.9
123.11698	2.0
125.06002	3.0
125.09627	19.2
128.06189	5.6
129.06998	14.0
130.07820	2.3
131.04907	2.0
131.08557	22.6
133.06477	8.8
133.10129	19.3
135.08055	14.8
135.11685	13.3
137.05977	1.4
137.09584	10.3
139.07559	1.9
139.11142	1.8
141.06938	5.2
142.07784	6.9
143.08553	14.2
144.09311	2.0
145.06464	7.5
145.10118	27.5
146.07327	1.3
147.08037	29.6
147.11700	8.4
149.09630	11.6
151.07527	7.6
151.11226	1.9
153.07071	1.4
153.09125	5.3
153.12697	5.6
155.08551	7.8
156.09314	4.1
157.10120	20.1
157.11333	1.5
158.10869	1.5
159.08063	8.1
159.11681	13.8
160.08830	1.3
161.09613	27.1
161.13275	4.2
163.11176	18.7
165.07028	1.7
165.09114	28.0
167.08597	3.1
167.10670	3.0
168.09320	1.4
169.10107	6.4
170.10941	2.1
171.08069	1.4
171.11662	12.5
173.09650	7.7
173.13286	4.9
175.11147	9.1
175.14809	2.8
177.09061	2.2
177.12743	3.2
179.08563	2.3
179.10583	1.4
180.09396	1.5
181.10150	4.5
181.12204	9.0
182.10944	2.1
183.11659	8.5
185.09656	2.4
185.13181	8.4
187.11249	3.6
187.14787	2.8
189.11246	20.9
189.12798	5.1
191.10660	9.0
191.14297	2.5
193.10178	1.8
193.12192	2.8
195.11775	4.5
195.13809	1.3
197.09528	1.2
197.13310	6.0
199.11198	4.3
199.14836	3.1
201.12813	2.5
203.14268	9.4
205.10220	1.6
205.12241	2.6
207.11974	1.4
207.13864	4.6
208.12483	2.1
209.13326	5.2
211.14876	3.3
213.12772	3.7
215.14276	1.8
219.13719	1.5
221.13393	2.0
221.15353	48.6
223.13101	5.6
225.12645	1.6
225.16248	1.8
227.12650	5.8
227.18001	4.4
229.15892	2.5
231.13835	2.3
231.17438	1.2
233.13298	2.2
233.15422	4.4
235.14922	2.0
235.17119	1.3
237.16402	3.6
245.13353	1.5
245.18954	8.6
247.16969	5.0
249.14755	2.6
255.17415	8.6
263.17862	1.5
271.17044	1.9
273.18488	100.0
274.18878	1.7
275.20175	3.4
285.18549	1.5
287.20166	4.1
289.18079	3.1
291.19531	69.2
299.20087	2.7
301.21509	1.5
309.20709	2.8
365.24741	2.2
391.26410	4.4
395.25998	1.3
413.26932	2.4
419.29892	1.4
427.28763	5.6
443.28162	1.2
453.29837	1.7
495.78351	1.2
507.34674	7.0
529.00256	1.1
545.36255	2.8
563.37268	4.9
581.38770	10.1
599.40491	49.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3929
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.8
53.61829	1.1
55.01877	8.7
55.05509	21.3
57.03426	3.7
57.07067	3.4
59.04988	1.9
65.03939	2.9
67.05139	1.4
67.05501	32.6
69.03426	4.1
69.07066	23.6
70.11163	4.2
71.04986	2.9
79.05492	36.3
81.03398	3.1
81.07052	50.0
83.04972	14.7
83.08614	8.4
85.06531	2.1
91.04906	1.9
91.05478	41.0
93.07041	47.6
95.04957	16.4
95.08604	29.6
97.06520	8.3
97.10167	7.4
99.08076	1.6
103.05488	1.6
105.07024	46.3
107.04953	15.7
107.07880	2.2
107.08585	29.5
109.02859	2.7
109.06511	14.5
109.10149	10.6
111.04406	2.9
111.08088	4.7
115.05468	2.8
117.07009	17.8
119.08576	34.8
121.06505	18.4
121.10127	17.1
123.04457	1.7
123.08054	13.8
123.11708	2.7
125.09625	4.8
128.06253	2.7
129.06990	6.9
130.07791	1.9
131.08562	32.7
133.06487	8.1
133.10120	25.0
135.04468	1.2
135.08038	14.8
135.11705	8.1
137.09637	6.3
139.07536	1.6
141.07005	4.0
142.07820	2.2
143.08548	10.2
145.06474	5.6
145.10120	25.4
147.08041	9.4
147.11682	15.9
149.06009	1.5
149.09590	11.8
149.13263	5.0
151.07480	3.1
151.11179	5.4
153.09161	2.3
153.12781	2.0
154.07802	1.4
155.08531	4.6
156.09358	1.9
157.10127	8.3
159.08025	8.2
159.11694	14.9
161.09645	11.1
161.13264	4.5
163.07501	5.9
163.11179	8.2
163.14772	1.5
165.09103	5.4
167.10678	1.9
168.09259	1.8
169.10156	6.9
171.08041	1.3
171.11670	6.6
173.09613	6.1
173.13235	9.3
175.11189	6.8
175.14835	3.2
177.09221	1.6
177.12759	4.1
179.08803	1.2
179.10637	6.0
179.14258	1.5
181.10149	3.0
181.12225	2.1
183.11708	5.5
185.09622	1.8
185.13234	2.8
187.11211	4.3
187.14778	2.3
189.09172	1.8
189.11192	1.8
189.12737	1.7
191.10722	1.4
191.14328	4.7
193.10439	1.7
193.12231	15.0
195.11722	2.1
197.13184	5.4
199.14859	2.4
201.12749	4.1
201.16341	1.6
203.14360	1.9
205.12453	1.2
205.15889	1.1
205.19637	1.3
207.10101	1.9
207.13797	4.7
209.13283	2.2
211.14771	3.2
213.12610	1.3
213.16360	1.5
215.14371	2.7
215.17993	3.3
219.13788	4.1
221.11687	2.4
221.15324	9.7
223.14873	1.2
225.16478	2.2
227.12679	1.8
229.15871	1.6
229.19528	3.5
233.15388	2.0
233.18817	1.5
239.17923	6.4
243.17435	3.1
247.16885	1.8
247.20551	4.7
255.17406	1.6
256.72412	1.1
257.18973	22.8
261.18530	3.1
271.16925	9.4
273.18451	3.2
275.20047	100.0
276.20438	2.4
289.17963	47.6
291.19528	3.1
293.21078	14.6
299.20056	1.8
307.19009	9.9
357.20386	1.1
483.30826	1.2
545.36407	3.8
563.37115	13.4
581.38293	33.9
584.44202	1.2
599.40320	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	598.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62379	1.2
57.03431	1.1
57.22923	1.1
59.11335	1.0
68.15924	1.2
69.03414	2.4
69.49022	2.4
69.49426	7.1
73.02923	2.5
79.05488	1.9
81.03423	14.4
84.72759	1.1
85.02911	10.4
85.16730	1.3
91.05482	2.3
95.04973	1.6
97.02866	3.1
98.20773	1.8
103.05455	4.1
105.07001	1.7
107.04973	9.9
114.51093	1.6
115.05462	4.6
117.07001	13.0
123.04425	3.4
124.05193	3.1
125.05933	1.5
127.03953	2.1
129.07022	2.6
131.04875	1.5
131.08572	2.3
133.06517	1.9
138.35117	1.1
141.06903	1.7
144.05652	1.4
145.04942	2.4
145.05150	2.6
145.06483	32.9
152.04700	1.4
155.06010	3.9
156.05685	6.2
157.06419	1.8
159.08057	5.0
161.06009	3.8
162.07570	1.9
167.07028	49.1
173.05983	61.2
174.06540	1.5
177.05504	2.1
180.08688	4.3
181.08600	1.5
184.05235	2.4
187.07565	7.8
190.04735	1.1
190.06244	30.4
190.07829	2.6
191.07054	2.3
193.08658	3.3
202.06267	4.2
203.07042	4.2
205.08600	100.0
206.09038	2.2
207.06488	1.6
215.07007	1.9
217.08585	40.8
219.10204	3.8
223.09708	3.5
231.08063	1.4
235.09639	28.5
235.11909	2.1
247.07573	1.8
247.09694	6.9
258.05148	2.0
259.05478	2.3
260.05771	2.1
261.06174	1.7
261.09076	1.8
265.10706	31.9
276.07770	1.5
279.10236	1.3
286.04745	5.5
287.05045	11.5
288.05362	9.2
289.05640	8.4
291.10071	2.8
293.07877	1.7
301.07065	22.8
302.07397	42.4
303.07626	32.5
304.07901	24.5
315.08563	4.8
316.38034	1.4
330.11008	4.3
331.11948	3.7
336.09769	1.7
351.12259	3.8
368.12067	1.3
371.14957	1.6
383.14853	12.8
401.15836	11.0
464.12915	2.6
465.12933	4.2
466.13092	9.2
490.49161	1.3
617.26434	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.7
55.01865	2.1
56.63220	1.0
57.03419	2.6
58.55610	1.0
59.05000	1.7
59.58553	1.0
61.02916	2.5
65.51970	0.9
67.05473	2.0
69.03431	10.4
71.01379	1.6
71.05003	1.1
71.11723	1.8
73.02917	2.5
76.07569	1.0
79.05491	4.8
80.04993	3.5
81.03408	5.0
81.07040	2.7
82.06595	1.2
83.04968	1.3
84.04500	7.4
85.02905	27.7
87.04450	2.5
91.05472	5.1
93.05772	3.3
93.07033	3.7
94.06559	2.6
95.04957	8.6
95.08627	1.1
97.02881	8.6
99.04462	1.4
102.05597	1.0
103.05446	2.5
104.74491	1.0
105.04565	1.1
105.07017	2.5
107.04958	19.6
107.08595	2.2
108.08112	91.3
109.02870	14.2
109.06516	2.9
109.08947	5.4
110.09644	3.4
114.05527	2.0
121.06461	2.9
122.09654	3.2
123.04414	3.0
125.02351	1.8
127.03893	3.4
128.06241	1.5
129.06987	2.0
130.04988	1.3
131.04939	2.2
131.08527	4.1
133.06462	1.7
133.10138	1.7
134.09608	1.8
135.04385	9.6
137.05939	3.2
139.03876	6.5
141.06978	1.3
145.04950	2.4
145.06407	1.4
149.05978	4.3
151.03903	6.4
153.05464	2.9
157.10063	1.8
159.04433	1.8
159.08096	3.3
160.05965	1.3
161.06026	1.1
165.05463	19.9
165.06764	2.0
167.07065	4.3
168.06462	1.7
177.05458	13.5
179.07095	2.2
186.07603	1.6
187.07484	2.9
194.11736	1.5
195.06493	4.2
202.08604	1.8
204.10184	2.3
209.08063	11.7
209.15399	1.9
210.07608	2.9
211.11171	1.8
227.09105	5.4
238.10733	26.8
239.10509	1.4
240.12300	26.0
241.08047	1.2
290.13898	1.3
315.77942	1.2
334.12750	1.2
369.08163	4.0
376.17551	1.9
387.09222	3.3
404.17032	41.8
418.18381	3.1
419.12054	1.9
436.19638	100.0
437.19971	4.7
479.34589	1.1
496.59714	1.2
598.25134	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	598.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48297	1.4
51.02369	1.4
53.03938	5.1
55.01859	2.2
57.03421	1.9
59.04983	5.4
61.02906	2.5
67.05491	2.3
69.03426	7.1
69.46595	3.5
69.47000	6.8
71.01339	3.6
71.04980	2.5
73.02906	4.1
79.05494	18.9
81.03413	6.9
81.07039	3.6
83.01347	2.9
83.04976	2.7
84.04464	1.6
84.36591	1.4
85.02903	12.1
91.03915	1.3
91.05495	8.9
93.07023	5.6
94.06583	1.7
95.01316	2.7
95.04961	25.0
97.02894	10.1
101.02345	1.8
103.03941	1.6
103.05449	7.7
105.07034	2.8
107.04954	100.0
108.08114	21.7
109.02877	67.5
109.06514	5.9
111.04442	3.0
113.02374	1.6
121.06510	14.1
123.04460	7.2
125.02374	8.7
127.03924	2.5
129.01807	3.6
131.04932	8.4
133.02841	4.0
133.06450	1.8
135.04411	44.2
137.05946	2.6
139.03903	29.1
141.05409	1.6
145.45491	1.7
147.02794	1.7
149.05972	22.4
151.02757	2.1
151.03894	27.1
153.05476	10.8
157.01418	2.4
159.04398	5.9
165.05472	78.1
167.07031	17.7
177.05460	58.4
181.04964	1.5
191.07083	6.1
195.06506	29.4
203.01881	3.8
204.93411	1.3
209.08087	69.3
213.07599	6.8
221.02907	5.8
225.45845	1.2
227.09149	34.5
235.04460	1.7
238.10738	4.3
240.12279	5.3
268.88043	1.3
296.06390	1.4
324.08612	1.6
325.05658	1.6
326.07272	2.1
327.07376	3.0
343.06656	1.7
349.07431	1.9
351.07162	5.7
369.08218	25.0
381.09180	1.6
383.09814	6.5
383.14197	1.7
387.09210	16.7
401.11050	2.7
404.17096	11.4
419.11765	15.1
436.19635	20.9
459.11920	1.5
460.12003	2.0
598.24426	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	598.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05299	1.3
53.03933	4.7
55.01858	2.0
57.03438	3.2
67.05509	2.2
69.03432	3.5
71.01357	1.1
71.04987	2.8
71.51577	1.6
73.02927	1.2
77.03852	1.3
79.05489	10.6
81.03409	5.2
81.07053	3.2
83.04936	1.3
85.02908	5.8
91.05484	4.4
93.07056	4.9
95.01314	1.4
95.04970	66.5
97.02894	8.8
97.06517	1.5
98.70586	1.3
103.05430	6.8
105.04521	1.7
105.07037	3.4
107.04960	84.1
108.08078	1.1
109.02884	22.0
109.06507	2.5
115.03976	3.0
116.07098	1.4
120.48895	1.1
121.06515	12.5
123.04441	15.0
125.02348	27.1
125.05997	3.6
127.03893	2.9
129.01837	2.3
131.04913	3.6
133.02875	3.7
133.06456	1.6
135.04422	5.5
137.06015	8.2
139.03899	2.6
143.03375	2.2
145.05008	1.5
149.05991	23.4
151.03905	100.0
152.04240	1.1
153.05486	10.0
157.01357	2.2
159.04373	2.4
161.04482	1.2
165.05490	20.6
165.49960	1.2
167.07062	7.6
168.07407	2.1
177.05469	30.4
178.08754	1.2
181.05063	2.0
182.05461	1.5
189.03932	9.2
189.09137	1.2
195.06541	70.9
207.05032	5.4
209.08119	5.1
213.07600	16.2
217.03624	1.9
227.09094	15.9
257.13574	2.5
303.05139	2.6
304.05402	4.1
339.07199	1.8
365.08765	2.0
383.09763	12.9
397.29434	1.3
400.14127	1.9
401.10767	13.1
418.15787	3.8
419.12106	2.7
436.17371	1.6
474.69949	1.2
573.02594	1.3
598.22986	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	597.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.3
55.01873	7.7
58.63231	0.9
65.03930	4.3
68.11908	0.9
69.03408	1.4
69.27586	9.4
74.80923	1.1
78.04691	2.4
79.05493	5.4
81.03398	1.9
85.02888	1.8
91.05471	10.2
93.03362	1.6
93.07044	2.7
95.04955	4.0
97.06529	2.2
98.18958	1.0
102.04697	2.0
103.05473	9.6
104.06199	1.1
105.03392	2.4
105.07042	10.2
106.04153	3.2
107.04969	9.2
109.02855	3.8
110.03659	2.8
111.04443	2.4
114.14024	1.3
115.05451	4.7
116.06247	1.9
117.07012	4.0
118.04194	1.9
119.04960	8.2
119.08552	1.0
121.06502	7.0
122.03638	1.4
123.04446	4.3
124.05199	1.5
125.06015	2.4
128.06230	2.6
129.06989	5.1
130.04163	2.0
131.04936	29.2
131.08565	2.6
132.05725	12.3
133.02853	7.4
133.06488	17.7
135.04422	3.2
137.05975	11.9
139.03850	2.1
141.06996	2.1
142.02713	1.3
143.04935	1.2
144.05663	2.7
145.06483	17.9
146.03621	1.2
146.07251	12.3
147.04427	11.5
147.08066	3.2
148.05211	6.3
149.05989	16.8
151.03871	2.6
151.07504	3.6
153.05461	6.4
154.06242	2.6
155.07071	1.9
157.06483	4.0
158.07286	3.4
159.04387	3.0
159.08072	3.7
160.05217	8.5
161.05974	19.0
162.06783	7.7
163.03873	4.6
163.07504	4.2
165.05486	13.6
166.06189	3.0
167.07037	27.4
171.06621	1.8
171.08090	1.1
173.05994	7.6
174.06764	12.1
175.07527	3.9
176.04715	1.6
176.08267	3.8
177.05476	23.4
177.09079	2.1
179.07039	5.6
180.07767	10.3
181.04955	46.1
185.05896	1.2
186.06735	2.1
187.07530	6.4
189.05496	6.5
189.06978	1.7
189.09123	2.0
190.06224	3.0
191.07025	20.9
191.08591	1.4
192.07811	47.2
193.04984	1.5
193.08647	5.0
195.06474	2.0
199.07498	2.2
201.05524	2.6
203.06993	6.4
205.08620	3.4
207.06439	1.9
207.08221	1.5
208.07291	19.5
209.08070	9.6
215.07101	1.3
217.08565	2.6
218.09430	1.1
219.06448	2.3
219.10196	1.8
221.05942	2.0
221.08066	31.4
226.08311	9.2
233.08067	3.1
234.06702	1.8
234.08846	2.0
235.07492	1.2
247.07523	1.8
249.09070	2.4
249.11285	3.2
250.06207	1.2
251.09137	4.8
260.08112	1.0
261.09036	1.3
265.08487	2.0
276.07733	1.4
277.08423	2.6
278.09351	1.6
279.10056	1.9
286.04776	2.1
287.05612	1.8
290.09470	1.3
293.08075	1.3
297.11017	1.3
307.09549	1.9
308.10406	1.3
309.11169	2.1
311.13022	1.4
319.09515	1.6
327.12152	2.8
339.08499	1.1
339.12292	16.0
340.12921	1.4
341.13702	2.9
351.12152	3.8
353.13831	2.7
361.40070	1.1
369.13464	7.9
371.15118	4.9
385.12738	1.5
387.14026	1.5
389.15894	1.4
399.14325	3.6
400.15256	5.0
417.15509	3.0
418.16211	100.0
419.16629	3.0
435.10870	1.3
436.10382	1.3
481.91269	1.1
549.20502	1.3
597.22809	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.2
55.01871	1.4
65.03954	4.7
67.05482	0.8
69.07087	0.8
69.20729	3.8
69.21156	4.8
75.97125	0.7
78.04680	1.9
79.05487	5.2
81.07053	1.0
82.04195	0.9
83.04977	0.8
83.48694	0.9
88.84391	0.8
89.03892	1.0
89.83212	0.7
91.05494	5.8
93.03394	2.5
95.04951	3.6
102.04613	0.9
103.05467	4.3
105.07034	7.2
106.04178	2.6
107.04951	9.5
108.02109	0.9
109.02882	1.7
110.03674	4.6
111.04429	6.1
115.05448	3.7
117.07024	1.5
118.04121	2.4
119.04937	1.3
119.08590	2.0
121.02959	0.9
121.06509	3.5
122.03577	0.9
123.04420	4.3
124.05197	1.3
125.05996	7.7
128.06204	2.8
129.06985	5.7
131.04910	4.2
132.05702	1.6
133.06487	5.7
135.04414	1.3
137.06006	4.8
139.03819	0.9
143.04918	1.1
144.05695	2.1
145.06454	3.1
147.04416	1.9
147.08063	1.9
148.05200	1.4
149.06013	4.6
151.03970	1.1
151.07581	1.0
152.04727	1.7
153.05470	23.6
155.04848	1.4
157.06462	1.1
159.08052	6.1
160.05136	1.0
161.05986	11.1
162.06703	0.9
163.03923	5.7
163.07573	1.4
165.05557	1.6
167.07042	65.4
168.07277	1.1
171.04393	1.1
171.08110	0.8
172.05156	1.7
173.05986	1.9
175.07536	11.8
176.04697	1.0
177.05466	5.4
178.07797	2.4
179.07063	2.6
181.04958	2.4
181.06471	1.0
181.08588	1.1
184.05284	1.2
185.05949	2.2
186.06740	1.1
187.07562	20.4
189.05441	6.3
189.07053	3.1
189.09216	1.5
190.07794	2.8
191.07024	7.5
191.08591	3.8
193.10120	1.0
195.06610	2.0
199.07564	5.4
201.09171	1.0
202.07700	2.3
203.08604	5.1
205.06523	3.2
205.10234	1.1
206.07263	2.8
207.06454	2.3
207.08134	1.9
208.08806	1.6
209.08098	6.0
215.06966	1.4
215.08727	1.2
216.07826	2.2
217.06601	1.9
217.08539	1.0
218.07288	6.4
219.08061	8.1
220.08844	3.1
221.05968	2.3
221.09644	5.0
229.08685	2.5
231.08043	4.5
232.08745	2.2
233.05948	1.7
233.09647	3.7
234.06866	4.0
235.07581	6.3
236.08261	3.2
237.09169	1.8
245.05843	1.7
246.06732	2.7
247.07509	7.7
248.08281	4.8
249.05467	2.0
249.09117	8.3
250.06226	2.0
250.09821	1.2
251.06987	3.9
251.10645	5.7
252.07631	1.2
253.08638	2.3
257.05756	1.1
258.06937	1.5
259.07559	2.2
260.08182	2.3
261.05634	1.6
261.09094	6.2
262.06302	2.2
262.09879	0.9
263.07004	3.4
263.10635	1.1
264.07733	6.2
265.08554	7.9
266.09280	2.0
267.06335	1.2
267.10208	1.0
274.06238	0.9
275.06946	2.9
276.07861	5.3
277.08569	5.7
278.09344	3.6
279.06848	1.8
279.10175	6.6
280.10791	1.0
281.08408	1.9
281.11710	8.8
287.05771	1.1
288.07806	1.3
289.05728	0.9
289.08615	4.7
290.09259	2.2
291.06784	1.9
291.10052	3.9
292.07324	2.3
292.10522	1.1
293.08090	4.3
293.11703	3.2
294.08832	2.7
295.09564	1.5
296.10391	1.3
304.07129	1.4
305.08133	2.0
306.08823	2.7
307.09625	11.9
308.10352	3.6
309.07898	1.5
309.11142	7.9
310.11835	1.8
311.09167	1.6
311.12643	1.8
319.09738	6.4
320.10461	1.7
321.11191	7.9
322.11880	1.2
323.09064	1.3
323.12674	3.5
324.09933	1.6
324.96780	0.9
326.11588	2.2
337.10635	1.9
338.11273	1.1
339.12268	100.0
340.12665	2.6
341.13840	18.9
351.12277	24.0
352.12506	1.7
353.13779	7.8
361.34033	0.9
365.45541	0.9
369.13281	2.9
379.15027	2.2
510.72842	0.8
623.18262	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.1
54.09694	1.3
55.01870	4.3
55.05502	2.2
59.04996	7.1
65.03942	3.0
67.05500	8.0
69.03427	6.4
69.07070	4.2
71.01351	2.6
78.04709	1.7
79.05495	25.8
81.03406	11.2
81.07053	5.4
83.04957	3.2
85.02914	4.3
91.05489	14.8
93.07047	12.2
95.04975	21.5
95.08630	4.1
97.02884	4.6
97.06524	10.7
98.06873	3.2
103.05466	13.1
105.03417	2.4
105.04507	3.1
105.07021	6.0
107.04957	100.0
107.08596	1.6
108.05858	1.8
108.14124	1.5
109.02884	99.1
109.06527	5.9
109.10176	2.6
111.04450	5.1
115.05429	2.2
117.07037	2.4
119.04945	3.0
119.08574	2.1
121.02945	1.6
121.06509	19.2
123.04445	11.1
125.02332	7.8
125.06026	2.4
127.03914	3.4
131.04942	9.7
131.08560	1.5
133.02898	1.9
133.06485	3.7
135.04424	9.8
135.08096	1.9
137.05966	12.0
139.03889	30.8
145.06537	2.4
147.04387	3.7
148.05174	1.7
149.02356	2.1
149.05977	31.8
151.03908	21.1
151.07562	3.7
153.05479	3.2
159.04410	3.5
159.08076	1.8
161.06024	3.1
163.03911	11.2
164.04382	3.6
165.05482	93.8
167.07040	52.4
167.08456	3.1
168.07405	1.9
173.05991	2.2
175.07584	3.0
177.05475	88.0
179.07030	2.6
181.04974	12.4
181.08574	3.9
187.07622	3.2
189.45615	1.5
191.07060	8.5
193.08641	2.7
195.06523	21.1
201.05443	1.6
203.06944	1.7
207.06505	4.8
207.10162	1.7
209.06064	3.5
209.08083	64.7
220.07738	1.4
225.09074	2.2
227.09172	6.4
231.02863	3.1
241.08543	2.7
253.08673	1.8
261.92722	1.7
287.05457	4.1
317.42432	1.5
338.14786	3.4
339.11853	1.8
341.54218	1.8
369.13196	1.6
387.14084	3.5
399.14240	1.9
418.16541	2.0
592.58923	1.9
597.22632	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	597.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.3
55.01874	1.6
55.05506	1.0
59.05001	5.4
67.05498	4.0
69.03427	3.9
69.49227	0.9
69.56733	6.6
71.01346	2.6
71.04963	1.1
72.97427	0.9
73.18037	1.3
77.03902	2.0
79.01888	1.1
79.05494	16.2
81.03416	7.4
83.01331	1.0
83.04991	1.8
85.02914	2.1
87.04475	1.0
91.05486	6.2
93.07035	5.8
95.04967	17.1
97.02889	3.4
99.04424	1.2
99.08784	0.9
103.03956	1.9
103.05460	9.3
104.18196	1.0
105.04504	2.2
105.07034	2.0
106.06643	1.0
107.04956	81.1
109.02879	100.0
109.06543	4.8
111.04457	3.3
121.06503	15.5
123.04425	6.4
125.02347	10.3
125.06004	2.3
127.03918	4.0
131.04939	5.8
133.02895	2.6
133.06456	1.2
135.04430	3.8
137.05978	3.2
139.03897	27.7
139.07533	1.7
141.05542	1.5
145.04970	1.4
147.04370	1.1
149.05978	22.4
151.03908	26.1
153.05472	4.7
159.04419	4.2
165.05475	84.9
167.07025	25.0
175.03815	1.0
177.05473	87.6
178.05801	1.2
181.08563	2.0
183.06526	1.5
191.07068	2.8
193.04919	1.2
195.06509	13.5
209.08092	64.0
227.09180	7.8
284.47833	0.9
303.04993	3.7
339.10797	3.0
549.03912	1.1
551.08636	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.8
53.38390	1.6
55.05493	7.8
57.03432	6.2
67.05503	32.8
69.03423	1.9
69.07059	7.7
69.80369	11.0
71.17848	1.8
79.05488	19.1
81.03421	13.7
81.07056	35.2
83.08614	4.0
85.02914	2.6
91.05458	10.5
93.07041	25.0
95.04973	2.3
95.08599	30.1
97.06533	2.2
98.21435	2.5
98.98467	27.7
99.04418	2.4
103.84520	1.7
105.07018	6.9
107.08617	9.8
109.02879	9.2
109.10135	8.8
117.07004	3.4
119.08556	6.2
121.10149	7.1
123.11711	5.5
131.08551	4.7
133.10146	4.0
135.11671	5.0
145.10103	2.7
147.11723	2.8
149.13281	3.4
155.00977	3.3
159.11864	1.9
161.13268	2.5
163.06068	1.6
171.11621	2.5
173.02034	1.7
179.56221	1.5
243.21086	2.9
261.03607	10.1
261.22043	8.7
287.05481	24.0
317.24600	2.8
335.25793	100.0
336.26035	2.8
579.61438	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.181
Annotation	6,8-Di-C-glucopyranosylnaringenin
Peak:m/z	Relative Intensity
53.75028	5.1
55.01865	6.8
69.56525	41.1
72.89568	4.9
79.05487	9.4
81.03409	6.6
81.07062	6.0
85.02894	43.0
91.05495	10.0
93.03395	15.7
95.04943	11.0
97.02877	16.5
107.04942	41.9
109.02860	15.7
111.04426	10.1
119.04959	14.9
121.02840	18.6
121.06505	9.9
123.04424	8.4
131.04845	6.1
133.06500	7.0
135.04410	23.9
136.68629	6.2
139.03888	5.2
145.06433	11.3
147.04433	30.7
149.06003	6.0
151.03889	7.4
153.01823	8.3
159.04396	13.6
161.05965	13.5
163.03896	13.4
165.01801	13.9
167.07013	21.2
173.05910	12.9
175.04018	6.1
175.07669	6.5
177.01846	23.3
177.05499	16.9
181.04977	17.9
187.03867	15.8
189.01802	26.8
191.03372	22.1
192.60892	5.4
195.02866	34.4
201.01904	7.5
201.05455	13.9
203.03386	18.5
205.01202	5.9
205.04970	8.4
207.02869	57.1
215.03381	15.3
219.02887	88.9
221.04625	6.2
223.02368	8.2
225.03918	22.3
227.03340	8.8
229.04863	17.8
231.02881	61.8
231.06519	10.8
233.04437	25.3
233.08018	11.8
237.03893	21.8
241.04889	6.2
243.02872	26.7
245.04381	10.1
246.94562	5.3
249.03951	24.9
255.02882	11.7
257.04379	9.8
259.02487	12.0
261.03952	100.0
271.05960	15.5
273.03964	49.5
275.05545	6.9
285.03928	42.2
291.04907	22.0
297.03922	17.6
297.07306	11.3
299.05487	9.7
303.04990	43.3
309.03937	9.3
309.07556	7.9
315.05011	9.6
321.05887	28.8
323.05344	7.5
327.04974	52.7
327.08539	16.8
339.07715	48.6
345.05865	11.3
351.08655	19.0
357.05914	11.1
363.07199	41.7
381.09616	34.2
387.07135	13.9
393.09528	41.1
405.08481	45.0
411.10739	23.1
417.09927	6.8
417.15222	13.5
423.09824	27.9
429.11829	30.1
441.10999	48.6
447.10480	27.8
459.12930	34.0
465.11679	12.7
468.68713	5.7
477.11960	9.5
483.12955	14.7
495.12830	13.4
507.12946	7.4
525.14026	8.7
543.14594	7.8
597.23224	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	595.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.8
55.01855	1.5
55.49151	0.6
56.09803	0.5
57.03419	0.6
65.03942	4.9
67.05490	2.0
69.03403	2.4
69.20176	2.7
69.20603	4.8
70.06587	1.2
77.03933	0.9
78.04706	0.7
79.05493	6.5
81.03394	2.0
81.07075	0.6
82.04189	1.0
83.04998	0.8
83.08711	0.6
85.02903	3.5
86.09693	0.9
89.03900	1.6
91.05486	14.9
92.06236	2.7
93.03391	1.5
95.04979	3.1
95.05511	0.7
97.06533	2.2
98.21484	1.3
103.05453	2.9
105.03370	1.7
105.07014	3.0
106.04153	0.7
107.04955	24.0
109.02837	1.6
109.96992	0.6
110.03646	1.8
111.04425	3.0
115.05452	5.3
117.03375	1.9
117.06992	4.1
118.04147	0.8
119.04952	6.1
119.08549	0.7
120.05725	4.6
121.02866	1.1
121.06497	2.7
122.03601	1.2
123.04438	3.7
124.05178	1.5
125.05965	2.9
128.06209	1.2
129.07004	1.3
131.04913	5.8
131.08556	1.0
132.05687	1.1
133.02866	1.4
133.06456	4.5
134.03555	0.7
135.04402	7.4
137.05974	9.8
138.03116	1.5
139.03893	0.9
141.06952	0.9
142.02592	2.5
143.04919	1.1
144.05719	1.5
145.02776	1.5
145.06482	6.3
147.04376	6.1
147.08046	2.7
148.05205	8.1
149.05940	2.1
151.03891	2.7
151.07549	2.1
152.04640	0.8
153.01807	0.7
153.05496	3.4
154.06209	1.5
155.05974	0.8
157.06480	1.9
158.07254	1.5
159.04388	1.8
159.08089	1.9
160.05170	1.7
161.05983	7.1
163.02599	0.8
163.03909	11.9
163.07538	1.5
164.07054	0.8
165.05486	19.6
165.06877	1.4
167.07034	40.7
169.06529	1.0
171.06566	4.2
173.05992	5.1
174.06636	1.1
175.07523	3.5
177.05455	4.3
178.06252	1.0
179.07008	2.9
180.07703	1.0
181.04950	94.6
182.05232	1.5
185.05977	1.1
186.06726	0.8
187.07542	1.7
188.08321	1.1
189.05455	2.2
189.09076	1.6
190.06267	1.2
191.07019	2.7
192.07764	0.9
193.08658	1.0
197.06186	0.7
200.04800	0.9
201.05472	2.0
202.06207	1.1
203.07036	2.1
205.04961	2.0
205.08583	7.6
207.06529	0.8
208.07211	1.4
209.08052	1.5
213.05553	0.9
214.06241	1.1
215.07021	2.4
217.08586	2.0
219.06509	1.2
219.10291	0.8
220.07323	8.0
221.08109	3.6
231.06406	0.8
233.08084	2.9
234.06876	0.8
234.08917	2.9
235.09619	7.2
241.08713	0.9
258.05182	0.7
259.09644	3.4
263.06915	0.7
265.08649	1.5
271.06128	1.0
277.08490	0.9
279.10217	1.3
286.04724	2.4
287.05505	19.7
290.05585	0.9
291.09952	1.0
295.09683	0.7
299.09140	0.9
301.07062	9.6
307.09534	0.9
309.11163	0.7
317.10272	0.8
319.08127	2.0
337.10638	0.8
339.12338	1.5
340.12866	0.9
355.11755	4.0
357.13358	1.0
359.11331	1.7
367.11707	1.5
368.12662	1.6
369.13025	1.2
370.14081	1.6
373.12930	2.0
385.12833	19.9
386.13226	0.8
387.14352	2.2
397.12823	1.3
398.13593	11.0
400.11295	0.8
401.12094	1.9
411.14325	0.8
415.13882	10.9
416.14636	100.0
417.15381	4.9
430.12592	5.0
463.12338	1.5
565.20386	1.8
595.21649	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	595.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.0
55.01863	1.4
56.01843	0.7
56.20486	0.8
57.03411	0.9
59.56944	0.7
62.69067	0.7
65.03938	4.8
66.19995	0.7
67.05492	2.6
69.03410	3.2
69.48404	5.8
71.04947	1.0
79.05492	9.7
81.03408	1.5
81.07043	1.0
82.04194	2.0
85.02912	6.9
91.05470	1.5
93.03397	1.8
95.04967	6.4
97.02888	2.3
97.06526	1.4
103.05465	1.5
105.04496	1.1
105.07026	7.9
107.04957	29.3
108.02063	1.2
109.02873	8.1
109.06505	1.8
110.03652	2.9
111.04439	1.4
115.05453	2.3
117.07037	1.6
121.02837	1.5
121.06490	1.8
122.03658	0.8
123.04408	4.9
124.05194	3.0
125.02343	2.9
125.05992	4.4
130.51830	0.7
131.04932	1.2
133.06506	7.8
135.04427	1.3
137.06000	3.8
138.03087	2.1
140.04625	1.4
142.02602	2.3
143.05988	0.8
145.06464	3.0
149.05975	2.4
151.03899	4.3
151.07550	1.0
152.04686	1.7
153.05457	1.8
155.07025	2.3
161.05978	10.7
162.06662	0.8
163.03946	0.8
163.07463	1.0
165.09149	1.7
167.07034	33.5
171.06554	5.5
173.06007	2.3
177.05478	5.6
179.07083	0.7
181.04953	100.0
183.06580	2.3
189.05489	1.2
191.06970	1.2
192.79945	0.8
193.08595	17.0
195.06512	0.8
201.05476	1.3
203.10794	0.8
205.08592	1.8
206.05717	2.1
207.06468	1.4
219.08041	0.8
221.08087	32.0
233.08118	8.2
249.07596	11.4
249.75829	0.7
251.09222	1.3
261.07626	3.2
279.08627	1.1
295.06003	1.9
307.05969	1.0
309.07718	0.7
313.39832	0.7
325.07028	1.7
337.07047	1.4
341.10031	1.4
351.08737	1.0
363.14481	1.3
372.12054	1.4
373.12665	1.7
387.14191	1.2
389.15878	1.7
403.13873	71.1
415.13791	17.3
415.18878	0.9
421.08670	0.9
433.15002	14.5
457.11197	1.4
565.19067	8.8
595.20166	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.3
55.01847	1.5
65.03944	5.9
67.05485	3.3
69.03417	2.3
71.36346	2.0
79.05499	5.8
79.83141	0.9
81.03432	1.6
81.07032	1.0
82.04195	1.6
85.02909	5.0
90.91241	0.8
91.05479	16.8
92.06255	1.7
93.03427	1.3
95.04969	3.5
97.02879	1.0
97.06535	3.1
97.55433	0.8
103.05480	4.2
105.03389	1.9
105.07023	3.2
107.04952	24.4
107.08564	1.7
110.03674	2.5
111.04446	2.0
115.05447	5.1
117.06995	5.8
118.04195	1.0
119.04965	6.3
119.08578	1.2
119.77844	0.8
120.05744	4.8
121.06482	3.8
122.03645	1.3
123.04420	3.3
124.05228	1.0
125.05983	2.7
128.06207	1.1
128.81302	0.8
129.06996	1.8
131.04913	5.4
133.02824	2.9
133.06490	5.2
135.04396	6.0
135.07962	1.0
137.05972	11.3
138.03140	1.3
139.03870	0.9
139.06499	0.8
142.02602	2.2
143.04918	1.5
144.05664	0.9
145.06482	7.0
147.04405	9.4
147.08044	2.1
148.05191	9.4
149.05943	3.0
151.03880	3.9
151.07521	2.7
153.05455	3.4
154.06149	1.2
156.01756	0.8
157.06465	1.9
158.07190	1.6
159.04398	1.5
159.08009	1.6
160.05116	1.0
161.06017	7.1
161.09650	0.9
163.03918	6.0
165.05496	18.8
167.07042	32.3
167.08466	1.8
168.07584	1.0
171.06509	3.7
172.05217	1.2
173.05977	6.9
174.06657	1.0
175.07547	4.4
177.05423	3.5
179.03383	1.2
179.06946	1.7
181.04951	100.0
182.05386	0.9
189.05458	1.4
189.09096	2.3
190.06314	2.0
191.06995	3.9
193.04900	2.1
193.08412	1.8
195.06535	1.0
195.55423	0.9
201.05386	2.3
202.06119	1.1
203.06972	3.4
205.04942	2.7
205.08566	6.3
207.06415	1.2
208.07237	1.6
209.08098	1.5
213.05432	1.3
213.09157	1.0
214.06168	1.2
215.06952	1.2
217.08536	1.1
219.06493	1.3
220.07283	9.9
221.08081	3.8
226.08324	1.1
231.06432	1.5
233.08076	3.3
234.08871	1.7
235.09619	7.8
237.24948	0.9
239.07062	2.0
265.08588	1.2
271.05856	1.1
276.07773	1.3
277.08508	1.2
279.10037	1.3
285.07578	2.3
286.01425	0.8
286.04727	2.1
286.07773	1.4
287.05438	11.8
287.08234	1.6
291.10022	2.7
299.09085	1.0
301.07126	7.3
307.09470	1.5
309.11343	1.4
311.12646	1.0
317.10101	1.0
319.09521	1.0
325.10745	1.4
326.61307	0.9
335.09253	1.0
337.10538	1.2
351.12393	1.0
355.11697	3.5
368.12601	1.2
369.13229	1.4
373.12317	1.4
385.12805	19.5
386.13016	1.5
397.12686	1.9
398.13544	11.0
401.12222	2.6
415.13956	9.2
416.14642	94.7
417.15436	5.5
430.12549	6.5
451.71573	0.9
463.12155	1.3
540.15869	0.9
547.19312	0.9
565.20508	1.3
595.21960	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	595.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	3.5
61.02906	2.9
69.03416	2.0
70.38113	4.3
70.38438	2.1
71.45592	1.7
73.02898	1.7
76.66616	1.7
79.05521	1.7
81.03436	2.3
85.02906	8.1
103.03928	2.6
107.04987	2.2
109.02861	3.5
119.04958	10.5
121.02863	45.2
123.35621	1.7
131.04942	2.2
136.79694	1.9
139.03899	2.2
145.02812	5.4
151.03938	2.7
163.03877	3.1
165.01935	1.6
171.04552	2.1
173.02342	2.0
173.05951	1.7
176.00974	1.8
177.01865	3.8
177.05426	1.7
187.03844	2.6
189.01781	9.5
191.03371	6.6
195.02863	7.9
201.05424	1.8
203.03458	9.7
205.05006	3.9
207.02879	10.8
211.04063	1.9
215.03424	3.1
217.04964	5.2
219.02885	5.6
221.04428	2.7
229.05064	5.4
231.02899	3.0
233.04491	2.3
241.04834	2.5
243.02863	1.9
255.02798	2.2
257.04376	3.1
267.06500	3.0
268.07306	5.4
271.06085	2.6
273.04050	1.8
279.06427	5.0
280.07251	2.6
281.04541	3.2
281.08035	6.9
282.05206	1.7
283.03110	2.2
283.05911	11.2
285.03833	3.8
291.06387	2.7
293.08112	4.9
294.05243	20.0
294.08414	2.8
295.06015	82.3
295.09381	4.5
296.06735	8.8
297.07507	9.8
301.07483	2.1
307.06000	49.8
308.06845	18.3
309.07498	12.0
313.07004	4.2
319.06033	7.1
320.06680	4.6
321.07578	24.6
322.08426	12.0
323.05524	2.1
323.09027	3.8
325.07047	96.2
326.07468	2.7
333.07379	8.5
335.05539	3.0
335.09116	14.8
336.06247	3.2
337.07013	57.7
339.08636	2.9
345.07556	3.9
347.09235	13.6
349.06995	28.6
349.10916	2.4
351.04895	2.3
351.08679	20.8
355.08121	21.2
357.07654	2.9
361.07013	20.8
363.08286	5.6
365.06250	2.6
365.10159	12.3
367.07919	4.6
373.06958	5.9
375.08630	10.0
379.08124	53.0
385.07108	4.5
387.08493	2.6
389.10056	3.3
391.08084	26.4
401.10172	4.0
403.08047	23.3
409.09174	46.9
415.08920	2.2
421.09192	24.9
427.10229	41.6
433.09198	6.0
439.10239	29.5
445.09583	6.9
457.11304	100.0
458.11441	2.6
463.10138	6.5
475.12375	19.0
481.11356	29.4
487.10077	2.7
493.10910	2.9
499.12308	21.9
505.11517	9.0
511.12228	26.2
523.12372	22.7
529.13153	7.6
541.13446	27.4
559.14502	23.1
577.15082	9.8
594.59857	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1656
Annotation	Rhamnocitrin 3-lathyroside
Peak:m/z	Relative Intensity
53.03936	0.3
54.03880	0.2
54.83287	0.2
57.03418	0.3
65.03934	0.6
67.00393	0.2
67.05500	0.3
69.03429	1.3
69.53949	0.2
73.02903	0.5
79.05485	0.7
84.04527	0.2
85.02911	1.1
87.04470	0.6
91.05460	1.2
95.04957	0.7
97.02892	0.8
97.06535	0.5
100.07445	0.2
103.05433	0.3
105.07033	0.4
107.04951	1.8
111.04458	0.3
115.03974	0.3
115.05454	0.4
117.07004	0.4
120.05704	0.2
123.04404	0.6
131.04922	0.4
133.06499	0.7
135.04449	0.6
137.06020	1.1
145.06543	0.6
147.04437	0.4
148.05104	0.3
151.03885	0.6
151.07448	0.4
153.01782	0.6
157.06544	0.2
161.06021	1.1
163.03908	0.3
165.05435	1.0
167.07014	3.0
171.06529	0.7
173.05981	0.5
177.05458	0.3
179.07077	0.3
181.04955	8.7
191.07072	0.4
193.08540	0.6
201.05423	0.3
205.08585	0.6
209.07906	0.3
215.06944	0.4
220.07359	0.4
221.08049	1.0
233.05869	0.3
233.08072	0.6
235.09593	0.3
245.07886	0.3
247.07407	0.3
249.07602	0.5
258.05234	7.9
259.05679	0.3
271.05972	0.7
286.04697	28.4
287.05435	4.6
291.60370	0.2
301.07047	100.0
302.07413	1.4
330.25150	0.3
343.08115	0.7
355.11618	0.3
369.13013	0.5
385.12860	1.0
398.13385	0.5
403.13803	2.4
415.13727	0.8
416.14621	4.7
432.33649	0.3
433.10611	0.4
437.14746	0.3
455.88071	0.3
463.12308	12.0
565.18793	0.4
595.21149	1.4
595.30481	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1657
Annotation	Apigenin 7-cellobioside
Peak:m/z	Relative Intensity
55.01863	0.2
55.31268	0.1
59.90578	0.1
67.01834	0.3
70.36131	0.4
70.36513	0.2
71.04092	0.1
75.67047	0.1
79.05488	0.2
81.03387	0.2
85.02892	0.3
91.05449	0.2
95.04939	0.2
103.05364	0.1
107.04935	0.3
109.02905	0.1
111.04420	0.1
119.04947	1.2
121.02838	0.6
125.02295	0.1
142.48447	0.1
145.02763	0.3
151.03896	0.1
153.01833	2.4
163.03883	0.3
167.07007	0.5
171.02901	0.3
181.04935	0.5
187.03870	0.1
191.03325	0.1
203.03218	0.2
207.02740	0.1
219.02888	0.1
225.05373	0.2
229.04918	0.2
243.06519	0.3
271.06012	100.0
272.06360	1.2
283.06177	0.2
287.05551	0.7
294.05356	0.2
295.06033	0.7
307.06094	0.4
308.06998	0.1
321.07474	0.2
322.08588	0.2
325.07147	1.0
335.09433	0.2
337.07138	0.5
349.07053	0.3
355.07977	0.2
379.08218	0.5
409.09222	0.4
415.13965	0.3
421.08871	0.2
427.10202	0.3
433.11325	22.1
434.11572	0.4
439.10190	0.2
457.11322	0.7
475.12390	0.2
481.11160	0.3
499.12442	0.2
511.12790	0.2
523.12335	0.3
541.13544	0.2
559.13904	0.2
577.15485	0.2
595.16083	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1654
Annotation	Datiscin
Peak:m/z	Relative Intensity
53.76725	0.1
67.01860	0.5
68.75263	0.1
68.99798	0.3
69.00159	0.1
70.83546	0.3
70.83856	0.1
71.05001	0.8
79.31211	0.1
85.02909	1.1
86.25083	0.1
89.03909	0.2
107.04909	0.2
109.50204	0.1
118.30921	0.1
129.01797	0.2
129.05492	0.3
135.04417	2.1
137.02350	0.6
147.06560	0.1
153.01822	5.4
161.02400	0.8
171.02892	0.6
179.03394	0.2
192.89267	0.1
203.03334	0.1
213.05446	0.2
241.04955	0.6
245.04478	0.2
269.04376	0.6
271.05991	1.1
271.30841	0.1
287.05487	100.0
288.05783	1.4
296.08575	0.1
449.10837	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1653
Annotation	Rhamnocitrin 3-lathyroside
Peak:m/z	Relative Intensity
61.02883	0.2
63.69978	0.1
69.03404	0.2
69.33860	0.2
69.34264	1.0
73.02920	1.9
81.07071	0.2
85.02845	0.4
96.83981	0.1
97.02849	0.2
98.20791	0.2
115.03896	0.3
123.51610	0.1
149.05959	0.2
153.01794	0.5
163.85797	0.1
175.03769	0.2
258.05228	9.1
259.05719	0.2
286.04706	33.7
287.05240	1.1
301.07047	100.0
302.07397	2.0
433.11438	0.2
463.12338	19.6
464.12549	0.6
506.73456	0.1
595.17163	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1653
Annotation	kaempferol-3-O-rutinoside
Peak:m/z	Relative Intensity
55.05501	0.1
57.03435	0.5
67.01855	0.3
68.99800	0.3
69.03420	0.1
69.03784	0.1
69.21256	0.9
71.04990	3.5
72.47355	0.1
72.47809	0.1
73.02954	0.1
73.03361	0.1
73.49000	0.1
75.04488	0.1
83.04976	0.1
85.02901	3.9
87.04469	0.2
89.03912	0.1
93.52946	0.1
95.85933	0.1
105.06974	0.1
107.52245	0.1
117.03410	0.2
127.03955	0.1
129.05463	0.8
135.04410	1.2
137.02359	0.5
153.01820	3.8
158.73045	0.1
161.02341	0.5
171.02939	0.5
171.04262	0.1
179.03397	0.3
185.74483	0.1
189.73349	0.1
213.05562	0.1
219.06564	0.1
241.04927	0.5
245.04492	0.1
263.05368	0.1
269.04410	0.4
271.05975	0.2
287.05481	100.0
288.05841	1.5
377.01129	0.1
449.10788	11.1
450.11127	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1652
Annotation	6-C-Glucopyranosyl-8-C-galactopyranosylapigenin
Peak:m/z	Relative Intensity
57.03407	3.2
66.97051	1.8
70.63662	6.5
80.45135	1.8
85.02897	6.5
91.05456	2.3
93.03394	2.1
103.03926	3.9
107.04976	2.7
109.02898	2.3
119.04948	3.6
121.02863	29.6
121.35136	1.8
127.16949	1.8
145.02808	3.2
161.02335	2.1
189.01819	7.6
191.03392	4.8
193.73073	1.9
195.02893	5.3
203.03299	8.5
205.04858	2.1
207.02847	6.2
213.05508	2.1
217.05037	5.5
219.02850	4.3
221.04497	4.0
227.03477	2.3
229.04904	2.4
231.02907	3.5
233.04474	3.8
243.02788	2.6
257.04437	4.1
268.07190	5.6
279.06461	3.3
281.07993	4.5
283.05960	7.7
293.07925	3.0
294.05209	20.2
295.05997	80.1
296.06689	6.3
297.07507	8.2
307.05957	50.1
307.09055	2.0
308.06729	15.6
309.07428	15.5
313.06992	5.2
317.08011	2.5
319.05966	4.7
320.06754	4.5
321.07605	26.1
322.08331	12.9
323.05585	2.7
323.09039	6.1
325.07053	100.0
326.07446	3.8
333.07562	9.1
335.05600	3.1
335.09064	17.9
336.06085	4.5
336.09912	2.3
337.07001	72.1
339.08411	2.5
345.07532	3.6
347.05273	2.6
347.09094	14.4
349.07074	39.1
350.07645	2.5
351.04510	2.8
351.08578	27.8
355.08167	22.5
357.07568	3.0
361.06940	19.8
361.10645	2.9
363.08527	7.4
365.10342	14.1
367.08041	4.8
373.06985	8.5
374.07568	3.1
375.08511	12.3
379.08124	62.3
385.06934	3.7
387.08505	2.7
389.10272	2.4
391.08099	35.0
393.09549	4.1
401.10110	2.9
403.07922	30.7
409.09137	50.8
413.10507	2.7
415.08463	3.5
417.09924	2.5
421.09106	26.9
427.10239	42.8
433.09210	2.8
439.10324	31.0
445.10092	5.8
447.51514	2.0
457.11313	89.4
458.10938	3.5
463.09955	6.4
475.12173	17.2
481.11279	30.0
487.10175	4.0
493.11154	3.2
499.12540	16.6
505.11029	9.0
511.12320	23.0
523.12299	25.4
529.13263	8.2
541.13269	27.7
559.14441	22.2
577.15411	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	594.3552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	0.3
57.07064	0.2
61.54689	0.2
67.05492	0.7
70.22141	0.5
70.22526	0.5
79.05479	0.2
80.04993	0.3
81.07034	0.7
83.08551	0.3
86.00161	0.2
88.07609	0.5
93.07037	0.3
95.08625	0.5
98.98461	4.4
105.07037	0.5
107.08564	0.3
107.89661	0.2
109.65668	0.2
111.80493	0.2
112.94510	0.2
117.05747	0.3
118.06528	1.3
119.07317	0.8
119.95883	0.2
124.99998	13.4
130.06506	0.3
132.08060	0.3
134.09653	13.7
143.01027	0.4
144.08081	6.4
145.08876	3.3
160.11211	86.1
161.11534	1.3
178.12283	5.5
184.62270	0.2
235.18478	0.2
256.26251	0.6
258.08902	100.0
259.09299	1.2
259.16980	0.4
287.05582	1.0
300.29007	0.3
332.12482	0.3
424.28296	0.2
576.34766	1.0
576.45905	1.0
587.31189	0.2
594.36005	1.3
594.46967	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2754
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
69.38818	4.4
81.88814	0.4
82.21671	0.5
93.83076	0.5
98.21154	2.3
389.17725	1.6
401.17401	0.6
402.18021	1.0
403.19196	2.0
405.20776	1.7
416.20346	0.9
417.16345	1.1
417.21524	2.5
418.21716	1.4
419.22241	3.5
430.18036	1.2
431.18271	7.7
432.19415	1.9
433.24194	4.9
434.24591	0.6
445.19904	7.0
446.21054	4.8
447.21686	4.7
459.20966	2.7
460.22635	10.8
461.23315	8.6
473.23404	2.2
487.24716	1.5
491.24673	1.2
492.25504	1.1
505.21893	5.0
518.22839	0.7
519.23438	0.7
533.25421	25.7
534.26013	0.6
564.23779	0.8
593.27551	100.0
594.27960	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	593.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	2.1
57.03442	1.3
57.07062	1.9
62.20506	0.5
67.05492	3.7
69.07057	1.0
71.08604	1.1
73.88166	0.6
79.05486	0.7
81.07052	1.7
83.08604	1.1
85.10163	0.8
91.05531	0.6
93.00159	0.7
95.08598	1.3
97.10172	1.3
98.21149	3.9
109.10159	1.8
125.09650	0.7
210.03476	0.6
218.90758	0.7
229.14330	1.8
230.14659	0.6
253.08279	0.6
313.27252	3.9
314.27777	1.6
380.63788	0.6
389.17719	1.4
402.18707	1.3
403.19287	4.5
404.20068	0.8
405.20758	1.9
416.20438	1.5
417.16431	1.6
417.21445	5.2
418.21960	3.3
419.22208	4.7
430.17609	1.4
431.18256	12.6
431.23431	0.8
432.18646	3.1
433.24155	9.0
434.25098	1.5
444.19345	0.9
445.19901	13.8
446.20703	7.4
447.21741	6.8
459.21503	5.1
460.22565	19.1
461.23300	19.4
468.37741	0.8
473.23529	3.8
474.24045	1.6
476.26022	1.1
477.22296	1.2
487.24860	1.1
491.24951	1.2
492.25186	1.4
505.21854	7.1
518.22864	1.2
519.24078	0.7
533.25494	61.5
534.25818	2.1
565.28113	1.5
593.27576	100.0
594.27795	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	591.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14633	0.1
53.08663	0.1
55.05490	0.3
56.65267	0.1
62.81907	0.2
65.03899	0.2
67.05481	0.3
69.03415	0.3
72.08149	0.1
72.85023	0.1
79.05473	0.2
81.03384	0.4
81.07047	0.2
83.04971	0.2
84.24676	0.1
85.02906	0.2
91.05455	0.4
92.60192	0.2
95.04926	0.2
97.02875	0.3
101.05992	0.5
103.05476	0.2
105.07062	0.2
109.02891	0.3
111.04426	0.5
121.06573	0.2
127.03868	0.2
129.05446	0.5
132.05753	0.2
133.06458	0.2
135.04411	0.2
137.05965	0.4
147.06445	0.3
149.05925	0.3
150.65634	0.2
151.03915	0.3
151.74107	0.1
153.01823	0.8
161.05952	0.2
163.03900	0.3
163.07628	0.2
165.05420	0.2
167.07011	0.5
171.02856	0.2
174.73297	0.2
175.03856	0.3
175.07600	0.2
189.05435	0.2
229.04974	0.2
233.58321	0.2
250.90031	0.1
258.05237	13.0
259.05579	0.2
273.09827	0.2
286.04709	36.1
287.05231	0.6
301.07053	100.0
302.07355	1.8
303.07675	0.2
429.11624	0.2
573.18927	0.2
591.16370	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.4982
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.9
53.05611	2.0
55.05512	17.6
57.03432	14.6
57.07077	46.6
59.83075	2.7
60.48983	2.3
64.93481	2.2
65.03962	2.6
67.05141	3.1
67.05506	60.6
69.07056	15.4
69.31763	22.7
71.08630	28.0
72.44590	3.2
74.61391	2.3
79.05483	30.1
81.06598	4.6
81.07060	73.5
83.08625	18.3
85.10182	15.3
91.05486	17.3
93.07043	45.5
95.04958	4.1
95.08603	58.2
97.10155	7.8
105.07029	13.0
107.08588	28.5
109.10162	29.7
117.06996	7.7
119.08604	10.1
121.10145	27.3
123.11723	14.2
131.08568	11.5
133.10106	9.0
135.11713	20.6
137.13292	5.1
145.10118	11.9
147.11661	7.9
149.13235	15.8
159.11687	8.1
161.13264	5.9
163.14766	7.4
173.13243	8.9
175.14871	4.5
183.47433	2.4
184.07478	2.9
187.14841	3.8
194.06587	2.3
199.48413	2.0
201.16342	2.7
208.50432	3.2
233.22687	4.3
239.23672	4.3
243.21040	13.9
261.22113	61.4
279.23224	3.1
313.27368	100.0
314.27518	3.5
317.24673	10.3
335.25803	56.5
573.48724	20.1
591.49237	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	590.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.1
55.01857	3.0
56.05003	1.6
57.03435	3.8
61.02918	8.2
66.73324	1.2
67.05491	4.9
68.05051	2.1
69.03429	19.5
71.01334	1.4
71.04975	1.7
71.30740	1.2
71.31088	2.9
73.02902	3.0
79.05478	8.2
80.05023	1.2
81.03435	11.0
81.07037	3.1
82.06580	1.5
83.01336	1.3
83.04968	1.5
84.04501	9.2
85.02908	34.5
87.04466	3.8
91.03932	2.3
91.05508	2.1
93.06998	2.2
95.04966	19.0
96.04504	7.9
97.02880	15.4
98.97605	1.5
99.04442	2.5
102.05551	4.9
102.82008	1.2
103.05453	3.2
105.03416	3.1
106.06552	1.8
107.04956	18.6
107.48827	1.4
109.02875	10.7
109.06499	3.0
110.06040	4.9
111.04442	4.2
112.03929	1.8
118.06496	2.1
120.04533	1.6
121.06497	3.9
122.06033	1.3
123.04425	11.2
124.03934	3.7
125.02385	4.1
126.05514	1.8
127.03918	7.9
128.03448	14.9
128.07069	10.7
131.04910	1.9
131.58490	1.4
133.02870	2.1
135.04410	3.0
136.03926	2.4
137.05981	3.0
138.05461	8.0
139.03893	16.3
141.05457	6.5
141.08383	1.4
142.04991	5.2
145.04942	5.1
147.77898	1.2
148.03941	2.2
149.05983	4.2
151.03908	14.5
154.05000	19.9
156.06549	52.2
156.07837	3.0
165.05473	67.6
166.05040	4.7
167.07010	3.3
174.07628	1.9
177.05470	7.4
178.05023	3.0
180.06517	4.8
181.04951	2.6
183.06520	3.2
184.06042	8.4
190.08820	1.4
192.06541	1.8
195.06548	2.4
196.06033	1.5
200.18843	1.2
202.07091	52.0
203.33281	1.2
206.04539	1.8
206.08096	4.1
206.37973	1.2
208.06006	2.2
208.09724	8.8
209.08093	10.0
220.06148	2.5
220.08084	9.8
228.08693	6.4
230.06621	5.2
236.05527	5.6
236.09090	2.1
238.07118	4.5
246.09767	19.4
274.09265	1.6
276.08716	1.9
298.09482	3.0
298.12714	12.1
304.08218	1.6
308.11285	2.6
326.08649	15.1
326.12329	30.3
336.10922	6.6
340.10345	1.7
347.29245	1.4
358.11371	7.5
360.10754	1.5
378.11780	2.6
378.40256	1.5
381.97302	1.8
392.13297	1.5
396.12860	28.0
406.58621	1.6
410.14371	15.6
428.15503	100.0
557.45422	1.6
558.17743	1.8
572.19788	2.8
590.20697	32.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.4823
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	18.4
55.86891	4.1
57.03430	10.7
57.07076	44.8
58.91731	3.6
67.05502	48.6
69.07065	17.4
69.07376	3.4
71.08637	34.2
71.50727	3.3
71.51097	3.8
77.58441	3.4
79.05497	21.5
81.03419	4.1
81.07056	49.8
83.04968	3.5
83.08616	17.5
85.10169	15.2
91.05475	40.0
93.07051	31.9
95.04967	6.5
95.08598	48.7
97.10181	5.6
99.08107	9.1
102.58347	3.3
105.07025	37.8
106.44815	3.2
107.08601	23.2
109.10156	22.2
117.07001	11.8
119.08575	40.0
121.10121	14.2
123.11690	6.6
129.07021	4.7
131.08577	15.2
133.10106	29.4
135.11641	15.9
143.08572	4.1
145.10117	13.0
147.11700	32.5
149.13264	11.3
151.11140	5.0
157.10133	6.0
159.11638	11.9
161.13269	28.9
163.11154	5.2
171.11707	9.9
173.13219	8.3
175.14822	11.7
185.13239	7.5
187.14828	4.1
199.14813	7.2
231.21104	4.5
239.23798	5.9
241.19498	32.4
258.00552	4.1
259.20581	59.6
277.21573	9.8
294.53546	3.5
313.27359	100.0
315.23105	8.7
333.24197	43.9
351.25070	4.9
406.56781	3.7
476.75333	3.8
571.46808	9.0
589.48236	27.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.3656
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47523	0.2
55.45766	0.2
56.05031	0.8
56.68560	0.2
57.89588	0.2
58.06355	0.2
58.06616	0.6
59.07403	0.2
60.08160	6.5
67.05483	0.4
67.65915	0.2
69.07057	0.3
69.39065	0.4
69.39471	1.3
70.06602	0.2
70.15482	0.2
71.07368	3.1
73.80221	0.2
79.05457	0.2
81.07048	0.5
86.09701	31.7
87.10028	0.2
89.10436	0.2
91.05495	0.3
95.08596	0.3
98.98459	3.0
104.10728	3.4
109.17324	0.2
117.28311	0.2
119.47532	0.2
124.99997	21.2
143.00981	0.3
184.07329	100.0
205.31644	0.2
206.25682	0.2
219.82321	0.2
221.22696	0.2
407.83356	0.2
570.35272	1.0
588.36548	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	589.4827
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53342	2.8
55.05512	22.5
57.03433	13.6
57.07076	52.5
58.44241	2.7
65.31593	2.1
67.05184	3.6
67.05506	46.0
69.07071	18.4
69.83671	13.4
71.04995	4.0
71.08630	38.2
74.23412	2.5
79.05486	33.6
81.06593	4.1
81.07054	57.7
83.04971	2.9
83.08614	19.4
85.06526	2.5
85.10174	20.3
90.81464	2.3
91.05482	52.4
93.07040	48.2
95.04984	5.9
95.08611	52.2
97.06532	3.5
97.10177	9.9
98.21473	5.1
99.08091	4.9
105.06337	2.8
105.07027	56.9
107.08593	27.3
109.06516	2.8
109.10141	18.6
117.07018	11.2
119.08591	50.3
121.10166	24.0
123.11697	8.4
129.07007	11.0
131.08557	22.9
133.10132	47.0
135.11674	17.4
137.13237	4.3
143.08548	8.4
145.10127	17.6
147.11688	49.8
149.13289	9.9
157.10136	6.2
159.11719	15.3
161.13249	40.8
163.11116	3.2
171.11710	15.3
173.13228	13.6
175.14775	22.3
185.13274	14.3
187.14778	4.3
199.14825	4.8
205.15926	2.6
213.16396	2.5
231.21094	11.4
239.23677	5.0
241.19485	45.8
259.20578	90.3
275.20172	3.1
277.21548	5.5
302.12628	3.0
313.27365	100.0
315.23047	4.8
333.24219	48.1
351.25067	3.4
374.19199	2.8
571.47125	9.5
589.48303	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.366
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88067	0.2
55.05507	0.3
56.05032	0.6
57.02817	0.2
58.06629	0.5
60.08163	6.5
67.05515	0.4
69.87001	1.0
71.07368	2.7
72.48886	0.2
74.15599	0.2
74.47537	0.2
79.05482	0.3
81.07056	0.5
86.09705	31.8
91.05450	0.2
93.06997	0.2
95.04977	0.2
95.08589	0.3
98.98463	3.2
98.99062	0.3
104.10735	2.8
104.86074	0.2
105.07059	0.3
119.08577	0.3
123.08049	0.2
125.00002	19.5
143.01088	0.3
155.83467	0.2
179.14357	0.3
179.18225	0.2
184.07338	100.0
185.07611	0.8
189.11029	0.2
291.19370	0.3
304.96063	0.2
412.77176	0.2
570.35632	0.9
588.28839	0.2
588.36792	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	588.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27964	3.5
51.07671	3.1
53.03934	3.8
55.01863	6.6
57.03424	6.7
62.00363	3.2
65.07002	3.1
69.03437	16.9
71.51038	5.4
79.05493	9.3
81.03416	9.5
85.02895	21.0
86.09707	4.2
87.04457	3.8
91.03921	3.0
91.05474	20.4
93.07039	4.5
95.04970	9.9
97.02895	9.0
97.09469	3.1
99.04388	3.4
103.05467	25.6
105.07043	18.1
106.04169	4.5
107.04964	48.1
109.02871	6.5
109.06513	4.4
111.04428	4.3
114.06659	18.6
115.05413	4.2
119.04933	9.3
120.48868	3.5
121.06506	15.0
123.04443	6.1
127.03951	8.6
129.07021	6.5
131.04919	23.3
132.05721	6.4
133.02859	5.6
133.06494	20.9
133.10033	3.8
135.04417	3.9
135.08057	12.0
137.06000	29.3
145.06467	5.8
146.07253	4.5
148.05121	4.7
149.06058	19.9
149.07086	4.2
151.03841	4.3
151.07520	18.3
161.05972	100.0
161.09633	24.1
163.03908	4.8
163.07545	62.3
165.05505	16.2
165.09088	6.9
166.06238	4.0
167.07042	64.9
173.05890	3.8
174.06795	4.7
175.07562	11.1
177.05469	18.2
179.06999	22.2
180.07765	22.0
181.08589	34.1
182.09305	3.8
189.05473	4.8
189.09116	66.2
191.07043	26.6
192.07813	9.7
193.08565	12.4
200.10300	37.9
207.06642	6.8
207.10158	96.9
209.08131	27.8
209.09851	4.9
219.10176	6.7
229.14339	8.2
269.39847	3.6
273.11078	4.3
275.08810	4.2
275.71887	3.4
283.09787	4.6
283.13080	4.9
285.11127	4.4
291.12155	5.7
315.12308	4.3
317.13602	3.7
341.12277	7.0
343.15488	10.7
361.16449	99.3
373.16696	6.0
408.17548	4.6
495.75558	3.6
588.24438	6.9
597.43256	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	588.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.6
57.03429	1.4
69.03413	1.8
70.50973	3.1
70.51358	3.1
71.97318	1.3
79.05481	5.1
81.03415	5.4
85.02909	6.7
85.49367	1.3
87.04436	1.4
91.05470	6.0
93.07049	2.5
95.04942	2.3
97.02865	2.3
103.05456	5.3
105.06383	2.1
105.07023	14.5
107.04936	17.1
109.02866	2.5
110.70040	1.3
115.05434	1.9
116.34703	1.3
117.06997	1.5
118.04134	4.2
119.04928	5.9
120.05734	2.5
121.06470	3.8
124.05190	1.9
125.05966	1.2
127.03924	2.3
129.75722	1.4
131.04930	7.5
133.02817	4.1
133.06448	11.5
134.07210	1.9
135.08051	6.9
137.05963	14.7
139.03831	1.4
147.04410	7.4
149.05942	4.8
150.06795	8.3
151.03850	2.5
151.07597	6.5
161.05974	6.8
163.07539	27.9
165.05493	4.8
165.09103	9.7
167.07031	30.5
172.09618	3.4
179.07008	8.6
181.08559	8.6
191.07089	2.5
193.08609	50.5
195.10182	20.1
207.10124	2.7
211.09644	100.0
212.09955	1.4
213.11177	14.5
225.11172	1.6
237.11182	2.5
253.10764	2.2
303.12262	2.3
321.13223	2.4
350.16647	1.5
361.16431	2.8
398.17886	2.1
498.58023	1.6
560.22986	4.7
588.08228	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	588.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28761	2.7
54.09464	2.8
54.48070	2.4
54.70104	2.2
70.64349	7.9
85.07676	7.4
86.09754	3.0
91.05489	4.6
103.05466	2.4
105.07030	13.8
118.04151	4.2
119.04961	3.6
131.04916	2.8
133.06540	13.8
137.05978	7.1
147.04353	4.6
150.06799	7.7
151.07581	3.0
163.07626	4.9
165.09146	10.8
167.07062	9.6
177.98538	2.4
179.07120	3.3
193.08606	49.5
211.09660	100.0
272.62332	2.7
294.07660	4.8
350.58240	2.4
491.65723	2.5
518.23120	4.1
588.27191	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	588.265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.2
55.01857	3.2
67.05488	6.8
69.03437	19.1
70.06590	4.2
71.51205	6.7
77.67132	3.2
79.05477	7.2
81.03431	10.1
84.26765	3.9
85.02908	19.2
85.87454	3.4
87.04476	4.9
87.09941	3.3
91.05495	17.9
93.07039	5.4
95.04964	6.1
97.02901	11.5
99.04439	5.0
103.05476	18.9
105.07021	17.7
106.04150	4.6
107.04962	41.8
109.02860	5.8
114.06663	14.2
119.04947	7.5
121.06503	10.9
123.04385	5.2
125.06049	4.8
127.03889	9.4
129.07021	8.1
131.04932	21.1
132.05731	4.8
133.02841	8.8
133.06496	20.0
135.04416	4.7
135.08063	10.0
137.05989	33.8
140.08293	3.3
145.04985	5.2
146.07240	5.7
147.04459	4.1
148.05171	5.9
149.05963	19.4
151.03888	5.3
151.07523	9.8
153.05487	4.5
157.06548	6.8
161.05977	84.1
161.09641	18.1
163.03900	5.4
163.07544	48.6
165.05434	7.9
165.09109	4.1
167.07059	52.5
169.43243	4.1
174.06763	5.0
175.07495	11.5
177.05476	13.9
179.07069	20.7
180.07838	16.8
181.08627	29.9
182.09285	4.7
189.09094	47.0
191.07069	21.7
192.07884	7.5
193.08632	16.0
200.10336	30.4
207.06458	4.7
207.10184	98.8
209.08052	25.0
219.10101	4.2
221.08163	7.8
229.14261	4.8
257.11551	3.9
285.11176	6.3
291.12070	6.7
311.12830	4.3
311.29828	3.4
317.13605	4.8
341.12537	6.6
343.15347	7.2
361.16464	100.0
373.16708	8.6
408.16974	5.2
426.17981	3.8
436.97559	3.6
477.79593	4.1
523.02942	4.1
569.51874	3.7
588.24896	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	588.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01814	0.7
53.03951	0.8
55.01865	1.2
57.03427	0.8
63.16758	0.7
64.81617	0.7
69.57268	1.4
69.57675	3.4
76.99809	0.8
79.05495	4.7
80.34863	0.7
81.07014	1.1
85.02885	1.8
91.05463	4.4
93.07012	0.9
95.04951	1.8
97.02850	1.3
98.21562	0.7
103.05476	4.3
105.06328	0.9
105.07030	18.0
106.11024	0.7
107.04930	3.3
108.05746	1.0
109.06506	2.4
111.04416	0.9
115.05453	1.7
118.04163	5.3
119.04967	3.8
120.05725	1.0
121.06483	1.6
122.07301	1.2
123.04388	1.4
123.08039	2.0
124.05218	1.0
131.04927	7.7
131.37675	0.9
133.02831	5.0
133.06487	17.4
134.07272	1.3
135.04384	2.0
135.08034	2.6
137.05983	8.5
141.05470	2.1
143.65169	0.7
146.03604	1.7
147.04372	3.9
148.05182	0.7
149.05986	3.7
150.06770	10.9
151.07562	5.1
152.08165	0.9
161.05965	3.0
163.07542	11.5
165.05470	2.7
165.09109	14.1
167.07054	8.5
178.06245	1.7
178.08658	0.9
179.07069	6.3
193.08592	53.3
195.10153	1.6
211.09651	100.0
212.10033	1.8
213.11153	1.1
238.24396	0.7
257.45239	0.8
258.11136	0.8
341.13736	0.9
344.14792	2.2
361.16446	2.3
373.06985	0.8
374.16061	0.8
588.23230	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.4307
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62164	6.4
53.03935	7.7
55.01866	19.4
55.05504	68.1
57.03436	6.4
57.07066	15.5
67.05250	5.2
67.05511	64.6
69.03406	10.1
69.07075	36.6
69.21244	77.7
71.08598	8.9
76.99075	7.4
79.05494	79.7
81.07052	100.0
83.04976	16.3
83.08638	36.7
83.74455	6.8
85.06507	8.8
85.10183	8.3
91.05473	56.4
93.07050	65.9
95.04962	39.5
95.08604	52.7
97.06506	9.4
97.10171	52.3
98.20695	11.0
98.21369	28.4
105.07021	64.9
107.04929	9.1
107.08591	49.6
109.06498	20.4
109.10170	23.9
111.04455	10.6
111.08092	14.5
117.07009	24.3
119.08585	67.1
121.06472	13.1
121.10139	33.0
123.08038	10.3
123.11668	8.9
125.09637	30.6
129.07022	14.0
131.08536	40.7
133.10121	37.8
134.86839	6.8
135.08041	8.9
135.11696	18.8
137.09512	8.5
139.11232	7.5
143.08554	10.6
145.10161	40.4
147.08055	9.0
147.11694	46.4
149.09641	16.4
149.13232	13.7
151.11177	6.5
153.09085	11.8
155.08527	12.5
157.10130	16.5
159.11705	26.9
161.13295	22.1
163.11180	27.2
165.12785	9.8
171.11711	15.8
173.13235	14.6
175.14809	16.2
177.12862	9.7
181.12256	13.7
183.11746	8.2
185.13216	12.2
187.11211	6.9
189.11186	49.3
191.10680	8.2
201.16469	7.9
213.16418	7.6
223.13306	15.4
241.19522	23.4
247.20264	9.8
257.19046	9.6
259.20587	40.0
273.18436	10.5
275.20166	31.9
277.21725	20.1
291.19528	34.3
293.21100	97.2
397.30859	14.1
415.31897	8.2
445.33057	7.7
533.39948	9.5
551.41101	21.0
569.42395	40.8
587.23047	6.9
587.45044	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	587.4303
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	36.4
60.53902	14.3
67.05486	44.0
69.07060	30.5
71.08624	16.0
71.53690	17.9
79.05480	53.1
81.07043	64.5
83.08602	29.1
86.09727	14.9
87.11263	13.5
91.05479	25.3
93.07043	46.1
95.04956	49.7
95.08601	60.1
97.06526	19.9
105.07026	36.3
107.08583	25.7
109.10165	22.4
119.08573	45.4
121.06434	15.9
121.10138	46.9
125.62402	12.4
133.10135	28.2
135.11694	26.6
145.10100	20.6
149.09666	19.3
157.98048	15.3
163.11218	33.2
170.14160	14.6
179.12921	14.4
179.14331	97.1
179.15614	15.7
223.13356	41.9
275.20123	93.1
277.21680	100.0
293.21124	53.7
326.57483	15.4
510.89160	16.4
587.46545	39.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.4304
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.4
53.52617	1.7
55.01864	5.9
55.05511	20.8
55.10822	2.2
56.90108	2.0
57.03410	3.2
57.07071	24.3
67.05183	2.9
67.05505	34.7
69.03422	2.9
69.07066	21.6
71.04987	1.9
71.08633	4.6
79.05022	2.0
79.05491	31.8
81.03410	8.4
81.06595	2.8
81.07050	37.3
83.04996	10.3
83.08623	10.3
85.10181	54.5
87.12041	2.0
91.05475	29.4
93.07038	30.4
95.04970	16.1
95.08611	34.9
97.06526	4.4
97.10155	7.7
98.20821	8.3
98.21527	5.6
99.08089	4.4
105.07032	31.5
107.04964	18.3
107.08582	16.1
109.06531	9.8
109.10167	12.3
111.08044	5.4
113.09639	62.6
117.06991	7.1
119.08578	18.4
121.06485	7.2
121.10155	11.2
123.08057	7.4
123.11707	4.3
125.09639	2.2
129.07005	6.4
131.08543	14.7
133.06500	2.9
133.10136	15.2
135.08038	2.4
135.11684	7.9
137.09651	3.7
143.08549	5.2
145.10095	11.8
147.11653	21.8
149.09607	17.4
149.13211	6.0
151.11159	7.7
153.12802	2.4
157.10162	3.0
159.07996	2.1
159.11739	5.7
160.69226	1.8
161.09602	2.6
161.13228	7.7
163.11172	16.6
163.14821	3.5
165.12741	69.1
171.11685	4.2
173.13268	3.1
175.11139	9.6
175.14838	3.0
177.12778	3.0
177.16342	1.8
179.14281	2.1
181.12210	2.4
183.11681	2.3
184.28822	2.1
185.13213	3.0
191.14502	2.2
207.13785	3.2
219.13947	2.0
229.66504	1.9
233.18834	2.1
238.20294	1.8
241.19485	5.4
249.22298	3.4
250.92345	2.0
257.18967	7.5
259.20532	7.6
273.18597	3.7
275.20062	55.4
277.21619	91.8
278.29349	1.7
293.21051	24.8
295.22684	100.0
369.29315	1.9
405.27435	2.3
441.82007	2.4
457.32764	3.1
569.41217	2.8
587.47083	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	587.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.8
52.09026	0.4
53.03943	5.7
55.01868	0.9
57.03432	0.6
64.18133	0.4
65.03913	1.0
67.05495	0.5
68.99773	0.5
69.03412	3.2
69.80421	1.1
69.80831	1.6
70.06583	0.7
71.04989	0.9
79.05476	1.6
81.03413	30.6
81.07043	0.7
85.02879	1.3
86.09693	0.8
87.00825	1.4
90.88319	0.5
91.05485	2.1
93.07020	1.0
95.04379	0.7
95.04961	11.5
97.02888	7.8
99.04459	0.7
103.05464	1.3
105.07019	1.2
107.04951	6.8
109.02873	100.0
109.06512	0.9
110.03672	1.5
111.04474	1.0
115.05445	0.7
117.07014	1.4
121.02867	3.5
121.06493	1.8
123.04439	3.0
125.02348	7.9
127.03920	9.0
129.06981	1.2
131.04939	2.1
133.02846	1.0
133.06462	0.9
133.30638	0.5
133.85725	0.4
135.04431	0.7
137.05978	1.3
137.80489	0.4
139.03877	1.8
145.04996	1.2
145.06502	2.2
147.04430	1.2
147.78520	0.5
149.02345	1.8
149.06017	2.8
151.03891	16.6
153.05424	2.0
154.87669	0.4
155.04913	0.9
156.77428	0.4
161.05997	1.3
163.03819	0.5
163.07529	0.7
165.01845	2.9
165.05496	0.7
167.03369	0.9
167.07019	1.5
167.29628	0.4
169.05003	0.5
173.06003	1.3
175.03917	1.4
177.05464	1.7
184.07312	1.0
189.05420	1.2
191.07047	1.8
193.04985	1.2
193.08679	0.9
195.06528	1.5
199.03940	0.7
201.05482	1.3
204.10181	0.4
213.03931	1.1
217.04936	0.8
219.06534	1.0
231.04819	2.6
233.04475	0.9
235.06039	1.5
237.07478	0.5
251.05580	0.5
253.06966	0.6
259.06024	1.2
263.05582	0.9
275.05585	0.7
281.06555	2.0
293.06583	1.5
299.08035	0.6
303.08765	0.5
319.04321	0.7
320.08868	0.6
321.09473	0.6
332.58475	0.5
335.43582	0.4
337.05496	1.8
345.09854	0.5
389.08514	3.1
407.09692	11.1
425.10928	2.8
587.21179	0.7
613.53137	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.4509
Annotation	Hericene C
Peak:m/z	Relative Intensity
50.07353	0.8
53.03935	2.0
55.01874	2.0
55.05266	1.6
55.05509	14.4
57.03432	5.4
57.07075	3.5
67.05505	36.6
69.07069	14.1
70.33859	0.8
71.01363	1.8
71.04993	2.6
71.08595	1.0
79.05493	24.4
80.21078	1.0
81.07057	40.6
83.04976	1.2
83.08624	12.2
85.06542	2.1
91.05483	20.3
91.06027	1.5
93.06583	0.5
93.07044	32.3
95.04974	3.2
95.08607	35.9
97.06522	4.7
97.10165	6.2
99.08089	2.2
105.07030	21.1
105.07697	1.5
107.08589	19.2
109.06586	1.0
109.10155	15.7
111.08054	1.4
111.11748	1.1
115.05522	1.2
117.02013	0.9
117.07014	8.0
119.08574	17.5
121.06517	1.0
121.10149	16.8
123.08021	1.3
123.11708	8.9
129.07034	5.3
131.08572	14.8
133.10136	18.7
135.08133	0.9
135.11694	13.0
137.13293	2.7
139.11148	1.0
142.07840	1.0
143.08560	5.7
145.10124	15.0
147.11685	16.9
149.09650	1.6
149.13254	7.5
151.14905	1.5
157.10112	7.1
159.11694	14.6
161.13257	7.1
163.11224	1.4
163.14871	2.7
169.10133	1.7
171.11668	6.7
173.13252	8.8
175.14828	5.6
177.12866	1.1
177.16309	1.1
181.10100	1.7
183.10257	0.9
183.11751	2.7
185.13243	6.1
187.14847	6.2
189.16359	2.1
191.14400	1.0
195.11760	1.4
197.13368	2.4
199.14867	3.7
201.16434	4.3
203.17966	2.8
211.14886	2.7
213.16455	4.6
215.17957	5.3
217.19673	1.2
225.16473	1.4
227.18027	1.3
229.19572	2.0
231.17473	3.8
233.18994	6.0
235.20676	1.1
241.19655	2.0
243.21170	1.5
259.20566	4.4
261.22180	4.6
273.22256	1.4
275.20129	2.2
285.22269	1.0
299.23407	0.9
305.21167	2.1
307.22687	5.8
309.24313	4.4
313.25259	1.3
315.27136	1.0
317.24893	1.7
325.25299	1.1
327.26929	1.1
333.24289	3.4
335.25879	10.4
337.27377	5.2
357.27637	1.1
387.29205	1.1
461.32629	1.0
475.33780	1.8
475.39484	1.1
489.35788	2.0
493.40347	7.6
501.35443	1.4
511.41730	3.7
515.37109	1.8
557.42468	1.2
567.44220	11.3
585.45148	100.0
586.45697	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	587.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02360	0.3
52.17462	0.3
52.28328	0.3
53.03946	5.5
54.50991	0.3
55.01864	0.6
65.03925	0.6
67.05495	0.5
68.99773	0.6
69.03428	3.2
71.04978	1.1
71.51170	0.5
73.02895	0.3
79.05484	1.7
81.03418	27.5
81.06993	0.3
81.42262	0.3
83.04968	0.7
85.02889	1.5
86.09689	0.6
87.00827	1.5
91.05486	1.6
93.03416	0.3
93.07034	1.2
95.04967	11.7
97.02888	8.2
97.03514	0.4
97.06574	0.4
99.04438	0.8
103.05473	1.1
105.04486	0.4
105.07036	1.4
107.04957	7.9
109.02879	100.0
110.03737	1.4
111.04436	1.1
113.02329	0.4
115.05478	0.9
117.07049	1.7
119.04948	0.6
119.08526	0.4
120.19986	0.3
121.02868	3.2
121.06532	1.9
123.04411	3.4
125.00018	0.7
125.02350	9.1
125.05988	0.5
127.03922	8.5
128.06255	0.5
129.06967	1.9
131.04939	1.9
133.02837	0.8
133.06473	1.0
135.04407	1.4
137.05966	0.9
139.03877	2.2
145.04951	1.2
145.06444	1.6
147.04398	0.8
149.02354	1.7
149.05984	2.0
151.03903	16.2
153.05457	2.4
155.04860	0.6
155.06026	0.4
155.23520	0.3
157.06618	0.4
159.04462	0.8
161.05971	1.3
163.03949	0.4
163.07538	0.8
165.01837	3.0
165.05421	0.7
167.03426	1.0
167.07080	0.8
171.04416	0.6
173.05995	1.2
175.03967	0.9
175.07674	0.6
177.05487	2.0
181.05022	0.6
183.02901	0.9
184.07410	1.0
185.06047	0.4
187.07513	0.3
189.05486	1.4
191.07033	1.9
193.04971	0.8
193.08632	1.1
195.02888	0.4
195.06516	1.6
199.03903	0.6
201.05489	1.0
203.03554	0.5
204.10191	0.3
205.05046	0.4
207.06525	0.4
209.08064	0.4
213.03912	1.7
217.04977	0.7
219.06569	1.1
222.11264	0.7
223.11612	0.6
231.04927	2.6
233.04471	0.9
235.06009	1.0
237.07492	0.6
247.06067	0.4
251.05605	0.7
259.06024	1.8
263.05508	1.2
275.05435	0.4
281.06451	1.6
283.09586	0.3
285.07642	0.5
287.05743	0.4
293.06613	1.1
299.07758	0.7
317.10361	0.3
320.08890	1.6
321.09280	1.1
327.08994	0.4
337.05502	2.0
345.09830	1.0
363.10815	0.7
389.08658	3.8
407.09756	12.3
425.10764	2.3
587.21252	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
69.74368	6.2
79.05481	4.0
80.92491	1.2
84.08168	1.5
86.09691	2.5
91.05494	5.9
93.06999	1.3
94.04163	1.5
95.04954	2.5
97.06586	1.6
98.21486	2.7
100.17606	1.1
103.05447	1.5
105.07021	4.6
107.04946	5.5
111.04481	1.2
115.05455	2.0
117.06969	1.3
119.04940	1.4
121.06511	2.8
122.03620	6.5
125.06002	2.5
125.37062	1.1
128.06241	2.8
129.06998	7.9
131.04910	1.8
131.08583	10.1
133.06471	2.6
135.04341	1.4
135.08025	1.3
137.05977	76.3
141.06987	3.8
143.08600	1.8
144.05705	3.3
145.06471	3.5
147.04404	1.6
149.06009	1.7
151.03893	3.5
153.05487	2.1
153.06880	1.6
157.06445	3.4
159.08054	17.0
161.05997	4.0
161.09596	3.7
163.07597	1.5
165.07005	1.2
167.07045	16.8
169.07657	2.3
170.07263	2.8
171.08031	3.3
173.05992	2.1
174.06784	2.2
175.07539	3.8
177.05511	1.4
179.06999	3.7
181.04941	7.2
181.08533	2.5
184.07339	3.6
187.07574	11.1
188.08371	1.1
189.05521	1.6
189.09137	5.1
193.08574	3.7
198.06737	1.6
199.07391	2.7
203.07034	2.9
204.07820	6.1
205.08641	2.1
207.06525	7.9
207.10175	1.1
216.07794	3.2
217.08585	2.3
219.08261	1.9
219.10133	5.9
221.11647	3.0
231.10190	5.4
235.09520	1.8
237.11250	1.5
249.11226	100.0
250.11797	1.8
253.08702	2.4
261.45425	1.3
267.02643	1.3
313.10559	3.6
327.12225	4.7
331.11768	2.9
335.12610	1.1
341.13910	1.4
357.13287	4.5
359.14893	11.0
413.15915	26.6
567.21942	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.4507
Annotation	Hericene C
Peak:m/z	Relative Intensity
53.03934	1.9
55.01859	1.7
55.05507	12.7
57.03428	4.5
57.07078	4.6
57.59988	0.8
67.05500	34.8
67.20154	0.6
69.07060	13.5
71.04971	1.8
71.08620	1.7
71.24767	1.5
79.05027	0.8
79.05489	21.7
81.07053	38.0
83.04989	1.6
83.08611	8.8
85.06529	2.0
88.54824	0.8
91.05476	18.5
93.07040	28.1
95.04956	2.3
95.08602	33.1
97.06531	2.7
97.10158	5.4
99.08062	1.2
101.68385	0.7
105.07024	19.8
107.08589	16.7
109.06536	1.2
109.10153	18.0
111.08065	1.8
117.07019	9.7
119.08572	20.4
121.06510	0.7
121.10142	17.4
121.44116	0.7
123.08078	1.8
123.11698	7.1
126.66125	0.6
128.06224	0.8
129.06952	4.0
130.07782	1.1
131.08562	17.4
133.10115	19.2
135.08098	0.8
135.11684	13.0
137.09612	1.0
137.13240	2.9
141.06947	0.9
143.08525	6.7
145.10101	15.5
145.11166	1.1
147.11674	13.8
149.09650	1.9
149.13248	7.5
151.11115	1.2
151.14818	1.1
155.07211	0.7
155.08522	2.3
157.10110	8.2
158.10812	0.7
159.11671	12.1
161.13229	8.5
163.11159	1.1
163.14812	3.1
165.12859	0.7
169.10100	3.6
171.11694	7.6
173.13252	10.4
175.11174	0.8
175.14824	5.9
177.12674	0.7
177.16397	1.7
181.10172	1.2
182.18465	0.7
183.11717	2.4
185.13258	6.0
187.14804	6.2
189.12775	0.7
189.16379	3.1
191.14288	1.1
191.17751	0.8
192.86554	0.6
195.11713	1.6
197.13284	1.7
199.14761	4.4
201.16371	2.9
203.14299	0.8
203.17993	2.9
205.19597	0.9
209.13329	1.4
211.14867	2.1
213.16432	4.7
215.17932	5.0
217.15799	0.7
217.19560	0.8
221.15280	0.9
223.14792	0.8
223.16898	1.1
225.16452	0.9
227.18004	2.4
229.19405	1.1
231.17448	3.9
233.19011	4.1
239.17868	1.3
241.19507	2.4
243.17590	1.0
243.21130	1.4
247.20799	1.0
259.20584	3.5
261.18594	0.8
261.19592	1.1
261.22070	5.7
271.20602	1.1
273.22052	1.1
275.20151	1.1
285.22134	1.5
287.23944	1.0
289.21762	1.1
299.23703	2.1
305.21100	0.9
307.22720	5.4
309.24210	2.9
311.23361	1.0
313.25305	1.5
327.26715	1.4
333.24359	2.9
335.25766	7.3
337.27411	3.9
341.28650	1.1
367.29761	0.8
423.32294	0.7
449.32703	0.8
461.32300	1.0
475.33939	1.5
475.39969	1.3
489.36115	1.4
493.40402	7.3
501.35638	2.0
503.67752	0.7
511.41623	2.7
515.37354	1.7
517.38403	0.7
525.85193	0.7
567.44049	11.7
585.45074	100.0
586.45313	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.2
53.03934	3.1
58.56350	0.8
60.33929	1.0
62.69233	0.9
67.05493	1.9
69.03419	3.6
71.04983	0.9
73.02435	0.7
73.02836	0.9
77.03890	1.1
79.05485	6.2
81.03410	2.9
81.07040	1.0
83.04954	1.0
84.75716	0.8
85.02888	2.5
91.05475	2.4
93.07037	2.3
95.04969	50.2
97.02885	6.7
103.05453	3.4
105.03402	1.1
105.04533	1.2
107.04959	31.3
109.02882	21.4
109.06511	1.5
119.04913	1.9
121.06506	6.3
123.04433	12.2
125.02357	16.9
125.05982	3.6
125.06878	0.8
127.03905	1.9
131.04933	2.3
133.02878	1.1
135.04410	2.0
137.06015	1.1
147.04408	0.8
149.05984	10.3
151.03905	100.0
152.04231	1.1
153.05472	4.7
167.07033	1.2
167.51962	0.9
173.04362	1.0
175.03915	1.6
177.05463	18.6
193.04945	3.4
195.06534	44.3
200.85159	0.8
203.56146	0.7
211.06027	21.9
213.07565	8.7
229.07082	5.3
295.08215	1.2
321.09351	1.1
339.10654	2.0
357.11819	2.5
585.22253	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.3
55.01869	30.1
63.06191	1.2
65.03937	8.8
67.05489	3.6
69.34604	5.4
69.35025	5.6
69.48492	1.5
71.17156	1.7
73.54137	1.3
76.92252	1.1
78.04742	1.3
79.05499	10.1
81.03411	1.6
82.04216	2.5
85.02911	3.2
86.09676	1.4
91.05479	21.3
93.03400	1.8
94.04192	3.0
95.04972	7.9
97.02888	1.7
97.06532	2.5
98.21609	1.4
100.17442	1.2
103.05457	15.3
105.03394	2.4
105.07027	57.0
107.04953	9.3
109.02959	2.0
109.06554	1.2
110.03674	3.1
111.04406	2.8
115.05441	13.4
117.03384	1.9
118.04131	1.3
119.04941	20.9
121.06497	4.2
122.03630	6.8
123.04448	6.0
125.05983	3.6
128.16000	1.5
129.07008	3.5
131.04927	12.5
133.02827	3.0
133.06485	52.9
134.03690	1.5
135.04391	2.4
135.08018	2.0
137.05977	53.0
138.03218	1.4
138.06314	1.6
140.04684	1.4
143.05009	1.8
143.06047	4.7
145.06462	2.4
146.07187	2.8
147.04395	23.6
147.08028	1.6
149.05952	9.3
151.03940	6.0
151.07527	4.1
152.04576	1.5
153.05489	4.2
155.07039	2.8
157.06482	4.0
159.04443	1.8
160.05289	1.5
161.05974	100.0
162.06752	2.2
163.07541	4.2
165.05441	4.7
167.07018	21.6
171.06523	4.1
171.08133	1.4
172.05029	1.7
174.06799	1.6
175.07565	10.5
177.05466	26.4
179.07030	8.1
181.04953	58.7
184.07379	3.6
185.07619	1.6
187.07552	7.3
189.05498	2.3
189.09079	3.7
191.07036	3.6
199.07468	8.4
201.09163	1.5
207.06509	3.2
209.08087	50.5
217.08508	2.5
219.08136	2.4
219.10121	2.2
221.08031	13.9
225.07510	14.7
226.08334	2.0
231.07912	1.6
235.07513	1.5
236.08234	1.6
247.07475	4.1
248.08334	3.3
249.09082	1.7
261.09036	2.2
276.07819	2.2
277.08524	3.0
278.09265	1.4
279.10126	2.8
289.08374	1.4
291.10135	3.0
293.11859	1.6
297.11145	2.0
307.09628	2.0
311.12772	3.4
323.12732	4.2
335.13049	1.6
339.12360	3.2
351.12344	3.2
353.13910	2.3
358.14267	3.5
359.14828	3.0
365.13718	1.9
369.13254	9.2
371.15045	1.7
383.14688	3.4
387.14252	3.9
388.15161	10.7
395.14709	2.4
465.32416	1.7
489.19232	2.4
507.19858	3.9
519.20551	3.1
527.31897	1.4
537.21088	3.5
549.20892	4.0
567.22156	9.2
585.23334	18.1
585.39630	7.4
585.90277	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	585.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.1
55.01867	1.9
63.25390	0.7
65.03939	7.6
67.05495	1.4
71.36224	1.1
71.36558	1.0
78.21928	0.6
79.05494	1.1
82.04170	1.7
85.02903	0.8
91.05486	2.2
93.03394	2.9
95.01327	1.2
95.04961	2.4
97.06544	0.9
103.05498	0.9
105.07063	1.2
107.04944	3.4
110.03662	5.2
111.04446	9.6
115.05450	0.8
119.04950	1.3
121.02869	4.5
121.06509	1.5
122.14334	0.7
123.04440	1.1
125.05981	8.9
129.06976	1.7
131.04932	0.8
131.08537	1.0
133.02821	0.7
133.06511	1.5
135.04405	1.7
135.08035	0.8
137.05988	11.0
138.06296	0.8
141.07013	0.8
144.05667	1.1
145.06488	1.4
147.04353	1.0
149.02325	1.9
149.05974	1.2
151.03918	22.5
151.05035	2.0
151.07520	2.2
153.05460	18.5
154.07748	0.6
159.08041	2.6
160.63608	0.7
161.05945	3.2
161.09595	1.6
162.06763	0.7
163.07555	0.9
165.05476	1.3
167.07088	5.3
167.08429	1.1
171.08064	1.0
173.06042	0.8
174.06682	0.8
175.07559	2.0
177.05440	1.5
178.06177	0.8
178.07701	1.0
179.07039	1.1
181.04971	3.9
181.06451	1.3
181.08574	0.7
182.07292	0.6
184.05299	1.1
185.05934	0.7
187.07578	1.5
189.09189	1.8
193.08621	0.9
194.07269	1.0
195.06509	1.7
195.08102	1.8
197.09586	1.0
199.07484	0.8
203.07013	0.8
206.07220	0.9
207.06357	1.2
207.08186	0.8
207.10126	1.1
209.06024	1.3
210.06767	1.6
211.07504	2.7
212.08267	1.0
217.17990	0.7
219.09999	0.8
220.08675	1.1
221.06036	1.4
221.09648	2.2
222.06763	1.2
222.10295	0.7
223.07582	2.8
224.08231	1.5
225.09113	2.3
227.07013	1.9
235.07440	1.3
236.08189	0.7
237.05467	1.0
237.09128	2.3
238.06239	2.3
238.09897	2.3
239.06998	2.5
239.10629	1.6
240.07811	6.1
241.08511	1.6
249.09001	0.9
249.11249	12.7
251.06995	2.2
251.10771	1.1
252.07768	1.8
253.08603	11.9
253.12260	3.7
254.09276	2.9
255.06512	2.2
255.10190	4.4
257.08041	2.2
265.08710	1.6
266.09369	2.3
267.06607	1.2
267.10172	2.6
268.07361	1.7
269.08075	2.7
270.08823	2.2
277.08575	1.2
279.10123	1.0
280.07443	0.8
281.08038	4.1
281.11298	4.3
282.08847	1.0
283.09680	6.3
283.12881	1.1
284.10422	2.7
285.08359	0.8
285.11279	3.7
285.14630	1.1
294.08841	1.4
295.09589	2.5
296.10275	1.5
297.11285	1.5
298.08459	0.8
298.11938	2.6
299.12744	5.2
300.09811	0.9
301.10760	1.0
303.15891	1.1
305.13602	0.7
309.11121	5.0
310.11957	1.6
311.12759	1.0
313.10718	8.0
313.14331	3.2
327.12277	24.3
328.13065	1.5
331.12042	0.8
331.15149	3.6
339.12338	1.6
341.13867	4.1
353.13831	1.0
357.13385	3.3
359.14880	100.0
360.15289	2.3
371.14847	4.9
372.15543	1.3
413.15912	3.5
482.34558	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.3559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.2
55.05517	0.3
56.05037	0.6
57.02493	0.2
57.02780	0.1
57.03424	0.2
58.06622	0.9
59.07394	0.7
59.53325	0.1
60.08163	6.0
62.07405	0.1
67.05497	0.7
69.03465	0.2
69.59710	1.1
70.06599	0.3
71.04961	0.3
71.07372	2.9
71.08615	0.2
78.04720	0.1
79.05482	0.5
81.03419	0.7
81.07062	0.4
83.08640	0.2
84.08156	0.3
84.23192	0.2
86.09707	28.7
87.10052	0.3
91.05489	0.6
93.07042	0.4
95.04994	0.2
95.08604	0.2
97.06532	0.5
98.20824	0.2
98.98468	2.7
103.05461	0.2
104.10741	3.8
105.07032	0.3
107.04948	0.6
109.02873	0.2
112.98319	0.2
115.05457	0.2
117.07043	0.3
121.06488	0.2
122.03710	0.2
123.04449	0.2
125.00005	21.3
131.04953	0.2
133.06459	0.2
137.05960	1.2
138.06328	0.6
143.01012	0.2
144.08125	0.5
144.27046	0.1
145.06508	0.4
147.04436	0.3
147.07938	0.1
149.05980	0.2
151.03915	0.5
152.43288	0.1
153.01880	0.2
154.02242	0.2
158.09555	0.2
161.06004	0.2
167.07021	1.5
168.07339	0.5
175.07611	0.2
176.14323	0.5
177.05490	0.3
179.07062	0.2
181.04953	0.5
181.08461	0.2
182.05202	0.2
184.07341	100.0
185.07642	0.8
187.07553	0.1
193.05003	0.2
193.08656	0.2
195.06599	0.2
202.15915	5.0
207.06557	0.3
220.16927	0.5
255.06171	0.2
286.04736	0.5
287.05017	0.2
300.13605	5.0
301.14130	0.2
356.15656	0.2
382.13727	0.2
389.06357	0.3
390.06854	0.7
404.08313	0.7
405.06009	1.1
406.06375	3.7
407.07077	0.6
412.20969	0.8
421.09152	3.2
422.09509	10.9
423.09760	1.1
466.25854	1.6
516.30359	0.3
534.32050	1.0
548.33264	0.2
552.32843	0.2
566.33966	0.7
584.21588	0.3
584.36469	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.27
Annotation	Unknow
Peak:m/z	Relative Intensity
58.27082	2.9
65.96597	3.3
69.03411	7.2
70.97809	7.7
79.05465	4.1
85.02892	6.5
91.05472	8.0
95.04963	6.2
97.02878	8.1
103.05446	9.9
105.07015	7.3
107.04934	15.4
109.02850	5.2
119.04925	7.2
119.40408	3.5
121.06548	5.5
127.03871	3.7
131.04915	11.5
133.06471	10.9
137.05971	59.4
145.04895	4.0
145.06554	3.6
146.06177	3.3
147.04401	12.4
149.05952	11.3
151.03880	7.5
151.07573	28.5
153.05531	3.0
156.91876	3.2
157.06343	3.4
161.05992	51.1
161.09598	7.5
163.07541	26.5
165.05490	5.5
167.07005	6.5
175.07542	9.5
177.05461	8.0
179.07030	13.2
179.90045	3.3
181.08618	11.0
189.09090	30.8
191.06967	4.1
192.06575	4.1
193.08640	5.2
207.10147	100.0
253.08415	4.4
255.10104	5.7
285.11160	4.8
287.12830	17.1
291.12387	6.3
297.11292	4.6
311.12689	5.6
313.14294	23.0
331.15381	46.4
343.15485	8.5
610.06012	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	584.3559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.2
55.05517	0.3
56.05037	0.6
57.02493	0.2
57.02780	0.1
57.03424	0.2
58.06622	0.9
59.07394	0.7
59.53325	0.1
60.08163	6.0
62.07405	0.1
67.05497	0.7
69.03465	0.2
69.59710	1.1
70.06599	0.3
71.04961	0.3
71.07372	2.9
71.08615	0.2
78.04720	0.1
79.05482	0.5
81.03419	0.7
81.07062	0.4
83.08640	0.2
84.08156	0.3
84.23192	0.2
86.09707	28.7
87.10052	0.3
91.05489	0.6
93.07042	0.4
95.04994	0.2
95.08604	0.2
97.06532	0.5
98.20824	0.2
98.98468	2.7
103.05461	0.2
104.10741	3.8
105.07032	0.3
107.04948	0.6
109.02873	0.2
112.98319	0.2
115.05457	0.2
117.07043	0.3
121.06488	0.2
122.03710	0.2
123.04449	0.2
125.00005	21.3
131.04953	0.2
133.06459	0.2
137.05960	1.2
138.06328	0.6
143.01012	0.2
144.08125	0.5
144.27046	0.1
145.06508	0.4
147.04436	0.3
147.07938	0.1
149.05980	0.2
151.03915	0.5
152.43288	0.1
153.01880	0.2
154.02242	0.2
158.09555	0.2
161.06004	0.2
167.07021	1.5
168.07339	0.5
175.07611	0.2
176.14323	0.5
177.05490	0.3
179.07062	0.2
181.04953	0.5
181.08461	0.2
182.05202	0.2
184.07341	100.0
185.07642	0.8
187.07553	0.1
193.05003	0.2
193.08656	0.2
195.06599	0.2
202.15915	5.0
207.06557	0.3
220.16927	0.5
255.06171	0.2
286.04736	0.5
287.05017	0.2
300.13605	5.0
301.14130	0.2
356.15656	0.2
382.13727	0.2
389.06357	0.3
390.06854	0.7
404.08313	0.7
405.06009	1.1
406.06375	3.7
407.07077	0.6
412.20969	0.8
421.09152	3.2
422.09509	10.9
423.09760	1.1
466.25854	1.6
516.30359	0.3
534.32050	1.0
548.33264	0.2
552.32843	0.2
566.33966	0.7
584.21588	0.3
584.36469	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4352
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.7
55.05511	20.7
57.03429	4.6
57.07076	5.6
67.05507	46.1
69.07059	17.9
69.16636	5.4
69.17040	32.1
71.05000	3.2
71.23268	2.6
79.05492	40.9
81.07053	50.4
83.08602	13.5
91.05478	38.8
93.07040	43.3
95.04980	7.6
95.08607	29.9
97.06538	4.5
97.10188	3.8
105.07032	47.0
105.98048	2.9
106.23161	3.5
107.08600	30.9
109.10156	16.2
110.22620	2.6
117.07038	20.0
119.08577	37.3
121.10149	20.6
123.11758	4.4
129.07048	8.3
131.08551	32.6
133.10138	31.0
135.11679	14.6
141.07007	5.7
142.07780	4.1
143.08521	18.9
145.10104	30.6
147.11662	21.8
149.13278	3.9
155.08554	8.1
157.10132	18.3
159.11697	19.1
161.13275	11.7
163.14774	3.0
165.06990	2.9
169.10133	9.0
171.11638	16.3
173.13300	12.6
175.14865	7.1
181.10124	5.7
183.11743	8.9
185.13283	9.9
187.14775	6.3
189.16371	3.2
195.11710	4.6
197.13264	10.0
199.14873	7.8
201.16414	6.5
203.14308	3.8
207.11723	3.2
209.13287	9.9
211.14897	6.2
213.16379	5.8
221.13338	4.0
221.15459	8.9
223.14944	3.5
227.17888	4.5
241.19481	7.0
257.18900	3.5
259.20612	14.3
299.23514	3.2
307.22812	7.6
333.24246	7.7
491.38705	12.8
565.42297	10.3
583.43530	100.0
584.44250	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	584.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.2
56.59991	1.2
64.17336	1.2
66.78474	1.4
69.03414	1.9
71.50687	1.7
74.73581	1.2
79.05460	1.2
81.03408	1.3
85.02892	4.7
88.90883	1.3
91.05464	2.1
91.46156	1.3
95.04966	25.7
97.02927	1.9
119.04925	5.6
121.06487	1.6
123.00789	1.7
123.04435	13.6
127.03917	1.6
137.05968	4.8
147.04395	3.8
149.05995	2.4
151.03899	84.4
151.82619	1.3
152.04326	1.6
155.03354	1.5
161.05981	1.3
163.07483	2.4
165.05472	100.0
175.03900	3.6
183.06482	1.4
189.09108	1.3
193.04942	14.8
207.06514	6.5
207.10226	3.0
211.06042	15.4
225.07561	35.5
243.08603	16.0
331.15298	2.1
366.93250	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4358
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	12.1
67.05497	49.9
69.07061	22.8
71.04983	8.6
71.53613	6.1
79.05494	37.5
81.03419	9.0
81.07058	61.4
83.04945	6.2
83.08622	12.9
91.05476	39.6
93.07050	46.9
95.04967	6.8
95.08602	39.4
97.06574	6.7
97.08823	5.3
98.14345	5.5
100.01123	6.6
105.07034	38.8
107.08583	28.5
109.06544	6.7
109.10149	23.9
111.08020	5.8
117.07021	16.8
119.08577	40.9
121.10138	19.9
123.08051	8.4
128.63866	4.9
129.07025	9.4
131.08638	27.7
133.10118	31.6
135.08165	5.4
135.11711	13.8
142.07748	5.9
143.08516	10.5
145.10124	28.9
147.11691	25.6
155.08571	14.2
157.10112	16.1
159.11699	26.3
161.13237	7.2
165.09164	6.2
169.10138	8.2
171.11691	15.3
173.13243	15.2
183.11714	12.4
185.13292	9.5
187.14787	11.5
195.11588	10.1
197.13274	12.1
213.16449	6.3
221.15425	15.4
231.17532	10.6
285.17050	8.1
335.25818	11.3
346.20892	5.0
368.43558	5.8
583.43518	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.7
55.01855	5.1
55.05507	18.8
57.03418	3.5
57.07068	9.5
63.78682	3.3
65.03932	7.4
66.33431	2.9
67.05507	31.5
68.58768	3.3
69.03416	10.0
69.07072	21.2
79.05486	30.5
81.07051	44.2
83.04992	8.3
83.08608	13.5
85.06525	8.0
91.05478	47.1
93.07047	62.0
95.04975	15.7
95.08617	46.6
97.06542	5.9
97.10155	5.0
98.21643	5.5
103.05437	5.0
105.07024	73.6
107.04928	7.3
107.08587	56.6
109.06505	14.3
109.10157	25.9
111.08054	3.3
115.05455	6.6
117.07026	22.8
119.08584	100.0
121.06525	8.2
121.10142	48.6
123.08041	10.6
123.11676	7.2
125.09618	4.9
128.06227	12.1
129.06998	23.9
130.07758	7.7
131.08549	35.1
133.10124	46.1
135.08049	11.1
135.11705	18.2
137.09602	9.3
139.11165	5.4
141.06989	6.9
142.07790	19.6
143.08571	37.5
144.09340	4.8
145.06566	4.1
145.10117	51.2
147.08043	18.6
147.11708	18.7
149.09557	9.9
149.13210	3.6
151.07515	10.4
153.06995	6.5
155.08533	12.3
156.09363	16.8
157.10139	62.0
158.10910	6.3
159.08028	7.9
159.11728	32.1
161.09618	9.4
161.13196	6.7
163.11127	8.2
165.06989	3.9
165.09117	18.7
167.08519	14.8
167.10695	17.9
168.09387	5.6
169.10103	23.6
170.10880	8.1
171.11687	24.1
173.09601	3.7
173.13298	34.3
175.11172	9.4
175.14780	12.3
179.08504	15.4
181.10106	13.6
181.12253	8.5
182.10875	9.5
183.11693	27.0
184.12491	4.9
185.13292	16.6
187.14839	7.7
189.12724	8.7
191.14345	8.7
192.09320	4.8
193.10188	15.7
194.10901	11.9
195.11737	24.4
197.13289	18.0
199.11140	3.7
199.14893	16.5
201.16463	3.4
203.14374	8.6
205.10202	5.9
206.10938	6.3
207.11775	19.5
207.13652	5.4
209.13226	25.1
210.13966	4.0
211.14868	9.9
213.16357	6.6
217.15862	7.4
218.10831	4.8
219.11700	8.4
220.12448	4.5
221.13211	18.3
221.15367	38.9
221.17285	4.2
222.13947	6.0
223.14854	19.4
225.16248	6.9
231.11676	11.1
233.13239	8.7
233.15395	5.3
234.13797	4.8
235.14761	9.5
237.16388	10.9
239.17963	5.2
245.13231	6.2
246.13972	5.9
247.14752	8.8
249.16429	6.8
251.17882	8.1
257.18994	9.6
259.14813	7.9
259.20422	3.9
260.15555	6.0
261.16333	11.5
263.17889	9.5
265.19504	4.7
269.18903	4.8
273.18503	10.9
275.17770	12.3
275.20319	6.0
277.19299	4.5
281.19012	3.7
283.20511	16.8
291.19577	10.0
300.20953	4.6
331.24036	5.6
349.25250	6.9
375.26886	5.3
387.26654	3.3
403.30212	4.5
455.33582	3.3
491.35382	6.1
507.31857	4.0
547.38721	4.3
565.39966	13.1
581.36493	3.8
583.41235	96.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4156
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42243	7.2
55.05511	33.8
56.74142	6.5
57.07079	16.6
57.78839	6.0
61.81743	7.0
67.05505	41.1
69.03403	12.3
69.07069	22.9
71.51123	9.9
73.67671	7.4
76.93095	7.0
79.05484	38.0
81.07050	67.1
83.04974	21.0
83.08614	19.7
83.27985	7.8
91.05476	59.6
91.62940	9.9
93.07035	70.9
93.88219	7.3
95.04964	22.2
95.08599	41.5
96.84464	6.7
97.06531	14.2
105.07041	91.4
107.08588	69.7
109.06520	14.9
109.10165	34.4
111.08092	9.8
117.07008	30.8
119.08577	89.7
121.10133	50.8
123.08064	13.8
123.11739	10.2
124.65911	7.0
128.06241	10.1
129.06961	17.8
131.08575	46.2
133.10118	57.2
135.08051	14.0
135.11678	18.7
141.06978	12.0
142.07784	27.1
143.08568	42.4
145.06488	9.3
145.10120	60.0
147.08052	9.8
147.11681	26.4
149.09633	11.0
151.07544	18.2
155.08546	14.4
156.09328	12.6
157.10118	57.0
159.08041	10.6
159.11696	37.7
161.09657	17.2
161.13245	15.5
163.11191	12.0
165.09116	20.2
167.10696	12.0
168.09331	10.0
169.10129	33.5
170.10895	11.8
171.11705	25.8
173.13208	34.0
175.14790	17.4
177.12866	8.5
179.08607	10.6
181.10114	12.8
182.10843	10.9
183.11668	28.5
185.09698	8.3
185.13242	20.8
187.14807	16.3
191.14302	9.0
193.10193	8.0
195.11717	22.3
197.13289	23.6
199.14867	15.9
203.14291	14.2
207.11726	16.6
208.12390	9.7
209.13235	34.6
211.14815	12.7
217.15976	7.2
219.11539	8.3
221.13293	14.5
221.15446	39.0
223.14853	14.3
233.13342	9.2
235.14871	21.1
247.14912	10.0
249.16325	8.3
257.19028	12.3
259.20560	8.4
260.15692	7.6
274.01627	8.2
283.20673	14.8
291.19434	9.0
313.92377	7.2
366.08505	7.8
491.35361	9.7
565.39941	23.3
583.41394	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	12.4
55.05513	40.5
57.07071	10.8
61.79725	7.4
67.05512	60.0
69.03430	13.5
69.07077	41.0
69.20098	97.8
71.08627	10.2
79.05495	56.5
81.07053	85.2
83.04966	16.2
83.08612	30.5
86.09699	21.9
89.06026	8.2
91.05479	67.4
93.07046	91.3
95.04984	24.8
95.08596	51.0
97.06525	17.1
98.21007	42.6
105.07039	97.0
107.04996	12.2
107.08587	60.6
109.06529	24.1
109.10169	33.6
117.07006	24.5
119.08591	98.8
121.10147	72.9
123.08079	14.5
123.11748	14.2
125.09607	13.2
128.06256	11.2
129.07001	19.3
131.08565	55.9
133.10110	63.8
135.08051	17.6
135.11679	34.8
137.09622	17.2
141.07031	9.3
142.07744	14.6
143.08562	27.3
145.10127	88.4
147.08054	20.3
147.11713	19.8
149.09589	7.9
155.08537	17.9
156.09407	15.1
157.10066	42.0
159.11702	29.4
161.09560	20.0
161.13257	12.9
163.11159	21.1
165.09076	22.3
167.10654	41.5
169.10115	26.9
171.11700	22.5
173.13254	26.9
175.14798	14.9
179.08617	10.4
181.10075	11.5
182.10881	17.1
183.11732	23.7
184.07321	65.9
185.13281	20.6
187.11215	10.9
187.14798	11.7
195.11639	14.3
197.13251	22.6
203.14362	17.9
209.13379	10.3
211.14880	12.7
221.13501	11.4
221.15324	54.2
223.14899	14.4
233.13235	9.4
237.16411	9.1
257.19135	15.4
273.18649	20.5
275.20032	18.1
277.19748	9.8
291.19629	20.0
311.20264	15.5
357.68890	8.5
379.29868	8.8
491.34885	9.3
493.39734	9.7
543.66168	9.5
565.40448	22.3
583.41180	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4146
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	2.1
53.03936	4.5
55.01880	2.4
55.05509	14.9
57.07067	10.4
59.04992	2.7
65.03928	3.5
67.05502	26.8
67.16176	1.3
69.03426	8.5
69.07066	21.1
69.23573	11.4
69.23994	3.8
71.04981	1.9
71.74780	1.5
77.03922	1.6
79.05489	26.2
81.07053	37.7
83.04967	10.0
83.08607	12.6
85.06535	6.4
91.05478	46.0
93.07040	59.5
95.04971	11.7
95.08599	33.0
97.06529	7.8
97.10143	2.7
98.21680	2.0
103.05468	2.7
105.07027	72.9
107.04934	2.6
107.07878	3.2
107.08592	49.5
109.06514	11.8
109.10156	20.1
111.08079	4.1
115.05463	4.2
116.06234	3.4
117.07020	13.7
119.08579	79.1
121.06510	5.8
121.10146	55.0
123.08073	18.1
123.11681	8.7
125.06001	3.6
125.09631	2.8
128.06203	10.9
128.07004	1.5
129.07018	14.0
130.07787	7.3
131.08559	35.0
133.06493	3.3
133.07516	1.6
133.10129	41.7
135.08072	11.1
135.11708	16.7
137.09636	11.0
139.11205	2.6
141.06956	8.8
142.07784	22.3
143.08565	36.7
144.09319	5.3
145.10117	50.8
147.08028	9.7
147.11656	19.9
149.09618	10.9
149.13280	4.1
151.07504	12.2
151.11137	2.3
153.06969	3.7
154.07753	2.8
155.08542	16.2
155.10599	2.8
156.09329	18.8
157.10130	50.1
158.10912	8.9
159.08112	7.2
159.11668	29.8
160.98398	1.6
161.09663	7.6
161.13258	6.1
163.11168	9.4
165.07060	6.9
165.09094	15.3
166.07822	2.3
167.08575	10.7
167.10672	29.8
168.09338	5.6
169.10107	27.8
170.10924	8.4
171.07964	1.8
171.11687	27.1
172.12396	1.8
173.09595	3.8
173.13251	23.3
175.11218	6.2
175.14819	11.4
179.08591	14.0
179.10704	1.4
180.09357	4.5
181.10085	15.4
181.12270	3.7
182.10886	6.9
183.11690	31.4
184.12407	4.6
185.09605	2.1
185.13269	17.5
187.11249	2.5
187.14851	7.9
189.12746	8.7
191.08640	2.2
191.14299	8.6
192.09348	6.4
193.10107	13.9
193.15826	1.7
194.10895	10.0
195.11707	22.6
196.12489	4.7
197.13226	21.9
198.14011	1.8
199.11305	2.9
199.14806	16.3
201.12827	3.0
201.16423	5.9
203.14354	7.2
204.09309	2.1
205.10178	5.0
206.10883	6.7
207.11716	18.9
207.13828	7.7
208.12547	7.6
209.13290	26.3
209.15230	1.9
210.14044	2.8
211.11226	1.6
211.14799	10.6
213.12790	2.1
213.16423	5.1
215.14357	4.9
216.52831	1.6
217.10178	4.2
217.15849	9.5
218.10960	3.4
219.11609	8.1
220.12457	7.3
221.13264	15.9
221.15407	32.1
222.14041	4.4
223.14815	17.6
224.15517	3.1
225.12819	2.9
225.16385	6.3
227.14331	3.3
229.15976	1.6
230.10814	2.0
231.11722	5.7
231.17448	2.0
232.12477	2.9
233.13252	9.6
233.15436	10.0
234.13992	3.0
235.14864	10.9
235.16988	2.7
236.15636	2.3
237.12889	2.5
237.16376	8.1
239.14290	1.9
239.17941	2.4
241.16060	2.4
243.11684	2.5
245.13278	5.8
246.14044	4.8
247.14847	10.2
247.16927	1.9
248.15532	3.3
249.12654	1.7
249.16335	7.7
250.17238	2.0
251.18034	4.8
253.15749	2.0
253.19704	2.1
255.17471	2.9
257.13278	2.4
257.19006	6.7
258.14175	2.2
259.14871	6.7
260.15735	3.6
261.16440	10.1
262.17120	3.2
263.17957	6.8
265.19559	7.2
269.13138	2.1
269.18982	5.0
271.14850	1.9
271.20642	2.9
272.15668	2.3
273.16345	4.5
273.18774	3.0
275.17841	10.8
275.20081	1.6
277.19537	3.0
281.18967	3.0
283.20502	11.1
285.18787	3.3
287.17676	2.8
287.20490	1.7
289.19516	2.4
293.18826	2.2
295.20532	4.1
297.22177	1.9
299.17621	1.7
299.20432	1.8
300.20874	1.5
303.20950	2.5
305.19327	1.6
307.20636	3.5
315.21115	1.8
327.20798	2.0
329.22693	3.5
331.24191	3.4
335.23865	3.5
338.20145	1.6
345.22156	2.0
345.25977	2.2
347.23813	2.1
349.25211	5.5
357.25827	1.8
359.23334	1.8
361.25259	3.9
375.26733	3.8
384.95181	1.6
401.28351	2.3
403.29788	4.2
491.34689	3.1
547.39435	5.0
565.40350	20.3
583.41425	100.0
584.75421	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.7
55.01861	3.1
55.05510	17.4
57.07067	14.2
59.04988	3.2
65.03934	4.2
67.05502	32.0
69.03432	10.1
69.07069	23.9
79.05491	40.5
81.07053	47.7
83.04980	11.4
83.08607	13.0
85.06550	9.7
91.05476	53.0
93.07040	64.1
95.04952	11.9
95.08599	47.9
97.06530	8.3
102.26289	1.9
103.05471	5.0
105.07024	83.3
107.04942	4.9
107.08585	57.1
108.86266	1.8
109.06525	11.4
109.10136	26.7
111.08079	3.3
115.05408	4.4
116.06196	2.9
117.07008	21.4
119.08576	96.5
121.06496	4.4
121.10139	56.4
123.08069	18.6
123.11684	6.9
125.05954	2.9
125.09602	3.8
128.06233	11.9
129.07018	18.4
130.07811	5.8
131.08565	40.9
133.06473	3.2
133.10133	53.1
133.11118	4.4
135.08066	12.3
135.11703	19.9
137.09584	12.1
139.11151	2.4
141.06972	10.3
142.07770	29.3
143.08553	43.0
144.09331	7.3
145.10132	60.8
147.08028	20.5
147.11697	22.3
149.09612	7.5
149.13257	5.5
151.07539	15.0
151.11150	3.6
153.07028	5.5
154.07780	3.2
155.08548	26.6
156.09360	19.0
157.10133	60.3
157.11478	3.1
158.10858	11.0
159.08067	3.8
159.11707	31.3
161.09602	4.5
161.13249	9.8
163.11188	11.0
165.06998	9.4
165.09105	32.7
166.07779	2.8
167.08603	10.0
167.10713	9.8
168.09331	9.5
169.10143	31.4
170.10826	9.3
171.11679	42.9
173.09654	4.9
173.13231	23.9
175.11148	6.4
175.14767	11.7
179.08510	17.3
180.09341	7.0
181.10136	18.9
181.12225	6.7
182.10886	8.1
183.11679	33.2
184.07370	4.3
184.12543	3.5
185.09608	3.1
185.13263	19.3
187.11099	3.8
187.14839	10.1
189.12737	6.6
191.14342	10.6
192.09349	6.5
193.10127	18.2
194.10886	12.7
195.11717	23.9
196.12407	7.0
197.13275	21.9
198.14075	2.3
199.11290	2.6
199.14789	18.4
201.12791	3.8
201.16313	4.7
203.14301	16.3
205.10167	5.2
206.10957	8.1
207.11696	19.6
207.13823	7.4
208.12498	7.4
209.13257	31.8
209.15195	3.5
210.13992	5.3
211.11304	2.3
211.14842	13.7
213.12753	3.0
213.16420	6.1
215.17891	2.4
217.10240	3.2
217.15923	10.4
218.10974	3.7
219.11685	9.6
220.12486	6.2
221.13254	18.7
221.15396	79.5
222.14009	6.7
223.14815	13.8
224.15700	2.6
225.12904	2.7
225.16469	3.8
227.14278	3.2
229.15979	4.5
231.11647	6.6
232.12488	3.1
233.13292	11.9
233.15291	4.1
234.13914	4.8
235.14877	15.6
236.15511	3.3
237.16393	8.7
239.17984	5.2
241.19530	2.7
243.11769	3.0
243.17520	3.0
245.13326	6.3
246.14067	6.5
247.14804	11.5
247.16974	2.7
248.15604	3.9
249.16341	9.2
251.18018	4.2
253.19542	2.6
255.17375	3.0
257.13306	2.9
257.18979	9.1
259.14835	4.7
259.20792	2.1
260.15686	5.9
261.16391	10.7
263.17923	5.5
265.19470	5.9
269.18973	3.7
271.20776	2.5
272.15555	3.7
273.16406	6.3
274.17029	2.2
275.17700	12.1
277.19525	5.6
283.20575	14.6
284.15759	2.2
285.16193	3.2
286.19412	2.8
287.20197	5.2
289.19485	5.4
290.20047	2.3
291.21127	2.3
293.18860	2.7
295.20520	5.5
297.22083	2.3
301.19495	3.1
315.20883	2.7
321.22147	2.3
331.24182	7.5
335.23743	2.4
347.23514	3.3
349.25073	9.1
357.25842	2.5
361.25363	3.6
375.26813	7.5
403.30002	7.2
433.95166	2.1
485.34033	2.2
491.35199	6.6
503.35129	4.3
509.34448	3.4
565.40405	23.6
583.41681	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4146
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	20.9
57.07066	10.1
65.03925	4.3
67.05503	38.8
69.03417	11.4
69.07058	13.8
69.37685	8.9
69.38090	29.3
74.86932	3.7
79.05499	34.9
81.07050	40.2
82.07377	4.6
82.40179	4.0
83.04960	6.5
83.08611	11.3
85.06546	5.6
91.05476	51.4
92.12358	3.6
93.07043	53.5
94.07343	4.9
95.04961	21.3
95.08609	32.8
97.06540	10.2
97.10143	6.0
98.20774	6.2
101.02770	3.4
105.07035	70.5
106.07331	4.9
107.04964	9.6
107.08605	39.3
109.06509	17.2
109.10150	21.2
111.08062	8.2
117.07002	16.6
119.08585	68.9
120.08920	6.8
121.06479	8.9
121.10129	41.9
123.08089	29.3
123.11684	5.6
128.06253	6.9
129.06979	14.0
130.07785	7.4
131.08569	34.2
133.06505	4.3
133.10139	44.2
135.08035	15.6
135.11673	16.9
137.09616	27.8
142.07735	11.7
143.08556	29.3
144.09285	4.6
145.10117	50.6
146.10394	8.1
147.08012	19.4
147.11684	19.1
149.09573	15.2
151.07520	8.3
155.08496	13.2
156.09300	8.4
157.10106	37.0
158.10750	6.8
159.08022	7.4
159.11676	21.6
161.09596	11.0
161.13232	9.7
163.11172	16.6
165.06932	5.8
165.09093	49.8
167.08508	7.1
167.10664	13.0
169.10141	23.0
170.10660	7.0
171.11714	20.4
172.11928	4.1
173.09634	7.4
173.13219	9.9
175.14807	11.2
179.08659	10.7
180.09177	4.3
181.10078	10.2
181.12280	5.6
183.11697	17.4
185.13235	13.8
187.11197	7.4
187.14728	9.0
189.12726	5.9
193.10104	5.2
194.10954	6.3
195.11655	13.5
197.09612	4.9
197.13297	20.1
197.67764	4.4
199.11104	5.8
199.14757	7.8
201.16405	5.0
203.14304	18.9
207.11682	8.3
207.13760	5.5
208.12274	4.0
209.13235	17.7
209.15137	4.1
210.13664	4.4
215.14182	7.1
217.15759	5.0
220.11981	4.4
221.13242	4.3
221.15350	100.0
221.17383	8.8
223.14778	8.7
225.16267	5.2
231.17413	5.8
233.15292	5.7
235.14592	7.1
237.16463	4.7
249.16280	6.4
266.81061	4.0
273.18506	9.4
275.20108	14.5
291.19598	5.9
299.20145	9.2
336.20602	4.2
352.23990	22.1
353.24362	22.1
364.23813	4.5
444.29678	6.1
445.30264	11.6
473.33960	8.2
491.35001	15.5
498.84671	4.4
503.34900	6.4
565.39917	7.6
583.41205	58.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	11.1
55.01868	8.1
55.05513	59.2
56.22580	3.4
57.07061	7.6
67.05504	61.7
69.03436	4.7
69.07068	32.4
69.81120	19.5
70.54540	3.8
79.05493	73.5
81.07056	88.7
83.04964	8.5
83.08622	27.1
83.86600	3.7
83.92397	4.2
85.06544	5.8
91.05470	98.2
93.07041	80.8
95.04967	19.2
95.08605	49.8
97.06496	8.5
97.10175	22.1
105.07026	99.9
107.04919	6.5
107.08576	61.0
109.06484	13.4
109.10159	33.5
109.82289	4.8
110.97617	3.7
111.08076	10.0
115.05407	6.5
116.06186	4.7
116.84611	4.0
117.06991	31.0
119.08575	100.0
121.06512	5.2
121.09380	4.3
121.10137	31.0
123.08040	12.9
123.11753	8.7
125.09621	23.1
128.06200	6.8
129.07014	22.9
131.08556	42.3
131.15720	4.0
133.06462	5.6
133.10123	76.5
135.08043	14.4
135.11705	16.6
137.09531	6.0
141.07002	6.1
142.07797	8.1
143.08607	29.0
145.06480	7.1
145.10115	47.3
147.08038	10.0
147.11684	63.6
149.09641	8.8
149.13220	11.0
151.07556	6.8
155.08531	8.3
157.10121	33.6
159.08047	11.3
159.11707	36.4
161.09583	10.8
161.13217	36.3
161.98067	4.3
163.11185	10.4
165.09041	6.9
167.08591	5.2
169.10062	9.7
171.08063	5.8
171.11647	22.6
173.09657	8.4
173.13235	18.6
175.11287	4.6
175.14822	17.4
177.12781	5.3
181.10072	6.0
181.12183	5.8
183.11716	13.8
185.09572	6.2
185.13226	15.6
187.11189	3.7
187.14851	8.2
189.11186	6.6
189.12749	5.2
193.10187	4.8
193.12248	8.2
195.11665	9.4
197.13248	14.0
199.11153	5.5
199.14845	13.8
203.14326	7.2
209.13254	9.2
211.14760	6.8
213.16376	7.3
220.43994	4.0
221.13338	5.2
221.15228	18.9
231.21132	5.7
239.17921	6.3
241.19533	28.2
257.19016	10.1
259.20566	92.2
271.17081	8.6
273.18350	5.8
275.20148	19.9
285.22321	4.9
289.17969	17.9
291.19708	5.7
313.21494	4.1
329.21082	13.0
356.82175	4.8
379.95160	4.5
395.29416	7.6
421.30771	4.7
491.35651	7.3
529.35797	5.0
547.37695	16.4
557.35712	4.3
565.39038	37.2
583.40820	63.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3973
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98612	1.5
53.03933	7.2
53.88219	1.8
55.01874	14.7
55.05273	2.2
55.05509	30.6
57.03425	6.1
57.07051	5.2
59.04969	3.3
62.72014	1.9
63.21380	1.8
65.03940	3.3
67.05502	47.3
68.19006	1.8
69.03410	5.6
69.07065	31.6
71.04980	4.9
71.52962	1.9
71.53398	2.3
79.05491	62.9
81.03417	13.6
81.07054	100.0
83.04987	15.8
83.08237	2.0
83.08623	20.9
85.06534	4.6
91.05477	68.9
93.07041	67.0
94.71487	1.7
95.04978	23.0
95.08604	39.8
97.06521	11.8
97.10155	7.1
99.08083	2.8
103.05475	2.8
105.07027	63.7
107.04951	35.1
107.07885	2.7
107.08590	43.4
109.05812	2.9
109.06511	43.6
109.10152	17.1
111.04452	3.9
111.08057	7.9
115.05445	5.7
116.06203	3.0
117.07018	32.0
119.04937	2.3
119.08571	57.7
121.06488	19.2
121.10135	39.0
123.08057	23.2
123.11687	5.6
125.05939	2.2
125.09633	9.6
128.06233	6.3
129.06989	17.1
130.07762	7.5
131.08559	49.8
133.06467	10.1
133.10126	37.3
135.04413	2.1
135.08054	15.2
135.11694	23.7
137.05951	2.3
137.09645	9.2
137.13182	2.2
141.06989	6.1
142.07751	8.1
143.08543	26.0
145.06445	7.2
145.10117	58.2
147.08038	16.7
147.11664	20.9
149.09621	36.8
149.13243	5.1
151.07529	4.1
151.11143	4.9
153.09088	3.9
155.08585	10.7
156.09335	4.6
157.06532	3.3
157.10115	26.4
158.10812	2.1
159.08032	6.6
159.11678	27.5
161.09639	22.4
161.13219	7.0
163.11186	25.9
165.07057	2.4
165.09120	4.9
165.12791	3.9
167.08522	4.4
167.10667	9.7
169.10100	13.6
170.10866	3.1
171.07994	3.3
171.10240	2.7
171.11671	21.1
173.09601	13.2
173.13252	13.0
175.11182	12.9
175.14767	5.4
177.09000	2.3
177.12704	6.8
178.16776	1.9
179.14285	2.3
181.10033	5.0
181.12196	4.3
183.11740	9.5
184.07364	2.0
185.09651	3.4
185.13284	11.5
187.11172	7.4
187.14813	4.7
189.11220	3.8
189.12720	7.5
191.10693	12.2
191.14214	4.0
193.10149	4.4
193.12021	2.7
194.10811	1.9
195.11693	9.3
197.13213	7.1
199.11168	5.5
199.14853	5.6
201.12634	4.8
201.16379	5.1
203.10666	2.4
203.14285	4.6
207.11696	4.5
208.12572	1.9
209.13261	7.2
211.14830	5.2
213.12759	4.4
213.16357	6.9
215.14359	2.9
215.17883	2.0
217.12149	4.7
219.13832	5.0
221.13240	5.1
221.15367	6.8
223.14984	2.3
227.17969	5.9
229.15929	2.2
229.19360	4.2
231.17468	2.4
233.15320	3.8
235.14767	2.5
237.16402	4.0
239.17924	5.8
245.18985	7.2
247.20528	2.9
249.18604	3.8
255.17336	14.1
257.19000	24.2
273.15530	2.5
273.18494	66.6
275.20074	77.9
283.20676	2.1
291.19528	87.1
293.21088	17.4
309.20569	7.4
348.14032	2.0
359.25763	2.8
409.27643	3.0
427.28329	3.8
431.04218	2.3
437.30557	2.9
445.29492	4.5
447.19925	1.9
455.31406	5.7
529.36249	5.0
547.38153	9.0
565.39209	23.1
583.40778	49.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.8
55.01867	2.4
55.05488	0.7
63.00417	0.7
63.02347	0.8
65.03938	4.2
67.05493	2.9
69.03403	0.9
69.93462	1.0
69.93874	2.9
70.06583	1.5
71.01320	0.8
79.05484	5.7
81.03411	3.1
81.07085	0.8
85.02906	2.1
91.05473	5.3
93.03384	1.3
93.07042	1.7
94.04192	2.3
94.76381	0.7
95.04978	7.6
95.08595	0.7
97.02869	0.9
97.06539	2.0
98.20811	0.8
103.05465	17.8
105.03406	1.7
105.07008	2.3
107.04961	8.7
108.02085	2.0
109.02885	3.0
109.06519	1.3
109.10152	0.9
111.04443	1.2
115.05456	3.9
117.07040	3.6
118.04173	3.3
119.04927	2.6
121.06504	3.3
122.03659	5.2
123.04426	3.2
124.05235	0.9
125.02348	1.2
125.05994	3.1
127.03906	0.8
128.06200	1.2
129.07002	3.0
130.04155	0.9
131.04926	24.5
131.08557	0.9
132.05713	1.1
133.02849	2.4
133.06520	4.9
135.04410	3.5
135.08075	1.9
137.05971	65.3
138.92012	0.7
141.05435	2.1
142.02614	1.0
143.04910	2.7
144.05695	1.1
145.06508	5.1
146.03659	1.4
146.07263	1.0
147.04419	3.1
147.08061	1.9
148.05177	7.4
149.05948	4.1
150.06805	1.1
151.03903	100.0
151.04985	6.9
153.05435	2.7
157.06503	1.9
159.08046	1.2
160.05164	1.7
161.05968	6.2
162.06714	0.9
163.03888	1.6
163.07535	17.2
163.08820	1.3
163.90315	0.7
165.05493	4.8
165.06749	0.7
167.07030	17.0
171.04480	0.9
173.05992	4.8
174.06694	0.9
175.07533	7.1
176.04669	1.9
177.05461	4.8
177.09094	0.8
178.06345	1.6
178.07797	0.9
179.07024	2.1
179.08568	1.0
181.04964	18.7
181.06534	1.5
181.08586	1.7
187.07553	2.4
189.05447	1.4
189.09111	1.5
191.07024	80.7
192.07756	1.1
193.05013	1.1
193.08643	1.7
195.06544	6.1
196.07301	1.1
199.07544	1.5
201.05476	1.3
203.06990	4.3
205.06577	1.8
205.08606	4.7
207.06464	1.2
207.08246	0.9
207.10147	1.7
209.08058	5.8
211.07529	0.8
215.07037	1.0
217.08601	2.7
219.08234	1.4
219.10240	2.5
221.05991	1.0
221.07970	1.5
223.07591	1.1
223.09616	1.4
227.07056	1.3
229.04927	0.8
231.06384	1.4
233.07999	4.7
234.06850	0.9
235.07535	2.0
235.09686	4.1
237.09131	2.5
239.07001	1.2
239.10623	0.9
247.07385	0.9
249.09071	1.5
250.06166	1.1
253.08673	1.4
259.09900	0.9
263.06787	0.5
263.09152	9.2
265.08609	2.3
266.09470	0.8
267.10129	2.1
269.07944	0.8
277.08557	1.6
279.10123	0.9
283.09546	1.8
293.08188	1.7
295.09619	2.8
297.11145	2.0
299.09180	0.9
299.12802	0.9
307.09427	1.5
309.11136	2.0
311.12579	1.0
313.10736	1.0
325.10587	1.9
327.12219	4.4
329.13824	1.7
337.10590	1.9
339.12244	2.1
341.13956	1.1
351.12247	1.5
355.11728	9.2
355.15579	1.0
357.13232	2.6
369.13248	3.6
387.14392	16.3
542.23828	0.8
553.21448	1.0
565.20288	1.8
583.21484	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	583.2186
Annotation	Buddlenol A
Peak:m/z	Relative Intensity
53.03941	1.4
55.01870	2.6
59.90025	1.0
63.97240	1.1
65.03934	2.0
67.05504	2.6
68.91412	1.0
69.03443	2.7
69.86878	3.1
69.87285	2.3
70.06579	1.0
78.04710	3.0
79.05502	8.4
81.03420	6.6
86.09749	1.0
91.05480	7.5
93.07053	1.7
94.04190	2.9
94.32487	1.1
95.04966	8.5
97.06537	1.5
103.05470	5.6
105.07039	7.0
106.04222	1.6
107.04964	18.4
109.02888	4.3
109.06522	1.7
111.04433	1.3
115.05450	9.8
117.07040	7.9
118.04134	1.1
119.04927	1.8
119.08565	1.6
121.06515	3.2
122.03666	10.3
123.04420	7.5
124.05260	3.0
125.02350	2.9
127.03970	1.4
131.04933	5.1
132.05724	2.0
133.02861	4.3
133.06480	6.2
135.04442	3.0
137.05980	100.0
139.03882	1.1
140.54915	1.0
141.07004	1.8
143.04950	3.6
144.05743	2.5
145.06490	12.6
146.03670	1.6
147.04428	3.5
147.08032	3.8
149.05966	4.8
151.03915	21.5
151.04968	1.0
151.07593	2.9
152.04678	1.9
153.05473	4.3
153.07028	1.0
155.06058	3.5
156.05695	2.5
157.06557	1.4
159.04440	1.8
159.08093	1.4
160.05238	2.0
161.05997	10.8
163.07507	2.4
165.05501	3.9
165.09195	1.4
167.07043	70.6
168.07344	1.1
172.05223	1.9
173.05991	12.7
175.07527	8.9
177.05510	7.2
179.07037	6.8
181.04987	17.9
181.06487	1.6
181.08566	2.4
184.05254	1.1
185.05975	1.6
187.07573	3.9
189.05482	2.5
190.06273	3.0
191.07072	5.5
191.08586	1.3
192.07808	1.3
193.08620	7.6
195.06523	8.8
196.27489	1.1
198.06781	1.5
199.07521	1.8
201.05461	2.4
203.07062	3.5
205.08615	11.5
207.06461	7.8
207.08298	1.2
207.10164	3.5
208.26831	1.1
209.08083	3.2
210.06755	1.2
211.07542	2.4
213.05531	1.3
214.05676	1.2
215.06879	1.3
217.08563	7.3
218.05560	1.4
219.06395	1.4
219.08255	1.9
219.10216	3.9
221.08171	2.4
223.09688	1.5
225.05527	1.3
226.06284	4.0
229.08594	2.1
233.06076	1.4
233.08125	4.1
234.06616	1.6
235.07477	2.7
235.09674	14.1
237.11270	1.5
239.06889	1.1
240.07765	1.6
241.08658	6.9
246.06741	1.3
247.07446	2.4
247.09767	1.7
251.07005	2.1
255.06345	1.5
257.08228	2.7
261.09091	2.1
263.06921	2.4
265.10815	1.1
267.28418	1.4
268.07324	2.2
269.08112	4.3
271.05991	2.4
276.07913	1.5
277.08707	2.5
278.05673	1.0
279.06512	1.3
283.05856	1.2
283.09448	1.5
286.08289	1.1
289.11002	2.2
293.08188	1.3
295.09698	3.0
296.06787	1.2
297.07642	2.3
301.10870	5.3
306.08676	1.3
307.09549	2.7
309.07468	1.7
309.10880	1.7
311.09256	1.6
314.07886	2.6
315.12213	1.8
321.11102	1.7
323.09320	2.4
325.10773	1.2
327.12341	2.5
329.10272	12.9
331.11774	3.5
333.11047	1.3
335.09543	1.9
337.10782	3.1
338.11496	1.4
339.12173	2.7
349.10840	2.5
351.12283	3.6
355.11758	3.8
356.15836	1.6
357.13263	4.7
363.12473	1.7
367.11716	3.1
369.13312	2.8
371.14731	2.1
381.13437	6.2
383.14886	2.1
385.12747	5.1
387.14508	12.2
391.11649	1.6
395.14954	1.7
397.12918	2.1
399.14218	3.6
401.15674	1.1
411.14380	4.7
421.09076	1.4
429.15616	2.6
441.15323	3.2
459.16495	20.1
535.19751	2.8
547.19763	5.4
553.20917	10.2
565.20740	17.2
583.21735	23.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51748	1.8
59.63918	2.1
61.75992	1.6
65.03920	3.2
67.05482	2.5
69.03395	3.6
71.50200	4.5
72.43436	2.0
78.04664	2.2
79.05484	9.8
81.03426	10.2
81.07043	3.4
83.04976	2.5
85.02911	2.9
91.05494	10.2
93.07029	4.1
94.04169	3.3
95.04964	18.5
97.02891	3.3
97.06507	3.0
103.05450	6.9
105.07008	6.7
107.04955	29.0
108.96944	1.7
109.02890	11.1
109.06464	3.3
115.03943	1.9
115.05467	9.5
117.06981	9.0
119.04929	3.2
121.06486	3.7
122.03629	6.8
123.04403	7.6
125.02320	5.4
125.05994	2.3
129.06995	1.9
130.06488	3.1
131.04935	9.1
131.08597	2.4
132.05717	3.7
133.02835	4.9
133.06497	10.9
135.04387	2.1
137.05974	100.0
143.04868	5.2
144.05656	2.7
145.06468	16.0
147.08009	3.7
149.05940	8.8
151.03905	39.9
151.04993	1.5
151.07541	2.7
152.04698	3.3
153.05432	7.7
159.08025	4.6
160.05173	4.5
161.05983	17.2
163.03882	3.3
165.05489	11.5
167.07036	79.2
167.08461	4.4
173.05991	11.5
175.07481	7.4
177.05476	13.0
179.07010	7.9
180.07858	2.3
181.04936	17.1
181.08566	4.2
184.07361	2.0
187.07578	4.6
189.09105	2.1
190.06198	2.4
191.06989	7.5
192.07794	4.7
193.08632	8.4
195.06558	15.6
197.05998	2.2
201.05365	2.4
203.07021	3.5
205.06802	2.2
205.08594	12.0
207.06490	9.6
207.08160	2.5
207.10121	2.2
209.07983	5.6
210.08807	3.9
211.07492	3.6
213.07510	4.2
217.08635	7.1
219.08270	2.6
219.10159	4.7
221.07980	4.4
226.06201	3.2
227.08955	3.0
233.08051	9.2
234.06717	3.2
235.07637	3.7
235.09665	15.5
235.11755	2.5
241.08539	4.6
247.09727	3.6
248.08362	2.6
250.66357	1.9
255.06599	3.4
263.07062	2.6
264.07941	2.5
267.09891	2.2
269.08035	5.6
271.05957	4.7
271.09576	2.5
277.08450	4.9
285.07471	4.0
289.10733	3.4
293.08035	3.9
295.09604	4.2
297.07599	2.0
297.11053	4.5
301.10645	6.1
306.08994	2.2
307.09412	2.7
309.11014	4.3
314.07770	3.7
325.10730	4.7
329.10138	12.1
335.09204	2.2
337.10602	5.1
339.12158	4.1
351.12271	2.6
355.11777	10.4
357.13373	4.0
365.09900	3.5
367.11429	2.5
369.13364	5.1
381.13159	5.2
385.12930	4.7
393.13474	2.0
397.12921	2.6
399.14432	5.2
411.14240	7.4
429.15158	3.6
459.16522	19.5
476.14658	2.3
517.18439	2.4
535.19672	3.6
547.19470	7.1
553.20410	8.4
565.20605	20.6
583.21460	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.6
55.01857	2.1
55.23949	1.4
67.05515	3.7
69.03431	4.6
69.31367	15.1
70.54711	1.6
71.01356	2.0
75.52258	2.1
79.05492	12.9
81.03422	8.6
81.07053	5.6
85.02911	3.0
91.05480	4.9
93.07038	6.6
95.01373	1.8
95.04966	72.5
95.05580	3.7
97.02862	11.3
97.06517	2.3
97.41298	1.5
103.05469	7.7
105.04493	1.8
105.07031	3.6
107.04955	100.0
109.02135	3.3
109.02879	56.4
109.06506	4.7
115.05379	1.5
121.06509	16.2
123.04430	14.0
125.02349	30.0
125.06001	3.1
127.03878	3.1
131.04936	8.5
133.02879	4.3
133.06573	2.9
135.04419	6.3
137.05980	12.3
139.03957	7.5
145.06522	1.8
149.05980	24.8
151.03902	96.4
151.07509	2.2
153.05435	12.3
159.04492	3.9
161.05972	2.7
163.03891	1.6
165.05482	33.8
167.07027	18.7
175.07590	2.1
177.05481	47.8
179.07057	1.9
181.05002	4.3
193.08609	1.7
195.04755	3.6
195.06532	65.1
203.06996	2.2
205.08723	1.7
209.08078	20.3
213.07535	11.2
227.09169	7.0
303.36127	1.7
339.10913	3.6
357.12018	3.0
583.21722	4.7
605.56854	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30375	1.6
53.03946	5.3
55.01856	3.3
58.45021	1.7
62.56270	2.1
65.03947	2.7
67.05502	3.6
68.10233	1.9
69.03436	3.9
69.36530	1.8
77.08593	1.8
79.05489	15.0
81.03397	10.0
81.07063	3.9
85.02935	2.5
91.05494	14.4
93.07039	5.4
94.04179	3.2
95.04963	44.1
97.02900	6.2
97.06527	2.8
103.05474	9.8
105.07035	8.3
107.04952	60.6
107.05639	3.8
107.07481	1.9
109.02872	25.3
109.06509	3.8
115.05482	13.2
117.07015	9.9
119.04973	2.9
121.06471	11.2
122.03646	6.2
123.04417	17.3
124.05170	2.5
125.02374	15.9
125.05994	5.4
127.03939	4.4
129.07002	2.7
129.57480	1.8
130.06528	5.1
131.04932	8.9
132.05731	4.1
133.02850	6.7
133.06494	10.9
135.04413	6.5
137.05974	100.0
139.03870	5.4
141.05417	2.3
143.04915	7.4
145.06497	14.4
147.04361	4.1
149.05933	13.6
151.03908	68.1
151.05132	3.8
151.07552	5.6
152.04594	2.3
153.05457	10.7
155.06030	2.4
159.04396	2.5
160.05197	3.6
161.05960	22.3
163.03889	2.3
163.07562	3.9
165.05476	22.9
167.07034	88.9
173.06000	13.0
175.07570	8.0
176.07010	2.3
177.05447	27.1
178.06331	1.8
179.07054	8.1
181.04919	11.9
181.08586	5.6
183.08051	3.0
187.07538	4.6
189.05461	2.2
191.06967	9.5
192.07794	2.2
193.08647	12.5
195.06531	38.7
195.08253	2.8
197.06012	2.8
199.04269	2.3
199.55956	1.9
203.06982	4.2
205.08594	12.5
207.06528	8.3
207.10030	3.8
209.07991	11.4
213.07588	7.6
217.08636	8.0
219.10176	5.3
226.06224	2.4
227.09128	5.0
231.10223	2.5
233.08043	7.9
234.06924	2.8
235.07568	4.3
235.09695	11.8
239.07027	4.2
241.08603	6.8
247.09720	2.7
259.07584	2.5
261.09232	2.2
263.07074	3.4
264.07639	3.3
265.08566	2.8
268.07468	2.8
269.08115	6.6
281.11578	2.0
283.09665	2.4
287.08929	2.1
291.06476	2.0
291.10275	3.1
293.08234	2.9
295.09686	3.3
297.07578	2.5
301.10745	3.5
305.08124	3.1
306.08981	2.0
307.09552	4.4
309.11313	3.7
314.08063	3.2
325.10583	3.0
327.12140	5.5
329.10062	13.4
331.11609	3.8
333.11279	2.5
335.09204	3.5
337.10840	5.0
339.11771	2.2
351.12329	5.1
355.11807	5.5
357.13171	5.2
363.12399	2.7
367.12085	2.5
373.12686	3.7
374.16919	2.2
381.13382	6.3
383.14676	3.6
385.12753	4.4
397.12985	2.7
399.14417	6.0
411.14313	5.7
459.16330	16.5
494.15585	2.2
547.19373	7.7
553.20557	7.7
565.20801	17.4
583.21497	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	583.1231
Annotation	5'-Methoxybilobetin
Peak:m/z	Relative Intensity
53.37113	0.2
55.05505	1.2
57.03401	0.2
67.01854	1.8
67.05498	3.0
68.99744	0.6
69.03372	0.8
69.07024	0.3
70.96751	0.5
70.97127	0.5
71.04948	0.4
79.05434	1.1
81.03413	3.0
81.06995	1.0
83.04924	0.7
83.08564	0.8
83.51915	0.3
85.02856	0.6
91.05475	1.6
93.06985	0.3
95.04897	1.0
95.08571	0.5
97.02837	0.8
97.10178	0.2
105.06995	0.5
107.04920	0.3
107.08561	0.4
109.02826	0.6
109.10139	1.9
111.04402	0.5
112.63388	0.2
119.08498	0.8
121.10068	0.3
127.03841	0.4
131.08501	0.4
133.10109	0.5
137.09515	0.3
147.07956	0.2
147.11650	0.3
149.09575	0.2
153.00610	0.4
153.01811	8.2
157.10115	0.3
171.02815	0.9
173.11694	0.6
175.11197	0.4
189.11183	0.4
193.12172	0.9
211.13239	1.6
225.05273	0.3
229.04936	0.7
229.14378	0.5
242.05634	0.8
255.04082	0.3
255.06526	4.6
256.07275	1.3
257.04401	1.9
258.05240	3.4
271.05911	0.8
283.05981	4.7
284.06726	2.7
285.03986	0.6
286.04706	4.7
291.35333	0.3
297.03955	0.4
299.05432	0.7
299.14981	0.3
349.07199	0.4
355.17563	0.6
361.06998	0.3
385.07034	10.1
386.07489	0.4
387.04880	0.4
411.05017	0.5
415.08197	0.4
429.05954	2.5
431.11261	9.7
432.11758	0.5
433.08966	1.2
457.09265	0.5
475.10306	0.7
495.06839	0.8
515.13251	0.3
537.08136	42.2
538.08209	1.5
541.10980	1.4
565.30145	0.3
567.09100	1.5
583.12305	100.0
584.12659	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	582.4062
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	10.6
67.05502	19.3
69.03423	8.8
69.07065	15.1
70.04785	33.7
79.05477	24.5
81.07050	25.6
83.08553	8.4
86.76791	6.0
88.35983	6.2
91.05460	33.9
93.07044	34.7
95.04973	62.6
95.08600	19.2
98.20818	7.7
105.07017	56.8
107.08569	33.6
109.06480	9.6
109.10155	18.9
117.07021	24.7
119.08584	60.3
121.10130	40.5
123.08074	20.3
123.11694	8.8
128.06213	10.6
129.07033	21.2
131.08565	44.6
132.09332	8.3
133.10133	27.5
135.08058	14.3
142.07822	12.2
143.08562	50.0
144.09256	11.1
145.10097	56.9
147.11710	13.7
149.09619	12.9
155.08537	20.1
156.09354	20.0
157.10117	38.9
158.10822	11.7
159.08032	9.2
159.11673	23.1
161.09613	16.0
166.07793	7.4
167.08580	16.0
168.09337	10.3
169.10135	34.8
170.10922	6.7
171.11684	30.2
173.09665	13.1
179.08569	11.4
180.09322	8.2
181.10126	27.8
183.11687	34.0
185.09535	9.7
185.13234	15.8
187.11180	14.9
188.12111	8.4
191.14403	8.5
192.09319	9.4
192.91565	6.5
193.10159	13.2
194.10959	11.2
195.11717	36.3
196.12570	6.6
197.13258	25.1
199.11162	14.3
199.14787	14.0
205.10124	8.4
207.11690	17.4
209.09631	7.9
209.13283	20.1
211.11259	8.8
211.14915	12.2
213.12758	14.8
221.13251	13.3
223.11194	8.2
223.14813	14.9
225.12726	15.0
227.14313	15.8
233.13304	12.5
247.14856	8.8
248.15646	8.0
249.16295	9.6
259.14932	7.8
261.16403	11.4
262.23837	6.3
263.14310	7.1
269.19174	7.4
273.18491	67.6
275.23389	7.1
287.20090	6.7
289.15735	15.3
291.17499	10.6
291.20923	11.0
299.19986	25.2
319.20663	8.9
323.00024	7.8
337.21649	18.9
352.24017	100.0
365.24774	13.7
407.11453	8.6
443.29642	8.3
444.29999	46.1
490.34741	17.3
582.40417	89.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.8
55.01868	4.1
55.05509	1.6
57.03431	0.9
57.07057	1.0
58.06583	0.6
59.05002	0.6
61.02907	0.9
65.03935	1.0
67.05503	6.8
69.03430	5.1
69.38686	1.6
69.39100	2.6
71.04992	12.7
73.02918	4.1
73.06557	1.3
79.05477	2.0
81.03414	1.2
81.07054	4.8
83.04961	1.4
83.08613	1.8
85.02904	7.5
85.06542	5.6
86.03232	0.5
87.04469	0.7
89.03880	0.5
91.05486	1.1
93.07040	2.0
95.04967	20.5
95.05579	1.2
95.08592	2.2
97.02901	3.8
97.06532	0.8
97.10169	4.7
99.04454	0.7
99.89822	0.5
105.07034	1.3
106.04161	1.0
106.07405	0.6
107.04961	2.6
107.08602	10.3
109.02841	0.8
111.08077	0.6
113.06006	0.8
115.03918	1.6
119.08607	0.7
120.06573	0.7
121.06491	1.4
121.10133	7.3
123.11709	6.6
125.05946	1.6
125.09631	27.7
127.03909	1.9
129.14578	0.6
130.04167	0.5
131.04916	0.7
133.04919	1.7
133.06468	0.7
137.05980	3.1
139.11165	2.0
141.12746	3.2
143.10669	100.0
144.11006	0.8
145.04955	1.5
149.05998	3.1
150.06358	0.6
151.03943	0.9
165.05516	0.9
167.07083	4.3
167.10680	4.7
168.07307	1.1
177.05470	3.7
178.05800	1.0
181.04959	4.7
181.08554	1.3
182.05328	1.0
183.13821	4.8
185.11707	1.8
193.08566	0.9
194.08917	0.6
201.14908	0.6
209.08083	8.2
210.08441	3.2
217.07088	0.6
221.08040	0.7
235.09731	0.6
235.16948	9.6
236.09975	0.6
247.09523	0.8
253.17982	10.5
259.86230	0.5
266.11050	0.9
271.05966	2.0
272.06287	3.0
273.06613	1.4
274.06918	1.5
275.25421	0.5
287.05539	3.6
288.05869	3.9
372.15228	0.8
387.14380	0.6
390.16064	0.8
401.15805	0.5
402.16443	0.6
434.01831	0.5
437.20401	1.7
450.11197	0.5
582.22803	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.5
55.01867	1.4
55.05499	1.9
57.03418	1.1
57.07063	1.0
59.04967	1.3
60.08160	3.0
62.06067	1.5
65.03915	1.3
67.05498	8.5
69.03422	4.4
69.07059	0.8
70.06587	0.6
70.64889	1.0
71.04611	0.8
71.04987	13.5
73.02650	0.4
73.02925	4.2
73.06547	1.2
79.05489	1.6
81.03427	1.2
81.07047	5.3
83.04964	1.3
83.08616	1.2
85.02900	3.9
85.06540	5.2
91.05469	2.2
93.07047	2.5
95.04961	21.0
95.08589	2.3
97.02882	3.2
97.06516	1.3
97.10160	4.7
99.42435	0.5
103.05440	1.1
105.07010	1.0
107.04951	2.3
107.08583	11.4
109.02867	1.0
109.10114	0.6
111.04410	1.4
111.08064	1.3
115.03917	1.7
115.05378	0.6
115.68006	0.4
119.04926	1.0
121.06487	0.8
121.10139	10.6
123.04480	0.5
123.08046	1.0
123.11691	4.4
125.05987	2.0
125.09618	21.9
127.03916	1.7
127.11158	0.6
131.04929	1.5
133.04958	1.1
133.10074	1.4
135.04419	1.1
137.05927	2.9
137.09653	0.9
139.11172	2.6
141.12701	1.7
143.10664	100.0
144.11044	0.8
145.04956	0.9
145.10094	1.1
147.04420	0.6
147.11653	0.9
149.05952	5.2
149.09578	1.6
151.03926	1.5
153.05441	5.0
159.10236	0.6
161.05919	0.7
163.03975	0.6
163.07503	0.6
165.05498	0.8
165.12724	1.1
167.07039	4.4
167.10655	4.3
177.05473	1.4
181.04921	2.0
183.13794	3.8
185.11713	3.6
193.08646	0.6
195.06531	3.8
201.14854	1.1
209.08115	0.8
235.16931	9.9
237.09108	0.9
238.66611	0.6
240.19617	1.1
253.17979	11.1
258.20688	1.3
275.14920	1.5
287.05487	18.3
288.05820	20.3
289.06036	1.3
299.14972	0.6
301.02249	0.7
329.15997	0.8
385.12305	0.5
432.15619	1.3
437.19940	1.3
450.11246	4.3
548.95239	0.6
564.28265	3.8
582.29669	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.42
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.5
55.01871	2.4
55.05510	16.6
57.03427	3.7
57.07065	3.8
66.85446	2.1
67.05503	30.0
69.03416	2.4
69.07066	16.9
71.04990	2.5
71.51492	2.2
73.26169	1.9
79.05492	23.0
81.03421	2.1
81.07052	31.4
83.04971	2.8
83.08617	11.8
86.09692	4.7
91.05477	27.0
93.07040	30.3
93.41624	2.1
95.04969	8.9
95.08611	23.5
97.06538	4.8
97.10180	3.3
105.07026	28.2
107.04997	2.9
107.08584	23.3
109.06538	5.4
109.10138	13.4
111.08134	2.2
115.05453	4.1
117.07029	12.1
119.08575	27.0
121.06504	3.2
121.10144	24.9
123.08070	7.1
123.11700	5.7
125.00006	4.2
128.06219	5.8
129.07019	12.6
131.08560	18.4
133.10129	33.1
135.08080	5.4
135.11710	7.9
137.09697	3.1
139.11218	2.2
141.07021	5.9
142.07782	6.0
143.08562	22.8
143.09596	2.8
145.10127	25.9
147.08067	4.3
147.11714	8.7
149.09639	4.1
149.13292	2.7
151.07553	5.5
153.07047	3.0
154.07811	3.5
155.08540	14.0
156.09361	6.1
157.10123	26.9
159.08064	2.3
159.11705	14.5
161.09648	3.0
161.13286	4.4
163.11198	2.9
165.07080	2.9
165.09129	3.7
167.08575	10.6
167.10646	12.0
168.09312	4.5
169.10121	21.3
171.11696	16.7
173.09680	4.8
173.13281	12.9
175.14807	3.9
178.07787	2.2
179.08609	5.5
181.10132	12.3
181.12224	2.3
182.10945	2.3
183.11678	17.4
184.07346	16.8
185.13246	13.1
187.11125	2.6
187.14857	6.3
189.12735	2.3
191.08743	1.8
191.14484	2.1
193.10187	5.7
194.10941	2.4
195.11690	12.8
196.12514	3.0
197.13263	12.4
199.14703	9.6
201.16412	2.8
203.14299	3.3
205.10213	2.1
207.11719	8.4
207.13614	2.7
208.12547	2.8
209.13219	13.0
211.11298	2.2
211.14819	11.9
213.16487	4.8
215.14378	3.4
219.11746	3.6
220.12590	2.1
221.13303	6.3
221.15446	7.8
223.14883	8.3
225.16438	5.6
227.18031	3.9
231.11664	3.3
232.12453	2.4
233.13269	4.6
233.15279	4.3
234.14035	2.4
235.14865	5.4
237.16478	6.5
239.18027	5.4
245.13182	2.9
247.14848	4.3
249.16460	4.6
251.18089	3.9
253.19615	2.8
261.16400	3.5
263.17850	3.5
265.19641	3.9
277.19339	2.4
287.05402	11.7
288.60947	1.9
317.22897	2.4
321.22867	2.2
369.30423	2.8
405.27765	2.9
444.56610	2.1
471.36523	3.7
479.17212	2.3
489.37567	16.8
507.38229	7.4
563.40674	16.1
581.41681	100.0
582.41913	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	580.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	7.8
56.05032	6.6
59.04957	10.0
67.05506	10.3
69.03419	16.4
70.06584	13.4
70.65795	6.7
70.76013	23.2
76.36292	7.7
77.02321	6.1
77.63915	6.8
79.05488	35.5
81.03417	15.3
85.02900	19.2
91.05450	15.0
93.07002	7.9
95.04984	36.0
97.02933	8.3
100.25368	9.1
103.05450	16.4
107.04943	98.7
108.05285	7.9
109.02872	76.6
111.04441	14.0
121.06499	20.6
122.73983	6.6
123.00806	9.4
123.04415	9.1
131.04938	20.6
135.04408	64.5
136.98512	7.1
137.05951	22.4
138.05501	16.4
139.03912	44.0
141.05429	9.2
149.05984	36.3
151.03893	26.5
153.05531	7.8
161.05917	11.9
164.07088	7.1
165.05493	73.3
167.07051	64.7
168.07370	23.4
176.07042	6.9
177.05507	66.4
178.05873	8.0
181.04916	11.8
191.06973	10.0
194.97812	8.8
195.06491	29.5
209.08083	100.0
210.08470	8.6
218.36873	7.2
238.10669	8.3
287.05322	8.2
369.11804	36.3
445.99335	7.3
555.33209	8.2
580.18964	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	581.1497
Annotation	Kaempferol 3-apiosyl-(1->2)-glucoside
Peak:m/z	Relative Intensity
57.03428	0.4
62.26801	0.1
67.01857	0.4
68.99804	0.2
70.79861	0.4
70.80220	0.2
73.02911	1.4
75.00430	0.1
85.02930	0.2
86.29994	0.1
88.39240	0.1
97.02866	0.2
115.03933	0.3
135.04453	0.9
137.02336	0.3
153.01820	2.7
161.02336	0.4
171.02882	0.3
186.35448	0.1
241.04915	0.3
259.05872	0.2
269.04446	0.2
287.05490	100.0
288.05792	1.7
449.10800	15.0
450.10959	0.3
460.66104	0.2
566.90796	0.1
586.53070	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3987
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89358	1.8
50.90001	2.2
51.05370	1.9
51.32533	2.1
53.03935	3.9
55.01877	2.7
55.05511	14.3
55.05929	2.1
57.03443	2.2
57.07064	7.0
59.04989	2.6
67.05501	23.0
69.03413	8.4
69.07072	16.6
78.59874	2.4
79.05486	27.9
81.03436	3.5
81.07056	34.5
83.04972	7.4
83.08612	5.9
85.06527	3.6
91.05477	30.2
93.07037	45.2
95.04967	16.5
95.08598	31.0
97.06538	8.4
97.10181	2.8
103.05467	3.6
105.07021	60.4
107.04919	2.8
107.08591	35.5
109.06541	14.0
109.10158	14.7
111.08064	3.3
111.66978	2.0
114.38976	2.1
115.05413	4.2
117.06992	12.5
118.07642	2.1
119.07730	2.7
119.08578	49.1
119.09381	3.9
121.06525	6.9
121.10137	48.8
123.08041	17.3
123.11710	7.2
125.09641	6.1
128.06221	8.9
129.06996	12.9
130.07773	6.2
131.08548	31.6
133.06490	2.7
133.10127	47.6
135.08054	7.5
135.11703	12.9
137.09634	7.9
139.11198	2.5
141.06990	8.2
142.07744	12.7
143.08575	21.4
145.10115	38.0
147.08072	18.5
147.11691	13.2
149.09604	19.2
151.07536	15.0
153.06975	4.1
155.08557	11.0
156.09381	10.1
157.10101	29.6
158.10997	5.9
159.08092	8.6
159.11658	22.3
161.09653	8.8
161.13292	2.8
162.74170	2.1
163.11172	6.1
165.06978	5.6
165.09079	20.3
166.07761	3.1
167.08594	7.2
167.09215	3.3
167.10655	33.0
168.09370	5.1
169.10133	17.0
170.10948	8.4
171.11671	24.1
172.12460	3.1
173.09634	8.1
173.13232	20.1
175.11261	4.9
175.14861	6.2
177.09198	2.3
179.08569	6.4
180.09372	3.2
181.10126	9.3
181.12309	6.9
182.10916	5.9
183.11682	13.4
184.07541	2.6
184.12465	2.8
185.09624	5.4
185.13220	13.7
187.11153	4.9
187.14793	11.7
189.12746	6.0
191.14322	3.5
193.10175	7.5
194.10875	7.5
195.11719	15.8
195.13358	2.9
196.12508	6.2
197.13261	12.2
199.11270	4.0
199.14864	9.8
201.12668	2.8
203.14331	8.2
205.10275	3.0
206.10873	5.6
207.11708	11.8
207.13760	6.4
208.12462	5.4
209.13269	14.5
209.15102	3.3
210.13785	3.8
211.14790	10.7
213.12779	5.8
213.16344	3.1
215.14386	7.2
218.11014	2.7
219.11775	4.5
220.12492	4.2
221.13269	9.9
221.15294	47.9
222.14088	2.6
223.11163	5.0
223.14821	7.2
224.15489	3.6
225.12895	3.2
225.16426	5.6
227.14369	3.0
229.15930	2.9
231.11647	3.9
233.13281	7.0
233.15392	9.6
235.14905	8.3
237.16389	6.9
239.14346	2.3
239.17885	2.7
241.15779	2.4
247.14847	6.4
247.17122	3.1
249.16597	3.1
251.18011	2.4
253.15936	3.4
258.14081	3.6
259.14905	4.9
260.15488	3.8
261.16281	5.2
261.19067	2.9
263.18002	4.6
273.18747	3.4
277.15848	3.3
280.02365	2.1
285.16360	3.0
287.05472	15.2
287.20193	2.8
288.06119	2.4
295.20209	2.5
312.20859	8.3
349.34607	2.4
359.23987	2.4
373.25250	3.8
425.28284	3.0
545.37756	2.6
553.40240	4.5
563.38867	15.0
581.39893	100.0
582.39966	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	579.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.4
57.03404	0.3
57.74641	0.3
65.03921	1.0
67.05501	0.8
69.03408	1.4
69.25430	3.3
78.04723	1.7
79.05474	0.8
81.03403	0.6
82.04205	0.8
85.02911	2.5
91.05484	0.6
95.04944	1.3
97.02867	0.7
103.05452	1.1
106.04164	1.0
107.04936	1.3
109.02897	0.5
110.03665	0.7
115.05467	2.7
117.07020	6.2
123.04425	4.6
124.05206	1.6
127.05397	0.4
137.05946	0.6
142.02609	0.4
145.06480	9.4
146.52599	0.4
149.06018	0.5
151.03886	1.7
152.04655	1.6
155.06024	2.8
167.07037	100.0
168.07379	1.2
171.06519	0.9
173.05984	19.0
175.07552	0.5
181.04956	22.0
201.05400	0.6
205.08595	3.8
233.08090	5.4
235.09666	4.0
325.37311	0.4
331.98834	0.4
340.25641	0.4
387.14383	18.2
388.14630	0.8
417.15439	11.9
418.15613	0.6
431.31091	0.6
579.20728	48.1
580.21063	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	579.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.8
55.01863	3.6
65.03941	6.3
66.53828	1.5
67.00183	1.3
67.05512	2.5
68.77590	1.3
69.03439	1.8
69.73603	3.0
69.74014	6.0
75.04479	2.6
78.04702	4.5
79.05492	10.1
81.03416	4.1
81.07040	2.9
82.04217	1.8
83.04996	1.5
85.02901	5.1
88.81311	1.6
91.05477	15.8
93.03403	9.7
93.07067	4.7
94.33788	1.5
95.04977	9.1
97.06530	4.2
98.20856	2.9
103.05461	9.4
105.07053	8.6
106.04174	22.0
106.04873	2.2
107.04951	18.7
110.03666	3.4
111.04444	9.2
115.05468	4.1
117.07051	2.3
118.04162	1.8
119.04915	2.9
121.06496	23.7
123.04410	9.0
123.08107	1.5
124.05231	4.8
125.05988	11.9
129.07011	1.8
131.04962	8.9
133.06473	6.7
134.03627	4.9
135.04457	2.2
137.05984	9.3
138.06760	1.5
139.03873	2.1
144.05653	2.0
145.06499	8.2
147.04422	6.3
148.05128	2.2
149.05971	24.8
151.03896	1.8
151.07535	7.5
153.05473	23.3
153.09117	7.1
159.08180	2.4
160.05132	1.8
161.05981	10.6
162.06749	1.8
163.03934	2.2
163.07561	4.1
165.05452	4.3
167.07037	100.0
173.05997	3.4
174.06804	7.8
175.07521	7.4
177.05493	17.8
181.04945	8.4
181.06328	1.8
181.08565	14.8
187.07556	5.3
189.06972	2.4
190.07706	2.1
191.07036	11.8
191.08519	2.3
193.08640	4.4
195.06433	2.1
196.08806	1.7
199.07539	2.1
203.08594	2.6
205.06569	2.7
205.08502	3.3
207.06415	2.0
207.08121	2.5
209.08076	30.4
211.07500	2.0
216.07820	4.0
217.08571	4.0
218.07315	2.6
219.08049	6.5
220.08842	3.5
221.09586	1.7
229.08636	5.6
231.07973	1.9
233.09630	2.1
234.06776	2.5
235.07581	4.8
236.08348	4.9
237.09129	2.3
246.06731	2.3
247.07489	6.2
248.08290	3.6
249.09134	5.2
251.10704	6.1
252.82484	1.9
259.07544	2.1
261.09186	3.2
262.09509	1.6
263.06949	3.1
264.07855	7.0
265.08649	5.5
267.10147	3.1
271.06009	39.8
273.09128	1.8
275.07071	2.0
276.07779	3.7
277.08636	5.6
278.09412	3.2
279.10236	4.9
280.07507	1.5
281.11633	1.6
285.07532	13.1
286.04544	2.1
289.08673	2.5
291.10056	2.5
292.07559	1.9
293.08060	4.0
295.09634	6.2
307.09634	25.8
308.10440	4.5
309.11172	2.6
319.09634	4.7
321.11160	4.0
323.09183	1.7
325.10706	2.3
327.12280	14.1
337.10883	2.6
339.12231	28.5
340.12952	8.3
341.13818	2.1
345.13248	4.5
351.12329	10.5
352.13043	4.5
353.13736	4.6
363.12292	2.5
365.13776	2.0
369.13199	3.2
377.13666	1.8
399.10001	2.0
447.12799	3.4
467.14807	1.9
468.10999	1.5
499.17230	3.1
531.20026	3.3
543.20050	3.2
547.19458	8.6
561.20947	5.9
579.21460	14.1
579.34521	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	579.2066
Annotation	Podorhizol beta-D-glucoside
Peak:m/z	Relative Intensity
53.03930	0.6
55.01849	0.6
57.03418	0.5
61.02921	0.4
62.08341	0.2
64.04976	0.2
65.03908	0.9
67.05473	0.7
69.03429	1.7
69.54819	0.5
69.55225	1.4
73.02892	0.4
78.04319	0.3
78.04710	1.9
79.05488	1.7
81.03420	1.1
81.07026	0.3
82.04181	0.4
82.97971	0.2
85.02908	2.4
87.04398	0.3
91.05482	1.2
93.03374	0.4
93.07033	0.3
94.04153	0.3
95.04985	1.1
97.02869	0.9
97.06496	0.5
103.05474	1.7
105.03404	0.3
105.06999	0.4
106.04139	1.2
107.04959	2.9
108.02066	0.3
109.02878	0.6
109.06475	0.3
110.03606	0.7
111.04406	0.3
115.05452	3.1
117.07008	5.5
121.06491	0.4
123.04430	5.9
124.05199	1.9
125.05981	0.4
127.03914	0.3
127.05433	0.6
131.04912	0.7
133.06465	0.4
134.03566	0.3
135.04385	0.6
137.05965	0.6
138.03105	0.3
139.03859	0.6
142.02605	0.4
143.04895	0.4
144.05751	0.3
145.06479	8.9
147.04372	0.3
147.08072	0.5
149.05922	0.5
151.03905	1.6
152.04703	1.7
153.05455	0.5
155.04854	0.4
155.06029	3.1
161.05984	0.4
165.05431	1.1
167.07027	100.0
168.07404	1.1
168.20261	0.2
171.06465	0.8
172.05147	0.3
173.05978	18.7
175.07562	0.7
177.05505	0.4
181.04948	21.6
182.05304	0.4
191.06969	0.7
195.06516	0.3
201.05452	0.7
205.08618	4.2
207.10269	0.3
209.08058	0.8
221.08186	0.4
233.08058	5.0
235.07373	0.2
235.09624	3.9
319.11731	0.3
327.12433	0.3
339.08212	0.3
383.10034	0.3
387.14340	17.3
388.14783	0.6
417.15417	11.4
418.15799	0.3
579.20685	44.8
580.20844	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02739	0.2
53.03928	0.6
55.01850	0.8
55.49649	0.3
56.99482	0.3
59.78995	0.3
59.89360	0.3
61.02922	0.5
65.03909	1.1
65.66075	0.3
67.05483	0.8
69.03438	1.9
69.32204	0.3
69.99171	1.7
78.04698	1.7
79.05473	1.2
81.03394	1.1
84.47174	0.3
85.02906	2.3
90.54999	0.3
91.05456	1.3
95.04971	1.9
97.02870	0.6
97.06509	0.3
98.20879	0.4
103.05458	2.1
105.07001	0.6
106.04163	1.3
107.04964	2.1
109.02888	0.4
110.03664	0.6
115.05437	2.5
117.07008	6.0
119.04930	1.1
122.03655	0.4
123.04418	4.5
124.05193	2.1
125.05970	0.7
126.12775	0.3
127.05400	0.5
130.04082	0.4
131.04935	1.9
133.06447	1.0
137.05945	1.0
142.02577	0.4
143.04900	0.5
144.05641	0.4
145.06474	9.1
147.04378	1.3
147.08020	0.6
148.05144	0.5
149.05966	0.7
151.03862	1.2
151.07539	1.8
152.04686	1.4
153.01851	0.6
153.05460	0.5
155.06003	2.9
161.05949	1.3
162.06799	0.4
163.07503	0.6
165.05467	0.6
167.07022	100.0
168.07388	0.9
171.06471	1.0
171.07942	0.3
173.05968	20.5
174.06422	0.5
175.07538	1.1
177.05490	0.4
177.09079	0.6
178.89084	0.3
181.04936	24.5
187.07527	0.4
189.05466	0.3
190.06293	0.3
191.07024	3.9
193.08592	0.3
201.05400	0.8
203.07040	0.3
205.08604	4.5
207.10179	0.4
221.08156	0.3
225.89545	0.3
233.08064	5.7
235.07330	0.3
235.09613	4.6
237.09212	0.4
253.35696	0.3
262.26990	0.3
267.10187	0.4
269.11694	0.4
271.05991	13.7
272.06403	0.4
295.09531	0.4
297.11105	0.4
327.12170	0.4
339.12347	0.3
355.11670	0.5
385.12476	0.4
387.14349	17.5
388.14655	0.4
399.14493	0.5
417.11157	0.3
417.15411	11.9
547.19421	3.5
579.20691	42.7
580.20715	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.5
55.05466	0.5
57.03422	0.8
65.03934	1.0
65.20157	0.4
67.05499	0.8
67.11503	0.5
69.03425	2.3
69.87182	2.4
71.04982	0.5
76.10269	0.4
78.04699	1.7
79.05504	2.2
81.03406	1.4
81.07027	0.8
81.84438	0.4
85.02914	3.6
86.09713	0.6
91.05469	2.5
95.04966	1.8
95.08595	0.5
97.02882	1.3
97.06523	0.9
103.05496	2.7
105.04478	0.5
105.07035	1.1
106.04182	1.2
107.04952	2.7
109.02889	0.9
109.06553	0.5
110.03674	1.0
110.36662	0.5
111.04396	0.5
115.05447	4.0
117.07018	5.7
119.04938	1.6
121.06493	0.7
122.03635	0.8
123.04431	5.5
124.05219	2.2
125.05949	0.6
127.05405	0.7
128.71519	0.5
129.07007	0.7
131.04912	2.1
133.02937	0.6
133.06480	1.0
135.04410	0.6
137.05974	4.8
141.07219	0.4
141.14102	0.4
142.02573	0.7
145.06490	9.6
147.04391	2.0
147.08098	1.1
148.05141	0.7
149.05951	1.5
151.03894	2.1
151.07524	0.8
152.04643	1.6
153.01823	1.1
153.05421	0.5
155.06024	3.0
159.00916	0.5
161.06018	2.2
163.07526	1.0
165.05547	1.0
167.07040	100.0
168.07367	1.4
171.06500	0.9
173.05989	20.6
175.03851	0.6
175.07529	1.6
177.05472	1.8
181.04958	25.7
181.08604	0.8
187.07622	0.6
189.09029	0.6
191.07079	4.2
193.08624	0.6
201.05569	0.7
203.07123	0.8
205.08653	4.9
207.06476	1.0
209.08191	0.8
217.08691	0.5
219.10226	0.6
233.08083	6.4
235.07503	1.0
235.09587	4.7
237.09270	0.5
258.05255	1.6
261.09396	0.5
271.06018	25.2
277.08646	0.6
279.10092	0.5
286.04739	5.6
301.07062	16.8
302.07571	0.9
341.09702	0.8
355.11694	0.7
367.11838	0.5
369.13663	0.6
387.14392	17.2
417.15546	11.8
547.19580	3.8
574.82379	0.5
579.21045	55.1
580.21246	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	579.2059
Annotation	Podorhizol beta-D-glucoside
Peak:m/z	Relative Intensity
52.55603	0.4
53.03929	0.4
55.01856	0.4
65.03920	1.1
67.05487	0.5
69.03424	2.1
71.04971	0.4
71.51917	0.5
73.02891	0.5
75.61945	0.3
78.04687	1.6
79.05492	2.0
81.03403	1.4
82.04200	0.4
85.02893	3.0
91.05463	1.6
93.03394	0.4
95.04943	1.2
97.02868	1.0
103.05463	2.0
105.07020	0.9
106.04159	1.1
107.04964	2.0
109.02850	0.6
110.03637	0.7
115.05446	3.3
116.06210	0.4
117.07011	4.3
119.04904	0.5
119.08596	0.6
120.94307	0.3
123.04411	4.4
124.05223	1.7
127.05442	0.8
130.04132	0.6
131.04919	1.5
133.06464	1.3
137.04752	0.4
137.05939	1.2
142.02567	0.4
143.04919	0.4
144.05682	0.4
145.06483	9.0
147.04391	1.5
147.08022	0.9
149.05943	0.7
151.03900	1.5
151.07547	1.3
152.04689	1.4
153.01826	0.5
153.05435	1.0
155.06020	2.8
159.04565	0.4
161.05972	1.5
163.07503	1.1
165.05495	0.7
167.07031	100.0
168.07399	0.8
171.06529	1.1
173.05981	19.1
175.07516	0.9
177.05481	0.4
177.09055	0.5
181.04950	22.3
181.35973	0.3
182.05400	0.4
186.55669	0.4
187.07393	0.5
190.06262	0.6
190.78474	0.4
191.07039	3.8
201.05510	0.8
203.07083	0.6
205.08565	4.4
205.10336	0.4
209.07956	0.5
233.08086	5.8
235.07521	0.4
235.09630	4.9
237.09016	0.4
267.09949	0.4
271.06006	11.2
295.09464	0.4
297.11011	0.4
301.07315	0.5
311.09296	0.6
315.16248	0.4
346.41254	0.4
385.12842	0.4
387.09427	0.8
387.14401	16.1
399.14523	0.5
417.15457	12.7
417.21082	0.6
527.34625	0.4
547.19745	4.7
579.20709	45.0
580.21155	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.2
55.01863	15.9
67.05489	10.0
69.03414	14.2
69.07063	7.4
70.02942	8.4
71.04996	3.8
71.50317	7.0
72.04516	22.7
73.02905	13.5
77.23416	3.8
79.05503	4.4
81.03422	22.3
81.93010	4.1
83.04977	12.4
84.04499	7.4
84.08161	4.5
85.02911	30.0
85.06541	11.6
86.09696	5.8
87.08108	5.1
90.05554	50.1
91.03970	4.4
91.05438	7.4
95.04959	18.8
96.08121	4.9
97.02905	22.5
98.02410	19.2
98.97556	4.7
99.04416	5.2
100.03970	11.4
103.07585	7.2
107.04947	12.0
109.02865	32.3
109.06562	4.6
112.07607	4.4
112.99094	3.8
115.03939	5.3
116.03459	29.2
117.06931	4.0
119.04952	18.6
121.02853	6.3
124.03994	4.3
124.07579	32.9
127.03915	21.9
132.06577	12.1
133.28368	4.3
137.05984	53.1
138.05469	4.7
139.03915	4.5
142.08615	19.3
145.02873	5.0
145.04976	9.6
145.06505	4.7
147.04402	34.8
151.03883	13.0
160.09677	5.6
163.03889	41.4
164.04294	4.7
165.05554	5.4
166.08592	5.8
167.07092	4.6
174.11272	6.8
175.03986	3.7
179.07004	18.6
184.09685	45.7
197.08260	5.8
199.05994	9.7
202.10727	100.0
211.07678	4.7
211.09613	16.7
216.08542	5.5
220.11841	29.4
230.10185	16.4
234.09624	10.6
236.09178	8.9
262.12790	22.0
266.82654	5.0
310.12888	11.4
320.11243	4.4
328.13873	100.0
346.15005	20.2
352.90274	4.1
364.16037	51.7
366.11868	5.9
398.14447	9.5
416.15619	23.1
465.57529	3.9
578.20990	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	579.1707
Annotation	RHOIFOLIN
Peak:m/z	Relative Intensity
53.58708	0.1
58.97477	0.1
67.01850	0.4
68.99796	0.3
69.34072	1.3
70.71204	0.1
71.04979	0.5
78.37595	0.1
85.02901	0.8
91.05489	0.3
92.79634	0.1
96.32893	0.1
98.21542	0.3
119.04932	1.5
121.02895	0.6
129.05501	0.2
145.02835	0.7
153.01831	3.8
163.03908	0.4
167.07010	0.2
171.02859	0.5
174.97287	0.2
177.00462	0.1
184.71066	0.1
193.22823	0.1
216.54170	0.1
225.05380	0.2
229.05061	0.2
235.86717	0.1
243.06555	0.4
248.54674	0.1
271.06006	100.0
272.06345	0.8
289.76178	0.1
307.03629	0.1
308.40326	0.1
433.11032	0.2
586.37024	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.1
53.66822	0.1
57.03426	0.5
59.83187	0.1
62.93413	0.1
67.01834	0.2
68.99774	0.2
69.03391	0.1
71.04987	3.2
71.07561	0.2
83.04876	0.1
85.02898	3.9
91.05449	0.2
111.04444	0.1
115.05370	0.1
119.04253	0.1
119.04929	1.0
121.02858	0.4
129.05467	0.8
145.02783	0.4
147.06494	0.1
149.29289	0.1
153.01808	2.9
163.03888	0.4
164.83842	0.1
167.07005	0.6
171.02901	0.5
173.05891	0.1
181.04907	0.3
187.03867	0.1
203.07135	0.1
225.05406	0.2
229.04929	0.3
243.06494	0.3
271.05978	100.0
272.06299	1.8
381.09744	0.1
433.11282	12.9
434.11511	0.2
579.20544	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2677
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	1.8
52.91854	1.8
53.03934	2.0
55.01877	5.3
55.05511	13.4
57.03438	4.7
57.07073	2.8
58.84412	1.8
65.00853	2.0
67.05507	25.4
69.03425	3.9
69.07082	10.0
69.07388	1.7
71.05000	2.2
71.50916	2.5
73.02919	9.0
73.04752	1.6
79.05496	32.2
81.03423	9.1
81.07059	36.7
83.04998	3.3
83.08620	6.9
85.02905	5.6
86.09669	2.2
91.05476	33.9
93.07039	42.4
95.04971	5.7
95.08624	21.2
97.02881	3.5
97.06534	1.9
99.04448	3.2
105.06396	3.4
105.07031	33.4
107.08594	25.3
109.02872	13.6
109.06530	3.2
109.10184	7.2
110.03680	3.2
111.04448	5.7
117.07008	9.2
119.08596	38.3
121.10160	23.3
127.03948	5.4
129.07011	5.6
131.08556	18.8
133.10133	31.6
135.08069	2.3
135.11691	24.2
143.08537	5.0
145.10098	17.6
147.11670	30.4
149.13254	14.4
155.01006	2.0
157.10114	7.2
159.11700	16.1
161.13290	20.5
163.11157	3.4
163.14825	5.2
171.11656	11.8
173.13278	8.9
175.14857	7.0
177.12785	3.4
185.13293	8.6
187.14725	2.3
191.00113	6.9
199.14859	5.1
202.39301	1.8
213.16356	2.5
217.15831	2.6
222.37738	1.9
231.21129	4.2
241.19551	26.2
259.20581	70.0
277.21677	8.4
301.21835	2.2
333.24188	9.1
351.25296	100.0
375.25299	2.4
383.38577	1.8
559.25024	6.2
577.25800	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	577.1552
Annotation	Maysin
Peak:m/z	Relative Intensity
53.07817	0.2
53.83814	0.2
55.05482	0.2
61.49659	0.2
67.45132	0.2
68.99794	0.4
69.03417	0.3
70.06592	0.2
70.12889	0.8
71.04932	0.2
79.05486	0.4
80.66725	0.2
81.03408	0.4
81.07072	0.2
83.04945	0.2
85.02900	0.3
95.04977	0.2
97.06516	0.2
101.06068	0.3
107.04931	0.2
108.20753	0.2
109.02859	0.4
111.04423	0.6
117.03328	0.2
119.04881	0.3
127.03945	0.3
129.05501	0.5
131.71284	0.2
135.04420	1.4
137.02344	0.5
137.06033	0.5
145.06483	0.2
153.01825	5.8
161.02370	0.5
161.05925	0.5
167.07040	0.7
171.02876	0.8
179.03410	0.2
181.04916	0.3
191.52489	0.2
209.62396	0.2
213.05420	0.3
241.04866	0.4
257.04587	0.2
269.04434	0.6
271.06018	8.2
272.06299	0.2
287.05499	100.0
288.05762	1.8
297.03973	1.1
298.04697	0.8
298.75125	0.2
299.05438	0.5
310.04688	1.4
311.05508	4.6
323.05545	0.5
326.07968	0.3
339.08633	10.6
383.11191	1.2
397.08923	0.4
415.14011	6.3
552.62036	0.2
559.14294	0.3
577.14618	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	2.7
57.03427	2.2
61.02913	2.4
62.06075	1.5
67.05504	6.1
69.03421	11.5
69.07069	1.9
70.06583	2.4
71.04986	1.5
71.08633	11.8
72.08141	2.6
73.02887	1.7
81.03416	4.6
81.07043	3.8
83.04951	1.8
84.08140	2.6
85.02892	10.1
86.06068	23.1
87.04501	1.7
91.05485	7.3
93.07035	4.9
93.60258	1.1
95.04964	1.6
95.08612	12.6
96.08144	5.3
97.02870	6.4
97.06512	2.8
98.06039	2.4
98.09692	7.9
99.04454	3.1
99.08093	15.6
100.34555	1.0
105.07062	3.1
107.04946	1.5
107.08636	1.8
108.08135	3.6
109.02865	4.4
109.06538	2.3
109.10149	3.8
116.10725	66.8
117.06995	1.5
119.08572	12.8
122.09634	2.7
123.08087	1.5
124.07600	2.2
126.09049	1.4
127.03899	6.7
131.04880	1.1
137.05940	1.7
137.09595	9.8
140.10736	1.5
142.08633	4.2
143.10669	2.0
143.80846	1.2
145.04958	1.8
147.08031	3.2
151.97896	1.1
153.01842	1.2
154.15912	2.9
161.05856	1.4
165.09094	4.1
166.15939	3.0
167.07069	2.9
178.15868	1.2
183.10275	2.9
183.86139	1.2
196.16988	7.2
201.11215	5.1
214.18010	100.0
215.18378	1.3
216.04170	4.0
217.04428	2.6
217.08699	1.2
230.35139	1.2
238.18141	1.6
245.13777	2.8
254.21181	6.4
256.19116	4.4
261.13214	5.7
274.04437	1.7
280.19052	8.3
287.05603	8.4
288.05814	9.0
289.08301	1.3
298.20139	5.7
302.04214	1.8
303.04510	3.7
316.05350	2.8
316.21170	97.8
317.06439	3.1
317.21536	1.9
318.06931	1.8
332.88245	1.3
376.23206	16.8
396.27011	1.5
413.12375	17.4
414.12650	62.0
414.28369	20.0
415.12988	4.1
429.74780	1.2
478.26376	25.8
549.96588	1.4
576.33881	15.6
577.20050	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	575.3575
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	10.1
55.01869	28.7
55.05511	69.8
57.03429	17.0
57.07070	10.2
60.57781	3.9
65.03933	8.4
65.68948	4.7
67.05504	96.8
69.03411	16.0
69.07068	55.4
69.95209	24.8
71.04980	13.9
71.08631	4.3
79.05488	89.0
81.03416	46.6
81.07056	100.0
83.04967	31.0
83.08611	42.8
85.02893	15.2
91.05475	89.8
93.07033	81.9
95.04984	35.4
95.08602	46.5
97.02901	9.3
97.06515	26.9
97.10159	32.5
98.21426	6.1
105.07013	74.5
107.04951	26.7
107.08585	57.9
109.01118	5.0
109.06530	16.8
109.10159	30.9
111.08077	12.0
117.07012	32.4
119.08571	49.6
121.06512	14.6
121.10174	30.6
123.08060	11.2
123.11686	8.6
125.09649	23.1
129.06998	17.5
131.04868	5.0
131.08569	36.6
133.06508	11.2
133.10130	28.7
133.10963	4.7
135.08040	14.9
135.11679	20.7
137.09602	11.0
137.13153	5.4
143.08572	10.7
145.10123	45.2
146.02420	4.1
147.04384	10.2
147.08020	11.7
147.11694	33.3
149.02316	5.3
149.09575	21.9
149.13188	6.3
157.10161	14.9
159.11716	15.7
161.09621	10.4
161.13194	6.1
163.11162	29.2
171.11760	6.2
171.60812	4.9
172.83511	3.9
173.09621	10.4
173.13228	5.4
175.11099	10.2
183.11728	7.9
189.11217	15.2
191.07097	7.4
193.12218	27.7
195.11748	5.0
209.11642	10.4
211.13274	21.8
223.13174	8.2
227.12711	24.9
240.63976	4.5
247.13303	4.6
255.17517	5.0
257.19095	15.6
267.15915	22.4
273.18536	27.8
275.20041	57.9
283.15350	33.8
285.17010	5.4
291.19565	68.7
293.21069	7.2
313.21658	7.9
349.23730	22.7
365.23206	6.7
413.13190	5.2
477.28314	17.0
539.33307	11.0
557.34729	45.8
575.35846	83.0
575.50165	19.3
578.17310	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.6123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	44.6
57.07076	69.1
58.08315	4.1
59.73933	3.6
64.18166	4.0
66.61201	3.9
67.05507	56.4
69.07067	70.6
71.08631	50.4
79.05490	10.3
80.80490	3.8
81.07056	86.2
83.08625	56.6
85.10184	28.5
85.69146	3.6
87.04445	4.6
95.08611	100.0
97.10175	59.4
109.10172	55.4
111.11732	37.5
113.13223	5.1
120.84478	4.2
123.11686	27.7
125.13264	13.8
137.13257	11.2
139.14787	4.8
151.14815	7.9
165.16388	7.5
175.29736	4.0
229.64285	5.6
402.42307	4.4
557.47113	4.5
557.59753	12.7
575.50171	22.5
575.60870	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	576.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26392	3.9
53.03945	4.8
56.05034	7.3
60.04516	18.6
65.03928	5.8
67.05499	9.8
69.03420	14.1
69.69485	23.8
81.03437	5.6
83.04978	24.7
84.04507	23.8
85.02898	25.3
89.03881	4.9
93.03384	11.3
95.04938	9.4
97.02895	8.6
102.05512	4.2
103.05471	3.8
106.06591	4.1
107.04929	4.1
111.04451	33.0
117.03411	5.2
121.02848	7.7
123.04408	35.5
129.05508	19.5
133.02829	11.7
135.04402	14.4
139.02963	4.5
139.03879	28.1
145.02856	6.9
149.06015	6.2
151.03894	18.5
152.07124	4.0
157.05002	13.1
161.02321	4.6
161.05948	5.2
163.03900	100.0
165.07874	12.8
166.08571	7.0
173.76981	4.5
175.05978	8.5
176.07054	18.4
177.05516	10.8
178.04965	4.0
178.08716	7.0
179.03412	36.7
186.05510	6.5
187.03967	6.4
194.08099	7.7
197.31746	4.1
204.06569	33.2
205.04962	9.3
222.07585	23.7
223.06007	16.5
276.10837	9.7
311.88074	4.9
325.09140	5.1
353.08545	21.7
384.12628	5.1
396.13110	20.8
397.11172	17.6
414.13806	10.6
558.17999	6.6
576.18994	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	576.265
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28249	0.7
53.03954	1.2
55.01867	0.7
55.05497	1.0
57.31443	0.7
61.41927	0.8
65.03947	0.9
67.05502	8.3
69.03417	2.7
69.07063	1.3
70.55134	1.7
70.55519	1.5
71.04984	1.2
74.09698	0.7
79.05496	1.3
81.03421	6.8
81.07053	4.8
85.02905	1.1
91.05480	12.6
93.07069	1.7
94.04192	1.3
95.04964	2.2
95.08608	1.6
97.02899	2.5
97.06538	1.0
99.04406	0.9
107.04955	0.8
107.08585	1.0
109.02869	7.8
109.10151	21.0
119.04937	26.6
119.08578	1.8
122.03671	2.2
125.06015	1.3
127.03915	2.5
135.04416	0.8
135.08022	1.6
137.05977	100.0
137.09612	57.1
141.06140	0.7
147.04404	57.7
151.07544	2.7
155.10677	4.2
163.03911	1.6
163.07567	1.0
164.30774	0.7
165.09111	64.9
166.48701	0.8
171.84090	0.7
179.07036	55.4
183.10150	5.5
197.08112	11.9
201.11198	5.5
255.40627	0.9
291.12225	5.5
309.09830	1.6
309.13312	21.6
327.14371	3.8
430.34592	0.8
442.74786	0.9
525.76508	0.8
554.33612	0.7
555.12946	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02402	1.0
53.03955	2.8
55.01876	8.2
55.05508	7.6
57.03444	5.7
57.07063	1.3
61.02898	1.2
65.03929	1.2
67.05506	13.6
69.03433	12.5
69.07077	6.9
70.29002	2.0
70.29408	1.6
71.04990	3.4
71.28594	1.0
73.02916	9.5
79.05496	12.3
81.03416	11.3
81.07056	16.2
83.04976	6.4
83.08627	2.7
84.49747	0.7
85.02922	7.3
91.05483	15.4
93.07040	16.6
95.04960	5.5
95.08614	10.0
97.02880	4.0
97.06534	3.3
98.21500	1.0
99.04461	5.3
103.05447	0.9
105.06332	0.9
105.07027	16.4
105.07709	1.4
107.04963	5.0
107.08585	10.6
109.02887	15.5
109.06521	6.6
109.10188	4.6
110.03683	2.1
111.04444	12.2
111.08041	1.3
115.05452	1.6
115.46686	0.8
117.07018	6.2
119.08580	10.6
121.06524	8.0
121.10160	5.2
123.08060	3.1
123.11715	1.8
127.03899	8.7
129.07013	2.3
131.08557	11.1
132.99559	5.3
133.06502	2.7
133.10135	11.2
135.08064	4.0
135.11702	2.8
137.05977	1.2
137.09697	1.1
139.03888	1.1
143.08575	3.4
145.06494	2.8
145.10110	8.6
147.08049	3.4
147.11707	6.9
149.09637	3.2
149.13181	1.7
151.00577	0.9
151.11197	2.0
155.08551	2.0
157.10109	2.1
159.08066	2.4
159.11729	5.2
161.09653	3.2
161.13284	2.4
163.03891	0.9
163.11177	4.3
169.10100	1.4
171.11707	3.0
173.05997	1.3
173.09648	1.4
173.13254	3.7
175.11130	2.2
177.12727	1.3
183.11676	2.1
185.13313	1.1
187.11198	1.6
191.00081	5.9
191.07066	1.4
191.14177	2.0
201.12775	1.1
207.13940	1.3
209.01167	1.0
213.16359	0.9
215.14226	1.3
215.17995	1.3
219.13855	3.2
229.19482	1.7
239.17976	3.0
247.20595	2.4
255.22891	0.9
257.19086	11.0
257.21680	1.4
265.03940	1.3
275.20065	100.0
276.20584	1.3
293.21097	21.5
349.23730	32.2
367.24628	1.3
377.23334	1.0
391.24799	2.7
400.64886	0.8
413.13043	0.9
459.27148	2.1
491.95526	1.0
539.22699	1.7
561.83875	0.9
575.25140	8.3
575.33478	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.8
55.01868	3.8
57.03431	5.3
61.02920	8.8
67.05502	5.9
69.03432	21.4
69.79318	7.9
71.04980	3.4
73.02911	3.1
73.07774	1.4
74.02459	1.6
79.05489	6.8
81.03420	12.2
81.07043	2.4
85.02908	42.8
87.04474	4.5
91.03966	1.6
91.05492	3.4
95.04964	12.3
97.02897	17.2
103.03947	1.8
103.05442	3.0
106.06512	2.6
107.04974	7.8
109.02880	7.4
109.06512	1.9
115.05434	1.9
117.06999	3.5
118.06531	12.5
123.04443	7.7
127.03934	7.9
129.07010	3.2
130.06531	42.7
131.04913	3.3
132.08119	7.2
133.02849	3.5
135.04462	2.4
137.06010	2.6
139.03912	10.2
142.06541	2.5
143.07306	6.7
144.08083	69.6
145.04984	4.6
146.05995	43.3
146.07114	2.8
147.04434	2.0
148.07600	1.7
148.37865	1.6
149.02182	1.7
151.03896	4.8
154.06531	14.7
155.07265	3.8
156.08075	16.4
158.06033	3.3
158.09650	25.9
159.04401	4.0
160.07581	2.0
165.05484	70.3
167.07236	16.8
167.78526	1.7
168.08095	50.6
169.07584	25.9
169.08714	2.0
170.05966	9.0
170.09628	3.4
173.06088	1.6
177.05435	3.5
180.08109	18.1
180.52162	1.5
181.08794	3.4
182.06039	3.1
182.09663	19.0
183.06735	2.1
184.07614	3.6
188.07063	95.8
189.07341	2.2
191.07115	6.2
192.08113	8.2
193.08887	4.5
194.06096	2.5
194.09697	9.0
195.06699	2.3
195.30295	1.8
196.07648	6.1
200.07066	14.0
202.08588	2.3
204.08098	6.4
205.08762	3.9
206.09644	3.9
207.06717	1.9
208.07597	8.8
208.09511	3.1
209.08234	4.3
210.09137	18.2
213.07976	2.9
214.08626	10.9
215.08147	11.8
217.09650	6.8
218.09691	4.8
219.10558	2.6
220.07571	11.9
220.11214	7.1
221.08412	6.1
222.09135	6.8
224.07085	4.8
224.10471	1.8
226.08659	3.3
226.10646	2.9
230.09627	7.1
231.11360	12.1
232.07420	2.1
232.11224	2.1
233.08406	2.6
234.12706	4.5
236.07109	5.2
238.08624	33.3
238.12341	3.1
240.10219	3.6
244.11090	9.2
246.09215	2.5
247.09869	2.1
247.12282	1.7
248.07050	16.6
248.10744	2.9
249.07898	4.4
250.08813	8.9
252.10277	4.5
254.09618	4.8
258.09116	4.8
262.12299	6.7
265.09628	14.5
266.08102	6.7
270.11224	4.1
272.10742	14.8
274.12369	2.0
276.10217	4.4
280.13290	3.8
282.09323	2.0
286.08597	3.0
290.11749	9.2
293.09549	2.6
293.12848	9.5
294.07715	3.7
295.08463	6.1
300.10104	5.7
306.11258	2.0
308.12820	10.2
311.10294	24.7
311.13678	3.7
312.10855	1.9
317.13022	2.0
318.11234	7.6
322.14395	14.5
325.11652	3.3
326.10254	4.0
328.09305	2.6
335.13931	16.3
340.15445	22.6
343.12881	43.1
346.10773	4.3
363.13376	13.0
364.11871	6.9
378.13315	19.8
381.14459	28.2
395.16037	44.7
396.14401	64.8
397.14944	3.2
413.17084	100.0
414.17267	5.0
541.65100	1.7
557.21289	2.5
558.19696	36.4
559.19769	2.3
575.22345	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	575.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	5.7
55.01854	4.9
57.03427	3.8
57.42147	1.6
61.02936	8.7
64.69615	1.2
67.05484	5.1
69.03429	24.5
69.43810	13.9
69.44157	2.1
71.01323	2.1
71.04999	2.8
73.02905	3.9
79.05477	5.9
81.03426	9.9
82.74915	1.4
83.01330	1.9
85.02904	45.3
87.04447	4.1
91.03964	2.1
91.05459	5.2
95.04948	15.2
97.02886	19.7
98.20730	2.4
103.05462	3.1
105.03396	2.4
105.06964	2.6
106.06544	2.0
107.04954	4.5
109.02866	6.7
109.06502	4.7
115.05399	1.8
117.05756	2.7
117.07006	2.0
118.06543	15.8
121.02850	1.8
121.06441	3.7
123.04405	7.3
124.03932	1.7
127.03894	7.3
129.07004	2.7
130.06534	42.2
132.08073	5.7
133.02823	3.4
135.04422	3.6
137.05977	2.9
139.03915	9.8
142.06476	2.8
143.07260	5.5
144.08081	73.7
145.04939	3.3
146.06017	46.2
149.02405	1.6
149.05981	1.9
151.03891	6.4
154.06497	12.0
155.07265	5.9
156.08054	16.2
158.06064	2.7
158.09669	23.1
159.04373	5.1
159.09219	2.2
160.07578	2.5
165.05486	57.0
165.06850	2.6
167.07315	15.3
168.08098	48.9
169.07591	26.7
169.08838	3.6
170.06013	9.1
170.09682	4.8
171.09106	1.9
176.07085	1.6
177.05580	2.4
180.08073	19.5
181.08817	5.0
182.06108	2.2
182.08244	2.3
182.09673	21.5
183.06631	4.2
183.09146	2.3
184.07558	2.2
188.07072	79.1
189.07323	2.1
191.07173	5.9
192.08040	12.2
193.08739	3.8
194.05882	3.3
194.09659	9.9
195.09079	1.8
196.07564	3.6
200.07040	13.8
202.08594	2.1
204.08052	8.2
205.08882	5.6
206.09700	3.8
208.07579	8.6
208.09377	2.1
209.08168	3.5
210.09178	16.9
213.07849	1.8
214.08693	9.7
215.08148	13.7
217.09430	4.5
218.09688	4.3
219.10609	2.2
220.07614	14.8
220.11124	10.7
221.08339	6.1
222.09123	7.2
224.07054	5.0
225.07736	1.8
226.08522	2.0
226.10657	3.1
230.09639	4.5
231.11372	13.0
232.07471	3.3
232.11208	3.6
234.12790	3.6
235.06378	1.9
236.06998	3.4
238.08612	27.4
239.11777	1.8
240.10168	2.9
243.10461	2.2
244.11234	8.5
246.09087	2.2
248.07112	13.5
249.07825	3.7
250.08821	9.6
252.10172	2.7
254.09554	5.0
256.11325	2.0
257.08224	2.3
258.09113	4.0
262.08484	2.1
262.12247	7.2
263.08115	2.7
265.09668	15.6
266.08130	6.8
267.08771	1.8
270.11182	5.9
272.10693	15.3
276.10129	4.7
282.09296	2.1
282.42999	1.7
288.10226	2.6
290.11694	9.9
293.09518	3.1
293.12836	12.0
294.07590	5.1
295.08310	6.1
300.10132	5.9
308.12756	7.8
311.10278	23.0
311.13687	3.2
318.11194	5.8
322.14352	15.6
325.11740	4.4
326.10236	5.8
327.13663	2.3
335.13895	21.4
338.13940	2.7
340.15384	21.4
343.12878	34.9
346.10562	4.3
350.14145	2.1
363.13309	10.5
364.11801	5.5
378.13312	13.5
381.14450	27.7
395.16071	40.3
396.14377	57.1
398.35950	2.0
413.17062	100.0
414.17590	4.1
543.20026	1.8
556.73840	1.9
558.19794	27.5
575.22333	40.0
576.22363	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.265
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77568	6.5
66.03928	7.6
67.05473	9.9
69.23533	14.9
69.23930	71.3
70.06580	8.9
81.07056	9.9
84.08105	8.3
85.02882	7.8
91.05456	21.9
95.04945	10.8
98.21482	11.3
105.07023	8.4
107.04926	15.0
111.58940	6.8
119.04949	15.7
121.06452	10.4
129.06958	10.0
131.08635	10.0
132.76393	6.6
137.05974	84.5
147.04417	16.0
151.07561	34.9
153.01837	10.6
161.05992	100.0
161.09630	23.9
163.07468	7.8
165.09099	7.7
175.07500	22.2
189.09026	48.5
193.06329	7.3
195.08141	7.4
195.10172	10.7
205.06287	7.2
207.10167	71.5
217.08600	7.1
219.08156	10.1
219.10164	27.1
223.07545	12.1
247.07600	8.3
249.96869	6.1
253.08669	14.1
255.06638	6.8
255.10117	7.9
265.08591	14.0
273.92105	6.8
283.09711	8.5
285.11230	10.0
287.05630	11.2
287.12735	8.2
297.11212	37.2
313.14401	9.6
329.13727	44.3
331.15268	19.0
355.15237	18.1
367.15326	14.5
369.09607	15.4
402.62064	7.6
413.12323	48.3
479.20309	10.2
509.21304	7.8
512.20721	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	574.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
62.23220	2.2
67.98922	2.6
69.50388	1.8
69.50732	16.9
70.06606	3.2
79.05489	5.5
81.03468	1.9
81.07038	3.8
84.43517	2.4
91.05454	13.9
91.33054	2.1
91.77827	2.2
93.07041	2.7
95.04973	3.1
97.36316	2.3
103.05464	7.8
105.07024	4.2
107.04966	14.6
112.88476	2.1
115.05453	4.1
117.06974	3.5
119.04959	13.1
121.06469	7.0
122.03631	4.0
125.11112	2.3
129.06950	5.6
131.04901	7.1
131.08539	2.7
135.08063	3.8
136.05176	2.3
137.05977	71.9
145.06516	3.6
146.07246	5.5
147.04350	6.6
148.05209	2.7
149.05960	5.5
151.03897	4.2
151.07556	30.9
153.01805	4.4
157.06473	6.6
160.11194	2.3
161.05984	100.0
161.09612	27.2
162.06670	3.6
163.07541	12.6
165.06889	2.7
167.07036	2.8
171.70554	2.5
174.06726	8.5
175.07529	19.9
177.09091	5.2
178.07729	2.4
189.09084	47.6
191.08521	4.2
194.07115	2.5
195.08037	7.4
195.10155	11.0
201.09087	2.6
205.06383	4.0
207.10150	85.3
210.06682	3.7
211.07628	5.5
211.14902	2.5
219.08095	6.8
219.10164	19.4
221.06084	3.9
222.06781	3.4
223.07617	5.4
225.09093	5.7
227.10625	6.6
235.07445	3.5
237.09206	4.7
239.06989	3.0
240.07811	3.5
241.08597	2.9
247.07626	4.3
248.08148	2.9
249.08977	5.4
251.06816	3.0
251.10719	3.8
253.08618	13.6
253.12257	4.5
255.06503	5.5
255.10118	4.4
264.07843	4.0
265.08566	13.5
267.10144	3.9
270.08914	2.4
277.08575	6.0
279.10187	7.2
281.08093	4.2
283.09579	4.7
285.11185	10.2
287.05627	3.1
287.12634	6.1
289.08548	3.4
295.09610	4.6
297.11209	22.7
298.11899	3.2
299.12640	2.8
309.11108	6.6
310.11893	5.4
311.12656	9.5
312.06293	4.9
313.14270	6.2
327.12195	4.3
329.13800	16.9
331.15408	17.1
341.06622	6.4
355.15402	9.8
367.15503	2.8
369.09644	9.7
413.12341	32.2
479.20490	16.0
491.20612	4.9
509.21829	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	573.4877
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05672	2.0
53.03952	2.4
54.42779	2.1
55.05505	15.9
57.07074	45.0
57.09315	2.2
62.54940	2.1
67.05505	34.2
69.07063	16.9
71.08629	32.2
71.50160	3.2
73.75967	2.1
79.05493	27.3
81.06596	4.0
81.07053	50.8
83.08604	18.7
85.10191	11.5
91.05473	19.4
93.07040	35.7
95.04962	4.0
95.08605	44.2
97.10155	8.0
104.85887	2.2
105.07019	12.7
107.08604	19.9
109.10177	19.2
109.62956	2.2
111.11714	2.4
117.07016	4.9
119.08578	9.3
121.10126	17.3
123.11732	5.7
131.08583	8.7
133.10100	7.9
135.11720	16.4
137.13263	4.2
145.10133	5.9
147.11691	7.4
149.13271	7.5
151.14827	2.5
159.11761	5.4
161.13295	5.5
163.14935	2.9
173.13345	6.1
175.14833	2.6
185.13101	2.7
187.14766	2.6
239.23743	7.1
240.76996	2.9
243.21045	4.7
261.22079	20.0
313.27466	11.9
317.24771	15.1
466.36472	2.3
573.48645	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3784
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07032	1.4
53.03933	3.4
55.01873	10.8
55.04383	1.5
55.05511	32.8
57.03424	3.6
57.07061	5.3
61.82116	1.5
65.03947	2.7
67.05503	42.4
69.03423	6.0
69.07066	20.2
69.86965	10.2
71.04980	4.6
71.08625	4.1
79.05490	41.5
81.03407	7.3
81.07058	73.3
83.04987	14.8
83.08617	21.4
85.02882	2.0
85.06542	2.5
85.10152	2.5
91.05475	35.0
93.06496	2.3
93.07042	35.2
95.04971	19.3
95.08612	23.7
97.02938	1.7
97.06517	6.2
97.10159	32.2
99.08118	2.3
105.07037	24.9
107.04932	9.0
107.08589	25.7
109.06520	12.4
109.10166	14.8
111.04445	11.2
111.08063	8.5
111.19977	1.7
115.05383	2.6
117.07007	17.7
119.08576	28.6
121.06490	10.6
121.10135	16.3
123.04414	2.3
123.08065	19.0
123.11673	1.9
125.09620	21.2
129.06981	8.3
130.07800	2.2
131.08565	27.0
133.06511	2.6
133.10121	17.5
135.08102	9.7
135.11688	9.7
137.09598	6.6
137.98773	1.6
139.11169	2.3
143.08566	7.6
145.06447	4.8
145.10127	30.7
145.41209	1.7
147.08052	13.8
147.11684	5.3
149.09616	14.2
149.13307	2.1
151.11148	4.5
153.09091	7.0
153.12714	4.8
155.08554	2.4
157.10101	7.5
159.08093	2.1
159.11658	9.0
161.09604	10.0
161.13281	2.8
163.11192	23.3
165.09122	8.1
169.10120	2.8
171.10175	2.8
171.11670	5.0
173.09624	7.6
173.13176	2.2
175.11151	5.7
177.12723	2.4
179.10631	4.9
181.12192	8.5
185.13268	4.3
187.11237	3.9
187.14821	3.3
189.11218	19.5
189.12727	2.8
191.10704	8.1
201.16408	5.1
209.11659	2.0
211.14842	1.9
219.17465	6.1
223.13269	7.1
227.12781	6.9
229.15868	14.5
245.18883	2.2
247.16953	16.8
249.14844	3.4
249.18826	2.1
255.17387	3.7
265.17996	35.6
273.18451	33.0
286.12949	1.7
291.19531	100.0
309.20648	4.9
313.27399	4.4
325.38058	2.1
381.24313	2.3
399.25259	3.0
417.26080	3.9
423.51993	1.9
537.35651	7.1
555.36780	8.5
573.37610	7.7
573.48694	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	573.3416
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.6
55.01873	12.9
55.05506	35.8
57.03420	5.4
57.07059	7.6
59.04995	3.3
65.03935	2.7
67.05500	46.0
69.03421	11.2
69.07066	31.3
71.04984	4.2
71.08633	3.7
71.52200	2.8
79.05486	48.1
81.03406	16.6
81.06597	2.7
81.07050	38.5
83.01319	6.0
83.04993	11.3
83.08627	16.2
85.02909	3.2
85.10167	3.4
91.05476	32.7
93.07034	40.2
95.04954	15.7
95.08601	26.4
95.34306	1.7
97.02894	9.4
97.06521	8.2
97.10160	11.8
98.98476	2.9
105.03402	2.3
105.07021	21.5
107.04930	12.3
107.08579	23.8
109.02915	2.1
109.06512	5.9
109.10181	11.3
111.08070	3.9
115.05417	2.4
117.07008	16.2
119.08591	19.5
121.06508	5.2
121.10139	11.1
121.78757	1.6
123.08038	8.4
123.11755	1.7
125.05956	1.9
125.09592	8.6
129.06999	7.3
131.08533	12.5
133.06470	3.8
133.10121	10.6
135.08029	4.6
135.11674	10.7
137.09598	3.5
143.08524	3.4
145.10121	16.7
147.08047	7.6
147.11670	5.5
149.13322	2.1
153.12750	3.5
157.10112	3.8
159.08064	2.4
159.11697	5.5
161.09634	2.4
163.11151	14.9
163.37329	2.1
165.09157	2.2
171.10268	1.5
171.11705	4.3
172.19818	1.5
173.09592	4.8
181.12233	4.6
184.07306	2.3
189.11185	4.6
189.12834	1.8
191.10829	1.9
205.12335	1.8
209.11684	5.4
223.13277	19.3
227.12775	3.1
227.18025	2.1
237.16469	2.2
270.61295	1.8
273.18460	16.1
283.15384	3.0
291.19519	100.0
292.19803	3.2
311.19815	2.0
313.27493	2.9
347.22101	2.0
365.23065	1.9
366.83606	1.8
456.58997	1.7
555.33398	2.4
573.34180	69.3
573.47400	9.3
574.34479	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	572.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.4
53.27346	1.3
57.03408	2.0
61.02908	4.1
63.09401	1.5
67.05498	7.5
69.03426	10.8
69.44592	1.4
70.06584	4.6
70.30981	5.0
72.08150	2.2
73.02905	3.7
79.05485	10.3
79.72066	1.4
81.03401	5.6
81.07071	3.1
83.01325	1.4
85.02908	20.0
86.09731	2.1
87.04433	2.1
88.44521	1.5
91.03952	1.8
91.05462	5.2
93.07028	2.3
95.04971	14.7
96.08127	2.9
97.02887	9.1
100.08589	1.4
105.06984	1.8
107.04963	16.5
108.08124	7.9
109.02852	2.7
109.06532	2.5
110.09641	3.4
119.04942	1.8
122.09648	6.6
123.04424	6.5
127.03917	5.0
129.06975	1.5
133.02794	2.5
135.04395	12.2
135.08086	11.4
136.07559	10.4
137.06003	7.2
138.05472	1.9
138.09142	2.0
139.03876	1.6
140.07147	2.3
145.04977	3.4
146.09639	2.7
148.07535	2.9
149.05925	2.3
150.09113	8.8
151.03857	6.5
152.07042	5.8
153.05429	1.8
159.08017	1.7
161.05904	2.6
162.09119	4.9
162.10355	1.6
163.07532	13.1
164.07079	4.0
164.10704	5.0
165.05486	57.1
166.08667	8.0
167.07053	11.4
170.11739	4.3
174.09152	2.6
178.08659	2.5
180.10149	2.0
184.72270	1.7
190.08580	4.2
192.10162	6.8
196.09682	4.7
200.10739	1.7
202.08551	1.9
203.07011	3.2
204.10242	2.2
210.11224	23.8
212.09070	4.2
214.08521	1.8
214.10545	1.7
218.11728	2.4
226.10719	3.1
228.12328	13.5
230.08177	3.0
233.11699	5.7
236.12816	2.1
246.11203	1.5
262.10715	2.8
262.14185	1.8
264.12326	15.2
266.78571	1.5
280.15512	2.0
290.10165	5.1
292.11743	1.8
308.11270	12.0
308.14673	2.7
316.15289	2.0
318.13361	1.8
332.14835	2.9
334.16495	18.9
340.13654	2.1
360.14594	7.8
364.17493	4.4
366.19171	1.8
374.15942	1.7
378.15500	19.8
390.17596	2.2
392.17017	26.0
410.18073	100.0
572.23621	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	571.4356
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.4
55.01850	8.3
55.05516	65.1
57.03408	6.4
57.07071	35.4
67.05505	84.7
69.07062	38.9
69.32201	30.9
69.32628	21.9
71.04973	6.7
71.08622	4.9
75.72800	4.7
79.05490	65.4
81.03419	11.6
81.07053	95.7
83.04972	15.5
83.08617	44.4
85.06550	8.6
85.10181	57.9
88.41286	4.6
91.05476	73.4
93.07040	82.3
95.04953	25.5
95.08609	77.2
97.06508	6.7
97.10159	19.9
98.20721	8.2
105.07021	85.4
107.04958	26.6
107.08591	50.7
108.94336	4.6
109.06563	5.4
109.10143	33.0
111.08081	8.6
113.09628	57.5
117.07028	24.2
119.08576	72.7
121.10120	33.3
123.08048	7.3
123.11714	11.7
125.09622	8.5
129.06989	15.9
131.08546	42.7
133.10139	59.2
135.11700	28.7
137.09605	5.0
141.07016	8.7
143.08542	19.2
145.10101	46.4
147.07957	6.9
147.11665	55.2
149.09650	23.8
149.13225	13.2
151.11159	5.9
155.08574	7.9
157.10120	17.3
159.11662	24.2
161.09660	6.4
161.13213	26.0
163.11177	20.7
163.14812	5.5
165.12749	66.6
169.10202	9.3
171.11703	19.4
173.13235	17.6
175.11295	12.1
175.14865	9.8
181.10098	4.7
183.11743	12.1
185.13248	10.2
187.14778	8.8
197.13187	12.4
199.14851	7.0
215.17874	5.0
221.15436	5.6
239.17963	8.1
241.19543	6.7
247.17000	5.3
257.19003	8.8
259.20547	17.6
275.20081	100.0
276.20731	10.9
277.21655	84.7
279.23318	5.4
293.21124	8.3
295.22693	60.7
301.21475	7.6
319.81000	5.5
357.92743	4.8
359.76254	5.7
425.34235	7.1
441.33685	6.6
443.35178	14.9
445.33020	6.9
535.41663	11.5
551.88293	4.9
553.42542	29.8
571.43359	33.3
590.94403	6.6
597.63635	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	572.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.4
54.84995	0.9
55.01861	2.1
56.05036	30.2
57.03423	1.1
61.02919	2.0
66.04732	0.8
66.20543	0.8
67.05517	1.5
68.05000	1.0
68.67177	0.8
69.03426	8.1
70.06579	1.0
71.51122	1.7
72.72182	0.7
77.03916	1.1
79.05495	7.9
81.03429	4.6
85.02902	12.6
86.06070	4.8
91.05481	8.8
93.03385	1.2
93.07044	1.1
95.04958	13.4
97.02877	7.2
97.07142	1.2
102.05540	73.9
103.05451	2.6
105.03387	10.9
105.04437	1.0
105.07034	12.3
107.04957	6.7
107.08616	1.0
109.02865	2.9
109.06494	1.6
114.05523	14.3
115.05458	4.7
117.07018	3.5
119.04912	2.4
119.08580	2.5
121.06496	1.4
123.04415	5.4
125.02322	1.1
127.03895	3.2
128.06236	6.0
129.06998	14.4
131.04945	2.8
131.08575	6.1
133.02846	31.3
133.03841	2.0
133.06494	5.8
134.03616	1.3
135.04407	15.1
135.08031	2.1
137.02324	2.3
137.05943	2.0
138.52985	1.0
139.03888	2.8
141.07027	5.3
141.07953	1.1
143.04942	1.6
144.05704	1.5
145.06496	2.2
147.04492	1.2
147.08046	6.6
149.05927	1.2
151.03900	20.3
151.05132	1.0
153.05501	1.4
157.06465	11.3
159.04411	1.0
159.08014	4.3
159.55254	0.8
161.00977	1.4
161.02333	21.7
161.05977	9.3
162.03104	2.1
162.05438	2.1
163.03899	6.4
165.05469	40.3
167.07022	1.4
168.17140	0.9
169.06482	1.6
175.07504	7.4
177.05486	2.0
179.03407	11.0
179.06985	1.1
182.08247	1.2
183.06529	1.6
185.05991	14.6
186.06844	0.9
187.07552	5.2
189.05446	1.2
192.98688	0.9
195.06433	1.5
201.05467	1.1
203.07024	10.8
205.08572	1.2
207.02870	8.9
207.06573	1.5
208.03563	1.7
213.05463	7.1
215.07028	1.6
217.08591	2.3
221.04550	1.4
225.03954	3.4
228.08768	2.0
231.06502	7.3
239.05524	3.3
241.04884	1.7
245.08037	1.7
249.07610	2.7
255.70142	0.8
259.05942	5.0
263.09024	1.3
264.08661	1.0
277.07098	9.5
291.08722	4.3
309.09668	28.7
324.19614	0.9
340.10226	2.5
341.11224	1.6
364.13824	1.7
366.15298	1.3
378.11829	14.0
392.13275	2.4
410.14447	100.0
411.14563	0.9
471.14832	0.9
487.71881	1.1
572.19666	23.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.3628
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	9.7
55.01859	21.3
55.05508	46.3
55.64874	6.0
57.03437	5.3
57.07064	14.3
60.04260	7.3
67.05505	84.5
67.60915	5.0
68.05843	4.7
69.07069	65.4
71.04992	10.8
71.08614	9.8
71.42441	6.7
71.42783	7.0
79.05488	73.6
81.03407	17.1
81.06597	7.8
81.07050	95.6
83.04969	19.7
83.08609	23.0
83.70818	4.8
85.02947	5.5
89.06004	11.1
91.05480	91.1
93.07037	100.0
95.04980	29.4
95.08598	59.1
97.02873	6.1
97.06525	20.5
97.10170	20.2
104.41762	4.6
105.07034	70.5
107.04959	28.7
107.08585	63.0
109.02908	9.3
109.06525	30.6
109.10156	24.3
111.04436	8.5
111.08073	8.3
117.07005	46.4
119.08574	56.4
121.06505	27.1
121.10158	30.3
123.04462	4.7
123.08064	17.1
125.09635	14.1
128.06206	4.9
129.07002	22.6
130.07809	8.1
131.08560	75.9
133.10129	43.2
135.04457	6.0
135.08066	33.5
135.11682	17.7
137.09583	9.7
139.90128	5.9
143.08525	28.9
145.06496	13.0
145.10110	66.3
147.08022	12.7
147.11693	14.3
149.09598	38.5
151.11156	11.5
153.09151	6.7
155.08519	15.2
157.10136	14.6
159.08067	12.1
159.11635	20.7
161.09653	19.9
161.13235	10.9
163.07533	19.0
163.11143	44.8
165.09048	6.3
169.10175	13.0
171.11674	6.4
173.09641	16.5
173.13309	12.6
175.11217	8.1
177.12737	8.3
177.16388	7.7
179.10626	26.5
183.11739	7.8
185.13214	11.8
187.11139	11.3
187.14758	18.6
189.09164	6.9
189.11197	6.5
191.10655	14.3
193.12250	34.7
201.16359	24.0
211.14815	12.2
219.17476	20.3
229.15858	57.9
243.17506	11.4
245.15385	7.4
247.16959	50.3
253.15849	6.5
261.18469	6.5
265.18036	47.0
271.17010	13.4
289.17957	82.5
307.19040	16.7
404.54572	5.1
415.31064	5.4
455.28134	5.7
517.33014	10.5
535.34357	26.1
553.35229	83.3
571.36389	21.2
571.47571	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	571.202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.6
53.04176	1.1
55.01876	1.6
55.05504	1.2
61.16956	1.2
65.18015	1.1
65.94567	1.1
67.05499	3.2
69.03419	3.9
70.53468	3.1
70.92737	1.0
71.04994	5.9
72.08146	1.9
79.05511	7.3
81.03434	2.2
81.07063	4.4
83.04957	1.4
83.71047	1.0
85.02898	4.5
91.05473	3.7
93.07053	5.9
95.04964	58.0
95.08607	3.8
97.02894	12.7
99.04448	2.8
102.88641	1.0
103.05464	4.1
105.04522	2.1
105.07032	5.0
107.04948	28.7
109.02885	13.5
109.06525	5.0
111.08073	19.5
118.82809	1.0
121.06500	8.2
123.04424	12.0
123.08064	3.2
125.02344	16.9
125.05991	4.1
127.03910	77.9
131.04875	2.7
133.06483	4.1
135.04442	1.5
137.05968	2.3
149.05975	10.3
151.03900	57.3
151.07474	5.9
153.05461	6.2
161.05963	1.8
169.04942	1.2
177.05461	13.1
179.07010	17.1
195.06528	24.7
197.08086	100.0
213.07587	3.8
215.09206	1.8
260.25623	1.1
572.74847	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55670	0.8
56.96544	1.0
58.99858	1.1
66.48508	0.8
69.03411	0.9
70.87237	0.9
71.50645	1.5
82.99854	1.6
85.02887	1.2
97.02914	2.4
101.00869	7.0
109.02850	1.0
113.00833	1.3
115.02402	1.5
119.01922	24.9
126.17558	1.0
127.02394	1.1
131.01912	7.3
133.03487	5.5
137.02992	3.6
139.02388	1.2
143.00862	1.8
143.01900	21.5
145.03473	12.7
147.01430	2.6
149.03001	1.8
155.01866	13.7
156.03625	1.7
157.03474	7.3
161.02954	31.9
163.04445	2.3
166.33572	0.9
167.01900	7.4
168.04968	1.0
168.99832	1.5
169.03467	3.8
171.01433	1.1
171.05077	2.0
173.01509	1.0
173.02956	27.9
175.04559	3.1
179.01964	3.5
184.04550	1.9
185.02945	40.6
186.03194	1.0
187.00890	3.3
187.04524	7.3
189.02431	1.4
191.04013	2.9
197.02937	15.1
199.00876	2.3
199.04643	1.0
201.02475	1.8
201.07964	1.5
203.04004	14.5
208.04611	1.7
211.00943	1.2
213.02525	1.3
215.00465	7.3
215.03992	10.9
217.01941	3.8
219.03516	1.7
221.02997	1.1
221.05074	3.7
227.03986	8.4
228.05704	3.0
228.55862	1.9
229.01920	3.1
231.03510	3.9
237.06308	1.4
239.04008	1.3
245.05075	100.0
246.05307	3.3
247.02946	5.4
257.05026	6.0
259.03003	2.7
261.04694	1.3
263.06091	12.5
264.06476	1.4
271.02917	2.6
275.02621	3.4
275.06122	14.1
286.07727	1.6
289.04016	11.9
293.07239	4.4
299.02676	1.2
301.04031	2.9
303.05652	1.7
305.07208	11.6
307.05164	11.8
315.05460	1.3
316.08740	1.2
317.03406	1.2
319.05206	6.4
321.06650	1.3
331.05038	5.3
333.06671	1.2
335.08279	6.5
343.05453	1.3
349.06183	12.4
359.04684	3.0
361.06082	1.7
365.05255	1.2
365.09372	14.0
373.06085	1.2
377.05582	4.0
383.10416	1.7
391.07150	7.4
409.08328	4.5
469.10254	1.4
511.11325	5.2
539.10767	2.7
571.13165	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	571.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55670	0.8
56.96544	1.0
58.99858	1.1
66.48508	0.8
69.03411	0.9
70.87237	0.9
71.50645	1.5
82.99854	1.6
85.02887	1.2
97.02914	2.4
101.00869	7.0
109.02850	1.0
113.00833	1.3
115.02402	1.5
119.01922	24.9
126.17558	1.0
127.02394	1.1
131.01912	7.3
133.03487	5.5
137.02992	3.6
139.02388	1.2
143.00862	1.8
143.01900	21.5
145.03473	12.7
147.01430	2.6
149.03001	1.8
155.01866	13.7
156.03625	1.7
157.03474	7.3
161.02954	31.9
163.04445	2.3
166.33572	0.9
167.01900	7.4
168.04968	1.0
168.99832	1.5
169.03467	3.8
171.01433	1.1
171.05077	2.0
173.01509	1.0
173.02956	27.9
175.04559	3.1
179.01964	3.5
184.04550	1.9
185.02945	40.6
186.03194	1.0
187.00890	3.3
187.04524	7.3
189.02431	1.4
191.04013	2.9
197.02937	15.1
199.00876	2.3
199.04643	1.0
201.02475	1.8
201.07964	1.5
203.04004	14.5
208.04611	1.7
211.00943	1.2
213.02525	1.3
215.00465	7.3
215.03992	10.9
217.01941	3.8
219.03516	1.7
221.02997	1.1
221.05074	3.7
227.03986	8.4
228.05704	3.0
228.55862	1.9
229.01920	3.1
231.03510	3.9
237.06308	1.4
239.04008	1.3
245.05075	100.0
246.05307	3.3
247.02946	5.4
257.05026	6.0
259.03003	2.7
261.04694	1.3
263.06091	12.5
264.06476	1.4
271.02917	2.6
275.02621	3.4
275.06122	14.1
286.07727	1.6
289.04016	11.9
293.07239	4.4
299.02676	1.2
301.04031	2.9
303.05652	1.7
305.07208	11.6
307.05164	11.8
315.05460	1.3
316.08740	1.2
317.03406	1.2
319.05206	6.4
321.06650	1.3
331.05038	5.3
333.06671	1.2
335.08279	6.5
343.05453	1.3
349.06183	12.4
359.04684	3.0
361.06082	1.7
365.05255	1.2
365.09372	14.0
373.06085	1.2
377.05582	4.0
383.10416	1.7
391.07150	7.4
409.08328	4.5
469.10254	1.4
511.11325	5.2
539.10767	2.7
571.13165	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	570.3401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.3
56.05036	0.4
58.06350	0.2
58.06606	0.5
59.07406	0.2
60.08164	5.7
67.05505	0.5
69.86756	1.1
70.06604	0.3
71.07376	2.4
81.07056	0.3
86.09703	29.3
98.20778	0.3
98.98463	3.1
104.10735	3.4
107.08629	0.3
107.64740	0.2
109.02912	0.2
109.10151	0.3
115.05499	0.2
124.99999	20.4
137.05965	0.8
137.09607	0.2
137.32298	0.2
151.03853	0.2
156.25624	0.2
164.16251	0.2
167.07103	0.5
184.07335	100.0
185.07672	0.7
258.11176	0.3
365.66177	0.2
386.21237	0.2
390.10840	0.2
412.20929	2.5
433.82083	0.2
452.23898	0.9
516.30695	0.3
534.31732	1.1
552.25653	0.2
552.33118	2.6
570.34058	2.3
595.79486	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02926	0.7
69.03416	2.0
69.46358	0.6
79.05490	2.8
81.03414	1.3
85.02912	7.4
85.03391	1.1
91.05482	6.4
93.07047	3.7
95.04945	1.1
97.02895	1.9
98.21527	1.6
99.04430	1.2
103.05469	3.0
105.07013	2.8
107.04964	7.4
109.02888	1.1
109.45661	0.8
115.05455	1.6
117.07030	1.3
119.04940	1.7
119.08583	0.9
121.06509	6.3
123.04401	2.2
124.05222	1.1
127.03893	1.2
128.06241	1.8
129.07024	7.5
131.04935	3.5
131.08580	4.6
133.06468	0.9
135.08026	2.1
137.05986	7.5
140.04739	0.9
141.07011	0.9
143.04951	1.0
145.04909	1.0
145.06502	2.4
147.04405	1.3
147.08083	1.2
148.05196	1.4
149.05954	2.1
149.22688	0.7
151.03862	1.3
151.07533	6.9
153.05496	4.4
155.07129	1.0
157.06468	7.1
159.08067	3.0
161.05988	12.5
161.09615	4.0
162.07669	0.8
163.07536	6.9
165.05492	1.2
165.06927	1.1
165.09132	3.0
166.06239	3.3
166.07642	1.3
167.07042	31.3
169.06451	0.9
173.05888	1.1
174.06792	4.4
175.07544	5.4
177.05476	1.4
177.09134	5.5
179.07008	1.3
179.08556	1.3
180.08604	1.8
181.08600	33.7
182.07393	1.0
184.03185	0.7
187.07495	2.1
189.09113	28.1
190.07668	0.8
191.07033	2.1
191.08659	1.2
191.10646	1.3
193.08597	1.9
195.08051	2.3
197.09608	2.2
199.07526	1.1
201.09142	1.4
201.85094	0.7
207.08124	1.3
207.10170	6.1
209.05978	0.7
209.09697	0.8
210.06604	0.9
212.08279	0.8
219.08165	1.8
219.10159	13.8
221.05974	1.9
223.07600	2.8
225.09132	6.3
229.12213	1.5
236.08319	1.0
237.11229	1.7
239.07024	1.2
240.07767	0.8
241.08627	1.0
242.09370	1.5
247.07404	1.2
249.11270	4.1
251.06969	1.6
251.10683	2.7
253.08549	5.5
254.09317	1.0
255.10208	2.7
257.08075	0.9
257.08975	0.8
257.11716	6.7
265.08588	1.3
270.08841	1.4
271.13361	2.5
279.10010	1.7
283.09665	4.1
283.13330	3.8
285.11215	12.3
297.11139	1.7
299.12933	1.0
302.11469	1.7
305.14084	1.1
311.12546	3.6
315.12271	7.0
317.13824	11.3
329.13873	1.3
331.15421	3.0
341.05579	0.7
343.15396	21.4
361.16458	100.0
373.16486	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.4199
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.0
53.13123	3.2
55.01864	7.2
55.05511	31.8
57.07063	8.4
67.05503	41.6
69.03391	3.6
69.07066	28.7
79.05495	36.9
81.06597	5.2
81.07050	76.1
83.04958	6.3
83.08617	18.6
85.06543	4.2
91.05473	38.0
93.07039	32.1
95.04977	18.4
95.08628	34.9
97.06521	7.1
97.10181	19.5
100.72431	3.0
105.07037	23.8
107.04959	5.2
107.08600	24.4
109.06500	19.3
109.10138	13.3
111.08055	6.4
116.06599	3.3
117.07012	14.0
119.08585	27.3
121.06483	5.2
121.10139	12.1
123.08059	3.5
125.09592	6.5
128.40956	3.6
129.07001	12.1
131.08563	23.6
133.10106	19.4
135.11667	9.7
141.06990	4.2
141.35252	3.1
143.08539	15.7
145.10133	25.4
147.07974	7.8
147.11646	13.1
149.09637	5.3
155.08549	8.2
157.10129	16.6
159.11685	14.6
161.13234	5.2
163.11079	4.0
169.10147	11.8
171.11652	13.0
173.13235	7.9
181.10190	4.4
183.11620	8.3
184.07297	5.1
185.13232	8.6
187.14682	5.7
197.13206	6.4
199.14822	8.3
201.16356	5.9
209.13170	5.1
211.14803	4.6
235.14711	4.3
249.14796	4.6
259.20532	4.2
273.18442	7.6
275.20090	5.2
277.21674	4.4
291.19565	32.9
293.21014	15.0
329.24707	4.2
397.30728	4.0
405.40442	3.6
409.31186	3.7
421.30911	3.9
423.32352	7.1
445.32938	7.9
459.34891	4.3
468.38104	3.7
500.34750	4.3
515.38873	8.1
533.40167	16.4
551.41089	35.8
569.42004	100.0
569.56720	10.5
570.42169	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	569.4202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12978	6.2
53.22110	6.3
55.05504	28.1
55.35262	7.7
57.07072	17.3
64.86678	6.5
67.05503	59.4
69.07058	25.8
69.88187	42.7
70.06573	11.7
71.05007	8.4
73.02316	7.3
75.83395	7.0
79.05490	58.2
81.03423	7.6
81.07055	100.0
83.08620	25.1
85.06522	7.1
88.07650	9.8
91.05479	83.7
93.07047	63.0
95.04961	14.5
95.08605	48.4
97.10123	9.6
98.21214	21.6
99.58548	6.6
102.09169	8.1
105.07027	89.9
107.02600	7.5
107.04956	10.3
107.08594	43.5
109.06520	19.8
109.10146	28.6
117.07024	27.7
119.08584	86.2
121.06564	6.6
121.10140	30.7
123.08104	10.1
123.11730	9.6
129.07039	13.5
131.08588	29.5
133.10124	72.9
135.11674	22.4
143.08537	10.4
145.10130	33.7
147.11714	71.9
147.22926	8.7
149.09616	19.8
149.13266	21.1
157.10124	16.7
159.11705	28.9
161.13228	35.8
163.11171	12.5
171.11696	20.0
173.13338	24.2
175.14839	16.6
176.02808	7.8
183.11664	8.8
185.13174	11.7
197.13185	10.3
220.13271	7.5
231.21129	10.6
239.17921	11.0
241.19405	17.3
259.20602	93.4
275.20081	82.3
276.20334	8.7
277.18259	7.5
277.21317	9.5
284.29456	10.2
285.29761	13.3
293.21198	14.6
301.06686	9.0
312.29834	9.5
393.83249	8.2
432.67529	9.3
551.41022	12.1
568.56592	10.6
569.41455	18.2
569.57037	60.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.4197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	8.4
55.01866	3.9
55.05513	31.2
57.03437	2.5
57.07072	3.7
67.05499	35.4
69.07068	14.4
70.15021	10.5
71.04980	2.4
79.05494	38.3
81.03424	2.8
81.07053	41.6
83.04971	4.2
83.08617	28.6
91.05484	40.1
93.07046	39.1
95.04961	19.6
95.08611	29.8
97.06526	6.2
97.10157	4.5
105.02430	2.3
105.07030	40.0
107.04962	10.4
107.08589	30.5
109.06508	5.2
109.10165	12.6
111.08100	6.3
117.07029	16.4
119.08583	41.6
121.06503	4.7
121.10148	18.1
123.08017	3.3
123.11693	2.3
125.09644	7.0
129.06998	5.9
131.08559	22.2
133.10123	32.8
135.08063	5.6
135.11694	14.4
139.11121	3.6
143.08560	6.4
145.10112	25.0
147.08026	5.1
147.11710	22.6
149.09645	27.3
149.13266	5.7
151.11211	5.2
155.08539	3.8
157.10117	5.2
159.11700	15.8
161.09633	3.2
161.13223	10.4
163.11191	30.0
165.12823	3.9
169.10132	6.1
171.11703	7.0
173.09590	3.9
173.13287	7.3
175.14824	5.6
177.12863	3.2
183.11728	6.1
185.13268	2.4
187.14769	4.0
197.13248	5.1
213.16464	4.2
215.17973	2.7
223.13234	14.9
229.19446	4.4
231.21033	2.3
233.15384	2.9
239.17946	12.6
257.19025	14.6
259.20636	12.2
275.20059	100.0
276.20834	9.1
277.21719	26.3
293.21118	24.0
301.21591	4.0
441.33691	5.2
533.39941	3.8
551.41034	7.2
569.41974	9.2
569.56494	3.7
593.73407	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	569.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50457	1.4
53.03936	4.4
65.88694	1.5
67.05499	3.8
68.87857	1.8
69.03421	2.6
69.53448	13.2
77.03893	2.2
79.05489	10.8
81.03413	5.4
81.07047	3.6
85.02898	3.2
91.05465	4.8
93.07036	4.5
95.04963	74.6
95.08673	1.6
97.02911	8.1
98.20775	3.1
103.05461	8.1
103.24292	1.6
105.03407	2.7
107.04951	72.6
109.02875	28.9
121.06487	12.3
123.04427	17.5
125.02349	32.3
125.06006	4.4
127.03873	3.2
131.04912	6.5
133.02843	4.2
135.04378	4.9
137.06024	7.9
137.09625	2.2
143.64020	1.8
147.04414	2.2
149.05943	18.8
151.03896	100.0
151.07506	4.8
153.05457	11.3
159.04391	3.1
161.05986	10.8
163.07631	2.0
165.05473	2.3
165.09149	1.6
167.07022	5.1
175.07422	2.0
177.05469	31.7
189.09082	6.4
195.06512	69.4
207.10143	4.9
213.07565	31.4
219.10141	11.8
250.80276	1.7
271.05972	3.5
272.06302	3.6
273.06577	8.6
274.06772	4.3
275.07211	2.1
277.08618	2.4
320.57483	1.8
339.10696	2.8
355.15329	2.6
357.11902	4.8
371.14908	2.9
392.89108	1.7
569.25293	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	569.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.5
55.01851	1.6
57.03437	1.2
58.29947	1.1
67.05508	3.0
69.03419	4.5
70.06601	6.2
71.01350	2.3
71.05003	1.2
75.58846	1.2
75.97737	1.3
79.05499	10.2
81.03426	6.7
81.07055	2.8
85.02899	3.0
86.09691	3.1
88.10690	1.1
91.05474	4.8
93.07031	5.0
95.01307	1.8
95.04972	76.8
95.08609	2.7
97.02899	11.6
97.33352	1.1
103.05499	8.6
103.46452	1.4
105.07036	3.7
107.04961	70.5
109.02882	32.2
109.06510	3.8
117.07001	1.7
119.04933	1.4
121.06526	11.0
123.04443	16.4
124.07594	1.2
125.02367	30.0
125.06035	4.5
127.03919	4.0
127.11147	1.4
129.69472	1.3
131.04929	4.4
133.02840	4.8
133.06444	1.8
135.04408	4.5
137.05968	10.6
137.09717	1.3
147.04437	1.9
149.05977	19.2
151.03911	100.0
151.07457	2.1
153.05473	14.0
159.04408	3.9
161.05991	3.9
165.05482	2.9
167.07072	7.6
175.07529	1.4
177.03920	1.4
177.05479	29.7
177.09155	1.3
179.06953	2.2
181.04965	1.6
189.09132	1.7
193.08636	3.3
195.06548	64.5
203.07030	1.9
211.09595	3.1
213.07579	29.1
229.15489	2.1
270.01682	1.3
321.09671	1.4
339.10797	3.1
357.12238	2.9
370.28583	1.3
436.75461	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
63.77924	0.3
67.01868	2.1
68.99792	0.9
69.03436	0.3
69.07064	0.4
70.06593	0.2
70.76542	0.5
70.76898	0.6
78.38616	0.2
79.05487	0.6
81.03413	0.4
81.07061	0.7
83.04963	0.3
86.09695	0.7
91.05455	0.8
93.07047	0.5
95.04984	0.3
97.02904	0.3
97.06524	0.7
97.57355	0.3
105.07050	0.4
107.08636	0.4
109.90881	0.3
111.00806	0.3
117.07069	0.3
119.08519	0.3
121.06514	0.3
125.00010	0.5
125.58672	0.3
145.06438	0.3
153.01822	8.7
153.03020	0.5
157.60217	0.2
171.02910	1.1
184.07376	1.4
203.03394	0.4
211.71361	0.3
213.05544	0.3
214.06219	0.3
229.05006	1.0
241.05025	0.3
242.05724	11.5
242.96992	0.3
253.05011	0.4
257.04422	5.2
258.05273	0.6
269.04453	0.7
270.05231	3.5
283.06021	2.2
284.06769	0.4
285.03989	1.5
285.07346	0.5
286.04730	1.2
299.05496	0.9
335.05594	0.6
385.07059	7.5
386.07559	0.3
387.05145	0.3
401.06650	0.8
402.07425	0.5
406.09232	0.3
417.09686	9.7
419.07550	0.7
429.05960	1.4
437.08752	1.0
443.07495	0.7
461.08594	1.5
485.08685	0.4
495.07449	0.3
501.11942	0.5
509.09186	0.4
527.09772	3.0
537.08160	26.8
538.08759	0.9
545.11151	0.4
553.07623	2.5
569.10767	100.0
570.11200	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	569.1072
Annotation	Ridiculuflavone D
Peak:m/z	Relative Intensity
59.36278	0.2
66.51189	0.2
67.01859	3.1
67.05519	0.3
68.99785	0.9
70.56230	0.6
79.05449	0.3
81.07040	0.3
86.09684	0.4
91.05483	0.5
97.02881	0.3
111.00786	0.3
124.99916	0.3
129.01855	0.2
132.05727	0.5
153.01826	9.4
163.04103	0.3
171.02904	0.8
184.07359	1.0
216.04182	0.6
217.04536	0.4
229.05003	0.6
241.04825	0.3
242.05717	7.3
245.13538	0.2
250.06294	0.2
253.04979	0.4
255.06557	1.3
257.04428	3.3
258.05109	0.4
265.08838	0.4
267.44711	0.3
269.04584	0.5
270.05151	2.7
271.05923	0.6
283.05948	2.6
284.06683	0.3
285.03979	1.2
286.04721	1.0
287.05539	0.4
288.05811	0.4
289.05896	0.2
299.05612	0.3
300.06403	0.6
325.07040	0.5
333.07614	0.3
357.07849	0.3
377.06531	0.3
384.06296	0.3
385.06995	11.1
401.06299	1.5
402.07343	0.5
417.09637	16.0
419.07654	2.9
429.05801	1.3
437.08627	3.7
443.07422	1.3
461.08725	1.3
469.09247	0.4
481.09143	0.3
483.10510	0.6
485.08615	0.9
495.06934	0.9
501.11801	0.3
509.08710	1.0
527.09705	8.2
533.29059	0.3
537.08154	26.6
538.08490	0.7
541.11755	0.3
553.07861	1.6
554.08215	0.6
569.10712	100.0
570.11090	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	569.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.8
59.21731	1.4
67.05471	2.3
68.01067	1.5
69.03407	3.9
69.50487	1.5
69.67225	10.2
75.88515	1.8
78.83612	1.7
79.05498	9.0
81.03413	6.3
81.07059	2.5
85.02882	3.1
91.05473	3.3
93.07054	4.4
95.04966	65.4
97.02891	12.2
97.06512	1.7
103.05456	4.7
107.04955	60.4
109.02876	30.0
109.06492	2.3
119.92330	1.6
121.06493	8.3
123.04442	13.6
125.01484	2.8
125.02347	34.4
125.05988	5.9
127.03899	2.4
131.04929	2.5
133.02876	2.8
134.55603	1.4
135.04407	4.2
140.16585	1.6
149.05980	16.2
151.03905	100.0
153.05446	12.4
156.48834	1.6
157.64265	1.7
159.04416	2.7
167.06935	2.0
176.80644	2.0
177.05476	31.2
195.06529	74.1
213.07593	27.1
229.01604	1.4
287.41608	2.1
339.10785	4.0
357.11768	4.8
493.62674	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.4268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	6.0
55.05511	13.0
57.07065	12.9
65.03913	4.8
67.05499	17.1
69.07050	11.0
69.57648	24.6
69.58060	10.4
79.05494	22.6
81.07050	36.8
83.08616	7.8
88.07606	8.2
91.05476	46.9
93.07043	47.8
93.35171	4.5
95.04964	36.6
95.08630	24.6
105.07032	100.0
107.08586	46.0
107.48040	4.4
109.06495	7.4
109.10141	19.5
116.06084	5.0
117.07018	24.5
118.07890	4.9
119.08576	95.7
119.09389	8.3
120.09350	7.9
120.72279	4.8
121.10130	34.7
123.08075	9.4
123.11761	6.8
128.06181	8.8
129.07007	14.1
130.07790	7.3
131.08568	40.4
132.09341	9.6
133.10126	59.2
135.08012	4.8
135.11696	19.8
137.09668	5.3
138.10390	6.9
141.06976	10.0
142.07805	15.0
143.08548	43.0
144.09285	12.7
145.10118	83.9
147.11684	27.4
149.13368	5.1
155.08557	20.8
156.09346	21.2
157.10120	47.0
158.10901	13.5
159.11684	42.4
161.09564	6.1
161.13220	5.7
166.07791	5.2
167.08591	7.5
169.10092	22.3
170.10934	6.0
171.11693	35.1
172.12508	6.2
173.13261	35.4
175.14830	20.6
177.12808	8.4
179.08595	11.2
181.10098	15.9
182.10863	12.9
183.11716	30.5
185.13219	27.8
187.14815	14.3
191.14223	8.3
193.10210	8.4
195.11731	18.2
196.12479	11.4
197.13258	26.7
198.14006	6.9
199.14766	12.5
201.53918	4.7
205.10060	6.9
207.11690	12.8
209.11546	5.2
209.13225	29.7
211.14774	22.5
211.49309	5.5
213.16284	8.5
217.15880	4.8
221.13292	10.3
223.14790	12.0
225.16425	6.1
234.13957	6.2
235.14787	8.4
237.16492	6.2
239.17874	5.2
247.14757	4.8
263.18076	4.7
265.19684	5.7
311.29587	6.5
312.87650	5.2
323.23746	9.5
338.26050	39.7
420.30383	7.3
430.32175	13.2
476.36511	23.8
533.41077	6.0
568.42700	29.8
568.56458	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	568.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.5
55.01853	5.6
55.05499	13.8
57.03437	8.0
57.07062	4.7
61.02934	4.6
61.85166	2.9
65.03954	4.0
67.05497	9.6
67.36407	3.1
69.03427	25.1
69.07053	14.9
70.06575	3.5
70.53978	6.9
70.54370	7.9
71.04984	25.4
73.02909	23.0
79.05492	22.8
81.03409	6.6
81.06599	6.3
81.07050	90.4
82.04433	2.9
83.08612	5.2
84.08143	3.4
85.02898	57.1
86.09703	3.6
87.04433	4.4
87.18475	3.4
91.05466	15.3
93.07038	46.0
95.08601	27.6
97.02885	39.5
97.06528	4.1
99.08073	3.8
103.03870	4.7
103.05474	4.1
103.81058	3.5
105.07027	52.9
106.80602	3.3
107.04962	3.9
107.08591	58.0
109.02792	3.8
109.10153	41.4
111.04511	3.2
115.03896	21.5
117.06959	4.6
119.08575	93.0
121.10139	11.3
123.11680	18.5
127.03928	19.2
127.11190	29.8
131.04865	3.3
133.04967	30.1
133.10110	38.7
135.11681	100.0
137.05960	11.4
137.57841	3.6
138.06325	3.8
143.10657	23.1
145.04936	22.5
145.06503	4.3
147.11647	24.6
149.13243	9.4
151.03868	6.8
153.12747	10.3
157.31598	3.4
161.13240	18.7
163.06056	17.7
163.14847	6.2
167.07089	8.6
175.07491	7.4
184.07364	8.0
187.07536	3.7
203.17947	68.6
221.19009	79.7
223.05899	4.6
227.08171	3.4
235.09529	3.7
240.03206	3.4
241.07039	6.5
241.09540	5.8
254.10132	3.6
259.08099	22.4
277.08984	5.7
295.10178	15.7
299.10269	12.0
313.11649	3.7
373.13916	22.6
446.35736	3.8
550.17535	5.1
582.56799	4.2
599.31348	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	568.324
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49034	0.2
55.01871	0.6
55.05511	0.2
56.05018	0.6
58.06616	0.5
59.04967	0.2
60.07852	0.3
60.08162	6.3
65.03938	0.3
67.05504	0.4
69.27316	2.0
70.06586	0.2
71.07372	2.8
79.05489	0.8
81.03454	0.2
83.08626	0.2
85.02900	0.3
86.09702	28.7
91.05469	0.6
93.07042	0.3
95.04961	0.5
95.08631	0.2
97.06527	0.2
98.98449	2.6
103.05496	1.0
104.05843	0.3
104.10738	4.0
105.07011	0.3
107.04943	0.7
109.02902	0.2
113.23339	0.2
115.05463	0.2
117.07068	0.2
121.06500	0.3
124.99998	20.3
131.04924	0.9
132.05260	0.3
133.02840	1.4
133.06453	0.4
134.03162	0.4
137.05952	1.8
138.06316	0.7
143.01085	0.4
144.05704	0.2
145.06392	0.2
149.05965	0.4
150.06190	0.2
151.03946	0.3
151.07547	0.3
153.05510	0.3
159.07924	0.2
161.05971	0.4
163.03783	0.3
163.07495	0.6
164.07846	0.3
165.05426	0.7
166.02689	0.2
167.07062	2.0
168.07364	0.5
173.05946	0.4
177.05571	0.4
178.05737	0.3
179.07014	0.3
180.07451	0.3
181.05000	0.9
182.05304	0.4
184.07332	100.0
187.07449	0.3
188.07834	0.3
191.07019	3.2
192.07388	2.1
205.08531	0.2
207.06503	0.3
209.08060	0.6
210.08473	0.3
249.11119	0.4
265.08469	0.3
287.05490	0.3
311.12357	0.2
340.12616	0.3
400.14606	0.2
401.15637	0.2
493.27206	0.2
550.22961	0.2
550.31415	1.4
552.93073	0.2
553.38300	0.2
568.22412	0.6
568.32373	4.6
569.19720	0.2
586.00391	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.2
56.05038	0.3
57.03433	0.2
58.06587	1.8
59.07382	1.8
60.08161	5.9
67.05502	0.3
70.06570	0.2
70.77087	0.3
71.07368	2.5
86.09702	27.5
90.57870	0.2
93.39511	0.2
98.98455	2.3
104.10735	4.1
124.99999	17.7
126.36922	0.2
138.68655	0.2
143.01048	0.2
158.30060	0.1
166.02611	0.2
168.04236	0.2
184.07330	100.0
185.07672	0.4
198.43774	0.2
210.08923	0.6
212.82452	0.2
239.09219	1.0
255.88916	0.2
258.11005	0.2
299.11102	0.2
312.12033	0.4
331.10190	0.3
336.42920	0.2
385.34363	0.2
403.90314	0.2
412.20511	0.4
435.69623	0.2
438.22348	0.7
480.23541	0.2
534.31714	0.2
550.30847	0.3
568.32513	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.3243
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71001	0.2
56.05034	0.5
57.03420	0.2
58.06593	2.4
59.07374	2.1
59.93327	0.2
60.08160	6.0
67.05497	0.6
70.11592	0.2
70.48524	0.5
70.48930	0.4
71.07369	2.7
79.05497	0.4
81.07052	0.4
82.87578	0.2
83.04980	0.3
86.09702	27.0
91.05493	0.3
93.07063	0.2
95.04995	0.3
97.06521	0.4
98.20942	0.2
98.98449	2.3
104.10736	3.5
105.07014	0.2
107.04974	0.2
124.99996	18.8
129.05493	0.4
133.82472	0.2
137.05927	0.4
139.33440	0.2
163.03928	0.2
167.07024	0.3
168.04181	0.3
184.07333	100.0
185.07806	0.3
186.07756	0.2
202.15881	0.2
206.88689	0.2
210.08800	0.8
213.52641	0.2
239.09120	1.5
239.50397	0.2
258.10950	0.3
312.12192	0.3
331.09991	0.4
395.14462	0.2
412.20877	0.3
448.01892	0.2
534.31586	0.4
537.08063	0.4
550.31342	0.5
568.32434	1.7
569.10742	1.4
569.19757	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2988
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21665	0.3
55.05492	0.9
56.96563	6.9
57.03406	0.4
60.08153	0.4
62.63962	0.4
67.05470	1.6
67.16219	0.3
69.03401	0.6
69.07040	0.5
70.40064	0.4
70.40395	1.1
71.95232	0.6
72.96008	0.5
77.90106	0.3
79.05454	1.5
79.61547	0.4
81.03367	1.0
81.07019	1.7
86.09669	1.1
91.05446	1.2
93.07018	0.9
95.04906	0.4
95.08559	0.5
97.06528	2.5
98.97569	0.9
102.76290	0.4
104.10697	0.4
105.07035	0.6
107.08561	0.6
109.06461	0.4
109.10095	1.1
116.98579	0.8
119.08528	0.7
124.99956	0.7
128.98550	1.4
134.99623	0.4
139.00632	0.6
141.02182	0.4
146.99591	1.0
157.01717	0.8
165.07098	0.4
169.01657	0.4
171.03262	2.9
173.06030	0.5
175.02785	3.1
177.04314	1.1
179.03650	0.5
183.03349	0.5
184.07346	3.4
185.07652	0.8
186.01939	0.6
187.02835	0.5
189.04382	3.6
191.05841	0.4
193.03888	2.3
195.05327	0.7
197.04794	0.8
199.06502	0.4
203.05760	0.5
204.03050	0.4
205.01785	0.6
209.04805	0.9
211.06612	0.9
217.05096	0.5
221.04881	0.7
223.02734	1.5
224.03625	1.9
225.07968	1.2
229.07306	0.4
234.05682	1.0
239.05904	2.1
239.09572	0.6
242.04655	0.8
243.09169	0.5
251.05983	0.9
252.06691	6.1
253.07469	0.5
255.05930	0.4
257.06955	0.8
270.07721	3.1
271.08551	0.7
279.12723	2.2
285.11523	2.1
291.19543	0.6
297.13712	0.7
303.12631	15.6
304.12930	0.5
321.13730	100.0
322.14258	1.5
339.14749	6.0
344.15344	14.6
345.15829	0.5
435.12646	0.4
443.20618	0.8
531.27338	0.6
549.28748	0.8
567.29968	38.0
568.30408	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.5
55.01865	3.7
55.05503	1.7
65.03923	6.3
66.04687	1.9
67.05492	1.8
69.50020	6.0
69.50438	4.8
70.06578	1.4
78.04701	1.6
79.05471	4.7
81.07031	2.9
85.02892	3.4
91.05473	15.4
93.07031	3.2
94.04182	2.9
95.04946	5.5
97.02768	1.2
98.05969	1.3
98.20724	1.3
101.14523	1.3
103.05459	38.5
105.03398	3.1
105.07003	7.4
106.04212	1.6
107.04963	7.8
109.06503	3.9
110.03637	4.0
111.04446	4.5
115.05424	2.9
117.06973	1.9
118.04146	1.9
119.04926	11.7
121.06490	6.6
122.03638	5.7
123.04408	4.2
125.05975	4.9
129.06998	1.5
131.04921	67.1
133.02850	2.6
133.06448	6.0
134.03647	1.5
135.04379	2.9
137.05968	100.0
138.06439	1.3
144.05670	1.5
145.02789	1.4
145.06487	6.7
146.03572	2.2
147.04419	8.7
147.08067	3.2
149.05952	5.9
150.06799	1.6
151.03896	9.2
151.07542	13.2
153.05431	14.3
155.07010	2.6
157.06509	3.5
159.08038	2.5
160.05241	2.1
161.05971	17.2
163.03876	1.9
163.07535	53.2
165.05464	5.7
167.07025	38.3
172.05142	2.5
173.05972	4.2
175.03790	1.5
175.07491	9.5
177.05476	7.3
179.07053	12.7
185.05904	1.7
187.07521	11.1
189.05463	3.6
189.09070	5.0
190.06203	5.4
191.07022	8.6
191.08556	2.1
193.08623	3.3
199.07480	3.7
201.05508	1.7
201.09035	1.9
203.07031	6.1
205.06744	1.6
205.08620	5.0
205.98137	1.4
207.06487	4.6
209.08124	3.9
213.08932	1.5
215.06955	2.9
216.07664	1.8
217.05038	1.4
217.08569	2.4
219.08218	2.0
220.09023	1.6
221.08034	3.4
222.06534	1.4
227.06989	1.9
233.08023	9.9
234.08794	3.8
235.07530	2.6
235.09641	2.4
237.09116	1.5
238.06216	2.1
240.07840	1.8
241.08420	1.9
247.07393	2.1
247.09706	2.3
249.09004	1.5
251.10725	2.4
255.06511	1.6
264.07852	1.9
265.08499	1.7
267.06625	2.3
268.10931	2.0
269.08170	2.1
271.06030	5.1
272.06390	2.0
273.06525	2.8
276.07657	1.9
277.08456	3.0
279.10110	4.0
283.09790	1.8
283.13333	1.4
295.09625	2.2
296.10468	1.8
297.11130	4.1
298.08185	2.7
300.09991	3.4
307.09457	2.9
309.11145	5.7
311.12833	5.9
321.11261	3.6
323.12805	2.4
325.10712	2.0
329.13907	1.9
339.12250	20.5
340.13031	11.7
341.13663	7.4
343.11813	2.1
352.12744	1.7
353.13815	2.6
354.14529	2.0
357.13422	2.9
369.13132	2.6
370.14139	4.4
371.14862	3.4
372.15747	1.6
387.14136	3.4
424.37253	1.4
515.66949	1.4
532.42200	1.3
537.21008	3.7
549.20905	3.0
567.22040	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	567.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.6
55.01874	8.1
55.05539	1.2
58.83656	1.3
64.19227	1.4
65.03938	6.4
66.35629	1.3
66.35992	1.3
67.05516	1.6
69.42170	7.8
69.42580	3.0
77.03915	2.5
78.04687	3.1
79.05478	8.4
81.03387	2.0
82.04196	1.7
84.04479	1.3
85.02869	1.6
91.05470	8.9
93.03387	2.1
93.07043	1.8
93.46275	1.2
95.04948	3.8
103.05460	17.0
105.03344	2.8
105.04530	1.4
105.07024	11.2
106.04168	1.7
107.04953	16.4
109.06531	1.8
110.03622	5.6
110.04305	1.3
111.04441	4.9
115.05460	6.6
117.06981	2.5
118.04140	4.6
119.04928	6.0
119.08592	1.8
121.06466	5.7
122.03619	5.5
123.04426	9.0
124.05206	3.8
124.91249	1.3
125.06027	7.8
128.06209	1.4
129.06976	9.3
130.04114	2.2
131.04926	15.2
131.08517	2.5
132.05704	4.1
133.02853	23.3
133.04637	1.6
133.06509	11.0
134.03674	1.5
135.04404	1.5
137.05968	36.6
141.06981	2.3
144.05659	2.1
145.06465	4.8
146.03583	3.4
147.04433	7.2
147.08005	3.0
148.05180	5.8
149.05983	6.0
150.75301	1.4
151.03822	2.9
151.07495	3.5
152.04628	4.1
153.05458	27.6
156.05649	1.4
157.06500	1.7
159.08015	9.5
160.05125	2.1
161.05981	12.0
162.06781	1.8
163.07507	11.6
165.05481	6.3
165.06804	1.6
167.07030	100.0
168.07481	1.8
171.08008	1.7
172.05136	2.5
173.05930	4.0
175.07538	23.8
176.04733	2.2
176.08165	1.4
177.05466	11.5
177.09207	3.1
178.07669	1.7
179.07082	7.1
181.04984	13.9
181.08537	1.5
187.07538	21.7
189.05463	5.2
189.06987	1.7
189.09091	3.1
190.07776	2.2
191.07021	79.0
192.07620	1.9
193.08632	1.5
199.07506	7.9
202.07828	1.9
203.08478	4.5
203.10275	1.6
204.09340	2.0
205.06599	2.3
205.08582	3.6
206.07274	2.8
207.06526	6.7
207.08167	1.8
207.57501	1.4
209.08107	12.5
212.61356	1.3
215.06853	1.5
215.08662	1.6
216.07884	2.0
217.08554	2.4
218.07262	3.3
219.08018	5.9
219.10156	4.1
220.08731	2.9
221.05980	1.7
221.07828	2.4
221.09633	3.9
223.07582	1.7
229.08557	2.5
231.08119	3.2
232.08875	3.0
233.05959	3.4
233.09587	3.5
234.06798	3.9
235.07500	4.5
235.09576	1.8
236.08189	1.5
237.11200	2.2
241.08543	1.9
244.64734	1.3
245.05946	2.9
246.06714	2.3
247.07509	5.0
248.08266	3.2
249.09084	6.5
249.11301	3.9
251.06966	2.4
251.10603	3.7
261.05511	3.8
261.09113	5.1
262.06091	2.0
263.07053	2.8
263.10822	1.9
264.07806	2.6
265.08575	5.4
266.09402	1.8
274.06424	2.0
275.07053	2.1
276.07858	10.4
277.08588	7.7
278.09366	4.4
279.06540	1.6
279.10120	4.3
281.08759	2.5
281.11682	7.1
288.07761	1.9
289.08603	4.4
291.10184	5.8
293.08194	3.2
293.11530	1.7
294.08688	2.1
305.07974	3.2
306.08710	2.6
307.09665	9.4
308.10461	3.3
309.11124	10.1
311.12839	1.9
319.09735	9.6
320.10291	2.9
321.11096	7.8
323.09174	1.7
323.12662	6.1
326.11313	3.1
329.10110	2.6
337.10663	2.5
339.12234	33.9
340.12881	1.6
341.13812	19.6
351.12283	19.5
352.12402	1.3
353.13748	8.7
399.14337	4.7
401.15625	2.8
567.21692	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	567.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
64.26073	2.1
65.03933	7.0
68.88740	1.9
69.63306	14.6
78.04718	3.6
79.05495	6.1
82.72786	1.8
91.05472	10.3
95.04967	2.0
98.21509	2.7
103.05472	5.2
105.07029	10.6
107.04929	12.7
110.03636	6.9
111.04434	8.6
115.05428	6.9
116.06173	2.9
118.04102	2.5
119.04924	9.3
119.08554	3.5
121.06470	2.5
123.04414	8.0
124.05221	4.5
125.05978	10.7
128.06248	4.3
129.06970	6.6
131.04909	6.9
132.05675	2.9
133.06447	7.6
135.04420	3.0
137.05962	14.5
144.05681	2.1
147.04433	10.6
147.07970	2.7
149.05972	4.2
151.03810	2.4
151.07550	2.5
152.04688	2.5
153.05469	39.1
159.08034	7.5
161.05988	15.1
163.07550	2.6
167.07036	100.0
172.05154	2.9
175.07538	28.5
177.05478	3.4
178.07751	3.4
179.07047	6.4
179.08516	2.3
184.07346	3.0
187.07539	24.1
189.05478	3.2
189.07118	3.4
190.07866	2.6
191.06990	10.6
191.08583	5.4
199.07516	6.7
202.07819	3.8
203.08545	5.6
205.06522	3.1
205.10167	2.8
206.07239	2.9
207.06419	3.9
209.07988	4.6
215.06804	2.2
215.08627	3.1
216.07820	4.0
218.07339	6.5
219.08003	10.1
220.08792	2.7
221.09557	3.9
230.07246	2.9
231.08040	5.3
233.05986	3.3
233.09685	5.2
234.06754	4.8
235.07684	4.2
237.09160	2.5
246.06824	2.8
247.07428	4.9
248.08231	5.2
249.09023	4.7
251.06990	2.9
251.10533	3.3
259.07538	3.4
260.08252	2.8
261.05545	3.1
261.09045	9.3
262.09778	2.6
263.07013	3.8
263.10562	2.2
264.07822	5.6
265.08575	8.8
266.09082	2.3
274.06403	2.6
275.06979	4.1
276.07675	9.5
277.08539	9.5
278.09183	5.0
279.10260	3.9
281.08594	1.8
281.11740	8.8
289.08594	4.5
291.10178	6.8
292.07190	2.1
293.07947	5.9
294.08728	3.2
305.08099	3.2
306.08881	3.5
307.09549	19.4
308.10437	6.0
309.11099	9.0
319.09573	8.8
320.10306	3.7
321.11148	9.5
323.09451	2.7
323.12796	9.9
326.11368	3.0
335.05231	2.3
337.10629	2.5
339.12256	54.9
339.16342	3.3
341.13928	20.2
351.12286	28.9
352.12445	2.5
353.13690	8.1
369.13275	2.5
371.14499	2.8
388.14938	2.4
443.08813	2.5
472.31226	2.5
579.84198	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1494
Annotation	Gladiatoside C2
Peak:m/z	Relative Intensity
54.79248	0.4
55.01840	0.5
60.08137	0.4
67.05486	0.6
70.12589	0.8
70.12997	1.6
76.61964	0.4
79.05475	1.0
81.03355	0.4
81.07034	0.7
86.09698	3.2
87.09987	0.4
91.05445	0.9
97.06508	1.4
98.20930	0.7
98.98468	0.6
103.05457	0.9
104.06239	0.5
105.07028	2.2
107.04918	1.8
115.05425	0.6
118.04147	1.2
123.04433	0.5
125.00014	2.6
131.04942	2.7
132.05678	1.6
133.06432	1.3
135.04356	1.1
137.05952	0.4
140.04605	0.6
146.03615	1.0
147.04382	1.2
148.05115	0.5
149.05971	0.5
153.01828	7.5
153.05466	1.2
157.78233	0.4
160.05165	0.8
160.90729	0.4
161.06044	2.2
163.03845	1.2
167.07047	1.6
177.05510	2.2
178.06357	1.1
181.08598	0.6
184.07343	11.3
185.07739	2.1
191.07036	0.9
192.07724	1.0
193.08514	0.6
196.07144	0.4
203.03441	0.9
207.97467	0.4
209.08055	0.4
213.05463	1.0
216.04181	44.2
217.04646	1.1
229.04852	0.7
231.06573	1.0
242.05768	0.9
243.06500	0.7
244.03679	3.5
253.04964	0.5
257.04346	0.8
258.05219	1.0
259.06030	6.7
269.04471	0.5
270.05264	0.9
271.06100	0.5
272.03183	6.1
273.03949	0.7
274.04599	0.8
285.04248	0.6
287.05499	78.9
288.05875	2.1
299.05405	1.7
301.03394	0.4
302.04202	1.5
310.04565	0.7
313.07092	0.8
315.04922	7.2
316.05765	0.7
317.06436	2.0
325.07233	1.0
327.04990	3.6
341.06775	0.5
353.06577	1.1
449.08569	0.6
463.10260	0.6
475.10092	0.8
477.07913	0.5
507.13165	2.7
567.14966	100.0
568.15387	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	567.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44167	1.9
53.03944	2.2
55.01867	6.5
58.98911	2.1
60.08154	2.8
65.03931	5.8
65.93284	2.3
66.49767	2.1
67.05505	4.5
78.04693	2.6
79.05490	12.7
81.03391	5.1
81.07056	3.9
86.09709	18.7
87.10010	2.8
91.05476	15.1
93.03400	3.9
93.07058	3.6
95.04977	9.2
100.11358	2.3
103.05469	9.3
104.10771	3.7
105.07034	14.0
106.04151	3.9
107.04966	16.9
107.08578	3.7
109.02860	4.3
110.03647	5.3
111.04456	8.0
115.05453	6.9
117.07011	3.9
119.04962	9.1
119.08588	2.9
121.06503	8.5
122.03637	4.6
123.04448	7.3
124.05205	5.3
124.99986	11.4
125.05994	9.6
127.03921	3.3
128.06219	3.1
129.06976	11.4
131.04909	10.6
132.05710	2.6
133.02863	9.8
133.06493	9.6
133.10181	2.7
135.04404	5.1
137.05037	3.3
137.05983	40.2
139.03960	3.2
144.05733	3.7
145.06471	6.3
146.07260	3.0
147.04413	8.4
147.08148	3.7
149.05975	9.1
151.03906	10.0
151.07582	5.2
153.05502	25.8
155.04854	2.3
159.08051	8.1
160.05257	2.6
161.05981	21.5
162.06667	3.7
163.03944	2.9
163.07532	8.7
163.11206	2.1
165.05447	6.4
167.07042	96.4
168.07524	2.5
173.09752	2.0
175.07553	18.2
177.05470	17.9
178.07680	2.5
179.03404	6.0
179.07024	8.6
179.08484	4.4
181.04997	16.0
181.08583	6.7
182.05305	2.4
184.07349	60.6
185.07660	12.5
187.07562	27.6
189.05482	4.9
189.07027	3.3
189.09079	3.8
190.07729	3.6
191.07022	11.7
191.08571	4.5
193.08635	2.6
195.06458	2.8
197.08131	3.1
199.07565	5.1
201.09163	2.9
202.07828	5.4
203.08583	5.2
205.06474	6.3
205.08540	3.4
206.07283	7.4
207.06390	3.7
207.08124	3.2
209.08066	23.2
209.11560	2.3
211.07510	2.9
218.07263	3.9
219.08098	8.6
220.08815	5.2
221.06068	3.7
221.07864	3.3
221.09644	6.3
223.55145	2.1
227.12822	2.3
229.08614	3.7
229.59679	2.9
231.08080	5.6
232.08882	2.5
233.05981	4.6
233.09816	3.6
234.06764	7.6
235.07567	7.7
235.09621	3.2
236.08313	2.5
237.09055	5.7
241.08577	2.8
246.06750	3.1
247.07581	7.5
248.08325	5.1
249.09055	13.6
250.06187	2.5
250.09743	3.2
251.07024	4.1
251.10722	3.6
253.08640	3.6
259.07571	3.0
260.08337	2.4
261.09113	5.5
263.07050	5.2
264.07874	7.1
265.06104	2.5
265.08578	16.9
266.09460	5.1
274.06345	2.4
275.07028	4.9
276.07846	8.2
277.08597	10.6
278.09497	4.9
279.10184	5.9
280.07364	3.1
281.08435	4.7
281.11771	12.5
289.08633	3.2
291.10178	8.8
292.07355	4.8
293.08316	3.3
293.11670	6.1
294.08954	4.3
295.09464	3.5
296.10464	5.7
297.11142	2.3
299.09091	2.7
306.09009	2.5
307.09619	17.1
308.10522	5.1
309.11176	20.6
311.12717	6.4
313.10684	3.1
314.11594	2.5
319.09714	9.6
321.11249	8.6
322.12030	2.4
323.12781	6.3
326.11368	3.1
329.10226	4.3
339.12256	100.0
340.13116	4.0
341.13834	34.5
351.12238	16.8
353.13904	9.0
365.13940	3.5
369.13284	5.9
371.14874	18.3
382.13553	2.3
388.14938	10.0
395.14813	4.3
478.16028	3.1
519.19873	2.5
549.20892	4.5
567.22266	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	566.345
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05031	0.4
56.08732	0.2
58.06606	0.4
59.07420	0.2
60.08161	6.3
64.60561	0.2
64.74211	0.2
67.05510	0.5
69.07048	0.4
69.28136	0.5
69.28557	1.3
71.07369	3.2
73.79499	0.2
73.84723	0.2
79.05501	0.4
81.03407	0.2
81.07047	0.3
83.04981	0.2
86.09703	30.0
91.05495	0.4
91.30881	0.2
93.07078	0.2
93.97794	0.2
95.04965	0.3
95.08604	0.4
97.06537	0.4
98.98468	2.7
104.10732	5.2
105.07028	0.2
107.08607	0.2
109.10103	0.2
124.99998	19.8
143.01025	0.4
170.32872	0.2
184.07333	100.0
185.07692	0.4
198.08939	0.4
224.07787	0.2
254.78528	0.2
258.11050	0.3
282.69507	0.2
466.25412	0.2
516.30750	0.5
534.31781	1.0
548.33685	0.9
566.34637	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.0224
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	38.5
71.50597	8.3
77.11174	6.9
85.02888	11.0
97.02876	26.7
98.97590	34.5
113.03497	18.4
116.98599	52.6
119.01933	56.6
121.01641	11.8
129.21066	7.9
134.99641	47.0
135.02844	7.0
137.02936	27.3
153.00758	9.8
177.01006	43.3
178.01054	14.7
179.00757	11.6
194.17294	7.7
219.01991	37.5
221.01892	19.0
243.01985	9.1
256.96582	11.4
257.29239	7.3
261.00516	13.6
261.03040	100.0
262.03183	44.7
263.02829	40.8
264.03146	7.3
277.00900	9.5
282.99850	10.5
301.01019	16.2
303.00888	9.5
355.93716	17.3
356.93546	9.0
359.93619	11.0
397.94724	26.8
411.89127	9.8
425.60706	8.7
435.89343	8.8
439.95840	13.0
453.90591	16.0
454.90036	10.2
481.90216	12.6
499.90955	12.4
509.35556	9.1
515.84821	8.1
519.91669	40.3
520.91168	16.0
526.48291	19.7
526.81360	10.5
532.48291	14.4
532.81915	8.5
533.14587	10.3
533.85822	22.5
534.85687	17.0
536.29059	8.7
537.92822	52.2
538.48248	14.9
538.81683	21.8
538.92261	25.8
539.15076	19.7
540.07153	8.9
540.15826	28.4
540.81470	12.8
541.85468	11.0
546.15601	15.1
546.49445	10.4
547.84546	8.7
550.37140	11.4
552.87939	9.1
553.82947	12.9
554.15222	12.5
554.49585	12.6
556.87872	13.1
561.86230	10.0
562.37415	11.5
571.36053	8.9
579.86578	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	566.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00845	1.5
51.23994	1.4
53.03928	1.6
55.01875	3.4
55.05512	8.3
57.03420	4.6
57.07072	2.0
59.04977	2.8
61.02919	4.2
67.05511	9.8
69.00751	1.6
69.03423	13.0
69.07069	9.0
69.26594	14.3
69.27011	3.3
70.06587	1.9
71.04984	28.9
72.71960	1.6
73.02916	13.2
73.06565	2.6
79.05491	12.4
81.03417	2.4
81.06588	3.3
81.07052	41.7
83.04963	2.6
83.08592	5.0
84.59412	1.5
85.02897	24.7
85.06545	3.0
87.04426	2.3
91.05463	15.9
93.07040	19.9
95.04958	3.7
95.08601	18.5
97.02884	18.4
97.06541	3.9
97.10154	4.4
99.08081	12.5
100.15420	1.6
103.03928	2.2
103.05435	2.2
104.89942	1.7
105.07025	58.5
107.04922	4.2
107.08575	24.8
109.02878	4.9
109.06488	2.3
109.10143	14.0
111.08118	2.0
115.03921	10.1
117.07071	2.3
119.08581	19.7
121.10139	15.1
123.11714	6.3
125.09624	38.8
127.03909	8.5
127.07542	7.1
127.11182	8.5
129.09103	2.0
131.04918	2.7
131.08588	8.2
132.61604	1.6
133.04959	9.7
133.10121	91.3
135.11673	6.1
137.05962	7.4
139.03944	2.6
139.11189	1.7
143.10667	100.0
145.04930	7.5
145.10110	15.4
147.11676	26.0
149.13269	10.6
151.11163	6.3
159.11673	11.7
161.13190	8.9
163.06000	4.6
167.07004	3.5
167.14319	32.5
169.12256	6.1
173.13217	2.9
177.09103	2.7
184.07329	2.8
191.17993	1.9
193.08653	1.7
201.16382	16.0
219.17427	90.7
237.18492	18.5
259.08139	5.8
271.05908	2.8
274.27924	1.6
282.30829	1.8
295.10236	4.4
307.09766	2.2
338.18793	2.1
341.14236	2.3
381.22702	2.2
566.21051	1.8
566.31171	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.3447
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05041	0.5
58.06367	0.2
58.06628	0.5
60.08160	6.2
63.29945	0.2
67.05500	0.6
69.28511	0.8
69.28948	1.0
70.06596	0.2
71.04960	0.2
71.07371	3.2
75.37067	0.2
79.05488	0.3
81.07050	0.6
83.04993	0.2
86.09701	30.8
91.05451	0.5
93.07032	0.4
95.04990	0.2
95.08618	0.3
97.06510	0.4
97.19917	0.2
97.88097	0.2
98.98446	2.9
99.08128	0.3
104.10732	4.4
105.07037	0.3
107.08570	0.2
109.86617	0.2
124.99995	21.1
139.01547	0.2
143.01036	0.2
147.09998	0.2
148.55818	0.2
166.02676	0.2
184.07330	100.0
185.07681	0.4
198.08961	0.5
220.23441	0.2
258.10901	0.3
345.13004	0.2
399.98157	0.2
452.66528	0.2
452.97833	0.2
466.25378	0.3
494.65146	0.2
516.30927	0.3
534.32178	1.0
534.39075	0.3
548.33124	0.8
566.34912	1.8
579.30890	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.317
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	14.3
55.05500	20.3
56.37756	4.3
57.03423	12.6
57.07069	4.9
59.05002	27.6
61.02911	12.4
67.05496	16.4
69.03429	38.0
69.07063	14.2
71.05005	24.8
71.51261	7.9
73.02930	37.8
75.55737	5.4
76.98262	3.9
79.05488	27.0
81.03410	9.9
81.06600	6.0
81.07059	100.0
83.04964	10.9
83.08608	6.1
85.02901	64.6
85.06543	7.7
86.09694	12.3
87.04463	18.2
91.05483	29.7
93.07041	63.2
95.04983	10.7
95.08602	46.8
97.02891	47.0
97.06536	23.0
97.10159	7.0
99.08105	6.1
99.33220	4.8
103.05466	5.5
105.07032	65.3
107.04940	17.5
107.08596	69.1
108.02075	4.5
109.02880	9.6
109.06525	15.2
109.10161	38.8
111.08026	7.5
115.03947	35.6
117.07035	6.5
119.08590	40.2
121.06505	10.8
121.10155	27.5
123.04421	5.9
123.08064	12.5
123.11691	13.4
124.99973	7.0
125.09636	50.0
127.03949	22.3
127.11206	35.1
131.04933	10.4
131.08565	8.2
133.04941	39.1
133.10117	43.0
135.11717	52.7
137.06018	32.8
141.09102	6.9
143.10666	54.1
145.04948	21.3
145.10135	54.6
147.04424	12.9
147.11702	11.3
149.05920	9.2
149.13208	22.5
151.03947	5.2
151.11172	18.2
159.11710	17.7
161.05956	11.3
161.13266	50.8
163.06004	16.6
163.07376	6.6
163.11214	8.7
167.07048	26.6
169.12225	8.2
174.06761	5.4
175.07602	4.9
175.14774	5.3
177.05510	5.5
179.06982	8.5
179.14305	19.6
181.04971	6.5
184.07323	44.7
185.13454	5.0
191.07030	8.4
191.14322	6.6
191.17990	6.5
201.16394	38.2
209.07954	7.4
219.08101	5.6
219.17433	63.6
223.05928	9.1
231.08122	6.0
237.18491	17.6
259.08072	13.0
265.08630	6.2
269.11417	4.8
271.06134	5.5
272.06549	8.8
277.08698	10.4
289.08780	5.3
291.10168	13.2
293.08130	4.9
295.10028	10.2
312.12750	5.1
315.19449	4.6
317.34421	4.7
321.11334	5.2
328.16400	4.8
351.22061	6.2
356.15814	10.0
362.20517	5.4
374.16809	5.9
381.22507	5.8
549.20905	12.2
566.21783	20.3
567.22235	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70728	2.3
53.03939	2.8
55.01859	3.7
55.56871	2.3
58.69748	1.9
61.02918	2.9
67.05516	2.3
69.03419	8.8
69.52409	2.3
70.02957	3.9
70.06581	3.2
71.50084	4.8
79.05488	5.4
80.05020	2.9
81.03419	5.0
81.07024	2.8
82.06612	2.0
85.02898	30.7
91.05467	19.3
93.07028	4.8
94.02928	4.5
94.06573	4.5
95.04960	9.6
96.04521	2.4
97.02875	9.8
99.04417	3.5
99.07734	2.6
103.05444	3.0
105.03401	6.6
105.05772	4.1
106.06535	9.9
107.04944	18.5
108.08141	3.2
109.02892	4.5
109.06508	3.0
112.03946	5.5
117.05727	3.4
118.06544	25.6
119.04941	4.7
120.04442	2.5
120.08086	4.1
122.06027	100.0
123.04388	2.7
124.03976	5.7
124.07575	4.6
125.02341	3.7
127.03899	6.3
128.04945	4.6
131.04927	2.6
136.07578	15.5
137.05974	5.5
140.03438	44.3
140.07018	2.5
142.05017	12.3
144.04404	2.3
145.04962	7.0
146.06029	32.5
147.04430	4.5
148.07585	6.4
151.03912	6.8
154.04990	13.7
156.06580	14.6
158.05949	3.9
164.07066	19.9
165.05496	21.1
172.03937	18.1
174.05513	32.3
175.06096	2.5
176.07019	5.8
177.05463	3.5
178.08659	5.0
180.06506	11.9
182.08125	22.8
190.04959	7.3
190.08690	18.0
192.06535	20.3
196.09653	4.1
206.08080	4.2
207.13910	3.9
208.09688	4.3
209.08121	4.4
210.07619	31.9
224.09178	69.9
225.10016	5.6
242.10220	73.5
299.29239	2.4
330.74683	2.7
379.92163	3.0
566.20386	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.4043
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77383	13.7
55.66635	12.4
56.95403	13.0
57.23575	12.4
58.02991	12.2
67.05503	28.9
71.53383	15.7
81.07053	34.8
81.88731	12.4
89.60098	11.9
91.05469	24.0
93.07032	33.0
95.08617	17.3
98.26161	11.6
105.07036	62.0
107.08595	29.6
109.10140	51.2
112.03584	12.1
115.32259	12.2
119.08599	100.0
121.10122	65.5
123.11751	16.5
131.08563	30.5
133.10138	46.0
135.11665	20.7
143.08549	34.0
145.10114	42.2
155.08560	19.7
157.10138	50.2
159.11763	15.9
171.11633	22.2
173.13268	16.1
175.14870	14.0
182.11014	12.6
183.11723	13.8
197.13196	17.1
223.14767	15.1
249.79660	12.3
273.18661	23.8
299.20175	26.8
450.96353	12.9
467.36972	15.4
547.39569	13.6
565.40253	54.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.4038
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.2
55.01890	2.6
55.05509	9.9
57.07070	8.5
65.03932	3.0
67.05500	23.2
69.03431	4.9
69.07066	15.6
70.99347	4.7
78.11820	2.1
79.05486	15.3
81.03404	2.1
81.07053	25.7
81.10175	1.7
83.04954	2.8
83.08622	7.4
85.06559	2.2
85.60101	1.9
91.05477	27.4
92.52139	1.8
93.07044	31.9
95.04964	9.8
95.08611	31.6
97.06531	3.1
97.10191	1.8
98.21342	2.6
103.05495	3.1
105.07030	49.7
106.07805	2.1
107.08578	28.2
109.06510	4.1
109.10131	18.7
113.65414	2.0
115.05447	3.4
116.06260	2.4
117.07026	10.4
119.08577	57.4
121.06478	2.3
121.10142	33.7
123.08090	10.1
123.11698	6.8
125.06017	2.7
128.06245	6.9
129.07014	12.0
130.07813	4.0
131.08562	24.1
133.10132	30.3
135.08076	5.8
135.11711	13.8
137.09647	7.3
141.07004	3.8
142.07785	14.9
143.08549	26.6
144.09361	4.7
145.10120	38.6
145.11172	3.6
147.08037	9.9
147.11696	12.8
149.09627	4.3
151.07571	4.9
153.06964	2.5
154.07831	2.4
155.08546	11.5
156.09346	9.8
157.10132	39.8
158.10922	4.9
159.08151	2.0
159.11685	19.7
161.09692	3.7
161.13310	5.2
163.11270	5.4
165.07007	7.2
165.09109	16.9
166.07814	2.1
167.08644	5.6
167.10733	4.5
168.09346	5.5
169.10118	21.1
170.10968	4.7
171.11700	17.9
173.13246	16.9
175.14818	4.5
179.08575	9.2
180.09369	4.1
181.10114	12.8
181.12219	7.0
182.10951	6.2
183.11725	18.4
185.13246	15.8
187.14877	6.2
189.12724	2.9
191.08606	2.8
192.09364	3.0
193.10170	9.8
194.10991	9.3
195.11726	14.9
196.12473	4.0
197.13293	12.1
199.11298	2.1
199.14819	9.6
201.16380	3.7
203.08652	2.1
203.14420	6.8
205.10127	3.4
206.10901	5.9
207.11693	14.5
207.13647	4.0
208.12503	3.4
209.13287	20.0
210.14009	3.6
211.11261	2.8
211.14934	9.9
213.16454	3.9
217.10114	2.7
217.15990	2.2
219.11739	6.1
220.12544	5.8
221.13268	12.3
221.15433	35.3
222.14044	2.4
223.14769	10.6
225.16386	4.7
231.11705	6.8
232.12541	2.3
233.13197	8.8
233.15298	2.4
234.14124	4.3
235.14853	6.2
237.16519	5.0
239.18004	3.8
245.13324	7.3
246.14035	4.0
247.14812	9.0
247.17155	3.2
248.15790	3.1
249.16428	4.1
251.17833	4.6
253.19518	4.2
257.18976	2.5
259.14844	4.7
260.15579	3.5
261.16513	8.0
262.16925	2.0
263.17950	7.1
265.19553	10.4
271.14771	3.5
273.16403	5.4
275.17960	6.2
277.19574	4.5
279.21210	2.4
281.19107	2.1
283.15005	2.5
283.20654	3.6
285.16330	3.3
288.18674	2.6
289.19528	3.3
301.19293	2.4
303.21008	2.1
315.21198	2.7
331.24289	6.4
357.25970	4.7
365.24924	2.4
385.29025	2.7
473.34091	9.6
509.34360	2.1
547.39252	10.8
565.40454	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.4038
Annotation	28380-31-6
Peak:m/z	Relative Intensity
53.03951	1.9
55.01853	1.6
55.05507	8.1
57.07061	4.8
59.04990	1.7
64.17239	1.2
65.03930	3.0
67.05504	16.8
69.03407	3.4
69.07076	11.0
70.76699	2.2
79.05495	12.9
81.07055	21.7
83.04970	3.7
83.08621	5.3
85.06547	2.6
91.05474	25.6
93.07039	30.0
95.04958	9.3
95.08599	21.0
97.06526	4.2
97.10150	1.4
103.05473	2.6
105.07027	44.8
107.08585	28.8
109.06505	5.3
109.10155	18.7
111.08054	3.3
112.00150	1.3
115.05456	1.5
117.07026	11.0
119.08578	49.7
121.06511	1.7
121.10136	36.8
123.08073	9.5
123.11673	6.7
125.06047	1.7
125.09636	2.0
128.06194	7.0
128.07979	1.0
129.07005	9.6
130.07770	4.8
131.08551	20.9
133.06514	2.1
133.10118	32.1
135.08052	4.6
135.11684	14.0
137.09598	3.9
141.06989	5.2
142.07773	12.4
143.08549	21.7
144.09341	3.0
145.10112	31.0
147.08043	6.3
147.11679	10.9
149.09645	6.1
149.13196	1.3
151.07585	2.6
153.07014	2.1
154.07814	2.6
155.08556	11.4
155.10625	1.7
156.09319	10.0
157.10117	30.3
158.10905	5.0
159.08064	2.7
159.11678	16.7
161.09654	3.3
161.13264	4.7
163.11203	3.3
165.06992	4.6
165.09097	9.7
166.07680	2.1
167.08568	5.6
167.10672	13.1
168.09352	5.5
169.10124	19.7
170.10918	4.4
171.11674	21.4
173.09682	1.7
173.13271	17.1
175.11130	1.5
175.14847	4.5
178.07951	1.5
178.76167	1.2
179.08524	7.6
180.09370	4.6
181.10129	10.8
181.12253	2.5
182.10933	6.3
183.11685	17.2
184.12509	4.3
185.09601	2.1
185.13245	14.1
187.14836	6.6
189.12773	4.0
191.14284	2.2
192.09364	3.6
193.10089	11.3
194.10895	6.6
195.11679	17.4
195.13480	1.8
196.12515	4.4
197.13231	12.7
198.14217	1.3
199.14812	10.8
201.12721	1.4
201.16405	5.4
203.08530	1.7
203.14317	4.7
205.10124	3.4
206.10913	5.9
207.11696	12.6
207.13588	2.7
208.12404	4.1
209.13268	18.6
210.14061	3.0
211.11353	1.5
211.14748	9.8
213.12723	1.4
213.16379	4.3
215.14284	2.3
217.15977	1.5
219.11734	6.2
220.12526	4.2
221.13271	14.7
221.15414	17.8
222.14008	2.8
223.14760	10.5
224.15541	1.8
225.12790	1.6
225.16432	4.5
227.14325	1.6
227.17940	1.9
229.15973	1.8
230.10910	2.4
231.11688	4.6
232.12517	2.5
233.13251	7.0
233.15451	4.7
234.13937	2.8
235.14836	8.6
236.15598	1.6
237.16446	6.0
239.17937	3.6
239.28265	1.4
241.15912	1.5
243.11699	4.1
244.12566	2.4
245.13306	5.2
246.14056	4.1
247.14803	8.1
247.17006	2.0
248.15610	2.2
249.16411	4.0
250.17245	1.5
251.17877	6.4
253.19557	3.9
255.11755	1.9
255.17380	2.3
256.12531	1.8
257.13223	1.6
257.18884	2.1
258.14047	2.1
259.14865	5.6
260.15625	2.8
261.16437	5.0
263.17960	7.2
265.19394	6.2
269.19061	1.9
270.14020	1.6
271.14844	4.1
271.20456	1.4
273.16333	3.5
275.17838	6.0
277.19577	5.2
283.14923	1.5
283.20663	2.0
284.15601	1.5
285.16144	1.5
287.17740	3.2
289.19431	3.2
291.21063	2.1
295.20441	1.7
298.17081	1.4
299.17892	3.7
301.19638	2.6
303.21198	1.5
309.22095	1.5
311.17703	1.7
313.19385	1.6
315.21371	1.5
317.22681	3.3
321.07553	1.3
325.19354	1.7
327.21274	1.3
329.22525	2.3
331.24371	4.5
333.22125	1.5
343.24344	2.7
345.25784	1.5
347.23764	3.0
353.22556	1.8
357.25848	3.1
359.23654	1.4
365.24771	5.4
383.27759	1.6
385.28854	3.8
399.26877	1.7
425.28250	2.7
473.34174	7.7
480.26895	1.3
509.33957	3.3
529.38312	2.8
547.39307	17.0
565.40369	100.0
566.41071	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.4
54.49874	1.1
59.89678	1.3
67.05499	4.5
69.03427	9.6
69.07068	1.7
69.76385	2.7
69.76787	5.0
71.01332	1.7
77.03908	1.4
78.64314	1.3
79.05501	18.5
81.03420	14.1
81.07058	13.1
83.04983	3.9
83.08628	2.5
85.02937	2.6
91.05482	9.5
93.07073	7.0
95.01323	6.8
95.04962	10.8
95.08625	6.2
97.06535	2.8
103.05469	8.6
105.07039	3.3
107.04958	28.9
107.05647	2.2
107.08597	11.6
109.02904	3.3
109.06510	11.0
111.08102	1.9
112.06052	1.2
119.08564	3.0
121.06532	7.9
121.10131	7.7
123.04415	3.5
123.08089	3.0
125.02354	17.8
125.05968	1.5
125.09653	5.4
127.03973	1.7
129.07010	1.4
131.04941	3.1
131.08543	6.3
133.02795	1.3
133.10141	3.6
135.04431	3.6
135.08073	11.2
135.11705	5.6
137.07675	1.4
143.08519	1.7
145.10130	2.2
147.11743	3.3
149.05994	15.8
149.09576	7.5
149.13237	3.0
151.03905	60.8
153.05481	28.7
153.06622	2.3
153.09109	1.4
158.10921	4.8
159.04369	1.3
163.14825	6.2
167.07150	2.3
173.13266	21.8
177.05513	4.5
186.57442	1.2
191.14310	100.0
192.14719	1.9
195.06548	14.9
209.15373	50.3
210.15758	1.7
213.07614	3.2
288.67963	1.7
335.18588	2.2
353.19586	3.0
547.25201	5.7
565.26398	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	565.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.5
53.18131	2.8
55.05495	5.3
55.48779	3.5
56.65817	3.7
65.03957	4.2
66.66038	2.8
67.05502	17.5
69.03412	4.9
69.07076	3.4
70.12813	9.7
79.05504	10.0
81.03407	4.9
81.07059	5.2
83.04993	5.2
91.05489	16.2
93.07056	6.1
95.04972	14.4
95.08604	9.1
96.64616	3.5
97.06541	10.4
103.05478	6.2
105.06989	3.9
107.04948	17.3
109.02895	6.7
109.10163	7.8
111.04403	3.1
115.05444	4.2
117.07024	4.6
119.04977	4.9
119.08588	4.1
121.06501	4.2
131.04944	8.7
133.02823	8.6
133.06512	3.5
137.05957	22.0
137.09604	5.3
139.03908	3.8
141.07034	3.9
143.04903	3.4
145.06482	13.0
147.04417	4.4
149.05962	7.6
151.03896	15.7
151.07582	5.3
153.05582	3.4
153.07039	5.4
155.04877	5.3
157.06505	9.5
161.05943	10.0
163.03867	5.3
165.05508	6.9
165.06940	6.3
166.79712	3.8
167.07095	28.3
169.06540	10.5
170.01974	4.3
171.04439	9.0
173.06000	25.9
175.07526	6.8
177.05530	9.7
181.04979	22.6
181.06549	10.0
185.05984	8.4
187.07568	7.2
189.09242	3.5
191.07021	5.2
193.06482	3.5
195.06448	3.7
195.08170	5.0
197.05997	14.6
199.03903	9.1
199.07568	8.9
200.04684	12.9
201.05479	46.3
209.07971	3.9
211.07494	7.5
213.05453	48.0
213.09032	5.2
215.06947	7.8
217.05095	3.7
221.06076	5.9
223.07567	7.2
225.05463	11.4
225.09116	5.2
227.06935	7.0
239.07048	9.3
241.08607	5.2
249.09077	4.0
259.09674	5.6
267.09982	5.8
271.06042	19.2
291.13715	6.4
293.07971	5.0
309.14877	22.5
311.12900	4.8
313.14294	5.7
325.14374	4.1
327.15961	10.1
329.13718	4.7
337.10526	6.7
337.14279	100.0
343.12125	4.1
355.11365	5.2
355.15433	58.3
356.15692	4.5
369.13568	5.9
373.16388	15.5
385.12085	7.2
403.13077	8.1
510.72974	3.8
517.19067	4.0
529.20435	6.4
565.20947	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03627	3.6
52.62656	3.6
53.03923	3.5
55.01871	6.5
55.05511	7.7
67.05509	20.8
69.07048	11.4
69.27527	42.2
79.05492	28.3
81.03437	22.3
81.07045	15.3
83.04983	9.7
83.08617	5.6
85.35020	3.6
91.05499	18.6
93.07041	15.6
95.04984	18.3
95.08621	4.8
97.06532	100.0
98.06865	23.6
98.20681	7.7
105.07024	13.7
107.04986	8.1
107.08613	5.6
111.04467	4.1
119.08588	6.3
121.10117	5.1
129.07034	5.9
131.08594	6.2
133.02872	6.6
137.05930	4.2
145.02870	4.1
151.04002	5.9
157.10123	6.1
159.04478	6.8
161.05922	5.5
163.03893	32.4
167.07130	5.4
173.02348	9.9
173.05937	3.9
175.11174	7.0
176.11989	7.6
181.05002	5.3
181.06441	4.0
185.06023	7.6
187.03905	13.3
189.09291	5.9
193.12289	4.4
195.07979	4.9
197.06052	6.1
199.03941	10.7
199.07668	6.4
211.07634	4.0
213.05475	18.2
223.07649	4.9
231.10120	4.9
241.08603	8.7
259.09586	9.3
260.10144	8.0
267.13864	6.1
283.13306	5.3
287.05334	3.8
293.15256	5.0
311.12756	11.4
312.13043	9.1
313.14182	4.4
327.15869	12.3
328.16458	7.3
337.14407	38.1
338.14832	4.9
355.11359	6.1
355.15414	70.8
356.15680	47.1
373.16418	28.4
374.16699	5.1
384.11243	4.7
385.12061	5.2
403.13037	9.8
434.94595	4.0
438.10239	4.8
565.21594	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	565.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85095	4.6
51.99924	5.1
52.43654	5.1
55.05502	9.4
57.15440	4.7
67.05495	16.5
69.07059	7.4
70.09837	24.2
79.05482	24.6
81.03413	14.4
81.07053	27.2
82.84145	4.3
83.08619	6.8
89.03910	5.4
91.05463	28.3
93.07040	15.6
95.04979	15.5
95.08589	11.5
97.06536	12.6
98.06882	5.1
105.07024	17.0
107.04953	9.0
107.08551	6.6
115.05432	5.4
117.03362	6.6
119.08586	7.9
121.10117	5.4
123.08039	6.2
123.11697	4.8
129.07014	10.5
131.08553	11.9
133.10115	20.1
134.03624	6.2
135.04437	13.3
145.02859	8.4
147.08055	5.3
147.11716	14.2
148.73561	4.6
157.10104	12.5
161.02315	10.5
163.03893	69.6
173.02368	9.5
175.11230	16.3
176.12019	8.6
177.12741	5.9
185.05910	7.3
187.03934	13.8
193.12291	15.0
211.07561	4.7
211.13295	6.2
213.05495	21.4
225.05542	9.6
239.07051	11.0
246.02756	4.8
271.06067	8.1
319.13101	7.8
327.15967	6.9
337.14319	100.0
342.84183	5.5
348.51852	5.4
355.15381	49.0
373.16507	7.1
378.79279	4.5
529.25806	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	565.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	7.1
55.05499	13.4
57.03423	6.0
67.04862	5.1
67.05492	26.7
69.07059	5.6
69.36032	40.6
69.36448	12.7
74.59129	5.2
76.37035	5.7
79.05482	26.5
81.03409	17.4
81.07075	32.4
83.04972	10.7
83.08596	7.8
84.63021	5.8
88.79966	5.6
89.03859	6.6
89.97176	6.4
91.05457	25.2
93.07040	13.3
95.04973	14.6
97.06519	33.2
98.21545	10.7
105.07027	18.7
107.04935	11.6
117.03326	6.6
117.07030	7.0
119.08606	14.1
129.06972	9.6
131.08572	13.3
133.02829	8.6
133.10141	14.6
135.04440	12.7
142.58963	5.8
145.02817	8.2
147.11711	8.2
157.06410	6.8
157.10075	14.7
161.02336	11.3
161.05959	8.9
163.03928	64.4
170.03358	6.1
173.02264	9.5
175.11192	14.3
176.11928	18.5
185.06026	6.2
187.03880	17.5
193.12196	18.8
199.03902	12.8
211.13353	7.9
213.05469	30.1
225.05479	14.8
231.06380	6.2
239.07010	7.8
309.14737	7.8
311.12686	7.7
319.13498	7.7
337.04114	6.4
337.14407	100.0
342.65601	5.8
355.15411	35.3
356.15778	17.9
373.16373	11.7
374.16055	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	565.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	1.6
53.00297	1.0
53.03946	4.8
55.01862	2.8
55.05486	1.3
57.03429	1.8
59.05000	2.1
65.03937	1.2
67.05508	11.5
69.03431	17.3
71.01345	4.3
71.04974	3.4
73.02914	1.8
77.03930	1.5
79.05086	1.4
79.05495	23.2
81.03417	16.2
81.07039	2.2
83.04962	3.1
85.02902	15.9
91.05484	8.8
93.07053	9.0
95.01319	1.4
95.04967	40.1
95.08600	1.8
97.02896	14.6
97.06518	2.7
99.04441	3.4
103.03957	1.4
103.05457	13.0
105.03386	2.4
105.04508	1.9
105.07011	3.6
107.04958	100.0
108.05258	1.0
109.02881	82.3
109.06502	7.2
109.71545	0.8
111.04462	4.7
115.05452	1.6
119.04932	1.5
119.53864	0.8
119.78605	0.8
121.02835	1.1
121.06506	17.6
122.03580	1.0
123.04435	19.3
123.08078	0.9
125.02360	39.5
125.05982	3.7
127.03921	21.7
129.05467	2.7
131.04156	1.0
131.04942	9.2
133.02843	1.5
135.04436	7.2
137.05966	3.6
139.03902	26.8
139.07530	1.9
141.05424	1.4
145.04959	9.5
145.06129	0.9
145.06586	1.2
147.04384	3.7
149.05992	29.2
151.03905	83.5
153.05470	26.7
153.06740	1.1
159.04422	8.1
163.03932	1.7
163.07558	1.3
165.05484	56.1
166.05937	0.9
167.03412	1.4
167.07047	37.9
171.06509	1.5
173.05957	2.9
175.03894	2.5
177.05475	86.9
178.05887	1.4
179.07074	1.8
181.05009	6.1
181.08662	4.2
189.07556	4.8
191.06999	2.5
193.04956	2.2
195.06543	34.3
195.10217	1.3
209.08090	48.4
223.09570	0.9
227.09233	4.3
233.08095	1.2
269.06488	1.0
271.06067	3.0
295.08157	3.8
303.08878	1.4
321.09760	4.4
327.08633	2.1
339.10666	8.8
371.11209	1.8
373.12897	4.8
382.36951	0.9
403.13898	4.0
547.18304	1.3
565.19183	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	2.5
53.03944	5.6
55.01862	2.8
55.05503	1.6
57.03424	3.0
59.04992	1.9
61.02937	1.2
65.03917	2.1
66.30877	1.0
67.05500	10.0
69.03429	21.1
69.07088	1.2
69.46155	1.2
70.06577	1.1
71.01344	4.5
71.04988	3.5
71.49816	1.8
73.02919	1.5
76.21339	1.0
77.03893	2.2
79.05492	25.1
81.03412	15.5
81.07047	3.5
83.04961	2.8
85.02908	12.4
87.04468	1.1
88.17766	0.9
91.05476	9.0
93.07046	10.5
95.01281	1.0
95.04966	42.2
95.08590	2.0
97.02889	13.8
97.06522	3.3
99.04429	3.9
103.03967	1.3
103.05461	11.7
105.03376	2.4
105.04512	1.8
105.07021	3.5
107.04951	100.0
108.05318	1.1
109.02875	84.9
109.06501	6.7
111.04420	3.3
117.07068	0.9
119.04921	2.6
121.06509	17.0
123.04420	25.3
125.02348	43.4
125.05975	4.2
127.03908	18.3
129.05447	3.6
131.04933	9.1
133.02820	3.1
135.04401	11.3
137.05965	4.7
139.02820	1.7
139.03891	24.4
139.07494	1.9
145.04962	10.6
147.04414	2.9
149.05969	30.7
151.03899	88.6
153.05449	12.8
157.06488	1.1
159.04424	8.5
161.05905	1.4
163.03906	1.2
165.05476	57.4
167.07034	30.0
175.03893	3.4
177.05464	89.2
181.04927	2.9
181.08556	2.3
183.06503	1.9
187.03848	1.7
189.07587	4.6
191.07047	1.7
193.04947	2.4
195.06535	37.5
209.08087	43.6
227.09106	4.0
269.06552	1.3
269.10336	1.4
271.06003	41.2
272.06635	1.3
295.07959	2.8
303.08698	1.7
321.09836	5.0
327.08524	2.4
339.10791	10.5
371.11594	1.4
403.13834	3.6
565.18378	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.5
55.01870	2.5
55.05499	3.5
57.03429	4.5
58.27177	1.3
59.00320	1.6
61.02908	2.8
66.01204	1.6
67.05508	4.7
69.03432	10.3
69.84736	5.5
69.85145	3.6
70.06590	2.3
71.05010	4.4
73.02920	14.9
79.05493	4.3
81.03416	2.4
81.07070	4.6
83.04987	6.4
83.08627	5.3
85.02902	14.1
85.06578	2.1
86.06021	1.6
87.00726	1.8
91.05489	2.8
93.07063	5.0
95.04968	78.8
95.08618	4.6
97.02895	9.0
97.06524	3.0
98.21443	1.7
99.04451	20.0
103.05479	1.9
105.07055	4.5
107.04971	5.6
107.08595	6.4
109.02888	3.1
109.06502	10.8
109.10158	18.3
111.08073	2.4
115.03921	5.4
119.08569	5.7
121.10144	4.1
123.04403	1.8
123.08063	3.0
123.11744	1.9
125.09573	1.6
127.03958	4.1
131.04959	2.7
131.08597	3.6
131.37689	1.5
133.04947	4.2
133.10114	11.3
135.08063	2.9
137.05997	2.9
139.03929	3.8
139.11189	3.5
145.04942	5.3
145.10118	2.0
147.11656	2.8
149.09685	2.8
149.13200	4.1
151.03952	2.2
151.11208	6.6
153.09103	34.5
158.10886	2.4
160.20789	2.0
163.14868	2.3
165.05467	4.3
167.07057	4.6
167.14316	8.8
171.11679	2.0
173.13271	11.1
175.14774	2.0
176.09210	1.8
177.05460	3.7
177.40273	1.7
178.05965	2.4
179.07037	4.2
191.14308	13.3
193.15933	3.5
207.13823	6.0
209.15367	100.0
227.09146	1.7
227.16449	5.4
243.69478	1.6
252.15909	2.4
252.19695	1.9
305.17389	2.0
546.30243	1.9
564.21277	9.4
564.29858	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	565.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	0.4
64.76138	0.1
68.99803	0.2
69.03413	0.1
69.22594	0.2
69.22922	1.4
71.75809	0.1
73.02915	1.2
85.02888	0.2
91.05447	0.2
97.02895	0.2
97.73425	0.1
98.20708	0.2
105.11540	0.1
105.18834	0.1
115.03921	0.3
119.04942	1.2
121.02855	0.3
145.02852	0.4
153.01826	3.0
163.03850	0.3
167.06830	0.1
171.02902	0.5
181.04919	0.1
185.53400	0.1
195.82941	0.1
225.05496	0.4
229.04988	0.2
243.06511	0.3
271.06012	100.0
272.06311	1.4
287.05838	0.2
312.92511	0.1
433.11319	11.3
434.11871	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1553
Annotation	Apiin
Peak:m/z	Relative Intensity
57.03407	0.2
61.02901	0.2
62.27125	0.1
67.01842	0.2
68.99783	0.2
69.03390	0.1
69.16575	0.9
71.34034	0.1
73.02917	1.6
85.02878	0.2
91.05462	0.2
97.02889	0.1
98.20786	0.1
115.03888	0.3
119.04929	0.9
121.02855	0.4
133.04955	0.1
137.05981	0.1
145.02843	0.4
151.03917	0.1
153.01830	2.6
163.03896	0.3
171.02928	0.4
203.07053	0.1
213.05484	0.2
216.02321	0.1
225.05431	0.2
229.04906	0.1
243.06535	0.2
247.06065	0.1
271.06006	100.0
272.06323	1.6
403.10184	0.1
420.43210	0.1
433.11316	14.8
434.11755	0.3
565.15192	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1554
Annotation	Kapinnatoside
Peak:m/z	Relative Intensity
56.57106	0.1
67.01847	0.5
68.99813	0.3
69.03435	0.2
71.05005	0.2
71.51337	0.2
72.40717	0.1
81.03414	0.1
85.02889	0.5
86.09767	0.1
89.06027	0.7
97.02888	0.3
98.36800	0.1
105.07170	0.2
107.04976	0.3
109.02855	0.5
111.00860	0.2
111.04440	0.2
119.04950	0.2
127.03907	0.4
131.04984	0.1
135.04410	1.1
137.02344	0.5
137.05995	0.9
137.06902	0.2
145.04970	0.3
145.06354	0.1
147.04416	0.1
151.03879	0.2
153.01842	4.3
161.02357	1.0
164.21484	0.1
167.06985	0.4
171.02885	0.7
179.03450	0.2
181.05043	0.2
201.05354	0.1
204.65889	0.1
219.06404	0.2
241.04959	0.7
263.05606	0.2
269.04474	0.3
271.06021	3.6
287.05499	100.0
288.05838	1.6
317.06525	0.3
329.06366	0.2
383.97159	0.1
387.14203	0.4
433.11493	0.2
449.10846	0.2
522.44598	0.2
565.15399	4.1
565.28839	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.6
55.01861	2.0
55.05493	2.1
57.03424	1.5
67.05499	6.3
69.03422	1.5
69.07060	8.8
69.44475	0.8
71.01334	1.5
71.35940	1.6
79.05491	12.2
81.03413	0.8
81.07040	1.9
83.04974	3.6
86.09724	1.6
91.05466	1.6
91.94948	0.7
93.07018	0.9
95.04969	9.4
97.02883	1.0
97.06524	100.0
98.06838	0.8
106.89306	0.7
107.04968	1.1
124.08132	0.7
125.00038	1.0
128.06223	1.4
129.07008	0.9
131.04997	1.1
131.26622	0.8
141.06888	0.9
143.08539	0.9
157.06468	1.6
161.05983	3.7
162.03050	1.2
163.03882	10.2
167.08591	1.8
169.06512	0.9
171.08025	2.0
173.02333	1.6
173.05952	2.4
174.06752	1.1
175.07542	2.6
183.07985	1.6
184.07349	4.2
185.06000	1.7
185.09584	3.0
187.03818	1.1
187.07545	2.4
189.05479	1.2
189.09116	4.0
192.37541	0.7
195.08005	2.9
197.06007	2.1
199.07574	4.4
201.05602	0.8
201.09103	1.8
203.10556	0.9
209.09546	1.3
211.07581	2.2
211.11205	1.0
213.05495	2.1
213.09094	5.2
214.06128	0.9
215.07039	5.6
215.10599	0.9
217.08580	1.4
223.07623	1.9
225.08936	1.3
226.06367	1.0
227.10617	1.3
229.04951	1.0
229.08591	1.5
231.10172	2.8
237.08998	1.4
241.08549	13.4
241.12373	1.9
255.10106	1.7
257.11722	1.7
258.08893	1.6
259.09641	17.6
265.12195	2.3
267.10120	0.8
267.13803	2.7
269.08142	1.8
269.11575	0.8
283.13367	2.4
285.11295	1.1
285.14844	2.2
287.05466	2.1
287.08728	1.2
288.05798	2.5
293.11758	3.0
299.12851	3.8
299.15939	1.0
303.08374	1.1
305.10132	1.1
309.14966	4.0
311.12823	17.0
311.16278	2.2
313.11142	1.4
313.14310	6.4
327.15912	11.2
329.13583	0.9
337.14279	12.0
347.25925	1.1
355.15363	59.5
356.15814	1.7
373.16470	9.5
377.34946	0.8
383.11246	1.4
384.11478	6.3
401.12280	2.5
402.12650	8.9
458.33762	1.0
529.20422	2.0
547.22040	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3942
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.0
55.01868	7.6
55.05508	36.9
57.03426	7.7
57.07081	6.0
58.03325	2.9
65.03933	5.9
67.05505	86.3
69.03428	5.5
69.07060	24.9
71.04990	6.4
71.52420	5.8
72.84721	2.7
79.05490	50.8
81.03403	16.4
81.07049	100.0
83.04997	17.7
83.08611	18.7
83.74544	2.6
85.02915	7.1
85.06547	5.8
91.05476	52.1
93.07045	56.1
95.04965	13.6
95.08603	59.1
97.06530	11.9
97.10165	16.1
99.08170	3.2
105.07022	48.7
107.08591	39.0
109.06508	7.3
109.10139	32.7
111.04443	6.7
111.08075	6.1
117.07026	17.2
119.08574	34.5
121.06512	7.0
121.10159	29.4
123.08079	4.6
123.11694	11.0
125.09645	14.4
129.07011	9.3
131.08575	30.5
133.10129	22.1
135.08081	5.5
135.11676	20.0
137.09648	5.1
137.13281	4.1
141.07042	3.8
142.07794	4.3
143.08575	10.0
145.10133	24.6
147.08061	5.3
147.11679	22.5
149.09566	3.9
149.13275	11.7
151.11195	3.9
153.12747	3.2
155.08496	3.1
157.10156	13.2
159.11711	14.0
161.13275	10.3
163.11189	9.0
165.12682	3.9
169.10175	3.8
171.11678	12.0
173.13280	11.3
174.17433	2.8
175.11232	7.5
179.08580	2.8
181.10139	5.3
181.12239	5.1
183.11723	4.9
185.13197	7.5
187.14879	3.4
189.11223	11.5
191.10616	3.9
193.12180	14.4
195.20293	3.4
197.13329	4.8
199.14943	3.6
211.13196	17.6
227.12747	6.8
229.14378	4.9
245.13710	3.0
259.20642	3.8
261.22137	14.6
265.19440	3.5
269.17645	3.3
277.21506	3.6
285.16873	8.2
285.22293	3.7
301.25412	6.3
303.23123	8.1
317.24716	3.2
327.23132	3.7
335.25818	18.4
417.31473	5.6
435.32590	9.0
453.33478	12.3
471.34653	11.1
473.32428	4.3
489.35989	5.0
527.37286	35.4
545.38342	79.7
563.39142	40.6
567.31012	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	564.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96517	0.7
69.03382	1.0
69.46054	4.1
69.69963	0.5
79.05447	0.7
85.02900	2.5
91.05456	0.5
97.02877	0.9
97.04974	0.5
98.97501	1.0
107.04916	1.3
108.05705	0.6
116.98588	0.6
117.05725	0.7
118.06461	1.5
120.08041	1.5
127.03864	0.8
129.13625	0.5
134.09654	1.1
135.04366	0.6
136.07474	1.4
146.06009	11.7
151.03867	0.8
163.03786	1.2
164.06978	1.0
166.08659	0.7
175.50121	0.6
177.01811	0.5
178.08623	26.7
180.10204	2.8
190.08676	3.1
190.25060	0.5
192.10143	1.5
194.07979	0.5
196.09650	2.4
197.10416	1.1
203.33841	0.5
207.08862	1.0
208.09656	3.5
209.10461	3.9
210.07632	0.5
219.01819	0.8
222.11241	56.4
223.12029	5.0
224.09338	3.4
224.12813	8.9
237.02747	0.6
238.10641	2.3
240.12289	21.5
268.11609	0.6
275.09061	0.9
282.13339	14.3
296.14981	2.8
310.12839	0.9
312.14374	29.3
317.22513	0.6
332.07730	1.3
337.09079	0.8
342.15488	5.3
354.15387	5.3
366.15591	1.0
384.16541	19.0
402.17578	70.9
403.18005	1.4
442.12234	0.6
564.22876	100.0
565.23334	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	563.3939
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38729	2.9
53.03946	4.4
55.01861	10.3
55.05507	38.6
57.03432	11.2
57.07078	4.7
57.16936	2.8
60.84148	2.9
60.85673	2.9
65.03911	3.9
67.05504	96.6
69.03421	5.4
69.07061	29.9
70.34872	7.4
70.35271	5.4
71.04990	6.6
71.08643	3.2
77.63310	2.5
79.05023	4.2
79.05486	62.2
79.05924	5.1
81.03413	25.4
81.07053	100.0
83.04981	16.4
83.08617	27.5
85.02895	7.4
85.06548	6.0
91.05482	55.0
91.24622	2.8
93.07044	62.9
95.04972	19.3
95.08604	82.2
97.06526	12.1
97.10153	19.7
99.08092	7.0
105.07028	46.6
105.61448	2.5
106.00881	3.2
107.04948	4.8
107.08582	51.1
109.06516	6.5
109.10162	37.5
111.04459	9.7
111.08096	11.4
113.09634	5.6
117.07014	18.5
119.08583	49.4
121.06527	6.5
121.10144	35.5
123.08070	6.3
123.11723	15.8
125.09635	15.5
128.06226	4.0
129.07008	12.8
131.08553	36.9
133.10126	35.6
135.08055	6.3
135.11681	27.6
137.09665	5.1
141.07007	5.2
143.08549	12.6
145.10127	32.5
147.11658	22.0
149.09636	8.6
149.13275	8.5
153.09119	3.1
153.12814	3.9
155.08530	4.5
157.10120	19.5
159.11731	15.6
161.09714	4.3
161.13248	11.2
163.11221	8.5
163.14891	5.3
165.12773	3.6
169.10112	8.2
171.11697	12.2
173.11993	3.5
173.13200	16.5
175.11224	7.8
175.14725	4.6
177.12682	3.6
181.10095	6.3
181.12239	6.0
183.11668	5.6
185.13290	8.8
187.14838	5.4
189.11201	9.5
193.10295	3.9
193.12259	21.8
195.11722	6.6
197.13297	6.6
199.14888	5.4
207.11668	8.3
209.13327	4.6
211.13203	30.1
211.14984	4.4
221.13329	5.7
221.15298	4.8
227.12735	10.5
229.14281	4.9
251.18011	4.3
261.22202	11.8
279.23175	5.9
285.16916	12.6
285.22076	6.5
299.23395	3.5
303.23071	8.5
335.25897	15.2
341.24750	4.2
359.25830	7.2
435.32617	8.1
453.33276	13.7
464.52097	3.2
471.34601	15.8
473.32962	3.3
487.34558	5.4
489.36050	4.6
527.37402	35.4
545.38300	80.4
563.39246	55.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2099
Annotation	Unknow
Peak:m/z	Relative Intensity
69.17255	0.6
69.17654	3.5
78.06713	0.4
79.05463	0.7
85.02895	0.5
91.05448	0.5
93.29517	0.4
95.01083	0.6
96.01820	0.5
98.20743	0.8
103.05504	0.3
107.04955	1.1
113.02145	0.9
119.04922	0.6
121.06480	0.5
136.00641	0.3
137.05974	1.4
141.27400	0.4
147.04427	0.4
159.04207	1.7
161.05995	0.6
163.07585	0.9
167.06982	0.8
185.04204	1.2
189.05309	0.4
201.03668	0.9
202.05984	1.3
203.05251	4.4
204.07588	2.5
205.08363	0.5
210.34775	0.4
241.04828	0.4
264.31229	0.4
337.12723	1.0
351.10135	0.6
353.13626	1.3
365.11984	0.9
366.12967	1.5
401.15921	0.5
456.17203	0.4
563.20984	100.0
564.21460	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	563.2096
Annotation	His Tyr Glu Asp
Peak:m/z	Relative Intensity
51.01910	0.3
62.06387	0.3
70.06576	0.5
70.96140	0.7
79.05488	0.7
84.00975	0.3
85.02853	0.4
91.05474	0.7
91.19010	0.3
95.01085	0.7
96.01866	0.5
100.51057	0.3
103.05457	0.6
106.65444	0.3
107.04965	1.6
112.01354	0.4
113.02122	0.8
119.04949	0.7
123.04565	0.4
131.04942	0.7
133.86452	0.3
137.06010	1.7
139.03827	0.4
147.04364	0.5
159.04201	1.3
161.05994	0.9
163.03909	0.4
163.07581	1.2
165.05515	0.4
167.03198	0.7
167.07028	0.6
184.08075	0.3
185.04160	2.2
185.05647	0.3
188.58702	0.3
189.05315	0.5
191.07065	0.3
201.03719	0.9
202.06076	1.6
203.05237	5.3
204.07587	3.6
205.08473	0.4
209.08069	0.4
225.93178	0.3
271.94144	0.3
337.12704	0.8
353.13672	2.2
365.11972	0.5
366.12900	0.8
383.14685	0.7
401.15640	1.0
487.20044	0.4
563.20959	100.0
564.21222	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	563.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.6
55.01875	4.4
59.04996	12.0
65.03965	2.9
67.05517	4.5
67.43510	2.4
69.03422	8.6
69.25754	2.5
69.90495	2.4
70.89807	2.7
71.50883	4.9
73.02919	2.4
79.05495	14.3
81.03421	7.6
81.07074	3.1
83.04966	11.7
85.02901	10.8
89.37664	3.1
91.05469	8.5
93.07035	6.0
94.20760	2.8
95.04973	31.7
97.02892	11.7
103.03928	4.1
103.05465	10.6
107.04955	75.8
107.05646	5.0
109.02877	86.4
109.06532	5.0
111.04442	12.7
121.02910	3.0
121.06497	16.7
123.04453	11.3
125.02351	14.3
127.03949	4.5
129.05450	2.9
131.04922	11.1
135.04424	43.7
137.05984	14.6
139.03928	38.4
149.05986	29.7
151.03918	28.2
153.05443	10.7
157.04967	4.2
159.04471	3.3
165.05490	59.1
165.06784	2.4
167.07048	24.5
177.05476	100.0
189.05466	3.4
191.07056	3.8
195.06551	20.8
203.05511	4.4
209.08101	68.2
217.07002	4.2
240.04729	2.9
311.05960	2.8
349.10953	3.0
351.10809	6.2
369.11841	20.4
383.13678	4.4
425.40454	2.9
563.20471	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	563.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	8.2
55.01852	3.2
56.13248	3.0
59.04985	9.5
60.05637	2.8
67.05494	4.6
69.03414	12.4
70.06575	4.3
71.01339	3.5
71.51031	5.0
79.05479	24.8
81.03413	6.9
83.04977	11.0
84.47754	3.0
85.02930	16.3
91.05479	9.8
93.07047	6.4
95.04971	39.6
97.02885	12.4
103.05470	10.2
107.04948	84.3
109.02883	100.0
109.06512	8.2
111.04429	16.1
121.06487	25.9
123.04439	13.9
125.02333	12.0
127.03905	6.9
129.05472	5.9
131.04904	9.4
135.04420	47.2
136.04623	3.5
137.05972	7.0
137.66121	2.9
139.03906	50.2
141.05426	4.9
147.04440	4.3
147.92413	3.3
149.05963	34.0
151.03903	24.4
153.05515	13.2
157.04953	7.2
159.04390	6.7
163.03868	12.9
165.05481	76.9
167.07080	31.5
175.03947	3.5
177.05472	89.0
181.04968	3.1
187.03857	3.8
188.07080	3.7
195.06512	26.1
203.05513	5.9
209.08101	84.1
215.03346	4.3
217.08644	4.2
227.09088	4.1
240.56233	3.4
282.81207	3.6
335.19699	2.7
339.08496	3.5
351.10654	9.0
369.11914	23.3
383.14365	5.2
476.50815	3.1
563.20892	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	562.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	2.9
55.05515	17.5
57.03436	14.6
64.04674	2.8
67.05508	23.3
69.03416	3.7
69.07053	7.3
71.04983	3.4
71.51634	3.6
77.17663	2.4
78.80917	2.3
79.05493	28.7
81.03418	94.5
81.07058	26.1
83.04988	13.6
83.08624	24.8
85.02911	13.6
86.09702	6.5
87.73704	2.4
91.05484	30.7
93.07059	19.8
95.04967	26.8
95.08582	8.8
97.02882	5.8
97.06525	8.6
97.10133	5.6
98.36400	2.8
105.07047	16.7
107.04948	7.1
107.08577	9.4
108.72507	2.5
109.06493	6.7
109.10131	9.7
111.04459	3.5
111.08064	11.4
117.06944	3.7
119.08578	18.1
121.06481	6.6
121.10137	9.3
125.09608	3.0
129.07011	13.9
131.08569	12.3
133.06496	4.0
133.10136	10.7
135.08058	3.1
137.09663	4.0
137.75444	2.4
142.07756	2.9
145.06444	2.9
145.10141	6.2
147.07985	4.3
147.11687	10.5
148.43843	2.3
149.09604	6.8
157.10112	14.2
163.11143	4.6
171.04068	2.4
175.11176	11.6
193.12236	31.3
211.13309	18.7
221.63603	2.8
229.14250	3.4
267.15906	100.0
274.44382	2.8
283.15390	4.6
285.16946	26.4
320.73248	2.6
349.21667	3.6
367.22543	11.4
385.23553	12.9
433.25711	9.0
455.61227	2.5
459.27444	52.0
477.28348	41.9
562.30731	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	563.176
Annotation	Chrysin 7-rutinoside
Peak:m/z	Relative Intensity
55.50349	0.1
56.41615	0.1
57.03418	0.2
67.01858	0.6
67.05500	0.2
68.99818	0.4
71.04988	0.8
75.71507	0.1
79.05482	0.1
79.86806	0.1
81.03419	0.2
85.02920	1.2
91.05443	0.1
95.04999	0.2
103.05451	0.7
105.03394	0.6
105.07024	0.2
107.04952	0.4
109.02830	0.2
117.07029	0.2
129.03397	0.6
129.05499	0.3
135.04436	0.3
137.05969	0.2
145.06354	0.1
147.04404	0.6
149.05940	0.2
151.03920	0.2
151.07588	0.2
153.01836	3.5
153.06847	0.2
157.06429	0.3
161.06041	0.2
163.03877	1.2
165.05444	0.4
167.07027	0.7
171.02931	0.4
175.07420	0.2
177.05501	0.2
181.04950	0.2
181.06465	0.2
187.07552	0.3
193.72133	0.2
197.06003	0.3
199.07556	0.4
209.06047	0.4
210.06953	0.1
213.05475	1.3
213.09027	0.1
225.05431	0.2
227.06963	0.2
229.05011	0.4
229.59554	0.2
231.06409	0.3
237.05432	0.2
241.04974	1.0
255.06534	100.0
256.06857	1.2
257.04572	0.3
271.06024	8.3
286.04715	0.2
287.05554	0.4
303.92355	0.1
325.14401	0.3
353.13840	1.6
371.15027	1.4
383.11227	1.1
401.12341	1.7
417.11783	0.4
441.65280	0.2
563.18640	0.5
586.30127	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3781
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17485	1.9
53.03942	4.8
55.01864	9.4
55.05511	44.0
56.00662	1.9
57.03438	11.8
57.07063	2.6
65.03937	4.8
67.05502	68.8
68.79851	1.9
69.03414	4.5
69.07069	18.6
71.04991	5.0
71.42666	4.4
72.36153	1.8
79.05489	48.8
81.03423	15.5
81.07052	67.0
83.01342	2.1
83.04984	14.8
83.08620	24.7
83.20727	1.9
85.02895	2.5
85.06546	6.1
91.05480	40.1
93.06486	4.2
93.07041	50.6
95.04980	12.3
95.08601	46.4
97.06529	6.7
97.10157	33.5
98.69061	2.1
103.05436	2.8
104.43352	1.7
105.07014	41.4
105.32359	2.0
107.04939	6.5
107.08594	37.6
109.06500	3.7
109.10156	25.9
111.04455	10.0
111.08070	5.1
115.05441	2.8
117.07021	19.7
119.08567	35.2
121.06500	3.8
121.10126	23.1
123.08064	5.3
123.11700	7.2
125.09633	25.0
128.06216	2.4
129.07007	13.4
131.08560	33.7
131.54359	2.1
133.10136	20.7
135.08041	7.2
135.11684	23.9
137.09564	3.0
141.07014	3.0
143.08539	11.0
145.06493	2.3
145.10104	30.5
147.08076	2.3
147.11676	18.6
149.09601	4.9
149.13269	8.6
153.09119	2.2
153.12743	8.3
155.08536	7.0
157.10146	8.1
159.08043	2.9
159.11688	19.3
161.09581	2.6
161.13245	10.6
163.11128	16.2
163.14893	3.2
169.10117	5.5
171.10364	2.4
171.11624	9.5
173.09584	3.1
173.13240	15.2
175.11185	3.7
175.14813	4.1
181.10054	2.0
181.12241	8.9
183.11667	4.6
185.13251	7.8
187.14838	7.9
189.11201	16.7
189.12656	2.8
191.10628	6.8
193.12259	6.9
195.11629	2.5
197.13219	5.9
199.14839	4.4
204.39603	2.0
209.11679	3.3
209.13367	2.6
211.13261	6.4
211.14999	2.8
223.14801	2.3
227.12767	41.7
237.16544	2.3
243.21075	3.7
245.13837	4.8
257.18869	2.3
259.20575	5.6
261.22141	14.6
267.15982	3.0
271.20624	2.5
271.24234	2.3
273.22214	2.7
277.21646	5.2
283.15384	18.6
283.20538	2.5
289.21460	2.5
297.22153	2.8
299.23727	19.5
301.21671	6.9
315.22916	3.6
317.21494	2.1
317.24765	11.3
325.21686	2.5
333.24265	3.5
335.25922	10.8
357.24371	2.5
415.30075	2.7
423.32904	2.8
425.33521	2.4
433.31085	10.4
451.32013	17.5
469.33109	17.4
487.34137	15.9
507.34253	2.6
515.37146	8.0
525.35760	29.8
533.38507	3.0
543.36780	100.0
544.36920	2.8
561.37878	58.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3783
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.3
55.01862	8.8
55.05509	48.1
57.03421	7.5
57.07065	3.9
65.03942	5.5
67.05505	75.0
69.03416	5.9
69.07064	17.7
70.18477	11.3
70.73340	2.3
71.04994	5.1
75.49119	2.1
79.05496	57.7
81.03407	9.3
81.06598	4.1
81.07055	74.8
83.04955	11.3
83.08620	27.2
85.02919	2.5
85.06525	2.5
91.05476	43.2
93.07046	56.5
95.04977	13.0
95.08607	45.1
97.06525	8.3
97.10162	28.5
99.04424	3.1
102.88240	2.2
105.07031	41.5
107.04958	7.6
107.08595	35.2
109.06472	4.0
109.10152	28.6
111.04427	9.9
111.08070	7.7
117.07024	22.0
119.08580	34.6
121.06505	4.8
121.10141	23.8
123.08049	6.1
123.11707	9.5
125.09635	26.0
129.07005	13.6
130.07797	2.6
131.08559	30.8
133.06439	3.3
133.10164	20.8
135.08029	9.4
135.11673	18.1
137.09601	2.8
137.13324	3.1
143.08568	12.1
145.10133	27.3
147.08069	3.4
147.11647	16.0
149.09644	3.0
149.13264	8.2
153.09161	3.4
153.12733	6.8
155.08534	8.5
157.10126	12.7
159.11694	17.6
161.13251	9.9
163.11182	16.3
163.14793	3.7
169.10095	5.7
171.11682	11.3
173.09544	3.3
173.13228	13.7
175.11217	3.1
175.14795	4.5
177.12794	3.6
181.10027	2.5
181.12218	8.1
183.11842	4.1
185.13246	7.1
187.11250	3.4
187.14775	7.1
189.11145	15.2
191.10713	5.1
193.12311	4.0
195.11644	3.2
197.13206	6.8
199.14879	4.6
201.77171	2.4
203.14386	2.9
203.17715	2.3
209.11629	3.8
211.13148	4.5
223.14825	3.2
227.12798	35.0
243.21156	2.8
245.13768	3.4
259.20541	6.1
261.22086	11.6
283.15463	15.2
283.20694	3.2
299.23715	20.5
301.21539	3.9
315.23154	3.0
317.24759	14.0
333.24423	4.1
335.25986	10.9
423.32770	3.1
433.31058	11.1
451.32095	16.1
469.33160	16.2
487.34213	13.7
499.34009	2.9
515.37183	6.7
525.35876	22.9
543.36798	100.0
561.37720	55.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3783
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08824	1.8
53.03940	3.8
53.10340	2.1
55.01867	13.4
55.05513	50.4
57.03429	9.6
57.07078	3.4
59.04993	3.9
65.03922	2.5
67.05505	81.8
69.03416	3.3
69.07069	23.7
69.37925	8.5
69.38355	10.6
71.04990	5.4
73.05976	1.8
74.92149	2.4
75.56082	1.8
79.05496	55.0
81.03424	11.9
81.06596	4.2
81.07056	76.2
83.04975	15.7
83.08620	31.4
85.06541	3.7
86.09743	2.2
91.05483	48.8
93.07043	58.4
95.04972	16.6
95.08609	45.8
97.06541	8.8
97.10178	31.2
105.07031	42.2
107.04964	6.9
107.08598	41.9
109.06527	6.4
109.10161	29.3
111.04438	8.4
111.08108	9.9
115.05473	2.9
117.07018	21.1
119.07809	3.6
119.08584	34.1
121.06541	4.9
121.10152	27.1
123.08073	7.0
123.11727	11.0
125.09630	27.0
129.07001	14.0
131.08568	38.2
133.06468	3.5
133.10133	21.9
135.08047	6.4
135.11685	20.3
137.09566	2.3
137.13232	2.7
141.06984	4.9
142.07750	2.6
143.08539	12.6
145.06496	3.4
145.10123	33.3
147.08072	3.8
147.11688	16.4
149.09639	6.8
149.13266	8.5
151.11160	2.7
153.09135	2.4
153.12727	12.2
155.08542	8.2
157.10088	13.0
159.08084	3.4
159.11684	21.9
161.13275	7.9
163.11174	18.3
163.14799	4.3
169.10127	8.6
171.11685	9.5
173.09712	5.1
173.11847	2.8
173.13243	14.9
175.11179	2.8
175.14821	5.3
177.12885	2.5
181.12239	7.4
183.11723	4.1
185.13284	8.4
187.11055	2.9
187.14841	8.0
189.11232	17.6
191.10713	6.6
193.12239	6.2
195.11771	4.2
197.13313	5.8
199.14848	6.2
209.11687	7.2
211.13165	4.5
211.14931	4.0
213.16362	3.0
215.17836	2.4
227.12773	40.2
241.19595	3.3
245.13806	2.9
259.20450	6.1
261.22183	12.5
267.15848	4.8
273.22141	4.5
277.21579	5.5
279.23245	4.0
283.15390	16.9
283.20630	2.8
299.23654	19.5
301.21628	7.1
315.23166	2.7
317.24692	10.3
333.24274	3.9
335.25754	8.6
345.23935	2.2
353.24777	2.6
415.29532	2.2
433.31485	10.1
441.33862	2.2
451.32132	14.2
469.33170	13.3
487.34274	13.4
515.37646	4.0
525.35803	22.4
543.36792	100.0
544.37128	2.8
561.37958	59.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.4568
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.2
55.01867	6.4
55.05511	58.1
57.03445	6.4
57.07058	13.6
67.05505	69.7
69.07067	79.7
69.23794	3.3
70.87652	3.7
70.88005	11.0
71.04986	8.9
71.08617	11.8
79.05482	38.4
81.03396	8.2
81.06597	5.9
81.07055	91.9
83.04962	9.2
83.08152	5.8
83.08611	58.6
85.06503	7.3
86.09679	3.6
91.05472	41.5
93.07045	55.3
95.04946	10.3
95.08602	77.2
97.06518	16.7
97.10172	61.5
99.08066	8.8
105.07036	28.8
107.08580	32.7
109.06505	4.6
109.10157	39.2
111.08065	7.7
111.11725	20.9
111.73561	3.6
117.07037	5.5
119.08582	33.8
121.06502	4.0
121.10143	41.7
123.08047	8.4
123.11683	16.2
125.09576	8.2
125.13251	7.2
127.07594	3.7
131.08528	7.2
131.29803	3.5
133.10121	33.8
135.11670	41.8
137.09598	8.8
137.13168	10.7
138.75827	4.0
139.11150	10.9
143.08565	5.7
143.10663	6.2
145.10078	11.2
147.11676	21.0
149.13210	8.9
151.11226	14.1
151.14828	5.6
153.12715	10.3
157.12175	6.5
159.11729	5.8
161.13251	21.6
163.11205	6.6
165.12718	10.8
171.11617	5.8
171.13730	5.9
173.13202	4.0
175.14775	6.2
179.14355	20.6
183.13847	4.0
193.19505	6.7
197.15433	4.6
217.19519	58.2
227.12796	9.8
233.89790	3.9
235.20570	72.7
253.21619	100.0
259.20520	4.5
271.22644	43.8
275.20035	8.8
277.21548	13.2
541.34912	15.5
559.35669	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	561.3785
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	7.0
55.01857	9.3
55.05508	49.0
57.03421	9.0
57.07066	3.1
64.77036	2.2
65.03926	6.0
67.05502	87.9
69.03434	5.3
69.07070	31.1
71.04974	7.8
71.08626	1.9
79.05495	63.2
81.03403	9.4
81.07054	100.0
81.07534	4.9
83.04971	15.6
83.08611	28.0
85.06525	5.8
90.51625	2.2
91.05476	45.1
93.07044	65.4
94.92606	1.8
95.04968	16.1
95.08611	59.4
97.02850	2.7
97.06516	7.5
97.10159	33.4
99.08081	5.0
105.07037	45.6
107.04942	6.5
107.08588	48.8
109.06479	6.2
109.10153	31.1
111.04427	11.6
111.08101	10.2
115.05412	4.8
117.07018	26.2
119.08577	35.2
121.06481	4.7
121.10145	34.2
123.08056	3.2
123.11703	10.4
125.09612	20.0
128.06204	3.0
129.06996	11.9
131.08582	34.8
133.06425	3.0
133.10132	30.2
135.08046	6.9
135.11693	21.6
137.09592	3.0
137.13249	4.7
139.11183	2.8
141.07040	3.6
142.07745	2.8
143.08557	13.2
145.06505	2.8
145.10141	32.5
147.08003	3.6
147.11658	17.5
149.09613	5.9
149.13249	9.8
151.11166	5.1
153.09035	3.4
153.12737	10.8
155.08565	7.2
157.10118	12.8
159.11679	17.2
161.13268	11.3
163.11192	13.0
169.10092	6.1
171.07770	2.5
171.11726	12.0
173.09666	3.8
173.11862	3.8
173.13213	16.6
175.11133	4.7
175.14815	5.1
177.12749	4.6
181.10089	2.9
181.12213	9.5
183.11722	9.3
185.13240	8.5
187.13342	2.3
187.14844	8.1
189.11230	14.5
189.12706	3.9
191.10710	6.5
193.12221	7.6
195.11829	3.8
197.13226	6.1
199.14880	5.6
209.11627	5.2
209.13408	2.6
211.13167	3.2
213.16483	3.0
221.50510	2.0
223.14966	3.5
227.12764	27.9
245.13655	5.7
259.20532	6.7
261.19406	2.6
261.22122	15.2
273.22070	2.8
277.21634	5.7
279.23218	3.8
283.15436	13.7
297.21973	3.0
299.20456	3.0
299.23648	15.3
301.21548	5.3
315.23239	3.4
317.24817	15.5
333.24191	4.6
335.25693	11.0
371.25635	2.5
433.30902	9.7
445.39899	2.6
449.35800	2.7
451.32202	13.7
463.30411	3.7
469.33096	13.7
487.34192	11.8
515.37122	4.1
525.35657	22.4
543.36768	95.7
561.37677	75.5
561.48444	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	561.193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33602	4.2
54.97391	4.2
55.01866	4.9
59.37758	3.4
68.31367	4.0
69.03420	7.9
69.90869	7.0
69.91278	13.9
70.06592	6.5
71.01334	5.3
75.08781	3.9
76.17119	3.8
77.07199	3.6
79.05479	14.5
80.37106	4.5
81.03415	7.2
81.07023	4.7
82.04501	3.7
82.06598	3.9
85.02895	18.7
91.05469	5.1
93.61372	4.6
95.04964	19.0
97.02885	10.0
99.05558	16.4
103.05460	7.9
107.04298	7.5
107.04952	67.4
109.02866	10.3
109.06531	5.0
110.02375	7.7
111.04474	6.2
117.61133	4.5
121.02839	4.6
121.06507	10.6
123.04439	7.5
127.04053	8.6
127.05039	74.9
131.04890	8.0
135.04443	9.1
137.06018	5.7
139.03882	21.2
145.19836	4.3
146.05992	11.1
147.04405	7.7
149.05997	13.2
151.03926	19.0
153.06567	23.4
155.04538	6.9
159.04347	9.3
164.03416	10.9
165.05466	79.8
165.06755	7.3
167.07016	5.6
173.05580	100.0
177.05469	15.1
180.06453	4.5
183.97049	3.7
187.03844	6.0
191.07011	6.8
195.06503	4.2
199.07117	75.5
209.08081	13.6
216.06703	4.6
227.09117	9.0
239.07181	4.9
261.05194	6.4
265.08554	5.3
279.06235	11.3
279.09598	9.4
279.13376	15.8
281.08124	4.9
297.14380	4.6
311.08673	4.5
311.12137	3.8
349.10254	20.4
363.11630	7.0
367.14899	4.6
381.12787	54.1
381.16681	5.4
399.17862	11.8
529.15033	5.0
543.18219	23.8
561.19232	95.6
561.26794	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	559.3993
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03354	8.0
53.03928	13.6
55.05494	32.8
57.03441	8.9
59.04533	7.3
65.00866	10.0
67.05502	100.0
69.07044	22.8
71.51033	8.8
71.51434	9.8
79.05477	88.4
81.03397	11.9
81.07050	86.8
83.04967	11.2
83.08620	10.6
91.05458	47.2
92.25688	8.5
93.07043	77.9
95.04939	26.5
95.08613	51.5
97.06559	8.4
105.07000	45.8
107.04953	9.9
107.08586	27.2
108.84110	10.0
109.06461	10.4
109.10150	20.5
116.58792	9.3
119.08568	17.7
121.10089	18.1
129.06972	17.3
131.08568	19.0
133.10153	23.3
135.11717	13.3
137.36557	7.5
143.08531	13.2
145.10112	17.5
147.11636	36.9
159.11708	13.5
161.13196	13.2
171.11671	37.8
173.13266	8.9
189.12573	9.1
207.13812	25.5
215.15446	9.2
240.55267	8.9
256.26346	12.4
257.26831	13.1
261.22107	13.2
281.17343	33.2
335.25861	59.0
541.39014	87.5
559.43597	25.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	8.6
55.05499	23.7
57.03431	14.8
57.07062	9.8
58.11020	4.9
65.11024	4.4
66.13631	5.9
67.05502	95.9
69.03450	4.7
69.07070	24.3
71.04476	11.0
71.08636	6.6
79.05494	99.1
81.03417	10.4
81.07057	100.0
83.04961	11.6
83.08604	15.6
85.06554	6.6
91.05486	65.4
93.07044	86.2
95.04975	18.8
95.08610	68.8
97.10166	12.2
105.07034	56.7
107.04938	11.4
107.08562	47.8
109.10168	17.7
111.08065	5.5
117.07025	14.6
119.08607	34.1
121.10145	24.0
123.08012	5.1
123.11722	8.6
128.06212	6.8
129.06998	15.9
131.08568	22.4
133.10121	14.5
135.11690	15.7
143.08557	10.1
145.10117	20.9
147.11726	38.6
149.13293	7.7
159.11713	6.1
161.13239	15.8
171.11665	25.5
173.13533	5.8
179.14301	5.8
187.14687	8.3
189.12807	5.4
207.13797	21.3
213.16380	6.0
261.22153	12.5
269.97842	5.2
281.17520	28.8
296.29797	6.0
304.26508	4.9
335.25793	50.7
347.41113	5.4
541.38837	73.9
547.68707	5.7
559.37292	9.2
569.10522	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	559.3992
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	8.3
55.05510	32.1
57.03439	10.5
63.26609	4.4
65.03947	8.1
67.05502	100.0
69.07059	24.4
71.08626	7.5
71.51190	9.8
74.79715	4.8
77.19682	5.7
79.05489	98.1
81.03416	7.8
81.07053	81.1
83.04999	11.8
83.08604	15.3
91.05475	62.0
93.07043	86.4
95.04970	17.0
95.08614	51.6
105.07026	51.7
107.08596	33.1
109.10158	16.3
117.07021	15.1
119.08578	32.4
121.10158	22.7
123.08080	8.8
123.11726	7.0
129.07004	14.7
131.08536	13.7
133.10130	18.6
135.11696	14.6
143.08588	8.8
145.10126	18.8
147.11661	32.2
149.13318	9.5
159.11682	10.2
161.13293	9.6
168.72469	5.2
171.11719	18.5
172.21550	5.4
173.13254	7.9
179.14250	7.4
189.12732	9.1
207.13806	20.3
261.22147	12.8
281.17505	31.3
335.25876	47.8
454.21320	5.0
485.36713	6.5
541.38800	86.6
559.39276	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	558.4364
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35411	5.9
55.05496	18.6
57.03428	18.5
57.07082	35.0
59.91741	5.9
60.01896	5.3
67.05509	26.9
69.07055	9.2
71.08617	28.3
79.05479	25.9
79.42096	5.7
81.03422	56.6
81.07053	37.3
83.04967	13.3
83.08607	28.7
85.02888	10.5
85.10176	12.7
91.05500	34.3
93.07036	11.6
95.04961	13.6
95.08630	29.6
97.10155	11.6
104.10763	5.5
105.07008	12.6
107.08586	10.5
109.10139	8.6
111.08080	10.5
119.08593	10.4
121.10159	9.8
129.07025	7.6
131.08533	11.9
133.10062	10.9
141.47119	6.0
147.11708	13.5
149.09628	5.4
175.11192	11.9
193.12228	37.0
211.13254	57.1
231.17276	5.1
267.15872	21.0
285.16943	59.2
309.37683	5.6
313.27356	100.0
405.14172	5.5
505.38834	7.3
518.69983	5.9
523.39893	80.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3627
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.7
55.01865	11.5
55.05511	44.0
57.03426	6.8
57.07062	2.6
62.88710	1.9
67.05502	46.9
69.03425	3.6
69.07068	18.7
70.55598	4.4
70.55935	2.6
71.04972	5.3
71.07360	4.4
79.05489	43.4
81.03410	13.1
81.07053	46.7
83.04964	9.9
83.08607	24.7
85.06504	3.3
86.09692	16.3
91.05482	44.7
93.07041	35.7
95.04961	13.8
95.08594	23.8
97.06520	7.4
97.10164	26.0
105.07024	41.8
107.04967	5.5
107.08597	25.8
109.06500	5.0
109.10165	13.6
111.04504	2.6
111.08079	4.3
113.09566	2.1
115.05399	3.7
117.06998	27.9
119.08578	27.5
121.06506	4.7
121.10144	8.5
123.08045	5.0
125.09625	22.0
128.06212	5.0
129.06995	14.0
131.08563	34.4
133.06485	2.2
133.10120	22.4
135.08029	6.2
135.11720	12.4
137.09604	3.5
141.06998	6.1
143.08546	19.4
145.06500	3.9
145.10114	31.2
147.08066	4.2
147.11673	17.7
149.09613	3.8
149.13263	4.4
151.30991	2.5
153.12794	2.8
155.08548	7.2
157.10127	16.4
159.11725	19.7
161.09714	5.0
161.13214	7.6
162.95593	13.7
163.11201	9.1
167.08435	3.4
169.10117	9.0
171.11673	15.0
173.09654	3.2
173.13145	11.5
175.11215	2.4
175.14809	5.2
179.08569	2.4
181.10168	5.6
181.12320	2.4
183.11708	10.6
184.07225	2.8
185.13283	8.7
187.11263	2.7
187.14806	4.8
189.11259	12.9
193.10229	2.5
193.12178	5.9
197.13234	5.4
199.14827	5.5
201.12701	4.0
207.11725	3.6
209.11615	3.9
209.13408	2.6
211.14810	3.4
213.16479	2.6
223.14870	3.1
227.12727	24.8
241.19476	4.9
257.18845	3.4
259.20584	13.8
269.22592	3.7
270.58115	2.4
271.20602	3.0
275.20151	6.8
277.21591	4.1
279.21289	3.1
283.15402	14.1
287.23868	3.8
295.20773	3.6
297.19089	3.2
297.22021	14.0
313.21719	2.8
315.23148	15.4
333.24216	6.5
421.31061	3.5
431.29245	5.5
449.30643	14.9
466.88028	2.4
467.31473	13.6
485.32843	14.7
500.22739	13.9
513.35699	7.3
523.34259	10.9
541.35211	100.0
542.35486	3.1
559.36603	54.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93064	4.6
55.86064	4.8
64.04144	4.7
68.84363	4.8
69.03419	9.8
70.82104	11.3
70.82449	6.2
79.05499	6.9
80.92691	5.5
81.03417	6.3
85.02882	11.1
91.05460	15.2
98.21422	6.1
103.05485	5.3
105.07027	14.3
107.04954	20.9
119.04992	5.3
127.03877	6.7
131.04947	9.3
133.02864	9.7
133.06496	11.4
137.05971	82.5
147.04393	13.2
149.05952	14.9
151.07541	30.9
161.05978	57.8
161.09610	16.6
162.06664	6.5
163.07552	47.6
165.05408	7.7
175.07574	10.9
179.07057	20.6
181.08629	18.2
189.09123	31.2
191.07047	9.3
207.10156	100.0
227.10735	5.4
273.11197	10.2
287.12775	7.4
291.12119	8.2
299.12866	6.7
313.14392	9.8
331.15439	42.3
343.15671	9.2
348.03497	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	558.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53095	5.0
55.01856	4.2
55.12903	4.6
59.61121	4.1
70.48223	5.3
70.48573	14.1
70.69850	4.8
72.57402	4.2
79.05486	5.7
81.03416	5.6
85.02899	5.0
91.05482	21.6
99.74593	4.5
99.96198	4.8
103.05470	12.9
105.07089	6.4
107.04934	20.1
112.26875	4.3
115.05467	5.5
119.04901	15.3
121.06452	9.3
127.03938	6.6
131.04941	18.3
133.06470	8.7
135.08109	8.1
137.05989	73.7
147.04422	16.2
148.05215	5.5
149.05978	13.1
151.07535	38.1
161.05960	72.7
161.09610	19.4
162.06734	10.9
163.07539	47.0
164.02293	4.0
165.03107	4.3
181.08624	14.0
189.09122	44.8
195.08122	7.6
203.38193	4.9
207.10156	100.0
219.10170	7.1
220.22466	5.1
221.05803	5.0
221.09428	5.1
227.10657	5.2
253.12280	6.3
255.10112	6.4
285.11160	8.3
287.12793	39.5
311.12842	6.5
313.14258	31.5
331.15399	85.1
343.15369	10.1
428.74524	5.0
538.70020	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	558.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
66.77713	3.2
68.97759	2.9
69.54588	21.3
70.12733	3.4
71.32672	2.9
74.80149	3.2
79.05492	3.9
90.56474	2.8
91.05469	19.1
95.04962	3.1
97.99380	3.1
103.05481	16.0
105.07026	10.0
107.04949	27.9
109.37476	3.1
117.45598	3.2
119.04916	21.0
121.06499	6.8
129.06995	10.2
131.04907	16.7
131.08598	3.3
133.06453	4.5
135.08035	8.3
137.05983	90.7
146.07216	4.2
147.04422	13.9
149.05946	8.1
151.07555	59.2
157.06474	8.1
161.05974	93.1
161.09601	20.2
162.06764	9.2
163.07553	50.3
174.06798	7.1
175.07578	13.6
177.09135	3.6
179.07069	3.8
181.08594	10.7
189.09116	61.5
195.08020	8.7
207.10156	100.0
211.25914	2.9
219.10193	5.7
223.07494	3.6
227.10654	13.6
249.09102	3.1
253.08658	4.6
253.12172	9.8
255.10156	9.0
285.11319	7.0
287.12781	41.3
297.11267	6.1
299.12790	3.9
311.12842	10.5
313.14337	36.3
331.15399	68.7
343.15338	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.7
55.01869	10.8
55.05510	50.2
57.07072	11.6
67.05502	70.8
69.03419	4.6
69.07061	27.5
69.37832	17.4
69.38261	17.2
69.44926	3.6
71.08629	5.1
79.05489	45.4
81.03394	9.5
81.07056	61.1
83.04974	12.9
83.08609	50.4
83.30952	3.5
91.05476	39.8
93.07039	41.0
95.04958	36.7
95.08604	45.9
97.06535	7.2
97.10167	11.7
98.21152	17.4
105.07031	34.4
107.04958	22.1
107.08596	27.8
109.06519	10.6
109.10146	34.2
111.08096	12.2
117.07029	16.9
119.08568	36.4
121.06483	10.5
121.10141	23.8
123.08108	9.5
125.09606	6.9
128.23936	4.0
129.07024	6.2
131.08560	30.1
133.10129	30.9
135.08083	11.6
135.11713	12.3
137.09682	6.0
143.08568	8.1
145.10143	31.7
147.11691	16.4
149.09634	30.4
150.42392	4.1
151.11197	7.3
153.09024	4.1
155.08594	5.0
157.10088	4.2
159.11713	17.1
163.11191	49.9
165.12749	8.1
173.09651	6.1
173.13214	7.3
177.12779	8.1
179.10628	6.9
183.11774	6.2
187.11205	9.1
187.14857	6.3
191.10652	7.0
201.12732	4.1
201.16415	8.5
215.17935	4.2
219.17464	12.6
223.13335	17.7
229.15918	8.0
229.19440	6.3
239.18021	12.1
239.23755	5.6
247.17004	31.7
257.19000	16.0
265.18005	64.3
275.20044	100.0
293.21106	74.9
467.37396	33.0
477.93994	4.6
557.39136	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	557.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	2.7
52.66191	1.9
53.03943	6.7
55.01855	2.3
55.05511	22.0
57.03426	6.8
57.07059	6.3
57.42360	1.9
59.10094	2.0
62.48476	2.2
65.03935	2.9
67.05499	40.4
69.07067	16.9
69.56176	6.3
69.56600	10.2
71.04984	2.7
79.05494	40.3
81.03405	5.0
81.07056	43.0
83.04984	4.0
83.08624	10.9
85.06523	3.3
91.05478	36.0
93.07040	32.8
95.04965	9.1
95.08606	25.1
97.06518	5.3
97.10150	6.1
105.07031	34.7
107.04922	4.5
107.08588	17.7
109.10151	9.2
111.08121	3.3
117.07011	14.8
119.08569	28.7
121.06472	3.7
121.10165	10.2
123.11676	3.3
125.09706	2.1
128.06189	2.7
129.06984	17.7
131.08560	29.8
133.10141	12.3
135.08028	4.2
135.11676	8.8
141.07030	11.0
142.07755	7.7
143.08560	23.1
145.10115	28.3
147.11687	17.6
149.13237	4.5
155.08572	17.1
156.09296	2.8
157.10133	16.3
159.11693	21.4
161.09633	3.2
161.13280	14.3
167.08557	8.4
169.10103	16.6
171.11679	19.1
173.13318	11.1
175.14828	4.8
179.08583	3.2
181.10124	9.5
183.11699	16.8
185.13231	13.0
187.11113	4.6
187.14883	4.6
189.12770	3.1
193.10092	3.4
195.11586	11.4
197.13205	13.4
199.14867	8.5
201.16420	2.3
205.12108	3.2
207.11768	4.3
207.13670	3.4
209.13353	10.9
211.14821	7.6
213.16368	8.9
219.11719	2.5
221.13217	4.6
223.14836	7.8
225.16417	5.9
237.16348	6.2
239.17892	3.0
241.19583	8.7
247.16731	3.6
249.37843	2.6
259.20618	13.2
281.17505	9.5
297.21976	3.0
299.23529	2.7
333.24280	5.4
335.23914	2.8
339.23001	3.5
341.24774	2.5
349.25424	2.7
367.26178	2.9
419.33243	3.1
429.31812	5.9
437.34073	9.7
447.32590	23.1
465.33722	31.4
483.34671	21.3
501.35583	4.2
503.34555	2.6
521.36182	10.3
527.37531	3.5
529.38824	6.9
539.37299	100.0
540.37494	3.9
557.20325	3.9
557.38385	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	557.3473
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98424	2.9
53.03939	8.0
55.01872	23.3
55.05514	43.1
57.03417	5.2
57.07071	3.7
65.03955	4.1
67.05508	69.5
67.37872	3.4
69.03419	4.1
69.07063	46.3
71.04966	5.8
71.51893	4.2
74.38463	3.1
79.05493	66.4
81.03421	21.1
81.07053	75.1
83.01318	4.7
83.04999	21.1
83.08617	19.2
91.05476	66.1
93.07047	61.2
95.01322	13.9
95.04964	18.0
95.08601	41.0
97.06525	25.4
97.10162	5.6
99.04446	3.9
105.07030	89.5
107.04951	31.5
107.08596	35.3
109.06517	13.3
109.10165	13.5
111.04465	3.5
111.08102	6.9
115.05426	4.8
117.07004	26.8
119.08581	48.8
121.06481	7.7
121.10126	16.6
123.08054	11.9
123.11703	3.8
129.06961	6.8
131.08556	37.6
133.10114	40.5
135.08046	4.7
135.11713	16.8
137.09669	4.8
143.08566	8.1
145.06461	3.8
145.10132	37.1
147.08034	4.5
147.11717	23.1
149.09572	9.4
149.13187	6.6
155.08618	4.8
157.10153	8.1
159.11665	15.2
161.13229	7.4
163.11162	17.1
169.10110	6.5
171.11687	6.7
173.13176	5.8
177.12776	3.9
179.14317	23.8
183.11723	4.0
197.13263	4.5
209.11688	5.4
219.39375	3.9
227.12741	4.8
257.19058	10.4
275.20062	100.0
291.19638	5.5
293.21182	4.0
539.33728	4.8
557.34680	80.4
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
50.46625	1.6
53.03931	4.0
55.01872	3.6
55.05511	18.3
57.03427	5.7
57.07067	2.2
65.03949	2.1
66.61921	1.7
67.05502	35.1
67.09653	1.6
68.05836	1.9
68.93861	1.8
69.07071	15.3
70.56926	5.1
71.04967	2.4
71.08626	2.1
78.67635	1.9
79.05079	2.5
79.05495	30.8
81.03425	3.7
81.07054	42.3
83.04955	3.6
83.08604	7.2
85.06532	2.0
91.05471	28.7
93.07047	31.8
95.04956	7.5
95.08598	27.4
95.83063	1.8
97.06528	6.8
97.10161	5.3
105.07022	29.4
107.04957	3.0
107.08589	15.3
109.06531	2.7
109.10148	9.4
111.08062	2.9
117.07011	14.3
119.08576	26.9
121.06503	2.0
121.10159	9.3
123.08060	4.6
123.11629	2.3
123.35410	2.6
125.09656	2.2
129.06976	16.2
131.08577	30.1
133.06436	2.1
133.10124	14.5
135.08075	2.9
135.11685	7.0
141.06984	6.3
142.07753	3.3
143.08563	25.4
145.06442	2.8
145.10103	23.5
147.07985	2.6
147.11678	14.5
149.09586	2.4
149.13292	4.2
151.11174	1.8
155.08549	16.5
156.09337	2.1
157.10129	17.7
159.08044	4.2
159.11697	16.5
161.09686	2.1
161.13205	11.2
163.11156	3.5
167.08557	8.5
168.09392	2.9
169.10115	19.0
171.11684	17.4
173.13229	7.8
175.92242	1.9
179.08502	3.4
181.10126	8.1
183.11691	12.8
185.09715	2.2
185.13268	10.3
187.11269	2.6
187.14809	4.6
189.12819	3.0
193.10106	2.4
195.11647	10.0
197.13234	12.9
199.14836	8.7
201.16454	2.6
207.11755	3.3
207.13766	5.4
209.13235	8.1
211.14854	6.1
211.74863	1.7
213.16405	7.4
219.17209	2.0
221.13231	3.3
223.14783	4.6
224.43114	2.1
225.16412	2.6
233.13133	1.9
233.88454	2.0
235.14717	2.2
237.16423	4.5
241.19498	5.4
247.17068	2.1
259.20596	8.3
265.19730	2.0
275.19968	5.5
279.16040	2.6
281.17493	7.1
285.21863	2.1
297.18854	2.3
313.21588	2.5
321.22083	2.6
327.23157	3.2
333.24353	4.4
337.53625	2.1
349.25244	1.8
365.24765	2.5
419.33054	3.4
429.31528	4.0
437.34433	11.0
447.32645	26.5
455.35229	2.0
465.33591	25.7
483.34674	16.7
493.36975	2.7
501.35645	2.4
521.36005	10.2
527.37158	2.4
529.38818	9.3
539.37274	100.0
540.37567	5.6
557.38397	49.8
557.52832	5.2
574.58063	2.3
584.70551	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	557.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	1.2
53.03939	1.7
55.01873	20.1
65.03938	3.1
67.05508	1.8
69.03434	1.3
69.07079	1.1
79.05482	4.5
81.03408	3.8
81.07057	1.9
83.04971	2.4
85.02912	1.0
91.05475	7.4
93.03418	2.2
93.07042	3.0
94.04183	2.8
95.04958	7.2
97.02879	1.7
97.06521	1.8
103.05457	14.6
105.07021	7.4
107.04951	8.4
107.08618	0.8
109.02861	1.6
109.06472	1.3
111.04446	6.8
111.07965	0.9
115.05476	3.2
117.07029	7.0
119.04955	2.1
121.02862	0.9
121.06519	5.8
122.03636	6.1
123.04414	8.1
125.06007	3.6
127.03910	1.3
129.06976	2.3
131.04926	31.6
131.08542	1.6
133.02856	1.5
133.06494	9.7
135.04413	2.9
135.08093	2.9
137.05977	100.0
145.06453	5.9
147.04388	2.8
149.05986	3.8
151.03894	17.7
151.07526	4.3
153.05496	5.3
153.06793	0.8
157.06554	1.3
161.05960	9.4
161.09624	3.0
163.03902	3.7
163.07541	21.4
163.08835	1.7
165.05490	3.1
165.06915	1.4
165.09090	7.3
167.07080	2.6
167.08453	1.4
169.06485	1.1
173.06006	4.1
174.06787	1.0
175.04492	0.9
175.07590	5.5
177.05498	7.2
177.09093	2.4
178.06294	2.3
179.07022	2.1
179.08534	1.1
181.05016	1.7
181.06456	1.6
181.08614	2.6
182.07268	1.5
183.08110	1.0
187.07574	2.7
189.05453	1.2
189.09071	6.6
191.06996	2.3
193.06454	1.7
195.06519	17.2
195.08098	1.3
197.05879	1.4
199.07478	1.4
201.09081	2.4
203.06999	1.4
203.10754	0.9
205.08607	3.0
207.08298	1.5
207.10197	3.7
210.06686	0.9
211.07605	1.2
213.09129	2.4
215.07053	1.0
217.08540	1.8
219.10202	3.1
221.06007	2.1
223.07634	1.4
223.09625	1.7
224.08498	0.8
225.09122	2.8
227.07037	1.7
227.10580	1.5
229.08594	1.8
239.07034	1.1
241.08548	2.4
243.10223	2.7
253.08565	3.0
255.10147	1.9
259.09628	2.1
265.08704	1.2
271.09622	3.8
273.11237	2.4
283.09607	1.0
285.11307	4.0
295.09735	1.5
297.11169	1.3
309.11063	1.4
313.10822	1.0
327.12354	1.4
343.11545	1.2
345.13290	2.7
359.14856	1.1
525.21143	1.5
535.95776	0.8
546.39056	0.9
557.21869	1.6
579.64941	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1202
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18311	1.4
57.03460	1.6
69.03424	6.0
70.03747	1.4
71.03203	2.9
71.03541	3.4
73.02926	3.6
77.00916	2.0
81.03428	1.9
82.99856	3.6
85.02914	12.3
97.02898	4.5
101.00891	19.6
109.02879	2.5
113.00869	4.7
117.03973	2.1
119.01073	2.9
119.01922	50.6
127.02440	4.5
127.03923	6.4
129.03987	2.4
131.01909	24.9
133.03436	3.6
135.05011	2.8
137.02980	6.5
139.02480	1.6
141.03990	2.8
142.03505	1.7
143.01894	34.1
145.03473	48.5
145.04768	3.1
147.01396	2.7
147.05125	2.6
149.02931	3.9
155.01891	23.6
157.03474	16.5
158.99640	1.9
159.04993	13.6
161.02963	46.7
163.04587	11.2
163.05780	2.2
167.01901	10.4
167.07068	2.3
169.03470	31.3
171.05051	10.0
173.02968	46.1
175.04535	4.7
177.02481	5.2
179.01886	3.8
181.03510	4.9
183.05008	2.9
184.04654	3.0
185.02962	74.6
187.04527	57.5
189.02475	10.1
189.06111	3.1
191.03972	3.3
195.01558	1.9
196.04706	1.8
197.02960	27.0
199.04486	12.1
200.04536	2.0
201.02493	6.4
203.04015	55.7
207.03334	1.7
208.44221	1.5
209.03006	2.8
211.04530	6.6
213.02461	14.7
215.04007	24.9
219.03531	5.1
221.03081	3.2
221.05077	7.9
223.04507	3.5
225.02454	3.8
227.04039	11.9
229.05629	3.4
231.03510	21.0
233.01460	1.7
233.05000	3.4
237.02600	1.7
239.04074	4.2
243.03543	6.2
245.05081	100.0
246.05295	3.0
255.03555	1.6
257.01410	7.0
257.05060	6.5
258.83270	1.5
263.06168	13.8
269.01376	1.6
269.05014	2.0
271.06595	11.9
272.06656	2.6
273.04504	1.7
273.08087	1.7
275.02505	57.3
275.06128	35.4
275.08911	3.2
281.04031	1.5
281.07104	6.5
281.57187	1.6
286.07700	2.8
287.02496	18.6
287.06107	5.8
293.03561	19.8
293.07251	9.1
305.03543	15.4
305.07181	16.4
305.10101	2.3
315.05679	4.9
317.03583	2.8
323.04584	3.1
327.09293	2.8
333.06613	3.3
335.04587	19.5
335.08255	5.5
341.03510	10.0
359.04556	29.2
359.08560	2.8
365.09418	8.7
377.05618	53.8
378.06073	2.3
395.06720	70.0
521.09821	2.1
539.10938	11.5
557.11798	25.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03416	2.5
70.34639	6.4
82.99851	2.4
85.02897	3.1
94.99863	2.7
97.02855	2.5
101.00870	16.9
109.02846	2.6
113.00873	4.0
115.02441	2.7
117.03947	1.5
119.01913	48.7
122.90640	1.3
127.02437	3.7
131.01901	18.5
133.03424	2.5
137.00812	1.4
137.02939	6.7
139.02403	2.7
143.01881	23.7
145.03450	33.8
147.01312	1.6
147.04948	1.9
149.02919	4.3
155.01869	20.1
157.03474	16.4
159.05025	10.6
161.02953	44.1
163.04477	8.5
167.01866	8.9
169.03465	20.5
171.01317	2.3
171.05103	7.6
173.02950	39.9
173.04364	3.0
175.00883	2.3
175.04585	3.2
177.02466	3.8
177.06049	1.7
179.01852	2.5
179.04083	1.7
181.03517	2.1
185.02942	75.4
186.03189	2.1
187.04507	37.5
188.04883	2.0
189.02443	5.7
191.03937	3.9
196.04637	2.3
197.02946	25.3
199.04565	8.4
201.02441	5.4
203.04004	59.7
209.02925	4.0
210.06088	2.1
211.04445	5.4
213.02432	11.3
215.00468	1.7
215.03998	25.8
219.03497	8.5
221.03006	2.7
221.05011	10.2
225.02420	4.1
226.05522	3.2
227.04010	12.1
231.03481	17.8
233.01448	3.2
233.05096	5.3
239.03951	6.0
241.05447	1.7
243.03534	4.2
245.05072	100.0
246.05214	2.9
257.01428	5.0
257.05005	5.7
263.06143	12.7
271.06616	5.7
273.04523	2.5
275.02463	45.7
275.06097	35.7
281.07178	1.8
287.02505	11.4
287.06070	9.5
290.20212	1.6
293.03531	15.2
293.07162	7.7
303.05530	2.6
305.03503	11.8
305.07159	12.2
315.05493	3.1
333.06644	2.9
335.04510	17.8
335.08243	6.2
341.03516	6.9
359.04556	24.3
365.09335	9.1
377.05606	48.7
378.05756	2.3
395.06671	49.7
396.06860	2.7
400.07248	1.8
539.10956	10.4
557.11816	22.8
560.31622	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.239
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02408	0.9
51.10560	0.8
53.03938	1.5
55.01854	1.7
55.91160	0.9
57.03434	2.1
61.02920	1.9
69.03416	3.9
69.69792	3.0
69.70197	2.4
70.06583	1.3
79.05482	1.5
81.03415	3.6
81.07059	1.8
85.02903	14.6
86.09699	1.1
87.50928	1.0
89.93213	0.9
91.05480	12.5
93.03378	1.1
93.07024	1.8
95.04957	2.9
95.08596	1.5
97.02872	3.6
98.21467	1.9
102.04636	1.6
103.05463	17.4
105.06994	6.3
107.04951	7.4
107.08598	1.0
108.05766	1.2
109.02879	1.9
109.06513	3.1
111.04382	1.3
115.05479	1.0
115.47312	1.0
117.06980	1.1
119.04937	12.9
120.97237	0.9
121.06499	3.7
123.04452	1.0
123.08062	3.9
125.05941	1.2
127.03915	1.9
130.04147	3.7
131.04926	59.4
133.02850	4.4
133.06488	6.6
134.81660	0.9
135.04445	1.4
135.08058	1.8
136.05156	1.8
137.05980	15.0
138.06789	1.5
145.04971	2.2
145.06503	1.4
146.03595	1.1
147.04396	14.4
149.05991	11.5
150.06778	2.5
151.07549	19.4
153.05449	8.0
161.05989	11.8
161.09679	1.5
162.06761	13.5
163.07541	100.0
165.05463	6.2
167.07054	3.5
169.08559	1.7
175.07553	1.1
177.05464	8.6
179.07040	27.7
179.08588	2.2
181.08601	11.5
189.05455	0.9
189.09177	2.3
191.06987	2.3
193.08601	5.4
197.08096	23.0
197.09822	1.5
205.08585	2.2
207.10143	3.2
209.07997	2.0
221.09615	1.3
223.09651	5.5
235.07463	1.0
235.09708	2.2
249.09253	1.3
272.27335	1.1
291.31134	0.9
309.11276	1.7
327.12283	34.0
341.13681	1.2
347.14917	3.8
355.15286	1.2
359.14871	26.0
377.15952	13.8
389.15695	1.0
550.27496	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.4209
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	9.6
57.03429	6.7
57.07077	22.1
62.68483	4.1
65.96442	4.4
67.05493	12.3
69.07092	7.9
70.97264	10.0
71.08631	16.6
75.82589	3.9
79.05499	11.9
81.07055	15.7
83.08617	10.4
85.10169	13.5
89.06050	7.1
91.05497	9.3
93.07030	18.3
95.08606	28.2
97.02912	4.5
97.10182	4.2
103.07517	5.0
105.07034	5.7
107.04957	7.6
107.08596	13.4
109.10177	5.1
119.08627	7.5
121.10168	9.0
133.08670	7.1
135.11699	33.8
139.26750	4.7
145.10168	15.6
163.11201	38.2
181.12245	6.6
184.52522	4.3
201.45479	4.2
214.91699	5.3
217.99524	4.5
227.12759	63.0
230.78696	3.9
283.15427	64.2
283.26236	9.9
313.27371	100.0
445.61313	5.8
521.38397	75.5
529.68115	4.6
556.52582	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	0.4
58.12260	0.3
59.99717	0.4
69.03432	0.4
70.17455	0.3
70.96314	0.8
72.08150	0.4
79.05491	0.8
85.02898	1.0
91.05477	0.7
93.07051	1.4
95.04961	0.7
97.02888	0.5
98.97601	0.4
103.05472	6.2
107.04968	1.9
120.08106	100.0
121.06476	0.4
121.08424	0.9
126.69846	0.4
131.04935	2.7
135.04445	0.4
136.07561	1.2
137.05971	0.5
138.27951	0.4
147.04320	0.4
149.06004	2.9
163.03926	1.3
166.08643	55.5
167.07039	2.7
167.09004	0.6
181.08615	1.3
182.08151	0.7
193.86203	0.4
211.09618	3.3
219.01785	0.5
237.02872	0.5
401.92752	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.4
54.73114	1.3
55.01855	3.9
57.03438	2.4
62.27163	1.3
62.69555	1.4
65.03942	2.4
65.13424	1.3
65.83466	1.2
67.05481	1.6
68.65733	1.4
69.03416	3.8
70.02292	2.6
70.02690	3.7
70.06611	1.8
77.03943	2.0
79.05483	5.2
81.03434	2.3
85.02906	9.2
91.05478	33.1
93.07037	2.5
94.04163	2.1
95.04958	3.8
97.02887	3.4
103.05463	43.0
105.03380	9.8
105.07030	23.5
107.04956	5.3
108.05672	1.7
108.08087	1.4
109.06523	8.4
115.05436	4.1
118.04128	1.6
119.04935	50.4
121.06488	3.6
122.03664	4.3
123.08019	2.2
127.03868	1.6
128.06197	2.1
129.06984	5.3
130.04095	1.7
131.04921	100.0
133.02834	5.9
133.06474	22.5
135.04390	1.5
137.05971	89.3
143.06097	1.7
145.06479	3.2
147.04398	18.5
147.08099	1.4
149.05969	6.0
151.03883	2.3
151.07524	21.6
153.05426	1.9
155.67543	1.5
157.06509	2.1
159.08089	3.0
160.05222	1.9
160.29819	1.5
161.05977	73.1
162.06709	7.8
163.03891	1.5
163.07541	54.4
165.05473	9.4
172.05199	2.6
175.07541	19.5
179.07036	22.8
187.07544	15.8
189.09088	3.8
191.08549	3.0
193.08580	5.8
203.08598	1.7
205.08572	11.7
217.08604	3.9
219.08035	3.4
231.08063	3.2
235.09596	4.8
247.07390	1.8
248.08554	1.6
251.10748	1.7
258.83069	1.6
259.07782	1.6
279.10007	7.0
291.10080	5.7
296.10260	2.1
309.11273	9.4
311.12741	12.3
323.12662	5.5
329.13800	5.7
341.13870	9.7
359.14877	1.6
362.12231	2.6
394.18579	2.1
407.02585	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04931	0.7
67.53341	0.8
69.03414	2.6
69.57304	2.4
69.57719	3.5
70.06568	2.1
71.04993	0.7
79.05500	1.3
80.57952	1.0
81.03410	1.6
81.07034	1.0
83.04996	1.7
84.89159	0.9
85.02908	5.2
91.05463	1.7
93.03399	0.8
93.07078	0.9
94.04195	2.3
95.04969	2.3
97.02895	1.9
103.05476	5.6
105.07077	1.3
107.04971	2.6
109.02874	1.6
109.06492	2.0
111.04424	1.7
115.05444	3.2
116.29751	0.7
117.06977	0.9
119.04941	1.3
121.06485	1.0
122.03656	5.5
125.05975	3.4
127.03884	1.7
128.06230	3.7
129.06055	1.0
129.07011	15.6
131.04031	1.5
131.04932	16.2
131.08653	1.1
133.02838	0.8
137.05978	100.0
138.06384	1.0
143.04910	3.0
144.05661	1.0
145.04962	1.7
145.06531	1.6
146.03572	1.1
147.04379	1.7
147.08095	0.8
149.06027	1.9
151.03931	2.6
151.07597	1.4
153.05450	7.5
157.06488	16.9
160.05194	5.5
161.05988	6.0
161.09619	0.8
162.06728	1.1
163.07558	11.1
165.05534	1.8
167.07077	0.8
172.05223	3.8
174.06721	6.9
175.07547	34.3
176.07973	0.9
177.09010	1.0
179.06964	2.0
180.08774	0.9
185.05989	1.6
187.07535	37.4
188.08115	1.2
189.09093	32.0
191.08580	1.0
203.08540	3.0
205.08578	4.4
207.10143	3.3
209.15372	1.9
211.07556	1.3
217.08595	9.0
219.08049	3.9
219.10149	1.7
231.08008	3.3
235.09560	1.6
239.06915	1.3
247.07475	3.7
248.08246	2.7
251.10698	2.5
255.06465	1.6
259.07623	2.2
261.08890	1.2
263.07245	0.8
263.10608	3.9
264.07794	1.6
268.07373	0.9
270.08719	4.3
271.09631	3.4
276.07596	1.8
277.08646	1.6
279.10117	6.9
281.08160	1.7
283.09708	2.8
291.10123	11.3
292.10739	0.9
296.10403	2.2
305.85596	0.8
309.11002	1.0
311.12793	19.2
323.12772	18.8
323.16364	1.7
329.13730	3.1
341.10437	1.6
341.13843	27.8
359.14841	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1113
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	13.3
69.03428	7.9
69.93116	18.2
69.93532	12.8
71.79258	5.5
72.26945	5.0
84.97594	5.1
85.02917	15.3
91.03957	6.8
97.02879	7.5
98.21476	7.5
98.97597	23.4
110.97607	6.5
114.02277	5.1
116.98667	9.8
128.98616	9.0
149.78668	6.4
161.01239	8.7
163.03940	38.2
164.04289	5.6
185.03017	6.4
201.00653	8.0
205.00116	6.0
211.02852	5.3
212.85146	10.3
216.02905	5.5
218.99664	14.3
219.01724	12.1
237.00710	71.7
237.02896	21.0
245.04991	10.8
255.01831	21.4
261.03201	8.0
363.03912	22.4
381.04950	25.6
393.05017	7.5
411.05960	11.1
440.06662	5.6
555.10785	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	4.3
57.88643	1.2
59.85426	1.2
69.03392	1.7
71.01342	3.5
71.50080	2.3
79.05482	3.1
80.40312	1.4
81.03388	2.6
81.07050	27.7
83.04979	3.9
83.65523	1.4
85.02888	6.3
91.05476	4.5
93.07033	4.1
95.04929	1.7
95.08585	5.5
97.02895	6.1
103.05449	2.0
105.07032	11.3
107.04981	2.7
107.08601	2.1
109.02863	1.6
109.06507	58.3
121.06508	1.5
123.08039	9.1
127.03899	2.6
133.06479	14.2
137.05971	21.7
145.04927	3.1
149.05888	1.8
151.07532	41.6
161.05936	11.3
179.07016	89.6
197.06259	2.5
197.08066	42.1
215.09134	100.0
233.10237	3.4
341.12375	6.6
359.13412	3.6
367.32864	1.5
556.13324	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	556.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04931	0.7
67.53341	0.8
69.03414	2.6
69.57304	2.4
69.57719	3.5
70.06568	2.1
71.04993	0.7
79.05500	1.3
80.57952	1.0
81.03410	1.6
81.07034	1.0
83.04996	1.7
84.89159	0.9
85.02908	5.2
91.05463	1.7
93.03399	0.8
93.07078	0.9
94.04195	2.3
95.04969	2.3
97.02895	1.9
103.05476	5.6
105.07077	1.3
107.04971	2.6
109.02874	1.6
109.06492	2.0
111.04424	1.7
115.05444	3.2
116.29751	0.7
117.06977	0.9
119.04941	1.3
121.06485	1.0
122.03656	5.5
125.05975	3.4
127.03884	1.7
128.06230	3.7
129.06055	1.0
129.07011	15.6
131.04031	1.5
131.04932	16.2
131.08653	1.1
133.02838	0.8
137.05978	100.0
138.06384	1.0
143.04910	3.0
144.05661	1.0
145.04962	1.7
145.06531	1.6
146.03572	1.1
147.04379	1.7
147.08095	0.8
149.06027	1.9
151.03931	2.6
151.07597	1.4
153.05450	7.5
157.06488	16.9
160.05194	5.5
161.05988	6.0
161.09619	0.8
162.06728	1.1
163.07558	11.1
165.05534	1.8
167.07077	0.8
172.05223	3.8
174.06721	6.9
175.07547	34.3
176.07973	0.9
177.09010	1.0
179.06964	2.0
180.08774	0.9
185.05989	1.6
187.07535	37.4
188.08115	1.2
189.09093	32.0
191.08580	1.0
203.08540	3.0
205.08578	4.4
207.10143	3.3
209.15372	1.9
211.07556	1.3
217.08595	9.0
219.08049	3.9
219.10149	1.7
231.08008	3.3
235.09560	1.6
239.06915	1.3
247.07475	3.7
248.08246	2.7
251.10698	2.5
255.06465	1.6
259.07623	2.2
261.08890	1.2
263.07245	0.8
263.10608	3.9
264.07794	1.6
268.07373	0.9
270.08719	4.3
271.09631	3.4
276.07596	1.8
277.08646	1.6
279.10117	6.9
281.08160	1.7
283.09708	2.8
291.10123	11.3
292.10739	0.9
296.10403	2.2
305.85596	0.8
309.11002	1.0
311.12793	19.2
323.12772	18.8
323.16364	1.7
329.13730	3.1
341.10437	1.6
341.13843	27.8
359.14841	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36028	1.1
51.66060	1.2
53.03944	1.3
60.08154	2.9
60.72429	1.0
68.05034	6.7
69.03429	3.1
69.74723	6.5
73.02909	1.0
79.05472	1.1
84.51566	1.0
85.02903	3.0
91.05480	1.3
95.05015	19.0
95.06090	98.3
97.02900	8.0
103.05449	1.1
107.04954	7.6
109.02877	1.9
121.06502	2.6
123.04465	2.5
123.05555	1.9
124.05099	1.0
125.02377	8.8
125.06013	1.3
125.11430	1.1
149.04980	1.1
149.05959	6.0
151.03915	20.6
154.13397	1.8
154.30832	1.3
177.05469	3.2
182.12883	14.3
191.08215	2.7
195.06543	6.6
213.07683	1.4
219.07645	11.7
250.15503	7.0
278.14999	77.7
279.15280	1.9
340.23401	1.0
348.19171	5.9
510.24490	100.0
511.24722	2.7
554.15601	1.3
554.23560	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	554.3682
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22358	1.8
55.01863	5.6
55.05511	22.9
57.03426	3.2
60.92040	1.9
67.05503	23.5
68.40004	2.1
69.03424	5.5
69.07059	7.6
71.51800	4.2
79.05492	26.6
81.03416	19.6
81.07053	52.1
83.04976	10.3
83.08611	15.9
91.05480	21.1
93.07030	18.3
95.04978	14.4
95.08595	7.3
97.06517	4.2
97.10162	19.2
105.07019	12.9
105.63460	2.3
107.04948	9.2
107.08614	15.2
109.06507	7.0
109.10139	6.9
111.04405	7.9
111.08074	6.3
117.06993	9.6
119.08589	18.1
121.06522	6.6
121.10122	8.9
123.08051	8.2
125.09619	12.3
129.06995	7.8
131.08514	10.3
133.10147	7.3
135.08018	4.2
135.11688	4.8
137.09544	2.7
139.11093	2.6
143.08528	5.3
145.10060	10.5
147.08051	10.4
147.11650	5.1
149.09584	6.0
153.09056	6.1
153.12770	3.8
155.08504	2.9
157.10088	8.1
159.11624	3.2
161.09605	7.7
163.11176	9.0
165.09140	3.9
173.09570	2.7
175.11140	5.2
181.12225	3.8
189.11247	10.9
191.10657	4.9
193.10576	3.7
193.12202	18.4
209.11734	2.2
211.13258	27.1
222.02299	2.5
227.12843	3.3
245.19006	3.6
273.18527	24.9
285.53183	2.3
291.19531	100.0
309.20618	4.2
338.26727	2.5
465.30042	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	553.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.7
54.89766	2.7
69.03419	10.2
69.94797	14.4
70.38006	3.0
79.05485	7.6
81.03403	18.3
85.02890	8.5
91.05465	13.3
93.07005	2.7
95.04961	17.0
100.11333	3.1
103.05444	8.8
105.07039	8.8
107.04947	20.6
108.70988	2.7
115.05421	6.8
116.66859	3.1
117.07035	4.8
119.04929	9.3
119.43787	2.9
120.84176	3.0
121.06464	10.8
121.17690	2.8
122.03587	3.6
123.04410	5.0
127.03924	6.0
127.17325	2.7
129.07037	3.8
131.04929	14.3
133.06519	4.2
135.04375	5.2
135.08066	6.8
137.05972	69.0
144.05565	3.7
145.06508	5.0
147.04384	22.4
149.05931	8.8
151.03853	8.1
151.07538	20.5
159.08054	6.0
161.05946	11.0
163.07539	33.1
165.06978	2.8
167.07033	52.1
172.05072	3.4
175.07539	13.2
177.05441	7.6
177.09045	3.4
179.07033	23.2
181.08588	100.0
187.07521	7.1
191.07004	11.9
193.08615	11.3
195.10179	16.4
201.09024	3.5
205.08606	8.0
207.10088	22.3
209.11784	3.8
211.09631	8.4
213.09300	4.8
213.11157	30.6
219.10226	3.0
221.07985	3.8
223.09593	9.7
225.09273	3.2
225.11212	14.9
229.08694	3.9
231.10199	4.0
233.08051	4.5
237.11264	5.0
245.08142	3.6
252.97195	2.9
287.93661	3.4
303.12265	5.2
305.13644	3.8
321.13318	8.9
418.98615	3.4
453.34055	10.3
583.65814	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.0
53.03935	6.6
53.89783	0.8
55.01863	1.9
55.05510	1.6
57.03430	3.8
61.02912	4.4
67.05487	3.3
67.94741	1.2
69.03432	16.9
71.04990	2.4
71.30545	1.1
73.02911	3.5
73.08418	0.9
79.05479	12.6
80.05016	1.5
81.03422	13.3
81.07063	11.5
82.06572	1.3
83.04995	2.0
85.02902	28.4
87.04473	2.7
91.03961	1.8
91.05471	9.9
93.07038	4.7
95.04969	15.6
95.08586	5.1
97.02885	14.2
99.04460	2.8
103.05447	2.3
103.37509	1.0
105.07037	10.6
106.06538	3.3
107.04958	16.9
107.07345	2.5
107.08636	1.1
108.08115	11.8
109.02870	19.2
109.06517	19.9
110.06045	2.5
110.09681	3.8
111.04441	3.6
111.08067	14.5
113.06004	2.9
115.05444	2.2
117.07019	2.9
119.04936	22.4
120.08095	2.6
121.06507	13.2
123.04430	23.5
123.08080	4.1
124.03941	1.4
125.02345	1.2
126.05469	4.9
127.03911	9.3
129.66284	1.0
130.06459	1.0
131.04927	2.2
133.06470	8.1
135.04439	2.2
136.07549	5.3
137.05986	2.5
138.05487	1.6
140.07019	6.3
141.05457	88.2
145.04967	3.4
146.06003	4.1
147.04395	12.0
148.07559	35.9
149.06021	1.5
150.09129	2.9
151.03862	4.8
151.07500	6.1
153.05548	2.5
160.07610	1.5
161.06009	3.0
162.09102	1.8
165.05475	19.3
167.06982	5.3
174.09207	2.6
177.05487	1.8
178.08604	5.8
179.07068	8.9
182.08130	2.7
192.10196	4.1
193.08554	5.0
194.08151	4.3
195.06564	2.1
200.10712	1.2
208.09747	1.3
210.11189	6.1
211.09648	50.1
213.07622	3.0
216.10335	1.9
226.08755	1.2
244.09679	63.9
245.09869	1.1
246.11215	1.7
266.11627	1.5
268.13321	1.2
272.09634	1.6
272.12772	21.6
272.15707	1.3
274.10834	3.3
274.14407	4.3
286.14410	2.3
290.10199	14.1
296.12820	6.3
304.11890	9.9
314.13864	22.6
322.12851	1.6
342.13364	19.1
346.16406	3.1
356.15005	2.4
359.91867	1.1
360.14423	11.6
374.12042	0.9
374.15945	77.3
392.17020	100.0
393.17413	2.3
554.22284	48.3
573.13147	1.0
583.41425	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.7
55.01861	2.1
62.20659	1.4
65.03932	4.0
67.05493	1.4
70.82365	4.2
75.21786	1.3
78.04692	1.9
79.05489	8.8
81.03413	1.5
81.07047	1.5
81.22591	1.2
83.04975	1.7
85.02904	1.6
91.05478	11.2
93.03413	2.6
95.04975	3.3
103.05463	5.6
105.03384	2.9
105.07045	8.2
106.04172	2.1
107.04964	10.7
107.08607	1.2
109.02852	1.8
110.03638	2.6
111.04454	3.4
115.05450	3.9
117.07021	4.2
119.04943	11.2
121.06520	3.0
122.03691	2.0
123.04424	6.7
124.05215	2.7
125.05989	4.1
129.06998	3.9
131.04924	10.3
132.05771	3.6
133.02837	3.3
133.06476	8.7
134.03661	2.1
135.04396	3.0
135.08022	2.5
137.05968	20.2
140.04672	1.6
141.05453	3.2
143.04929	2.4
145.02971	1.4
145.06451	9.2
147.04399	27.8
148.05093	1.5
149.05986	4.7
151.03918	6.7
151.07539	2.4
152.04726	2.6
153.05429	10.0
160.05214	1.8
161.05988	26.7
163.03893	3.5
163.07578	5.0
165.05519	3.1
167.07027	100.0
173.05977	19.2
175.03886	1.6
175.07590	2.5
176.04681	1.6
177.05489	5.8
177.06870	1.6
178.06047	1.3
178.07742	3.2
179.07146	6.3
179.08459	1.7
181.04948	1.5
181.08618	1.9
185.05925	7.4
189.07030	4.1
190.06181	1.8
190.07773	4.1
191.07018	9.2
191.08589	5.2
192.07825	4.1
193.08559	6.1
202.07729	3.9
203.08580	5.3
205.06569	3.4
206.07262	4.4
207.08139	1.9
209.08116	3.7
210.08923	1.5
211.09705	2.1
215.08575	2.0
218.07274	5.2
219.08070	10.1
221.09596	4.1
222.06778	2.2
223.07603	1.6
231.08093	4.3
233.06009	2.3
233.09724	2.5
234.06770	5.1
235.07437	6.2
236.08351	1.9
237.05351	1.3
237.09137	4.7
243.08174	1.6
247.07510	7.0
249.09152	6.4
251.06972	2.1
251.10649	1.8
252.07803	1.5
253.08383	2.1
259.07538	2.4
261.09061	3.8
262.06323	4.2
263.07019	2.9
264.07803	4.6
265.08627	5.4
267.10220	4.1
275.07031	4.7
276.07895	4.2
277.08667	6.6
279.06552	2.3
279.10101	4.5
280.53964	1.5
281.11578	1.9
288.07919	1.6
289.08609	2.5
291.06577	2.7
291.10010	2.1
293.08121	7.5
293.11160	1.6
294.08771	3.8
295.09726	5.3
297.11273	4.1
305.08047	4.3
307.09576	10.1
309.11179	4.1
311.12643	1.4
312.09973	3.6
321.11212	1.8
325.10669	20.8
327.12207	13.8
334.80252	1.5
337.10629	15.5
339.12335	9.0
355.11444	1.9
357.13303	2.1
370.51416	1.4
468.23087	1.6
553.20862	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	553.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61089	2.8
53.03942	2.8
65.03939	7.8
67.05495	2.8
71.36159	4.8
78.04674	3.0
79.05480	9.0
81.03407	2.7
81.07042	4.2
86.09715	2.8
91.05486	22.2
93.03369	3.4
94.04218	2.8
95.04944	6.4
97.02895	3.3
103.05475	13.1
105.07048	12.6
107.04947	17.4
109.06517	5.7
110.03649	3.8
111.04430	10.2
115.05435	4.7
117.07011	5.2
119.04951	19.4
121.06467	4.8
122.03614	3.7
123.04375	7.8
124.05186	4.3
125.02328	8.7
125.05996	9.7
129.07030	3.5
131.04916	17.2
132.05692	4.6
133.02863	2.7
133.06462	9.2
135.04420	2.5
137.05974	32.3
145.06517	16.5
147.04420	36.3
149.05988	7.5
151.03880	7.4
151.07562	6.4
153.05472	30.8
157.06503	2.6
160.05225	3.1
161.05978	34.8
163.07585	6.4
165.05513	4.8
165.06888	4.9
167.07039	100.0
167.08458	6.1
173.05981	27.3
175.03947	4.7
175.07506	4.9
177.05487	6.9
178.07759	5.3
179.07034	14.8
180.09389	2.9
181.04933	3.6
181.08676	2.7
185.05962	8.8
189.06969	4.4
190.07755	5.9
191.07021	12.4
191.08466	5.2
193.08534	4.1
197.08102	3.3
200.29880	3.4
202.07657	5.4
202.55217	2.9
203.06969	5.0
203.08589	3.8
206.07289	5.4
209.09715	3.3
215.06926	3.4
215.08702	3.1
217.06581	3.1
218.07315	7.4
219.08052	17.5
221.06044	4.1
221.09654	6.4
222.06732	4.9
229.06845	2.7
231.08018	6.9
233.09776	4.4
234.06677	5.7
235.07582	8.1
236.08292	3.1
237.09155	9.7
239.06841	3.2
247.07492	10.7
249.09096	9.1
250.70438	3.1
251.07140	8.0
260.08286	3.3
261.09106	6.6
262.06281	8.6
263.07089	6.5
264.07614	2.8
265.08609	8.1
267.10168	7.0
268.56381	3.2
275.06937	8.9
276.07718	4.0
277.08588	11.6
279.06360	5.1
279.10132	3.8
281.11633	3.2
291.06888	3.2
291.09961	3.2
293.08017	17.3
294.08813	6.6
295.09564	8.4
297.11108	6.3
299.81961	2.5
305.07791	5.4
307.09674	18.4
309.11108	8.0
312.09851	4.0
323.09296	2.9
325.10712	51.0
327.12286	16.6
337.10751	35.6
339.12241	11.8
342.33255	2.7
345.02737	2.8
371.01666	2.9
553.21167	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	553.0571
Annotation	Unknow
Peak:m/z	Relative Intensity
58.07507	2.0
65.10928	1.8
71.50713	4.0
93.81844	2.2
98.20518	1.9
124.16431	2.0
126.92915	1.9
142.64259	2.0
144.01912	1.8
162.18748	1.9
168.92120	7.7
180.29033	2.0
181.31628	2.1
186.93190	9.1
192.63898	1.9
210.94092	100.0
228.94255	16.4
246.95222	13.2
254.39330	2.3
270.95331	14.6
271.00726	4.5
283.00574	2.1
288.96451	2.6
300.96384	3.8
330.97327	5.1
334.49002	2.2
342.08334	2.4
381.07892	10.4
495.45090	2.2
554.32153	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	553.1125
Annotation	Cryptomerin A
Peak:m/z	Relative Intensity
55.01873	0.2
55.51261	0.1
67.01861	2.1
67.05499	0.4
68.99776	0.6
69.03402	0.2
73.93192	0.1
79.05495	0.2
81.03401	0.3
81.07044	0.3
86.09673	0.2
91.05474	0.4
93.07037	0.2
102.04678	0.2
107.08574	0.1
108.02147	0.1
109.10165	0.2
115.05402	0.1
121.06535	0.1
121.10152	0.1
121.26334	0.1
124.01566	0.2
129.01817	0.1
130.63676	0.1
153.01811	8.2
154.02565	0.3
171.02884	0.9
173.16255	0.1
178.02579	0.1
184.07297	0.9
185.07645	0.1
197.05949	0.2
203.03287	0.2
208.05219	0.3
213.05562	0.1
216.75665	0.1
225.05510	0.1
226.06245	0.3
229.04955	0.2
234.06738	0.4
236.04700	0.1
237.05473	0.4
241.05000	0.3
242.05740	0.3
253.04974	1.7
254.05736	2.1
255.06563	0.4
257.04446	1.3
270.05212	0.2
271.06039	0.2
283.05960	0.9
286.04688	8.7
317.08044	0.3
319.06012	0.4
343.06189	0.1
357.07648	0.2
358.08331	0.3
361.07135	0.8
369.07529	1.9
385.07007	8.7
386.07715	0.8
387.04919	0.2
388.05978	0.1
401.10168	12.4
402.10669	0.2
403.08041	1.8
405.05951	0.9
411.04611	0.5
413.06573	0.5
427.07956	0.8
429.06058	1.2
439.07999	0.1
445.09109	0.9
453.05853	0.3
469.09067	0.7
471.06705	0.2
479.07385	0.2
481.09180	0.3
485.12265	0.4
493.09348	0.3
495.07031	1.0
509.08691	0.4
510.09579	0.2
511.10208	2.2
513.08398	0.2
521.08649	7.9
522.08893	0.3
525.11908	0.2
529.11554	0.4
537.08142	24.3
538.08826	3.0
553.11218	100.0
554.11584	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	552.3295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.2
56.05029	0.6
57.03446	0.2
58.06630	0.4
60.08161	6.1
62.18427	0.1
65.60027	0.1
67.05504	0.4
69.86472	0.8
70.06567	0.3
71.07368	2.5
73.22280	0.1
79.05489	0.3
81.07048	0.3
86.09702	29.8
87.10042	0.4
91.05488	0.2
93.07028	0.3
95.04959	0.2
98.98462	3.1
98.99064	0.3
104.10738	3.9
105.07054	0.2
107.05013	0.1
117.06940	0.2
124.99995	21.3
137.06007	0.3
143.01009	0.3
151.03856	0.2
155.54170	0.1
167.07034	0.1
177.05376	0.1
184.07330	100.0
185.07683	1.5
186.07774	0.2
258.11060	0.3
452.23831	0.3
534.31848	2.4
552.32947	3.1
553.29358	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3526
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	6.2
55.05508	18.8
56.07318	1.5
60.54070	1.4
67.05502	17.7
69.03424	2.7
69.07051	5.9
69.97456	6.7
79.05493	18.7
81.03396	4.8
81.06598	2.8
81.07053	41.0
83.04967	5.9
83.08618	10.9
86.09714	1.7
91.05487	14.0
93.03485	1.7
93.07051	10.4
95.04958	11.6
95.08589	6.7
97.06530	3.7
97.10175	15.1
98.20779	3.0
105.07048	8.3
107.04977	6.7
107.08595	10.2
109.06525	4.0
109.10151	5.5
111.04421	5.2
111.08082	3.8
117.06996	8.4
119.08572	17.8
121.06527	6.8
121.10132	6.8
123.08054	6.7
124.99965	2.8
125.09631	12.9
128.06233	1.7
129.07002	3.8
131.08542	5.8
133.06499	1.6
133.10130	4.2
135.08020	6.6
135.11693	3.4
137.09616	2.5
139.11201	2.1
143.08528	2.7
145.10120	8.5
147.08064	10.1
147.11650	2.3
149.09596	5.1
153.09109	3.3
153.12700	2.2
157.10101	2.7
159.11720	3.1
161.09613	5.7
163.11208	9.7
165.09151	3.6
171.11644	2.5
173.09622	1.7
173.86275	1.3
174.09811	1.3
175.11177	2.7
181.12233	2.6
184.07323	10.4
189.11214	11.3
191.10646	5.6
195.59561	1.4
209.11794	3.3
223.13272	5.1
227.12782	6.5
245.19008	2.6
249.14864	1.8
255.17383	4.6
273.18472	28.1
283.79062	1.6
291.19534	100.0
292.20007	2.3
296.41306	1.4
309.20547	4.3
348.33917	1.4
553.27576	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	552.3297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.1
56.05025	0.5
58.06629	0.5
59.07390	0.2
60.08164	6.3
67.05500	0.3
69.07081	0.2
70.06570	0.1
70.96539	0.2
71.06993	0.1
71.07377	2.8
79.05492	0.2
81.07054	0.3
84.08184	0.1
86.09705	28.9
87.10030	0.2
91.05472	0.3
93.07029	0.2
95.04954	0.1
95.08635	0.1
98.98463	2.6
103.50750	0.1
104.10741	4.6
105.06998	0.1
107.61027	0.1
121.10150	0.1
125.00002	19.7
129.64116	0.1
143.01054	0.3
184.07336	100.0
185.07747	0.5
219.98489	0.1
253.17928	0.1
258.11014	0.4
452.24084	0.5
505.24609	0.1
524.60455	0.1
534.32043	1.0
552.32990	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	552.3295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.2
56.05028	0.7
58.06364	0.2
58.06627	0.5
59.07380	0.3
60.08163	6.6
69.94778	0.5
69.95182	0.7
71.07374	2.5
75.54297	0.2
76.20083	0.2
81.07051	0.4
86.09705	30.7
87.10050	0.3
98.21502	0.3
98.98469	3.4
104.10743	3.8
104.11431	0.3
105.07061	0.2
125.00002	20.2
143.00954	0.2
184.07339	100.0
185.07657	0.8
208.28362	0.2
452.23862	0.9
534.32117	1.5
552.33057	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	552.3294
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00106	0.1
56.05032	0.6
57.03450	0.1
58.06620	0.6
58.85337	0.1
59.07389	0.2
60.08161	7.4
62.69312	0.1
65.66459	0.1
67.05501	0.3
68.83710	0.1
69.07044	0.1
70.06607	0.1
70.24825	0.4
71.07369	3.0
77.68301	0.1
79.05482	0.3
81.07057	0.3
83.04941	0.1
84.08190	0.1
86.09702	32.7
87.10031	0.3
91.05450	0.2
93.07040	0.3
95.04988	0.1
95.08605	0.1
98.97795	0.1
98.98457	3.2
104.10735	4.0
105.07027	0.2
124.99998	22.5
126.00352	0.1
143.01047	0.3
144.40111	0.1
147.11719	0.1
150.31189	0.1
184.07332	100.0
185.07678	0.6
196.52681	0.1
239.09236	0.1
258.10995	0.2
292.19424	0.1
436.24329	0.1
446.23251	0.4
464.17972	0.2
464.24100	2.1
500.31122	0.2
516.30573	0.1
518.32483	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.3
56.05031	0.6
58.06344	0.2
58.06620	0.4
59.07365	0.2
60.08159	7.1
62.38357	0.1
67.05491	0.4
67.16580	0.2
71.06988	0.3
71.07365	2.9
79.05472	0.3
81.03416	0.2
81.07061	0.4
81.76035	0.1
85.92506	0.1
86.09700	32.0
87.10032	0.2
91.05500	0.2
93.07043	0.2
93.44453	0.1
95.08606	0.2
97.06554	0.2
98.98461	3.1
98.99062	0.3
104.10737	7.0
105.07073	0.2
107.04916	0.2
107.08588	0.2
124.99992	23.4
137.05934	0.3
143.01031	0.3
167.07109	0.2
184.07326	100.0
185.07610	0.8
258.11050	0.4
287.05777	0.2
452.23837	0.6
516.30768	0.3
534.31696	1.7
552.33051	3.4
553.32703	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3291
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34863	0.1
55.05514	0.1
56.05039	0.6
58.06318	0.2
58.06625	0.5
58.36395	0.1
59.07399	0.3
60.08158	6.6
62.80874	0.1
67.05492	0.2
68.66013	0.1
69.86959	0.5
70.06580	0.1
71.07366	2.8
79.05502	0.2
81.07052	0.3
86.09700	30.9
87.10049	0.2
91.05499	0.1
93.07034	0.3
95.08617	0.2
98.98456	2.8
104.10734	3.5
105.07064	0.1
107.05013	0.1
124.99992	21.0
143.01051	0.3
184.07327	100.0
185.07693	0.7
230.84465	0.1
258.11035	0.3
436.24109	0.2
446.23157	0.4
464.24075	2.0
464.30646	0.1
500.31015	0.1
518.32343	1.2
534.31744	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	552.3293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.3
56.05038	0.4
57.03430	0.3
58.06586	2.5
59.07373	2.2
60.08162	8.9
67.05496	1.1
69.07069	0.3
69.36597	0.2
69.50593	1.9
71.07371	3.7
79.05473	0.5
81.03393	0.4
81.07049	0.9
83.04993	0.3
86.09703	37.3
87.10060	0.3
91.05479	0.8
93.07049	0.7
95.08576	0.6
97.06535	0.3
98.98460	2.9
104.10739	39.7
105.07045	0.6
107.08586	0.4
119.08557	0.5
125.00000	21.4
128.20486	0.2
129.05493	0.4
143.01048	0.4
163.01527	0.2
164.12195	0.2
184.07333	100.0
185.07622	0.6
210.08917	0.8
239.09093	0.9
258.11005	0.7
312.11884	0.7
324.71808	0.2
331.10352	0.3
394.27631	0.2
434.23337	0.7
446.22964	0.7
464.24118	4.6
500.31342	0.8
516.30573	0.6
518.32373	4.8
534.31659	0.6
549.93152	0.2
552.28778	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.2
55.05510	1.4
57.03417	1.1
60.78799	0.7
65.03938	1.2
67.05500	4.5
69.03430	3.7
69.07072	4.0
69.12501	0.6
78.93613	0.7
79.05491	8.0
81.03422	1.3
81.07056	100.0
82.07388	1.4
83.04995	1.1
84.04478	1.1
84.08213	0.8
85.02894	5.9
86.09689	4.0
87.00829	14.2
87.04478	1.8
89.26559	0.7
91.05457	1.0
93.07048	2.4
95.04999	2.1
95.08607	12.9
97.02892	60.6
97.06535	1.2
97.21987	0.7
98.05997	1.0
98.20721	1.6
103.05412	1.5
105.01870	9.4
105.07036	1.4
105.15163	0.7
106.06555	1.8
107.04994	1.3
107.08570	1.3
109.02912	0.9
109.10142	1.1
118.77874	0.7
121.06528	1.1
122.03691	1.2
125.00042	1.4
127.03873	1.0
130.43703	0.8
131.04955	1.9
137.05988	6.4
137.13258	22.4
138.06308	1.5
139.03917	0.8
149.02299	1.1
149.06013	2.2
151.03935	2.5
151.07561	1.1
161.06024	1.4
163.03952	1.7
164.07091	1.2
165.05547	1.4
167.07053	5.8
168.07422	2.4
174.56981	0.8
175.07570	1.1
177.05505	1.3
181.04999	0.9
184.07333	13.5
193.08652	1.1
201.03949	32.4
202.04320	0.9
207.06558	0.8
215.07140	0.7
219.04970	11.7
224.44411	0.7
235.07419	0.8
236.07690	0.8
319.09863	0.8
328.12784	1.0
336.97357	0.7
345.08224	12.3
363.09418	3.4
446.27310	1.0
490.20981	0.8
492.24011	1.5
520.22797	1.5
534.23621	1.6
534.31555	0.7
552.24438	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	551.4305
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.3
54.65821	0.8
55.01860	1.8
55.05509	15.2
57.03445	6.3
57.07074	38.3
59.72500	0.9
65.03933	1.0
65.14895	0.8
67.05502	23.0
69.03428	2.6
69.07073	12.1
70.10879	3.7
71.05001	4.5
71.08629	30.6
79.05491	12.7
81.03416	38.6
81.07054	32.6
81.07531	1.6
83.04967	7.3
83.08618	22.5
85.02903	19.3
85.03389	1.5
85.06556	2.0
85.10183	14.9
91.05481	17.1
93.07038	10.5
95.04967	16.4
95.08607	26.6
97.02856	1.6
97.06562	0.9
97.10167	11.4
99.08129	2.0
99.11761	1.3
105.07029	12.6
107.04961	3.6
107.08607	2.8
109.06516	3.7
109.09466	1.3
109.10153	11.4
111.08078	7.3
111.11736	3.3
113.06041	1.5
115.05469	0.9
117.07013	1.7
119.08585	11.7
121.10145	6.6
123.11694	5.1
126.25375	0.8
129.06998	5.1
131.08556	5.4
133.10124	5.4
137.13274	2.4
145.10085	1.5
147.11685	6.7
149.09633	2.5
151.03917	2.6
157.10091	6.8
163.11250	1.1
165.12794	2.1
170.12851	1.1
175.11171	9.8
193.12236	38.0
211.13289	48.1
212.13611	1.6
249.14818	1.0
255.00748	1.1
267.15842	4.6
267.26871	4.0
285.16916	1.2
341.30640	3.4
412.15231	1.0
533.41888	1.9
551.43079	100.0
552.43378	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	551.2121
Annotation	Eucommin A
Peak:m/z	Relative Intensity
53.03922	2.4
55.01599	2.0
55.01867	37.2
57.03424	3.6
61.02913	5.5
65.03926	5.3
67.05497	2.7
69.03432	19.3
70.55039	2.1
71.04988	2.7
73.02900	4.6
79.05483	3.6
81.03398	5.2
81.07040	1.7
82.04208	2.3
85.02898	34.7
87.04456	3.3
89.16484	1.2
91.05481	2.6
93.03397	1.5
93.07010	1.3
95.04977	5.5
97.02887	12.3
97.06551	1.4
99.04453	4.0
103.05458	15.2
105.07034	1.6
107.04959	10.0
109.02879	4.8
110.03627	3.0
115.05520	1.5
117.06992	2.7
121.06470	2.8
122.03642	3.3
122.80569	1.1
123.04416	5.1
125.05957	2.4
127.03912	6.1
128.06201	1.8
129.07008	6.5
131.04912	16.4
133.06555	1.6
134.03615	1.4
135.08038	1.7
137.04910	1.9
137.05966	35.9
138.03125	1.6
142.02600	1.9
145.04958	2.5
145.06477	4.6
149.05963	12.8
151.03874	1.5
151.07590	1.4
153.05455	3.3
155.07034	1.6
157.06473	7.1
159.04404	2.0
160.05141	2.4
161.05981	2.8
163.03891	1.4
163.07506	9.1
167.07016	26.5
171.06549	4.7
174.06749	2.9
175.07547	12.0
175.88492	1.2
177.05449	38.6
177.09135	2.7
181.04941	70.5
181.08543	2.0
182.59207	1.3
183.06540	1.7
185.05980	2.3
187.07471	3.4
189.09087	7.9
191.07092	1.8
199.07608	1.2
203.08469	1.4
205.08562	11.2
209.08075	100.0
217.08568	9.2
218.07184	2.3
220.26604	1.1
221.08078	2.3
231.08072	2.3
233.53734	1.1
235.09636	8.5
247.07617	1.7
249.09087	4.5
261.09167	3.6
277.08517	6.8
278.09274	1.7
287.16394	1.2
293.11713	3.6
309.11203	3.2
309.93219	1.4
312.95044	1.3
321.11288	3.8
339.12146	7.2
341.13727	9.9
353.13858	6.7
359.14853	48.6
371.14862	29.0
372.15292	2.8
389.15958	10.9
473.40750	1.2
521.20215	6.1
533.20099	1.9
537.30383	1.2
540.63672	1.3
551.21191	54.8
552.21442	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	551.2118
Annotation	Tracheloside
Peak:m/z	Relative Intensity
51.17915	1.2
51.74857	1.1
53.03946	3.4
55.01873	50.9
57.03433	6.6
61.02929	8.3
65.03931	8.0
67.05503	3.4
69.03434	27.1
69.49607	2.5
69.50018	6.7
71.01355	1.1
71.04978	3.0
73.02911	5.3
79.05491	5.1
81.03423	9.6
81.07059	1.8
82.04183	3.5
85.02910	44.2
87.04464	4.7
91.05489	5.3
93.03416	1.9
93.07033	2.6
94.04196	2.6
95.04980	6.8
97.02901	16.2
97.06531	1.7
98.20708	2.3
99.04443	3.4
101.02380	1.8
103.05473	16.2
105.07050	3.8
107.04962	12.5
108.02105	1.4
109.02888	5.8
109.06516	2.2
110.03660	4.9
115.05486	3.4
117.07002	2.0
121.06499	7.7
122.03642	7.4
123.04440	5.3
124.05224	1.8
125.05986	3.1
127.03892	7.4
128.06259	1.7
128.21628	1.1
129.07007	9.8
131.04927	23.3
133.06458	2.9
135.04414	2.4
135.08051	1.5
137.05977	71.7
138.03157	1.3
138.06325	1.5
140.04660	2.1
142.02634	3.2
145.04987	2.8
145.06470	7.6
147.04408	1.5
149.05984	16.8
151.03944	3.6
151.07556	5.0
152.04672	1.9
153.05455	3.2
155.07060	1.9
157.06496	9.6
159.04382	2.6
160.05241	3.5
161.05962	6.6
163.03941	2.0
163.07532	11.9
165.16451	1.2
167.07043	33.5
171.06595	7.1
173.05936	1.2
174.06799	4.1
175.07568	16.6
177.05484	56.5
177.09122	4.5
179.07106	1.4
181.04959	92.1
183.06548	1.6
185.05966	3.0
187.07561	3.6
188.08359	1.5
189.09088	9.4
191.07053	1.8
199.07570	1.5
205.06750	1.8
205.08562	9.4
207.06429	1.3
209.08095	100.0
217.08556	10.2
219.08052	2.2
221.08134	3.4
231.08040	2.0
234.06711	2.4
235.07588	2.5
235.09630	9.6
247.07524	1.7
249.09157	3.7
261.09097	4.6
263.10681	1.4
273.09326	1.2
276.07855	1.4
277.08621	6.0
278.09387	3.1
279.10184	1.9
280.10806	1.2
281.11444	1.2
289.08514	1.4
291.10211	1.6
293.11713	2.8
307.09778	2.7
309.11307	4.4
310.11920	1.4
313.10800	1.4
321.11285	3.1
325.10739	2.4
339.12268	6.6
341.13895	8.2
351.12338	2.8
352.13095	1.3
353.13748	7.2
359.14902	49.5
360.15640	1.4
371.14914	32.6
389.15936	12.6
397.16666	2.7
501.98071	1.3
521.20276	5.0
533.20721	4.9
551.21234	60.0
552.21631	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.4
56.05018	0.6
58.06597	0.4
60.08163	5.8
61.93532	0.3
67.05499	0.6
69.07049	0.4
69.53622	0.6
69.54025	1.5
70.17406	0.3
71.07365	2.8
81.07026	0.4
83.20782	0.3
86.09702	29.4
93.07055	0.5
95.08515	0.3
97.10172	0.3
98.98461	2.7
104.10738	2.8
107.99953	0.3
109.10155	0.4
116.03123	0.3
124.99995	19.7
134.65994	0.3
143.01042	0.3
184.07330	100.0
185.07622	0.4
289.32736	0.3
422.57407	0.3
424.54245	0.3
532.37781	1.1
550.38458	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	550.3868
Annotation	1-O-(cis-9-Octadecenyl)-2-O-acetyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
53.03939	0.3
55.05498	1.0
56.05018	0.5
57.07067	0.5
58.06611	0.6
60.07886	0.5
60.08159	5.6
60.65389	0.3
63.00001	0.3
65.82397	0.2
67.05500	1.7
68.39133	0.3
69.07041	0.9
70.66409	0.9
71.04977	0.4
71.07372	2.7
79.05475	0.9
79.20717	0.3
81.03402	1.2
81.07048	1.6
82.07365	0.3
83.04968	0.5
83.08608	1.0
85.02888	1.0
86.09702	28.2
87.10053	0.4
91.05465	0.8
93.07021	1.1
95.04971	0.6
95.08613	1.4
97.10191	0.4
98.98466	2.8
104.10745	2.8
105.07034	0.5
107.08578	0.3
109.06528	0.3
109.10164	0.5
111.24699	0.2
119.08581	0.6
121.10143	0.6
124.99995	19.1
131.08534	0.3
143.01054	0.6
143.77722	0.3
184.07332	100.0
185.07698	0.4
193.12221	0.7
194.12640	0.6
211.05426	0.3
211.13278	1.0
212.13504	0.5
303.04895	0.4
532.37402	0.7
550.41919	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	551.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.7
55.01871	1.8
60.61382	1.0
67.05496	3.6
69.03429	11.0
69.57336	4.5
69.57742	1.9
71.01357	2.5
71.04974	2.0
71.93270	0.9
79.05493	11.4
81.03413	5.9
81.07048	3.5
85.02879	5.8
91.05464	3.5
93.07024	5.2
95.01359	1.4
95.04966	55.5
97.02306	1.5
97.02892	17.7
97.06510	1.3
98.21497	1.8
99.04443	1.2
103.05462	6.9
105.04520	1.8
105.06994	1.2
107.04954	54.4
109.02877	36.9
109.06510	4.7
111.04372	0.9
121.06482	10.0
123.04419	14.4
125.02351	72.4
125.05994	3.3
127.03924	7.2
131.04932	4.1
132.06815	1.0
133.02826	1.7
135.04410	5.1
145.04910	1.6
147.04388	0.9
149.05983	19.5
151.03900	100.0
153.05466	15.4
159.04410	4.2
162.25525	1.1
167.06993	1.2
175.03893	2.0
177.05463	38.7
187.96916	1.0
193.04903	1.1
195.06525	60.4
202.06232	1.2
213.07585	6.8
236.03476	0.9
261.93146	0.9
295.08197	1.6
299.71783	1.0
303.08725	1.6
311.12103	1.0
321.09598	2.7
339.10690	4.3
357.11594	4.9
393.83148	1.1
489.13715	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50911	1.6
51.02365	2.0
51.05633	1.7
53.03934	4.5
55.01862	4.4
57.03440	2.5
58.63286	1.8
59.04984	7.4
65.03951	1.9
67.05486	3.9
69.03421	6.2
70.06606	2.0
71.01350	2.2
71.02515	3.1
71.02866	3.5
73.02898	2.5
78.41656	1.8
79.05497	13.8
81.03423	17.1
81.07053	2.8
83.04958	4.4
85.02911	11.0
91.05458	5.9
93.07032	7.2
95.04972	16.1
97.02914	8.7
97.58814	2.5
99.04460	6.4
103.05457	11.0
107.04224	2.8
107.04955	63.1
109.02882	100.0
109.06511	6.9
111.04457	2.9
121.06493	14.3
123.04412	6.8
125.02339	11.3
127.03903	5.5
131.04951	11.4
135.04375	14.0
137.05951	10.5
139.03903	33.8
141.05424	4.9
145.04922	3.7
147.04446	3.5
149.05992	28.5
151.03889	15.9
153.05463	3.2
159.04413	7.4
162.04257	1.8
163.07515	2.2
165.05475	42.6
167.07030	17.4
177.05475	89.9
179.33696	1.6
181.04840	3.5
183.06281	2.2
187.07516	2.0
191.05482	6.0
191.07018	3.5
192.13814	1.8
195.06474	16.3
209.08098	68.9
227.09146	2.5
283.46185	1.9
287.07587	2.9
319.10165	5.5
339.10938	3.8
357.11823	5.7
551.22351	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	550.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	8.1
53.31321	4.1
55.01867	5.9
55.04213	4.6
55.05514	18.0
57.03455	6.2
65.03933	12.8
67.05499	34.2
69.03430	14.3
69.07072	22.6
70.71408	7.9
70.71788	9.1
73.02919	6.7
79.05504	29.4
81.03414	13.8
81.07060	68.8
84.00454	4.9
85.02921	22.2
85.06547	7.5
86.09731	6.1
91.05476	45.6
93.06486	8.0
93.07050	100.0
95.04977	11.7
95.08613	68.1
97.02892	14.5
97.06577	6.9
103.05489	7.0
105.07031	61.5
106.04176	5.2
107.04942	20.4
107.08591	65.6
109.02894	5.7
109.10155	93.9
110.03729	6.0
111.04417	6.0
111.08072	13.0
115.03938	6.0
117.06998	7.7
119.05000	10.2
119.08575	50.2
120.05284	5.1
121.06507	9.0
121.10158	39.5
123.11731	17.4
127.03902	6.4
131.04947	13.5
133.02840	10.4
133.04915	11.6
133.06505	10.6
133.10123	38.8
135.04445	4.4
135.11685	51.0
137.05959	70.9
137.06818	6.4
138.06314	15.0
145.04993	10.8
147.04419	10.3
147.11684	51.9
149.05946	5.6
149.13417	4.7
151.03860	9.2
151.07564	15.6
151.11157	6.6
153.05478	25.1
154.05814	6.7
161.05983	14.4
161.13286	22.1
163.03804	6.2
163.07494	6.7
167.07080	54.9
168.07315	6.6
174.06711	5.0
175.07489	10.6
177.05479	9.3
179.06970	6.4
181.04950	6.0
184.07376	14.7
187.07532	13.5
191.06953	5.3
199.07541	5.1
203.17940	60.0
209.07985	9.7
211.16930	10.4
217.08546	8.8
221.06021	6.3
233.09042	4.9
249.08960	7.5
251.10707	6.9
263.06638	5.1
265.08279	9.4
266.09366	5.9
277.08694	8.7
278.09186	5.6
279.09924	7.2
280.10562	7.1
295.09946	8.8
303.10129	5.2
307.09573	8.2
308.10074	11.9
337.10675	5.9
339.12265	20.1
340.12637	20.8
341.13632	11.1
352.12558	7.8
532.19995	10.3
550.20966	43.0
550.29382	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	550.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	8.1
53.31321	4.1
55.01867	5.9
55.04213	4.6
55.05514	18.0
57.03455	6.2
65.03933	12.8
67.05499	34.2
69.03430	14.3
69.07072	22.6
70.71408	7.9
70.71788	9.1
73.02919	6.7
79.05504	29.4
81.03414	13.8
81.07060	68.8
84.00454	4.9
85.02921	22.2
85.06547	7.5
86.09731	6.1
91.05476	45.6
93.06486	8.0
93.07050	100.0
95.04977	11.7
95.08613	68.1
97.02892	14.5
97.06577	6.9
103.05489	7.0
105.07031	61.5
106.04176	5.2
107.04942	20.4
107.08591	65.6
109.02894	5.7
109.10155	93.9
110.03729	6.0
111.04417	6.0
111.08072	13.0
115.03938	6.0
117.06998	7.7
119.05000	10.2
119.08575	50.2
120.05284	5.1
121.06507	9.0
121.10158	39.5
123.11731	17.4
127.03902	6.4
131.04947	13.5
133.02840	10.4
133.04915	11.6
133.06505	10.6
133.10123	38.8
135.04445	4.4
135.11685	51.0
137.05959	70.9
137.06818	6.4
138.06314	15.0
145.04993	10.8
147.04419	10.3
147.11684	51.9
149.05946	5.6
149.13417	4.7
151.03860	9.2
151.07564	15.6
151.11157	6.6
153.05478	25.1
154.05814	6.7
161.05983	14.4
161.13286	22.1
163.03804	6.2
163.07494	6.7
167.07080	54.9
168.07315	6.6
174.06711	5.0
175.07489	10.6
177.05479	9.3
179.06970	6.4
181.04950	6.0
184.07376	14.7
187.07532	13.5
191.06953	5.3
199.07541	5.1
203.17940	60.0
209.07985	9.7
211.16930	10.4
217.08546	8.8
221.06021	6.3
233.09042	4.9
249.08960	7.5
251.10707	6.9
263.06638	5.1
265.08279	9.4
266.09366	5.9
277.08694	8.7
278.09186	5.6
279.09924	7.2
280.10562	7.1
295.09946	8.8
303.10129	5.2
307.09573	8.2
308.10074	11.9
337.10675	5.9
339.12265	20.1
340.12637	20.8
341.13632	11.1
352.12558	7.8
532.19995	10.3
550.20966	43.0
550.29382	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	550.3142
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05031	0.6
58.06630	0.5
60.08167	5.2
67.05521	0.2
69.07069	0.2
71.07378	3.0
77.78956	0.2
79.05445	0.2
81.03407	0.2
81.07050	0.4
81.08324	0.2
82.30019	0.2
85.10896	0.2
86.09707	29.4
93.07030	0.2
98.98461	2.8
104.10749	4.1
105.07078	0.2
125.00005	20.3
127.21169	0.2
131.08569	0.2
143.01073	0.2
143.08018	0.2
184.07343	100.0
185.07680	0.6
186.86214	0.2
207.25119	0.2
229.59737	0.2
294.95554	0.2
326.99960	0.2
379.87308	0.2
452.23953	0.7
532.30414	0.9
550.31470	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	550.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	9.8
55.01859	10.4
55.05502	11.7
57.03425	15.9
61.01149	3.6
61.02916	18.0
67.05508	23.1
69.03429	42.3
69.07065	18.5
69.36464	37.4
71.04997	3.7
72.08137	4.6
73.02915	57.3
74.06102	4.2
75.71060	3.8
77.03900	3.8
79.05487	26.5
81.03429	14.2
81.07053	67.8
83.08632	5.7
84.08144	4.2
85.02899	66.9
86.09695	24.5
87.04466	6.8
91.03957	5.1
91.05468	35.2
93.07040	34.9
95.04984	13.5
95.08602	80.8
97.02883	58.3
97.06523	9.7
98.21487	6.2
103.05466	8.2
105.06334	5.7
105.07019	62.1
107.04946	16.3
107.08585	61.3
108.58102	4.8
109.02882	8.4
109.06505	10.3
109.10143	51.8
111.08067	5.0
115.03911	26.3
119.08581	43.0
121.06504	7.3
121.10128	26.3
122.03626	5.3
123.11739	8.8
125.00006	10.7
125.05999	4.7
127.03909	18.9
129.06995	7.4
131.04939	9.4
131.08559	6.5
133.02931	6.2
133.04971	32.7
133.10162	29.4
135.11710	18.6
137.05974	51.0
138.06357	7.8
139.03911	5.2
145.04956	22.6
145.10060	6.4
146.05956	8.2
147.04355	8.7
147.11688	41.7
149.05917	7.1
149.13239	5.9
151.03876	9.4
151.07501	7.2
151.11110	7.2
161.06026	10.1
161.13286	17.2
162.06609	5.1
163.03905	6.6
163.06010	8.7
163.07567	4.5
163.14793	10.4
165.05403	6.9
167.07010	38.1
168.07414	4.5
175.07661	7.4
175.14833	9.3
177.05476	5.5
179.07050	3.9
181.04961	4.9
184.07350	49.6
187.07512	6.6
189.16455	5.2
195.06400	5.0
203.17952	100.0
206.08098	10.1
209.09564	5.1
218.08170	4.3
221.19012	10.7
262.06882	4.5
277.08780	4.6
307.09747	4.7
313.10513	4.4
335.21835	4.8
341.13867	6.5
348.58524	4.2
479.16165	4.8
532.20532	8.6
550.20544	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	550.3137
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.1
55.05509	0.3
56.05031	0.7
58.06341	0.2
58.06607	0.4
60.08160	6.9
65.03960	0.2
67.05505	0.4
69.07079	0.2
70.06591	0.2
71.07371	2.9
71.25321	0.3
79.05490	0.2
81.07049	0.5
86.09702	32.9
91.05476	0.4
93.07043	0.4
97.06537	0.3
98.06871	0.2
98.98468	3.1
104.10741	3.9
105.07024	0.3
109.10140	0.4
124.99998	22.5
133.10071	0.2
143.00996	0.2
180.03558	0.1
181.93687	0.2
184.07333	100.0
185.07674	0.6
188.24330	0.2
208.54436	0.2
258.10989	0.2
364.31827	0.2
377.01810	0.2
532.30603	1.1
550.31451	4.2
579.45679	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3142
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.2
56.05030	0.7
58.06627	0.5
60.08165	6.9
67.05504	0.3
68.56063	0.2
69.40549	0.4
69.40959	1.1
71.06992	0.2
71.07375	3.1
72.08141	0.2
79.05487	0.2
81.07070	0.3
83.04975	0.2
86.09707	33.8
91.05486	0.3
93.07053	0.3
93.70352	0.2
98.98464	3.1
104.10741	3.7
107.08601	0.3
125.00005	23.3
143.01074	0.3
149.82538	0.1
184.07343	100.0
185.07684	0.7
258.10980	0.3
271.13293	0.2
288.68832	0.2
303.05081	0.2
446.23206	0.3
464.24100	1.9
490.28552	0.4
516.30652	0.6
532.29987	0.3
550.31525	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3137
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	0.6
56.05022	0.3
57.20755	0.3
58.06585	0.4
60.08161	5.8
67.05503	0.7
68.74461	0.2
69.07043	0.5
70.06588	0.4
70.07367	0.2
71.04926	0.3
71.07365	3.3
72.59915	0.3
75.81155	0.3
79.05478	0.5
81.03391	0.3
81.07038	0.8
86.09700	27.8
91.05465	0.6
93.06999	0.3
97.06516	0.6
98.21511	0.8
98.98465	2.5
104.10737	3.7
105.06985	0.4
107.04916	0.3
109.06522	0.4
117.06931	0.3
119.08556	0.3
121.10159	0.3
124.99992	19.8
127.55361	0.3
143.01048	0.5
163.03967	0.3
184.07326	100.0
185.07686	0.6
189.57986	0.3
222.71950	0.3
264.44791	0.4
367.24905	0.3
440.74838	0.3
490.29138	0.8
532.30481	0.8
550.31323	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	550.3135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.2
56.05029	0.4
56.42746	0.1
58.06626	0.5
59.07389	0.2
60.08159	6.7
62.41174	0.1
67.05504	0.3
69.85443	0.8
71.07369	2.9
79.05489	0.4
80.60008	0.1
81.03421	0.2
81.07053	0.4
83.08582	0.2
86.09698	28.9
91.05436	0.2
94.18592	0.1
95.08601	0.1
97.06512	0.2
98.20608	0.1
98.98458	2.8
104.10737	3.8
105.07027	0.3
107.07023	0.1
114.08128	0.2
124.99992	19.8
130.75177	0.1
138.72415	0.1
143.00984	0.2
143.63123	0.1
162.44437	0.2
167.07133	0.2
184.07326	100.0
185.07657	0.5
202.92665	0.1
258.10962	0.3
278.08627	0.2
283.91415	0.2
291.19846	0.2
452.23825	0.5
532.30072	1.2
550.31433	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	550.3139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.3
56.05034	0.6
57.03436	0.1
58.06613	0.6
59.07376	0.2
60.08164	6.7
67.05500	0.3
69.07074	0.2
70.06573	0.1
71.06989	0.2
71.07371	3.3
72.08164	0.2
79.05499	0.3
80.97422	0.1
81.03447	0.2
81.07058	0.3
86.09705	32.3
87.10028	0.1
91.05460	0.3
93.07043	0.1
95.04961	0.1
95.08636	0.1
97.06519	0.3
98.20742	0.2
98.98462	3.1
104.10741	4.1
105.07043	0.2
107.08600	0.2
109.10165	0.2
125.00003	22.4
133.10156	0.1
143.01067	0.5
164.07016	0.2
166.02713	0.2
184.07339	100.0
185.06229	0.2
185.07655	0.7
258.11072	0.2
259.09738	0.1
260.09921	0.1
273.86908	0.1
303.04993	0.2
315.10983	0.1
490.28806	0.2
504.27408	0.2
511.60956	0.1
516.30756	0.1
519.78223	0.1
532.30518	0.8
550.31537	4.1
551.28583	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55371	4.4
53.70308	3.8
55.01865	5.5
55.05512	21.4
57.07078	31.2
60.08450	4.0
63.34700	3.5
67.05511	29.5
69.07055	14.1
71.08644	32.3
79.05508	23.9
81.03388	13.0
81.07059	46.4
83.01320	5.9
83.04958	8.9
83.08627	18.2
85.10180	14.5
91.05474	13.6
93.07022	24.7
95.04967	6.7
95.08613	37.8
97.10168	13.0
99.04440	4.7
105.07017	13.6
107.04905	4.1
107.08584	14.3
109.06523	7.7
109.10145	12.0
117.06997	9.5
119.08562	11.0
121.10170	9.0
123.08057	8.9
123.11742	5.4
133.10088	4.3
135.11676	10.4
145.10100	15.8
145.93942	3.9
163.11169	25.8
209.11659	6.9
227.12773	4.4
267.26892	4.4
393.02579	4.3
454.36298	3.9
465.11420	4.5
485.94437	4.4
549.25159	5.5
549.41528	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16153	0.9
51.45423	0.9
55.01870	1.1
57.03418	1.7
61.02924	1.8
62.06106	1.0
69.03423	4.8
70.10098	2.3
70.10490	1.6
71.29485	1.0
79.05501	1.6
81.03430	1.3
85.02904	14.1
95.01304	1.6
97.02892	4.4
97.92686	1.1
107.04974	2.9
109.02859	1.1
111.93343	1.0
117.03376	2.9
119.04990	1.3
123.04413	1.4
127.03925	2.9
131.04990	1.0
135.04404	11.3
138.03137	1.5
139.03918	3.4
140.11757	0.9
145.01849	1.5
145.02818	7.3
145.04907	2.1
147.04422	3.9
149.02327	3.1
151.03880	1.7
153.05464	100.0
163.03899	92.3
175.03900	2.2
177.01849	3.7
177.05399	2.1
178.05037	0.9
181.04959	4.2
182.05692	1.0
182.35745	0.9
187.03928	1.5
189.05510	2.5
191.03461	2.2
195.06526	58.5
201.05510	1.9
201.37102	1.0
203.03386	53.3
205.05011	6.2
213.05405	1.5
215.03436	7.5
217.05034	1.4
221.04462	1.6
229.05064	1.3
231.02940	6.7
231.06451	1.1
233.04482	5.5
235.06097	1.6
257.04385	1.0
261.03949	6.1
275.05545	4.4
279.05011	13.1
291.04980	16.3
303.04999	2.1
321.06085	12.3
325.07733	1.1
339.07095	67.5
352.86398	1.1
371.09723	6.2
427.02142	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78359	1.0
51.94262	1.1
53.03940	3.2
54.62251	1.1
55.01863	2.4
55.05511	31.0
57.03439	8.3
57.07074	10.1
65.03949	2.9
67.05503	40.9
69.03429	3.6
69.07071	38.2
69.32495	11.9
71.04985	5.2
71.08630	4.7
79.05492	24.1
81.02937	2.1
81.03417	44.4
81.07056	46.4
83.04993	6.8
83.08618	38.0
83.08975	0.9
83.09118	1.6
85.02900	17.8
85.06539	3.2
91.05485	21.3
93.07044	19.5
95.04962	19.5
95.08607	36.3
97.02890	2.3
97.06522	4.6
97.10172	12.9
98.21339	4.3
99.08096	1.4
105.07025	13.7
105.79363	1.2
107.04950	4.8
107.08585	12.0
109.10151	14.4
111.07409	1.3
111.08076	8.7
111.11716	3.1
113.06039	2.5
117.07011	2.3
119.08590	13.5
121.10149	17.0
123.08122	2.0
123.11709	5.6
125.09631	1.6
129.06172	1.2
129.06960	6.7
131.07755	1.3
131.08539	7.0
133.06470	1.8
133.10158	9.1
135.11690	8.7
137.09653	1.3
137.13278	3.1
142.07788	2.1
145.10133	3.3
147.08022	1.8
147.11688	12.2
149.09651	4.8
149.13295	3.8
149.28658	1.4
157.10115	8.2
165.12781	1.6
165.16383	1.3
175.11148	9.2
193.12247	46.4
195.39771	1.4
197.56403	1.1
209.11809	1.4
211.13292	52.3
247.24234	1.6
265.25253	8.0
267.15891	7.8
339.29013	4.9
457.36859	2.1
531.40399	5.3
549.41522	100.0
550.41803	6.6
554.93341	1.4
567.28290	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.0
55.01868	1.6
55.05511	31.9
57.03443	6.4
57.07079	8.3
59.55966	0.7
64.97411	0.7
65.03944	1.8
67.05505	37.3
69.03423	2.6
69.07067	34.6
69.83219	4.1
71.05001	4.4
71.08642	3.9
79.05493	19.0
81.03416	39.2
81.07054	42.5
83.04980	7.5
83.08620	35.1
85.02906	19.0
85.06534	2.3
85.10168	1.7
86.09705	1.2
87.04469	0.8
90.83179	0.7
91.05479	20.0
93.06439	0.4
93.07043	19.1
95.04966	16.1
95.08605	31.6
97.02876	1.0
97.06533	3.8
97.10172	14.2
98.20837	1.1
98.21391	1.6
99.08109	1.6
105.07030	14.7
107.04950	2.8
107.08593	9.6
109.06502	3.3
109.10145	13.1
111.04479	1.6
111.08083	8.0
111.11716	3.0
113.06037	1.2
113.09628	1.5
115.05473	1.1
117.07052	1.1
119.08584	13.3
121.06487	0.8
121.10146	14.1
123.08089	1.8
123.11681	5.7
125.00028	1.1
125.09618	1.7
125.13303	0.8
128.06264	0.7
129.06998	5.7
131.06996	0.7
131.08560	7.5
133.06525	2.2
133.10129	5.5
135.08096	0.7
135.11693	6.5
137.09619	1.2
137.13251	0.9
142.07799	1.4
145.10110	1.7
147.08075	1.5
147.11667	9.1
149.09659	3.6
149.13280	2.8
151.14825	1.3
156.32561	0.7
157.10100	7.4
159.11569	0.7
163.11218	0.7
163.14801	1.1
165.12769	2.6
165.16447	1.2
173.13303	0.9
175.11183	9.1
184.07391	4.6
193.10417	1.3
193.12244	38.3
211.13286	48.0
247.24303	1.7
249.14885	1.0
265.25238	8.0
267.15860	4.4
339.28876	3.9
457.36719	3.0
531.40527	2.7
549.41510	100.0
550.42139	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	549.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.5
55.01878	2.6
65.03929	6.6
67.05492	3.7
69.03424	4.6
69.07062	3.0
69.85254	10.2
70.91491	2.4
75.04473	2.7
78.04695	3.4
79.05481	8.5
81.03390	6.4
81.07056	4.3
85.02885	7.2
89.03942	2.4
89.55409	2.1
91.05006	2.8
91.05477	18.9
93.03339	2.9
93.07039	5.8
95.04953	8.0
97.02868	3.0
97.06519	3.2
98.20804	2.4
103.05463	10.9
105.03415	4.1
105.07040	14.1
106.04150	2.9
107.04955	18.8
109.06473	3.7
110.03696	4.8
111.04447	8.3
115.05443	7.5
117.06996	7.1
119.04939	12.6
121.06491	9.1
122.03632	10.0
123.04440	5.3
125.05976	7.4
129.07027	4.7
131.04950	19.2
133.02855	19.4
133.06502	6.2
135.04404	6.1
137.05980	100.0
143.04945	4.6
144.05663	2.9
145.06448	8.4
147.04393	12.7
149.05978	11.8
151.03917	14.4
151.07533	13.7
153.05489	17.0
153.06631	2.2
156.05708	4.6
157.06465	3.0
159.08029	6.0
160.05197	4.5
161.05981	16.8
162.06729	3.0
163.03911	4.8
163.07529	7.2
165.05463	5.8
165.08987	2.8
167.07034	69.7
173.05966	2.6
174.06798	6.6
175.07585	14.1
177.05478	9.1
177.09105	2.8
179.03334	2.8
179.07014	10.4
179.08385	2.6
181.05028	13.8
181.08600	9.2
187.07556	12.4
189.07007	3.8
189.09016	4.6
191.06961	13.3
193.08650	5.9
199.07578	4.2
201.05418	2.5
202.07820	2.8
203.06946	3.6
203.08623	3.2
205.08527	3.8
207.06412	4.8
209.08075	5.6
217.08630	6.6
219.08006	9.6
219.10025	3.2
221.09541	3.3
225.09052	3.6
229.08585	3.8
231.07944	4.7
233.09659	4.5
234.06700	4.1
235.07556	6.6
236.08275	4.8
240.07899	4.1
246.06812	2.8
247.07578	6.5
248.08362	3.7
249.09149	4.8
251.07047	2.9
251.10727	2.9
255.06519	3.7
258.05136	3.6
259.07602	2.6
261.09039	6.3
263.07004	5.9
263.10434	2.5
264.07758	8.1
265.08603	9.0
273.08899	3.0
275.07043	4.2
277.08478	8.0
278.09384	5.7
279.10217	6.5
280.10757	2.6
281.08307	2.4
286.04700	11.6
287.05289	3.2
289.08566	5.3
290.09430	2.4
291.10156	4.1
292.07285	4.5
293.08112	5.1
293.11481	6.4
294.08771	2.9
295.09677	6.7
296.10248	3.9
299.09189	5.2
301.07022	37.0
303.09879	3.0
305.08054	4.2
306.08661	5.5
307.09674	21.6
308.10181	4.3
309.11111	6.6
310.12195	2.9
311.09253	3.0
311.12796	3.2
315.12311	4.1
319.09479	3.5
320.10269	3.0
321.11130	9.2
324.10202	3.3
327.12067	6.6
329.10355	5.8
335.12817	3.4
337.10651	8.2
339.12247	28.7
340.12924	6.8
351.12228	10.8
353.13745	5.7
357.13193	8.5
363.12064	3.5
365.13699	4.3
369.13284	5.8
371.14853	5.2
377.13760	4.1
381.13510	2.9
387.14798	4.5
395.14789	5.8
399.14368	18.3
444.12820	2.7
463.13403	3.4
478.16446	12.1
479.16711	3.5
491.17194	3.3
501.19223	2.7
513.19922	3.4
517.18579	32.3
519.19983	3.0
531.20367	16.1
549.20746	34.5
549.34576	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	8.9
57.10126	6.8
65.03932	29.1
66.16206	5.7
70.07304	30.9
79.05486	24.0
81.03423	7.1
83.34293	6.8
85.02892	6.9
91.05465	42.0
93.03416	15.1
93.07047	6.8
95.04973	8.7
103.05476	10.2
105.07021	23.0
106.04223	14.2
107.04946	25.3
110.03664	18.8
111.04462	21.1
115.05457	15.9
119.04953	27.0
121.06541	6.6
123.04435	10.2
125.05982	24.6
131.04912	24.0
133.02905	9.6
133.06464	14.1
137.05978	85.2
144.05719	6.9
145.06493	11.3
147.04445	18.2
149.05988	17.8
151.03856	14.3
151.07523	16.1
153.05481	81.3
153.06651	11.3
158.11113	7.3
159.08070	13.0
161.05980	30.6
163.07507	9.0
165.05527	8.7
167.07054	89.0
172.05122	6.2
174.06729	21.6
175.07541	27.1
177.05435	17.2
179.07039	12.4
181.04933	14.8
186.06812	8.3
187.07590	26.1
191.07045	15.5
199.07648	12.2
203.08641	9.7
204.09669	6.4
207.06557	7.9
209.08044	15.1
216.07762	10.9
218.07283	13.5
219.08028	13.4
220.08865	8.8
229.08473	11.6
233.09656	10.0
235.07544	19.6
236.08250	12.4
246.06682	10.1
247.07571	15.8
248.08385	12.0
249.09171	11.3
251.10782	16.2
258.05154	12.8
261.05542	9.3
261.09058	13.0
262.06372	8.6
263.07092	10.1
264.07831	21.7
265.08560	17.7
276.07785	9.9
277.08643	16.3
278.09430	7.9
279.10254	13.0
286.04730	26.1
287.05621	8.1
289.08658	19.1
291.10004	14.6
293.08130	17.8
295.09839	10.3
300.14487	6.9
301.07022	100.0
307.09592	70.4
308.10416	6.6
311.12637	7.5
319.09494	15.2
320.10428	10.8
321.11200	25.5
323.12704	18.1
327.12302	9.8
339.12271	78.8
340.12973	21.2
351.12369	55.7
352.12802	9.6
353.13934	11.4
357.13248	7.3
517.41705	7.0
531.19757	11.5
549.20227	27.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.2
55.01876	6.8
57.03430	4.4
65.03921	11.3
67.05483	4.4
68.19450	3.4
69.03413	6.3
69.07078	4.1
71.51783	5.9
79.05499	11.8
79.09465	3.0
81.03402	5.0
81.07053	4.7
84.89742	2.8
85.02885	5.0
90.11689	2.9
91.05489	34.4
91.59651	3.0
93.03407	6.1
93.07043	3.5
94.04139	3.0
95.04972	10.0
96.97099	3.1
97.06553	6.8
103.05476	8.7
105.07036	14.8
106.04187	2.9
107.04945	20.6
109.02929	4.8
110.03699	6.2
111.04434	5.7
115.05445	8.0
117.07036	4.5
118.04179	3.6
119.04955	17.1
119.08580	5.5
121.02896	3.0
121.06525	10.6
122.03649	8.4
123.04437	7.3
124.05234	3.5
125.05987	11.2
128.06227	4.6
129.06999	9.3
131.04909	14.1
131.08456	3.8
133.02843	13.9
133.06487	12.7
134.03532	3.4
137.05974	100.0
137.83200	3.4
144.05699	4.5
145.06479	6.1
147.04437	19.3
147.08159	4.6
149.06021	11.7
151.03906	9.6
151.07564	16.3
153.05473	41.5
156.05617	4.0
159.08057	6.8
161.06023	17.6
162.06694	3.6
163.03931	6.7
163.07530	6.1
165.05518	6.8
167.07050	88.9
171.04356	3.5
172.05196	5.6
173.06049	7.1
174.06810	7.9
175.07617	18.3
177.05490	9.9
179.07050	12.7
179.08502	3.7
181.04958	11.9
181.08698	4.1
187.07547	17.8
189.09138	5.9
191.07086	7.6
202.07997	4.2
203.06879	4.9
205.06566	4.8
205.08571	5.9
206.07422	5.0
209.07985	6.3
216.07806	9.6
217.08539	5.9
219.08122	11.3
219.10104	3.9
223.07715	3.6
225.09055	6.5
229.08568	5.4
231.08034	4.2
233.05876	3.5
234.06761	7.6
235.07523	5.7
236.08472	4.3
247.07469	9.4
248.08289	4.6
249.09021	8.4
251.07153	4.5
251.10725	8.4
253.08678	7.3
261.09097	8.0
262.06079	3.3
263.06995	5.0
263.10672	5.1
264.07825	10.9
265.08606	12.1
267.10269	4.7
275.07233	3.4
276.07846	7.9
277.08630	10.3
278.09332	4.5
279.10162	9.4
281.08115	6.2
289.08527	4.6
291.10175	6.4
293.08197	10.1
293.11682	3.6
295.09558	4.7
297.11230	4.1
299.09012	3.7
306.08856	6.3
307.09607	34.6
308.10428	7.3
309.07755	3.5
309.11261	7.3
311.12646	5.4
313.10620	7.5
313.14096	4.5
315.12347	5.1
319.09589	5.3
320.10211	4.2
321.11243	14.0
323.12909	4.2
324.10034	4.2
324.13480	4.3
325.10779	5.1
327.12387	8.2
335.12881	6.1
336.13586	4.1
339.12363	39.4
340.13000	8.6
341.10037	5.2
341.13846	7.1
351.12280	16.4
353.13834	4.8
357.13177	4.8
365.13708	5.9
369.13330	8.2
371.15070	4.1
387.14575	7.0
395.14764	5.4
399.14285	7.6
478.16507	4.8
501.18793	4.7
517.18439	5.1
519.19958	5.1
531.19977	18.1
549.20453	65.3
549.40063	5.7
554.43622	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	549.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.5
55.01862	0.4
57.03442	1.6
65.03941	0.8
66.04728	0.4
67.05505	0.6
69.03434	3.1
69.07037	0.4
71.50931	0.3
71.51349	0.5
73.02923	1.5
79.05483	1.5
81.03415	1.7
81.07047	0.8
85.02905	5.1
87.04462	0.6
91.05490	1.7
94.04185	2.1
95.04993	2.3
97.02888	2.4
97.06525	0.5
99.04472	0.6
103.05476	0.6
105.07037	0.9
107.04955	3.1
109.02880	1.6
109.06506	0.9
115.03915	0.5
115.05431	1.5
117.07018	1.7
119.04946	0.5
119.08612	0.5
121.06506	0.6
122.03636	5.9
123.04398	1.2
123.08064	0.5
125.02363	1.0
127.03921	1.8
131.04929	0.5
131.08531	0.5
133.10143	1.0
137.05975	100.0
138.06342	0.5
142.02664	0.7
143.04919	3.2
144.05844	0.3
145.02840	1.2
145.04884	0.7
145.06482	2.5
146.03209	0.8
147.08034	0.5
149.05995	1.0
151.03903	4.9
151.11157	0.7
152.04327	0.4
153.05487	0.9
155.06050	0.9
161.05931	0.5
163.11201	0.9
165.05559	0.4
167.07050	9.5
171.06517	0.6
173.05991	3.6
173.13202	0.3
175.03889	0.4
175.07527	0.9
177.05470	4.0
178.05772	2.5
181.04947	14.0
181.12218	0.5
189.12769	0.9
191.14319	0.9
193.05063	0.5
195.06557	1.4
203.07080	0.9
205.08620	2.4
207.13797	4.5
221.08408	0.5
233.08124	1.4
235.09625	3.8
255.15938	1.5
281.07767	0.5
357.13312	14.3
387.14395	9.0
519.18707	0.9
549.19672	39.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.4
55.01861	0.7
55.66052	0.3
65.03933	1.1
66.04723	0.5
67.05485	0.4
69.03425	2.0
69.54401	1.2
69.54807	0.8
73.02911	0.4
79.05489	1.0
81.03416	1.0
81.61322	0.3
85.02916	3.3
86.09708	0.4
87.04444	0.4
91.05471	1.7
93.03414	0.3
94.04183	2.9
95.04964	0.3
97.02883	1.4
99.04436	0.5
103.05460	1.3
105.06978	0.8
107.04939	1.3
109.02895	0.7
109.06527	0.3
110.03649	0.4
111.04391	0.3
115.05451	1.9
117.07035	1.8
119.04987	0.3
122.03645	6.3
122.04498	0.5
123.04426	0.7
127.03918	0.5
129.06946	0.4
131.04933	1.2
133.06471	0.6
133.10126	0.3
135.04382	0.3
137.05971	100.0
138.03160	0.5
138.06305	0.7
142.02525	0.3
143.04893	3.4
145.06454	2.7
147.04407	0.3
151.03918	3.4
151.07533	0.4
153.05475	0.4
155.05981	0.7
158.12181	0.3
161.05956	1.4
163.07564	0.8
167.07019	10.0
171.06584	0.7
173.05972	3.6
175.07573	1.4
177.05475	0.7
181.04950	14.3
187.07568	0.6
189.05420	0.4
191.07004	1.8
203.07027	1.0
205.08604	2.6
223.86005	0.3
224.98169	0.3
233.05878	0.3
233.08138	1.3
235.09560	3.0
258.05276	1.7
286.04672	4.5
286.07294	0.4
297.11176	0.3
301.07065	13.0
302.07327	0.5
307.09695	0.5
321.11411	0.4
325.10648	0.3
335.09525	0.4
351.12326	0.4
353.67581	0.3
355.11560	0.4
357.13312	15.8
369.13269	0.4
387.14371	7.9
387.19263	0.5
388.14975	0.3
399.14075	0.3
445.12656	0.4
475.76190	0.3
478.16110	1.0
517.18420	1.9
519.19208	0.6
531.19934	0.6
549.19617	39.0
550.19946	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66906	0.3
53.03931	0.3
55.01855	0.4
63.84218	0.3
65.03928	1.1
67.05501	0.5
69.03438	2.1
69.77775	0.9
69.78212	1.0
73.02924	0.5
79.05486	1.0
81.03403	0.8
82.04162	0.4
85.02901	3.2
91.05473	0.8
91.34204	0.3
93.03407	0.3
94.04183	2.7
95.04951	0.8
97.02885	1.3
99.04428	0.4
103.05465	1.0
105.07014	0.3
107.04958	1.5
109.02886	0.5
109.49883	0.3
110.03665	0.4
111.04440	0.5
115.05482	1.5
117.07005	1.5
119.04904	0.6
122.03642	6.1
123.04440	0.5
124.05182	0.4
125.06007	0.4
127.03944	0.5
131.04926	1.2
132.16388	0.3
133.06499	0.4
135.04419	0.4
135.08310	0.3
137.05974	100.0
138.06342	0.4
139.03824	0.3
143.04921	3.5
145.06487	1.9
147.04352	0.4
149.05956	0.4
151.03894	3.8
153.05490	0.7
155.06052	0.7
161.05952	0.7
163.03894	0.7
163.07520	0.5
167.07043	9.3
167.08449	0.6
171.06540	0.9
173.05986	3.8
175.07521	1.4
181.04948	15.5
181.08559	0.4
191.07069	1.5
203.07043	1.0
205.08530	2.3
209.07988	0.4
233.08101	1.0
235.09657	2.2
279.10513	0.3
281.55283	0.3
287.05170	0.3
307.09631	0.4
325.10849	0.5
327.12341	0.4
351.12512	0.3
353.87769	0.3
357.13324	13.8
369.13223	0.6
387.14371	8.4
387.19260	0.5
433.66934	0.3
517.18658	1.2
519.18872	0.8
549.19666	36.5
550.20154	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.5
55.01861	0.6
57.03420	0.6
63.40918	0.2
65.03934	1.0
66.04698	0.2
67.05493	0.6
67.11324	0.2
69.03437	3.0
69.07061	0.3
70.06593	0.3
73.02908	0.7
75.29861	0.2
78.04705	0.2
79.05482	0.9
79.79144	0.2
81.03413	1.1
81.07051	0.5
82.04211	0.3
85.02431	0.4
85.02909	4.0
87.04443	0.4
88.02191	0.3
91.05479	1.2
93.07050	0.4
94.04182	2.6
95.04929	0.6
95.19151	0.2
97.02911	1.1
97.06497	0.3
98.21529	0.5
99.04454	0.4
101.02412	0.3
103.05469	1.0
105.07020	0.4
106.06587	0.2
107.04951	0.8
107.08608	0.5
109.02886	0.7
109.06516	0.2
110.03672	0.4
115.05464	1.6
117.07027	1.6
119.08575	0.5
121.10185	0.2
122.03645	6.7
123.04482	0.3
123.08127	0.2
124.05170	0.3
125.06005	0.4
127.03920	0.9
131.04926	0.7
133.06502	0.4
135.04413	0.6
137.05977	100.0
138.06320	0.4
142.02628	0.3
143.04926	3.0
145.05026	0.4
145.06490	2.4
147.04434	0.4
147.08020	0.5
149.06000	0.3
151.03899	2.3
151.07561	0.4
153.05444	0.6
155.06046	0.7
160.05286	0.3
161.06020	0.7
163.07498	0.3
165.05507	0.3
167.07037	9.0
171.04428	0.4
171.06560	1.0
173.05988	3.5
175.07585	1.1
177.05519	0.4
181.04958	14.5
187.07513	0.3
189.05519	0.4
191.07048	0.7
203.07088	1.2
205.08585	2.6
207.13748	0.6
221.08084	0.4
229.67506	0.3
233.08122	1.0
235.07527	0.4
235.09644	3.1
236.20233	0.3
237.20482	0.6
254.08447	0.5
255.08835	0.3
280.06870	0.2
297.11526	0.3
325.10779	0.4
339.12299	0.3
342.12024	0.3
357.13333	16.3
387.14417	8.6
517.13800	0.3
519.18427	0.6
549.19666	41.9
550.19910	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	1.3
66.04743	0.4
67.05547	0.4
69.03429	1.5
69.81221	2.6
70.06598	0.5
72.08135	0.5
81.03422	0.9
81.07024	0.7
85.02888	3.1
88.03885	0.4
91.05457	0.8
95.04984	0.7
97.02885	0.8
98.21471	0.6
99.04453	0.6
101.00119	0.5
105.07021	0.8
105.22414	0.4
107.04939	1.3
109.02834	0.7
119.08524	0.4
121.06509	0.8
121.10170	0.5
122.03667	0.6
123.08054	1.2
127.03808	0.6
131.08557	0.5
133.10132	0.5
135.08102	0.5
137.05984	6.0
138.06335	0.5
145.04958	0.7
147.04362	0.8
151.03886	0.6
156.01207	0.4
163.11205	1.0
167.07069	1.8
181.05061	0.8
185.04236	3.0
189.05237	12.4
189.12726	0.7
190.05991	2.1
191.06931	0.5
191.14343	0.7
207.13806	6.2
225.14839	0.5
237.73967	0.5
264.09607	0.5
279.36597	0.4
335.10837	0.5
352.11346	1.2
353.11975	0.7
357.13556	0.8
365.11819	0.7
387.14212	8.3
549.19434	100.0
550.20392	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	549.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.7
55.01864	0.7
57.03428	1.3
63.43557	0.4
65.03936	1.3
67.05496	0.7
69.03427	2.9
70.61657	0.6
70.61992	0.8
71.04976	0.5
73.02909	0.7
79.05485	1.4
81.03387	0.9
81.07057	0.6
85.02908	4.7
91.05470	1.5
93.03340	0.3
94.04199	2.6
95.04972	0.8
97.02868	1.9
97.06499	0.5
98.21365	0.4
103.05466	0.8
105.07024	1.0
107.04950	1.5
107.08582	0.5
109.02878	1.0
109.06518	0.7
110.03634	0.4
111.04417	0.5
115.05468	2.1
117.07010	1.3
119.08555	0.3
121.06484	0.7
121.10155	0.4
122.03655	7.0
123.08059	0.5
125.06020	0.4
127.03943	1.2
131.08615	0.7
133.10127	1.1
135.04422	1.0
137.05975	100.0
138.06288	0.9
141.05421	0.4
143.04897	3.2
145.04971	0.9
145.06454	2.1
147.08035	0.5
148.07573	0.3
151.03903	3.1
151.11153	0.4
155.06070	0.6
161.05980	0.7
163.11208	0.6
165.05519	0.8
167.07048	9.5
171.06544	0.8
173.05986	3.1
175.07547	1.1
179.06992	0.6
181.04947	13.9
182.05315	0.5
189.05365	0.6
189.12679	0.5
191.06981	0.4
191.14241	0.7
203.07031	1.1
205.08600	1.6
207.13805	5.8
233.08060	0.9
235.09642	3.2
248.11166	0.4
249.88788	0.4
280.10593	0.6
297.11359	0.5
325.10764	0.6
344.91013	0.4
357.08902	0.8
357.13315	15.2
387.14337	9.2
399.14786	0.4
519.18561	1.0
549.19653	41.1
550.19922	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98475	0.2
54.28223	0.1
57.03426	0.2
65.03933	0.2
67.01848	0.7
67.05502	0.2
68.99802	0.6
69.03412	0.5
70.27543	0.9
70.44241	0.2
71.04984	0.4
75.65573	0.2
79.05470	0.3
79.59802	0.1
81.03400	0.6
81.07037	0.4
83.04966	0.4
85.02892	0.9
86.09698	0.3
86.39743	0.2
89.06015	0.6
91.05457	0.7
93.07043	0.2
94.04217	0.2
95.04948	0.5
95.08578	0.3
97.02873	0.7
97.06509	0.2
103.05463	0.4
105.07014	0.7
107.04953	0.5
109.02868	0.6
115.05432	0.3
117.06992	0.3
119.04926	1.6
121.02834	0.6
121.06471	0.2
122.03639	0.6
127.03882	0.5
128.06236	0.2
131.04906	0.5
133.02849	0.4
135.04393	0.7
137.02361	0.3
137.05975	10.6
143.04903	0.4
144.05692	0.2
145.02834	0.6
145.04855	0.3
145.06476	0.3
149.05949	0.4
151.03807	0.4
151.07585	0.3
153.01816	5.3
153.05443	0.2
159.07951	0.2
159.11581	0.2
161.02281	0.2
161.05966	0.4
161.09599	0.2
163.03856	0.6
163.07446	0.2
164.04303	0.2
165.05481	0.4
167.07011	2.4
171.02861	1.0
173.05989	0.8
175.07559	0.4
179.07034	0.3
181.04947	1.9
184.05031	0.2
187.07582	0.3
189.12709	0.3
191.06998	0.4
193.08513	0.2
203.07007	0.4
205.08578	0.4
219.08084	0.3
225.05435	0.4
229.04996	0.3
235.09651	0.2
243.06624	0.2
258.05151	2.0
261.08951	0.2
271.05994	100.0
272.06296	2.1
279.09940	0.2
286.04681	4.9
287.05481	24.4
288.05804	0.5
291.10153	0.3
295.09851	0.2
301.07053	14.8
302.07257	0.3
307.09540	0.3
313.06952	0.2
321.11169	0.2
323.12646	0.3
339.12466	0.4
347.12521	0.3
351.12173	0.4
357.13217	1.4
365.13977	0.2
369.13287	0.6
387.14603	0.9
463.12378	0.3
478.16229	0.5
531.14697	0.6
549.19598	2.5
549.34808	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	4.2
61.02905	4.6
67.05490	8.7
69.03420	10.3
70.06599	5.0
71.51910	4.5
73.02908	7.4
79.05497	5.8
81.03422	5.9
81.07072	8.7
85.02901	15.0
86.09710	5.5
91.05460	8.7
94.04192	4.3
95.04945	6.9
95.08606	10.6
97.02898	12.9
98.70930	3.5
103.05502	4.2
105.07020	8.6
107.08588	9.2
109.10140	12.5
115.03937	7.3
119.05002	4.5
119.08580	7.7
121.10172	9.6
122.03605	10.1
123.04463	5.2
127.03928	8.3
131.04930	16.2
133.05005	4.4
133.06496	4.2
135.11716	10.4
137.05975	93.9
137.09604	21.2
143.09807	4.1
145.05011	9.8
145.06439	6.9
146.67244	4.0
147.04369	6.1
149.13260	6.7
151.03903	5.4
151.07558	7.3
153.05556	4.3
159.04214	3.9
161.05981	11.3
163.03941	4.8
163.07472	4.4
167.07072	16.4
173.05974	4.7
175.07539	6.0
175.14838	4.8
179.07008	10.6
181.04938	10.8
184.07333	5.0
187.07567	4.4
193.15897	36.4
195.08118	3.9
199.07599	5.8
205.08554	4.7
236.20142	10.0
291.10025	6.2
295.10110	5.5
321.11096	6.2
323.12704	4.6
339.12460	5.2
347.12827	4.9
353.13626	5.2
357.00494	5.2
357.13132	4.3
398.72037	5.1
548.21875	100.0
548.29974	6.4
549.20007	25.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1602
Annotation	(2R,3R)-3,5,7,4'-Tetrahydroxyflavanone 7-(6-[4-Hydroxy-2-methylenebutanoyl]glucoside)
Peak:m/z	Relative Intensity
52.98475	0.2
54.28223	0.1
57.03426	0.2
65.03933	0.2
67.01848	0.7
67.05502	0.2
68.99802	0.6
69.03412	0.5
70.27543	0.9
70.44241	0.2
71.04984	0.4
75.65573	0.2
79.05470	0.3
79.59802	0.1
81.03400	0.6
81.07037	0.4
83.04966	0.4
85.02892	0.9
86.09698	0.3
86.39743	0.2
89.06015	0.6
91.05457	0.7
93.07043	0.2
94.04217	0.2
95.04948	0.5
95.08578	0.3
97.02873	0.7
97.06509	0.2
103.05463	0.4
105.07014	0.7
107.04953	0.5
109.02868	0.6
115.05432	0.3
117.06992	0.3
119.04926	1.6
121.02834	0.6
121.06471	0.2
122.03639	0.6
127.03882	0.5
128.06236	0.2
131.04906	0.5
133.02849	0.4
135.04393	0.7
137.02361	0.3
137.05975	10.6
143.04903	0.4
144.05692	0.2
145.02834	0.6
145.04855	0.3
145.06476	0.3
149.05949	0.4
151.03807	0.4
151.07585	0.3
153.01816	5.3
153.05443	0.2
159.07951	0.2
159.11581	0.2
161.02281	0.2
161.05966	0.4
161.09599	0.2
163.03856	0.6
163.07446	0.2
164.04303	0.2
165.05481	0.4
167.07011	2.4
171.02861	1.0
173.05989	0.8
175.07559	0.4
179.07034	0.3
181.04947	1.9
184.05031	0.2
187.07582	0.3
189.12709	0.3
191.06998	0.4
193.08513	0.2
203.07007	0.4
205.08578	0.4
219.08084	0.3
225.05435	0.4
229.04996	0.3
235.09651	0.2
243.06624	0.2
258.05151	2.0
261.08951	0.2
271.05994	100.0
272.06296	2.1
279.09940	0.2
286.04681	4.9
287.05481	24.4
288.05804	0.5
291.10153	0.3
295.09851	0.2
301.07053	14.8
302.07257	0.3
307.09540	0.3
313.06952	0.2
321.11169	0.2
323.12646	0.3
339.12466	0.4
347.12521	0.3
351.12173	0.4
357.13217	1.4
365.13977	0.2
369.13287	0.6
387.14603	0.9
463.12378	0.3
478.16229	0.5
531.14697	0.6
549.19598	2.5
549.34808	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2983
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.2
55.05505	0.6
56.05030	0.6
57.03441	0.2
58.06626	0.5
60.08161	5.9
65.76043	0.2
67.05495	0.9
69.03416	0.4
69.07058	0.6
70.06594	0.2
71.07371	3.0
79.05499	1.1
80.97388	0.1
81.03421	0.6
81.07060	0.5
83.04981	0.5
83.08593	0.2
85.46392	0.2
86.09703	31.4
86.65329	0.2
91.05482	0.6
93.07023	0.5
95.04970	0.8
95.08559	0.2
96.05329	0.2
97.06526	3.0
98.06868	0.6
98.98459	3.4
104.10059	0.3
104.10739	4.3
105.07021	0.3
109.02854	0.3
117.07054	0.2
124.99998	21.3
129.07024	0.2
131.05014	0.2
133.10179	0.2
135.11639	0.2
143.01022	0.4
145.06377	0.2
146.49399	0.2
161.05951	0.3
163.03847	0.3
165.09169	0.2
173.05981	0.3
184.07333	100.0
185.07669	0.7
189.09062	0.4
194.12535	0.2
195.08212	0.2
196.08488	0.2
213.09146	0.2
214.09464	0.2
215.06993	0.5
216.07378	0.2
241.08429	0.3
258.11121	0.2
259.09589	0.5
260.09985	0.5
284.13855	0.2
310.15149	0.3
311.12842	0.3
312.13004	0.6
314.14716	0.2
327.15826	0.3
337.14456	0.2
338.14554	0.5
355.15372	0.6
356.15738	1.8
374.16492	0.2
433.40173	0.2
530.21277	0.3
530.28320	1.3
548.21790	0.8
548.29749	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	548.2981
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.2
55.05510	0.4
55.55768	0.2
56.05026	0.6
58.06624	0.6
60.08161	7.4
67.05495	0.9
69.07059	0.7
70.06626	0.2
71.07372	3.1
71.50329	0.2
79.05487	0.8
81.03440	0.3
81.07050	0.9
85.62225	0.2
86.09704	31.9
91.05479	0.5
93.07050	0.3
95.04964	0.7
95.08619	0.3
97.06525	0.6
98.98460	3.0
98.99057	0.3
104.10738	3.7
105.07023	0.5
107.04932	0.3
119.08606	0.3
124.99995	21.8
131.08444	0.2
133.10083	0.3
135.04422	0.3
143.01074	0.3
147.26030	0.2
163.03896	0.8
180.81218	0.2
184.07332	100.0
185.07704	0.8
258.10980	0.2
259.09674	0.3
294.21246	0.3
311.12766	0.2
337.14343	0.3
338.14447	0.6
356.15689	0.5
356.93408	0.2
358.91138	0.2
374.51599	0.3
457.20889	0.2
468.21518	0.3
530.27655	0.8
548.29956	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	547.399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.9
55.01865	6.3
55.05510	35.8
57.03421	6.7
57.07064	9.1
57.40792	2.2
65.03948	2.7
67.05502	52.6
69.07070	31.3
71.04990	4.7
71.08625	5.0
71.51077	2.2
79.05491	35.8
80.56082	1.8
81.03402	14.2
81.07054	55.8
83.01362	3.6
83.04991	10.3
83.08618	29.4
85.02917	4.0
85.06514	4.5
85.10152	2.8
91.05470	20.2
93.07042	39.1
95.04969	12.0
95.08602	40.9
96.65802	2.3
97.06514	5.4
97.10188	17.0
99.08097	3.4
105.07023	17.2
107.04958	4.5
107.08596	26.0
109.06526	5.1
109.10151	21.8
111.08083	5.4
111.11732	4.4
117.07040	7.6
119.08592	16.5
121.06467	4.6
121.10138	18.1
123.08080	4.8
123.11689	4.2
125.05977	2.0
125.09631	8.9
129.07016	3.1
131.08557	9.0
133.10136	9.4
135.08026	2.7
135.11679	21.5
137.09726	2.0
143.08595	3.3
145.10123	18.5
147.08032	3.0
149.13235	5.3
151.14810	2.8
151.43517	2.3
153.12766	3.4
155.26277	2.1
157.10114	4.5
159.11703	3.5
163.11180	25.2
163.14815	3.3
169.10121	3.7
173.09555	2.8
181.12201	3.0
183.11705	2.5
189.11191	6.4
191.10612	2.7
193.12291	4.8
209.11797	5.9
211.13251	2.7
227.12781	23.7
257.36185	2.3
263.23749	4.0
265.25262	8.6
267.16074	3.6
303.26743	8.4
305.13278	2.2
337.27414	3.9
437.34079	2.8
455.35123	7.5
473.35941	3.9
529.38782	13.0
547.40289	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.1
55.05516	1.9
57.03420	1.5
57.73420	1.0
65.03930	3.0
67.05504	12.9
69.03418	3.7
69.07070	8.8
69.65537	4.3
69.65969	3.5
79.05489	13.2
81.03429	1.7
81.07055	2.0
83.04964	5.6
91.05482	1.8
93.03387	1.2
93.07001	1.1
95.04964	21.5
97.06526	84.8
105.07010	2.2
111.04428	4.9
113.41662	1.1
115.05450	1.3
123.04415	1.6
129.05444	1.8
129.06987	1.9
131.08534	1.7
135.04414	2.0
137.05943	1.3
141.06963	2.0
141.45038	1.1
142.07787	1.4
143.08519	1.5
145.06487	1.9
145.10164	1.2
147.11627	1.5
153.01813	1.9
156.05859	1.3
157.06531	1.4
157.10126	1.7
159.08080	2.5
160.05186	1.5
161.05969	4.7
163.03885	6.9
165.07008	1.3
167.08559	4.3
169.06451	2.1
171.03055	1.1
171.08105	2.4
173.05939	3.1
174.06784	2.8
175.07512	2.7
177.05595	1.1
183.08020	1.7
184.07335	2.2
185.05859	1.7
185.09587	2.1
186.06944	1.5
187.07520	4.3
189.09090	8.5
191.07071	1.8
195.08093	6.4
197.05965	2.2
199.07507	7.0
201.05515	1.5
201.09154	1.8
203.07047	1.7
209.09636	1.4
211.07448	2.8
212.08336	2.1
213.09067	9.2
214.06218	3.6
215.07069	6.0
215.10660	1.9
217.08676	1.9
223.07678	2.1
225.05504	1.2
225.09053	2.9
227.07057	2.1
227.10722	1.3
229.04907	1.3
231.10133	4.3
239.07030	1.8
241.08659	6.7
241.12244	5.9
255.10162	2.1
257.04471	8.1
257.08194	1.8
257.11664	2.1
258.04959	8.9
259.05173	9.8
259.09589	12.2
260.05997	2.4
261.11456	1.5
265.12274	2.4
267.13809	2.5
269.08087	2.0
269.11789	1.8
271.13177	2.2
277.10745	1.5
281.11514	1.1
283.13293	3.8
285.14816	4.0
286.04672	4.5
287.05405	25.0
287.12659	1.5
288.05719	22.6
289.06039	17.5
299.12772	4.2
305.10199	3.1
309.14816	8.3
311.12790	30.8
311.16196	1.7
313.14377	9.3
327.15771	7.3
329.13803	2.5
337.14374	11.4
345.17310	1.4
355.15378	76.3
373.16437	18.7
383.11212	27.8
384.11566	35.2
384.15530	1.0
385.11823	100.0
404.15991	1.2
511.19434	1.5
529.20392	3.1
547.21863	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	546.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94709	4.7
55.05501	14.6
57.03437	5.4
60.08114	5.0
60.78989	4.6
67.05498	29.0
69.03433	5.6
69.07046	14.4
70.14546	5.5
71.51954	6.1
79.05484	19.6
81.03403	15.0
81.07055	24.1
83.04974	8.5
85.02896	5.9
86.09666	6.0
91.05459	27.3
93.07038	23.4
95.04935	7.8
95.08589	22.3
97.06525	34.9
105.07026	22.1
107.08584	14.3
109.06528	6.8
109.10166	9.4
119.08553	16.3
121.10136	7.3
123.08068	6.4
127.03883	5.6
129.06952	6.8
131.08549	12.5
133.10120	16.9
135.11682	6.2
137.05910	5.0
139.53947	5.0
143.08572	5.8
145.10138	12.5
147.11632	10.1
149.09518	6.8
157.09991	6.9
159.11707	7.1
173.09581	7.9
173.13333	6.3
187.07350	5.5
193.12222	7.0
216.16795	5.3
259.09576	9.5
267.15869	10.4
275.20062	42.4
283.15381	9.9
287.05066	7.2
293.21173	10.3
337.14264	12.1
349.23697	100.0
355.15488	8.8
367.24567	25.1
384.11496	23.2
405.29730	5.7
419.24081	5.4
493.27737	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	547.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.1
55.05499	1.2
55.90054	1.0
67.05500	3.6
67.39976	1.1
74.21008	1.1
79.05482	1.5
81.07037	4.9
90.33453	1.2
91.59995	1.0
93.07025	1.5
95.04936	1.5
95.08607	1.4
96.97951	1.0
98.21537	2.6
101.50890	1.0
102.39166	1.0
105.07047	1.8
115.05432	3.1
129.06969	1.6
137.05981	1.8
141.06984	1.3
151.07500	1.2
152.06163	2.0
153.06985	12.4
155.08461	1.2
161.05933	4.5
165.06908	1.3
167.08478	2.0
169.06372	1.4
173.05920	7.1
175.12444	1.3
181.06471	15.6
185.06033	1.5
187.07521	1.3
189.05466	3.6
195.08067	3.9
197.05989	3.2
197.23474	1.3
199.07501	17.0
201.05438	4.3
209.09512	1.2
211.07487	3.4
213.08943	1.7
215.07053	2.0
217.04948	38.2
223.07579	1.3
225.05467	8.5
225.09106	1.4
227.07095	2.1
239.06985	3.1
243.06487	2.6
253.08578	2.4
271.06046	2.4
291.13760	2.8
309.14819	2.7
333.13309	1.2
337.14343	16.8
355.15384	100.0
356.15472	2.3
364.30850	1.4
373.16501	9.1
385.11880	1.6
465.19363	1.3
511.19507	3.0
547.18658	1.5
547.34521	7.8
549.67883	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	0.9
55.01862	2.0
55.05508	5.9
57.03429	3.8
57.07055	2.3
62.06076	1.2
63.31810	0.6
67.05504	8.8
69.07059	7.2
70.22923	1.1
70.23308	1.2
71.04961	0.9
71.08624	4.7
79.05495	5.6
81.03399	0.6
81.06604	1.2
81.07051	12.6
83.04951	1.3
83.08617	4.3
85.06536	1.1
91.05482	5.2
93.07038	6.8
95.04948	1.3
95.08606	9.1
97.06522	3.3
97.10155	1.4
98.98458	3.6
99.08080	3.2
105.07027	6.4
107.08578	8.0
109.06510	7.8
109.10162	4.0
111.08064	1.8
117.07011	1.3
119.08582	10.1
121.10129	5.4
123.08064	15.4
123.11703	1.1
123.60201	0.5
125.09612	1.8
129.06976	0.8
131.08556	3.1
133.10121	8.5
135.08057	7.2
135.11671	3.1
137.09619	1.2
137.13258	0.9
143.08521	0.7
145.10097	4.1
147.08018	0.7
147.11658	6.4
149.09618	2.3
149.13231	2.1
151.11197	1.0
151.14862	0.7
157.10155	1.3
159.11705	4.4
161.09657	1.3
161.13254	1.5
165.12737	1.4
167.14342	1.9
171.11661	0.7
173.13297	1.4
175.14839	6.2
177.12686	3.6
177.16400	1.0
179.14297	24.7
189.16483	0.6
191.14369	1.1
193.15826	2.2
199.14804	0.7
202.08969	0.5
205.15829	3.7
216.06306	1.0
219.17397	0.6
223.16925	0.8
229.16029	0.5
231.15868	0.8
252.56111	0.6
263.20078	1.4
275.20123	1.5
289.21561	6.3
293.21078	2.1
303.26791	2.4
319.22711	1.0
331.26297	12.9
337.23843	1.1
347.25723	0.8
349.27380	6.6
351.80490	0.6
357.28146	0.8
361.27289	1.3
369.27881	0.8
374.30511	2.2
375.29022	2.3
383.10416	0.7
384.11765	1.1
387.28983	7.4
405.29977	100.0
406.30139	3.5
485.27036	1.2
489.58731	0.8
503.27615	6.1
546.31293	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.5
55.05505	5.0
57.03436	3.9
57.07074	1.2
67.05499	7.7
69.03433	1.1
69.07071	7.1
70.80322	2.1
71.04977	1.0
71.08631	4.4
79.05492	5.7
81.06596	1.0
81.07057	12.6
83.04974	1.1
83.08624	3.4
85.06513	0.9
86.09702	1.1
91.05488	4.4
93.07030	6.9
95.04946	1.5
95.08602	9.1
97.06525	3.3
97.10161	1.9
98.98469	2.4
99.08100	2.4
105.07050	6.6
107.08588	7.5
109.06521	6.0
109.10156	3.9
111.08096	1.1
117.07050	1.3
119.08577	8.4
121.05453	0.7
121.06470	1.0
121.10143	4.8
123.08070	13.1
123.11691	1.7
125.09663	1.7
129.07001	1.1
131.08531	2.4
133.10110	7.0
135.08052	7.8
135.11684	1.4
137.09625	1.4
137.13321	0.8
143.08560	1.3
145.10118	3.5
147.11661	5.4
149.09608	1.8
149.13243	2.2
151.11163	0.7
157.10130	1.7
159.11678	2.3
161.09654	1.9
161.13231	1.5
163.11145	0.8
163.14964	0.7
165.12703	1.4
167.14372	0.9
171.11562	0.9
173.13353	1.7
173.75398	0.7
175.14827	7.0
177.12788	2.7
179.14307	19.5
183.11644	0.7
184.07314	3.7
187.14836	0.7
193.15892	1.8
197.61656	0.7
201.16293	0.8
205.15834	2.6
216.06357	2.2
219.17406	0.9
231.15846	1.5
263.20081	1.1
267.15894	0.7
274.36493	0.8
275.20105	1.3
289.21567	7.1
293.21167	1.7
303.26862	1.1
319.22665	1.0
331.26315	10.4
337.23520	1.8
347.25909	1.1
349.27417	6.0
361.27252	1.1
369.28006	0.8
374.30182	0.8
375.28879	2.9
383.11005	1.1
384.11667	4.2
387.28955	4.7
405.29996	100.0
406.30334	2.0
485.26437	1.4
503.27811	5.7
546.31207	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.319
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	2.0
55.05514	5.4
57.03444	3.9
57.07064	1.8
60.06585	0.7
62.06087	0.9
63.23458	0.7
64.70820	0.6
67.05504	7.7
69.07064	7.2
71.04990	1.3
71.08633	4.8
79.05479	5.3
81.07050	12.6
83.04953	1.5
83.08622	3.5
85.06544	0.9
88.23167	0.7
91.05488	4.4
93.07053	7.3
95.04961	1.2
95.08600	10.6
97.06500	2.1
97.10168	0.8
98.98454	3.7
99.08089	2.9
102.73696	0.7
104.49046	0.6
105.07030	8.2
107.08598	8.4
108.73606	0.7
109.06525	7.5
109.10188	3.7
111.08071	1.9
112.60311	0.6
115.33772	0.6
117.07050	1.1
119.08592	9.3
121.06494	0.7
121.10138	4.7
121.16499	0.7
123.08059	14.0
123.11694	1.8
125.09621	1.2
131.08568	2.8
133.06474	1.0
133.10121	8.0
135.08058	7.6
135.11664	2.2
137.05045	0.8
137.09650	1.8
137.13293	0.8
143.08525	0.9
145.10136	4.0
147.11702	5.4
149.09624	2.3
149.13255	2.8
151.11147	0.8
157.10172	0.9
159.11703	2.6
161.09639	1.0
161.13272	1.4
163.11160	1.1
165.12794	1.4
167.14299	1.5
171.11690	0.8
173.13243	1.5
175.11201	0.8
175.14801	7.2
177.12764	3.1
179.14308	20.7
187.14879	0.7
193.16000	1.8
205.15880	3.3
216.06287	1.5
231.15942	1.1
263.20081	1.9
275.19958	1.8
281.21179	0.8
289.21637	7.0
293.21091	2.7
303.26917	1.3
319.22644	1.8
331.26337	13.0
347.25809	0.9
349.23831	1.0
349.27454	5.6
361.26901	0.9
369.27811	1.5
374.30563	2.9
375.28979	2.3
387.28790	5.1
405.29996	100.0
406.30182	2.8
485.26761	1.0
503.27777	6.1
546.32153	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82952	1.0
55.01849	1.8
57.03440	2.7
61.02913	3.3
69.03429	10.8
69.71054	1.5
69.71449	6.4
72.04494	1.8
73.02921	2.6
79.05453	1.0
81.03412	3.8
84.04501	1.2
85.02441	1.7
85.02906	18.4
85.36302	1.0
87.04465	3.0
91.03950	1.3
91.05462	1.5
93.07024	1.3
95.82536	1.2
97.02900	7.5
98.06004	1.1
99.04454	1.7
103.05429	2.0
105.07034	1.9
105.63609	1.0
107.04982	1.8
109.02868	2.9
110.06042	2.2
114.05519	2.2
115.05376	1.5
118.06526	2.3
120.08109	1.1
127.03893	4.6
129.03394	1.3
130.05014	1.1
130.06509	1.3
131.04921	4.6
133.06468	3.6
134.05981	1.6
135.04410	1.7
139.03903	3.1
144.06535	3.5
145.02873	4.0
145.04971	2.5
145.06389	1.0
146.06050	1.6
147.04369	1.1
156.08044	1.1
158.06007	1.3
159.04405	4.5
160.07538	1.3
161.05986	3.2
162.05511	2.9
163.03926	2.9
165.05432	1.6
169.06503	1.5
171.04309	1.2
172.07477	1.1
176.07086	2.8
177.05467	9.9
181.06465	5.6
185.06099	1.0
188.07097	2.7
189.05447	38.1
191.07050	3.0
193.08548	1.3
195.04521	1.7
198.42561	1.0
199.07628	1.2
200.07100	1.7
202.06384	1.6
202.08606	1.8
203.07068	2.4
204.06615	2.0
209.05972	3.6
215.07088	2.0
218.08133	3.8
227.07037	7.3
229.04993	2.4
237.05534	1.7
242.08131	1.8
243.06642	3.0
246.07712	2.0
255.06401	2.0
260.09109	1.3
262.25330	1.1
264.08636	9.9
266.10138	0.9
267.06735	1.2
269.08054	2.0
270.08017	1.5
272.09219	1.4
274.07220	1.4
274.10703	2.1
274.77039	1.0
278.10239	14.0
287.09137	20.1
288.08875	3.3
290.10318	4.1
292.11749	1.4
296.11386	8.2
303.08841	1.6
304.11758	42.0
306.09647	6.2
320.11273	3.8
321.09595	1.6
322.12924	6.7
324.10913	2.3
334.09198	10.1
338.12329	15.2
348.10791	11.3
352.10239	11.4
356.13516	5.7
366.11823	52.2
384.12860	100.0
484.18314	1.2
537.44653	1.1
546.18140	62.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3834
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42557	1.3
53.03933	5.0
55.01851	3.3
55.05273	1.9
55.05513	24.8
57.03429	10.1
57.07065	2.2
65.03922	3.3
67.05502	54.2
69.03426	3.4
69.07061	11.6
69.31924	12.4
71.04983	6.3
72.40713	1.4
79.05489	53.7
81.03413	35.2
81.03873	2.8
81.07052	56.9
83.04980	8.8
83.08603	19.3
85.02899	16.3
85.06524	3.7
85.31940	1.3
91.05479	43.1
93.07040	52.1
95.04960	23.2
95.08602	33.0
97.02895	1.7
97.06534	4.9
97.10146	8.8
105.07028	34.2
107.04992	4.2
107.08598	22.3
109.06513	5.4
109.10154	15.0
109.43592	1.2
111.04422	1.9
111.08099	8.7
115.05393	1.8
117.07006	10.4
118.37664	1.7
119.08573	24.6
121.06497	2.6
121.10143	17.7
123.08080	2.5
123.11711	6.2
125.09626	6.1
128.59818	1.6
129.06992	7.5
131.08560	17.6
133.06529	2.4
133.10136	15.5
135.07983	2.4
135.11696	9.2
137.09668	1.8
141.06955	1.8
142.07797	2.0
143.08559	5.4
145.10121	12.2
147.08038	3.3
147.11690	15.5
149.09604	4.2
149.13248	6.0
155.08575	3.4
157.10107	10.3
159.08080	1.7
159.11668	9.2
161.13293	4.5
163.11163	2.6
165.12704	2.3
169.10208	1.8
171.11678	3.9
173.13266	8.0
175.11165	10.4
175.14862	2.5
183.11617	2.4
185.13257	3.4
187.14828	2.6
189.11118	3.0
189.16301	1.4
193.12221	32.8
193.13858	2.1
197.13361	2.4
211.13264	33.5
227.12828	4.9
261.22034	8.1
267.15924	8.7
285.22043	3.1
298.76260	1.6
301.21988	1.8
301.25076	6.8
303.23096	1.5
335.25858	5.5
359.25745	1.7
383.11383	3.0
417.31625	2.0
435.32773	3.2
453.33521	9.9
471.34540	5.9
479.43240	1.5
527.37274	25.1
545.38348	100.0
546.38092	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3834
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	1.9
53.03937	6.6
55.01847	2.9
55.05508	30.5
56.59695	1.4
57.03431	11.6
65.03940	3.7
66.61864	1.5
67.05502	68.2
69.03421	4.4
69.07063	20.7
69.78302	4.6
69.78730	5.2
71.04984	6.8
79.05489	63.6
79.05981	2.0
81.03415	45.2
81.07053	65.9
83.04973	9.7
83.08612	22.5
84.73880	1.4
85.02905	26.5
85.06541	3.4
91.05473	51.4
93.07038	60.9
95.04966	27.8
95.08600	39.2
97.02885	2.3
97.06531	8.8
97.10174	10.4
98.20923	2.7
105.07023	41.0
107.04950	4.9
107.08587	31.0
109.06514	5.1
109.10147	16.4
111.04430	1.7
111.08069	10.2
115.05450	3.1
116.67632	1.4
117.07000	10.7
119.08575	29.4
121.06516	3.8
121.10139	29.3
123.08078	3.3
123.11716	6.4
125.09628	5.4
129.06999	9.8
131.08551	24.5
133.06471	2.9
133.10135	19.3
135.03108	1.4
135.08038	2.4
135.11668	12.1
137.09631	3.5
139.11182	1.5
143.08549	5.4
145.10112	11.8
147.08031	2.5
147.11678	16.8
149.09624	4.7
149.13254	6.0
157.10075	13.5
159.11665	10.2
161.13266	7.0
163.14774	2.5
165.12794	2.9
169.10162	3.3
171.11661	3.6
173.13278	5.3
175.11169	10.7
175.14786	3.5
187.11140	1.7
187.14815	4.3
193.12234	52.4
199.14914	2.2
211.13283	46.9
217.97513	1.6
227.12865	4.9
261.22165	6.7
267.15918	8.2
285.17035	2.4
285.22162	2.2
301.25391	4.8
317.24820	1.9
335.25876	3.8
417.31415	2.3
435.32614	6.4
453.33734	5.2
471.34656	4.6
475.91687	1.8
527.37244	20.9
545.38330	100.0
546.38641	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	545.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.4
54.47510	0.9
55.01862	3.9
55.05512	25.9
57.03436	8.9
57.07056	1.4
59.04992	1.3
65.03926	3.3
67.05502	59.5
69.03418	3.4
69.07072	16.6
71.04992	6.2
71.13733	2.5
79.05489	60.3
81.03416	41.6
81.03809	1.0
81.07053	63.6
83.04983	10.2
83.08614	23.6
85.02902	19.0
85.06528	1.6
91.05478	44.3
93.07042	58.5
95.04967	23.7
95.08602	37.4
97.02855	1.7
97.06523	4.9
97.10162	8.8
99.08071	2.6
105.04533	1.2
105.07025	33.5
107.04938	3.4
107.08591	28.3
109.06512	5.1
109.10168	18.0
111.04421	1.3
111.08060	10.1
113.05992	1.4
115.05450	1.3
117.07014	8.5
119.08582	25.5
121.06491	2.1
121.10134	25.8
123.08060	3.3
123.11703	5.0
125.09632	6.2
128.06242	1.0
129.07013	10.3
131.08562	18.2
133.06499	2.8
133.10127	16.1
135.08083	1.8
135.11687	13.2
137.09633	2.0
142.07739	2.7
143.08549	3.3
145.10120	10.9
147.08026	3.0
147.11687	14.6
149.09586	6.0
149.13229	6.9
151.11195	1.2
155.08559	1.5
157.10138	11.7
159.11684	6.5
161.13277	5.0
163.11240	1.5
165.12755	1.3
169.10117	2.1
171.11708	3.2
173.13235	5.8
175.11203	10.2
175.14851	2.1
179.21797	1.0
183.11717	1.7
185.13252	2.7
187.14809	3.0
189.11279	2.5
193.12239	42.7
197.13286	1.7
199.14784	1.1
211.13275	43.8
225.16425	1.4
227.12819	4.7
243.21281	2.5
248.79520	1.1
261.22177	8.1
267.15891	7.5
285.22186	1.9
297.49957	1.1
301.25150	5.5
335.25934	5.7
357.47833	1.1
359.25955	1.3
373.27374	1.7
383.11230	1.4
417.31470	1.8
435.32550	2.6
453.33450	3.8
461.74875	1.3
471.34534	3.6
525.22565	1.3
527.37439	20.0
545.38342	100.0
546.38361	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3834
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	6.2
55.01863	4.0
55.05509	27.5
57.03430	10.9
57.07083	2.1
59.04993	1.5
65.03929	4.7
67.05501	66.1
69.03422	4.4
69.07069	16.1
69.37728	1.5
69.38139	8.9
71.04991	6.0
77.03831	1.2
79.05491	63.5
81.03416	45.6
81.07051	59.8
83.04977	9.8
83.08612	25.7
85.02901	20.2
85.06541	3.7
91.05471	48.6
93.07037	58.2
95.04962	23.7
95.08601	35.7
97.02883	1.5
97.06544	5.8
97.10162	9.0
98.20670	2.3
99.08080	1.8
105.04525	2.7
105.07027	36.2
107.04960	4.4
107.08589	30.0
109.06511	5.6
109.10151	16.8
111.04459	1.8
111.08081	8.6
113.05992	2.0
115.05435	1.6
117.07010	9.1
119.07724	1.5
119.08575	26.8
119.09377	2.2
121.06504	2.4
121.10129	24.8
123.08064	2.7
123.11700	5.5
124.22075	1.4
125.09641	3.4
128.06258	1.6
129.06973	8.3
131.08560	22.0
133.06516	1.5
133.10127	17.7
135.08046	1.4
135.11678	13.8
137.09601	2.4
142.07784	1.7
143.08611	2.6
145.10098	10.0
147.08070	3.7
147.11673	16.2
149.09621	4.3
149.13266	4.8
151.11189	1.8
157.10146	9.7
159.11624	6.6
161.13255	4.1
163.14842	1.5
165.12729	2.5
169.10083	1.5
171.11728	3.5
173.13240	5.7
175.11197	14.2
175.14859	2.3
179.08438	1.1
183.11720	1.4
185.13222	2.2
187.14801	4.1
189.11253	2.6
191.14333	1.2
193.10435	2.6
193.12227	47.8
211.13286	46.5
211.15288	2.1
227.12778	2.5
243.21068	2.1
261.22141	8.8
267.15952	7.9
277.28046	1.1
285.22089	2.2
301.25247	5.7
316.62778	1.2
317.24728	2.9
335.25571	5.3
375.26642	1.1
417.31577	1.4
435.32394	2.6
453.33646	5.1
471.34586	3.3
527.37299	14.7
541.16595	1.5
545.38342	100.0
546.38721	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	545.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.0
55.01867	4.9
55.05507	30.8
57.03426	6.8
57.07059	3.1
59.04992	2.5
65.02649	1.2
65.03948	3.4
67.05502	60.1
69.03426	3.7
69.07071	13.7
69.92931	6.1
69.93330	2.8
71.04975	3.6
71.08624	1.9
79.05488	38.7
79.45339	1.1
79.51396	1.1
81.03411	19.3
81.07050	59.6
83.04968	5.6
83.08623	16.6
85.02915	1.6
85.06548	3.1
91.05478	33.7
93.06485	2.6
93.07040	32.0
93.07629	1.7
95.04974	18.0
95.07990	1.7
95.08601	32.5
97.06531	6.3
97.10159	16.5
99.08092	2.4
105.07027	29.2
107.04960	5.6
107.08588	26.3
109.06509	4.6
109.10159	25.0
111.08086	3.4
114.51865	1.4
115.05457	2.0
117.07029	12.3
119.08567	22.6
121.06517	8.8
121.10129	16.2
123.08058	3.9
123.11700	8.1
125.09619	16.5
129.07007	7.2
131.08566	21.5
133.06534	2.5
133.10126	19.0
134.16423	1.3
135.08061	3.6
135.11671	11.4
137.09612	3.7
137.13252	2.0
141.06981	2.6
142.07724	2.0
143.08580	7.7
145.06543	1.2
145.10132	16.7
147.08051	3.5
147.11685	14.3
149.09604	5.6
149.13229	6.4
151.11110	1.4
153.09142	2.1
155.08553	3.8
157.10147	8.9
159.08087	2.8
159.11687	11.9
161.09660	2.0
161.13263	5.9
163.11205	7.2
163.14787	2.8
169.10136	4.5
171.11684	5.8
173.09700	1.8
173.11874	1.9
173.13240	10.0
175.11227	3.6
175.14772	3.5
177.12778	2.3
181.10110	1.8
183.11722	3.9
185.13289	4.6
187.11301	1.8
187.13295	1.9
187.14848	4.8
189.11214	11.2
189.16527	1.8
193.12263	10.2
195.11658	1.3
197.13184	2.1
199.14917	2.1
203.18016	1.7
211.13187	3.0
211.14961	2.0
213.16428	2.0
219.17513	1.6
225.16385	1.6
227.12773	14.2
233.15414	2.6
243.21045	2.6
247.16968	1.3
261.22180	11.4
267.15906	17.4
277.21664	2.6
285.22150	3.6
287.20151	2.1
299.23654	2.3
301.25266	18.8
313.21829	1.5
317.24881	2.9
323.24045	1.5
335.25711	14.6
341.24698	1.5
343.22568	1.9
357.28149	1.5
359.25842	2.9
383.11026	1.5
421.25946	4.6
425.34128	1.5
435.27185	2.2
435.32547	6.3
453.33655	16.8
471.34668	10.1
501.96768	1.3
509.35818	2.3
527.37262	55.9
545.38324	100.0
546.38940	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	543.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.3
55.01892	2.4
55.05515	13.7
55.35133	0.9
57.03440	3.6
57.07076	2.1
65.03954	1.1
67.05505	25.0
69.03448	1.4
69.07068	8.3
70.06596	2.5
70.91486	3.0
71.05008	2.7
71.08627	1.3
77.51053	1.0
77.80452	1.0
79.05492	20.3
79.05920	1.6
81.03426	6.0
81.07059	20.9
83.04981	2.6
83.08612	7.5
88.07648	3.0
91.05482	18.5
92.74851	1.1
93.07038	16.0
95.04971	5.5
95.08598	13.1
97.06570	2.2
97.10165	7.0
99.08122	1.3
101.45189	0.9
102.09178	1.6
104.23947	1.0
105.03424	2.5
105.07028	16.0
107.05000	2.8
107.08587	11.2
107.13541	1.1
109.06565	2.5
109.10152	9.2
115.05485	1.2
117.07024	12.2
119.08569	13.2
121.06518	2.2
121.10128	6.4
123.08102	2.1
123.11697	2.0
124.31891	1.0
125.09605	5.1
128.06250	1.8
129.07004	7.4
131.08572	15.0
133.06467	1.5
133.10101	6.5
135.08115	2.9
135.11720	2.6
141.07053	2.8
141.12666	1.0
142.07802	2.6
143.08533	8.6
145.06537	3.3
145.10112	12.7
147.08099	2.1
147.11671	7.0
149.06004	6.5
149.09711	1.3
150.06392	3.3
153.07050	1.6
155.08638	4.7
157.06540	2.5
157.10104	9.9
159.08136	3.5
159.11708	7.8
161.09685	1.5
161.13289	2.4
163.11235	2.9
167.08627	2.6
169.10112	5.3
171.08080	1.3
171.11728	8.3
173.09715	3.0
173.13342	4.7
175.14851	1.3
181.10175	2.5
183.11624	6.2
184.07329	2.0
185.09641	1.3
185.13362	4.6
187.11159	1.5
187.14902	3.0
189.11301	1.8
193.12228	2.2
195.11714	2.6
197.13332	3.9
199.11203	1.7
199.14919	3.2
201.12721	1.8
201.16229	1.3
207.11684	1.1
209.13351	2.5
211.14972	1.6
213.12825	1.7
213.16530	1.5
223.14897	2.4
227.12869	3.6
228.23318	3.3
229.23642	3.6
235.14993	1.3
237.16539	1.4
241.19708	2.3
247.14896	1.2
259.20715	3.1
267.15970	1.9
279.21164	1.4
283.20633	2.2
297.22314	2.1
299.20624	1.5
299.23569	5.7
311.20203	1.4
325.21777	1.2
333.24289	2.2
339.23236	1.2
341.10431	3.2
342.10681	4.8
357.24374	1.3
380.28653	1.0
405.31458	1.7
415.29938	1.8
423.32584	1.5
433.30951	5.3
451.32205	9.2
469.33450	5.1
487.34259	1.3
490.42557	1.2
507.35358	2.0
525.35736	15.2
543.37128	100.0
544.37567	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	544.239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.3
54.79368	2.4
69.03419	7.2
70.06580	4.8
71.01859	7.4
77.03926	3.2
79.05499	4.6
81.03400	4.4
82.15811	3.1
85.02908	19.7
91.05456	7.3
95.04960	4.5
97.02880	5.8
103.05460	34.8
105.07040	7.4
107.04960	6.0
109.02859	4.7
119.04918	6.8
121.06478	10.2
123.04424	10.5
130.04149	4.1
131.04927	100.0
133.02843	8.2
133.06467	6.3
135.04401	4.1
137.05974	72.6
147.04395	65.6
147.08023	8.2
149.05975	26.7
150.06670	5.7
151.07529	17.2
159.04364	2.9
161.05968	12.8
162.06772	20.4
163.03853	4.2
163.07529	68.6
167.06964	6.2
175.07556	31.9
177.05435	6.0
179.07059	8.8
183.08084	3.1
183.10190	2.8
187.07558	3.8
191.07065	3.7
193.08595	33.7
205.08640	9.6
244.85825	3.7
283.09717	3.2
290.94260	3.1
297.11093	5.7
299.12747	5.3
311.12747	2.9
317.13818	13.1
329.13947	6.7
344.80667	3.5
358.02240	3.1
383.42096	3.2
425.24759	3.2
544.17316	6.4
544.24597	4.6
565.88477	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	543.368
Annotation	Methyl camaralate
Peak:m/z	Relative Intensity
53.03935	1.6
54.50914	1.0
55.01864	2.4
55.05508	14.7
57.03422	3.1
57.07053	1.5
59.04977	0.9
65.03934	1.5
65.04964	0.9
67.05501	22.4
69.03429	2.1
69.07066	7.6
70.75292	2.7
71.04998	2.4
79.05488	16.8
81.03413	6.8
81.07053	21.3
81.33989	1.0
83.04978	3.7
83.08617	9.0
85.06540	2.2
91.05480	20.0
93.07037	14.9
95.04960	7.6
95.08605	14.0
97.06521	2.6
97.10178	9.0
105.07022	15.7
107.04964	3.3
107.08584	9.2
109.06506	2.1
109.10147	8.7
111.08088	2.3
113.05993	0.9
115.05441	2.0
116.06272	1.1
117.07022	10.2
119.08570	10.6
121.06528	1.4
121.10148	5.6
123.08031	1.6
123.11698	2.1
125.09603	5.3
128.06213	3.1
129.06999	10.5
130.07715	1.0
131.08559	15.8
133.06487	2.6
133.10127	9.0
135.08054	3.0
135.11697	3.7
137.09627	1.6
141.06992	2.5
142.07790	1.4
143.08556	8.5
145.06450	3.0
145.10146	10.1
147.08072	2.8
147.11665	6.1
149.09618	1.4
149.13246	1.2
154.07773	1.2
155.08598	5.4
156.09335	1.5
157.06572	1.1
157.10127	9.3
159.08054	4.0
159.11690	7.4
161.09573	2.2
161.13271	3.2
163.11165	2.2
165.12769	1.5
167.08519	2.0
169.10161	6.6
171.08031	1.6
171.11664	7.7
173.09648	1.3
173.11966	1.0
173.13263	5.7
175.11238	1.2
175.14796	1.2
181.10146	2.9
183.11632	5.5
185.09604	1.8
185.13260	4.6
187.11203	3.3
187.14902	1.9
189.11232	3.0
189.12762	1.3
193.12263	2.0
195.11668	3.3
197.13239	4.6
199.11284	1.7
199.14838	3.1
201.12796	1.9
207.11728	1.8
209.13275	2.6
211.14915	2.3
213.12791	2.2
213.16364	1.9
221.13306	1.3
223.14790	1.3
225.12933	1.3
225.16426	1.5
227.12741	2.4
227.18001	1.1
235.14848	1.2
241.19537	1.5
247.17039	1.1
259.20630	3.1
267.15860	3.2
275.20273	1.2
283.20569	2.6
295.20047	1.1
297.22159	3.0
299.23740	6.0
301.21597	1.4
313.21466	1.0
315.23346	1.3
325.21576	2.0
339.23474	1.5
357.24197	2.2
415.29550	1.0
423.32706	1.6
433.31125	5.4
451.32205	11.2
469.33359	4.8
487.34106	1.5
507.35184	1.6
515.37463	2.5
524.25983	1.1
525.35663	17.0
543.36792	100.0
544.37189	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	543.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.8
55.01870	2.6
55.05513	16.3
57.03446	3.8
57.07063	1.1
65.03967	0.9
67.05505	23.6
67.76780	0.9
69.03438	1.8
69.07068	8.2
69.45652	1.8
69.46060	4.0
71.04989	2.8
71.42052	0.7
72.17229	0.7
79.05494	18.2
81.03426	6.3
81.07056	22.3
83.04987	3.2
83.08627	8.3
84.25561	0.7
85.06538	1.8
88.11460	0.7
91.05478	18.9
93.07043	18.1
93.07628	1.0
95.04956	6.3
95.08614	11.9
97.06548	2.3
97.10167	8.2
98.20856	1.5
99.08101	0.9
105.07030	18.3
105.07691	1.2
107.04962	3.3
107.08596	10.7
109.06518	1.3
109.10154	10.1
111.08087	1.5
115.05439	1.4
116.06250	0.7
117.07030	11.0
119.08582	13.2
120.86387	0.7
121.06503	2.1
121.10155	6.2
122.96819	0.7
123.08059	1.7
123.11725	1.9
125.09624	4.8
128.06219	2.2
129.07007	7.9
129.30800	0.7
130.07787	0.8
131.08572	13.9
133.06494	2.1
133.10126	8.9
135.08051	2.2
135.11703	2.3
137.09631	1.1
141.06990	3.4
142.07785	2.4
143.08586	9.8
144.09410	1.3
145.06514	2.6
145.10123	12.9
147.08047	1.2
147.11665	6.2
149.09627	1.7
149.13286	1.9
151.11055	0.9
153.09148	0.9
155.08568	6.5
156.09354	1.8
157.06493	1.5
157.10133	10.1
159.08070	4.4
159.11668	7.2
161.09647	0.9
161.13272	3.4
163.11250	1.9
167.08607	3.2
169.10143	6.4
171.08073	2.2
171.11650	6.3
173.09637	2.5
173.11749	2.0
173.13298	7.4
175.11211	1.8
175.14864	1.3
179.14249	1.2
181.10118	3.8
183.11703	5.6
185.09706	2.6
185.13261	5.8
187.11208	2.6
187.14774	2.7
189.11255	2.3
193.10245	1.7
193.12222	3.2
195.11719	3.1
197.09651	0.9
197.13210	4.4
199.11166	2.0
199.14833	3.8
201.12770	1.5
201.16418	1.1
207.11754	1.0
209.13303	3.1
211.14998	1.4
213.12808	1.7
213.16426	0.8
221.13301	1.4
223.14847	1.5
225.16516	1.0
227.12706	1.8
229.14302	1.3
237.16568	0.9
241.16032	1.0
241.19492	1.6
247.16904	1.3
251.18141	1.0
255.17682	1.0
259.20560	3.6
261.16260	0.8
263.17996	0.9
267.15775	2.1
271.16925	1.3
275.20126	1.2
277.21600	1.4
283.20645	2.7
297.22205	2.8
299.23709	6.1
301.21796	1.4
313.22079	1.0
315.23309	1.3
325.21869	1.3
327.23257	1.0
339.23221	1.5
353.24561	0.8
357.24078	1.4
415.29929	2.5
423.32578	2.0
433.30972	7.7
435.27267	1.0
451.32104	11.0
469.33136	5.9
487.34467	1.3
489.33667	1.0
507.34564	1.6
515.37311	2.4
525.28546	0.5
525.35760	19.3
543.36841	100.0
544.37152	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1318
Annotation	Unknow
Peak:m/z	Relative Intensity
59.71228	0.6
61.07340	0.6
69.53735	2.2
69.54154	2.1
81.25455	0.5
100.48233	0.7
107.10909	0.5
119.24437	0.6
160.01286	0.7
169.01912	1.1
171.05081	1.3
181.01820	0.6
183.65840	0.6
185.02956	1.2
211.02975	0.7
232.03494	1.3
245.05174	1.3
291.60269	0.6
351.11151	3.1
363.06696	3.1
381.07953	13.5
527.19910	0.7
543.13214	100.0
544.13593	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	543.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03761	0.4
53.03943	4.4
55.01866	1.3
55.05511	0.7
65.03933	0.6
67.05499	1.5
69.03422	2.9
69.07054	0.5
69.42344	1.8
69.42771	2.1
71.05003	0.7
79.05494	2.4
81.03414	24.8
81.07050	0.9
84.91940	0.4
85.02908	1.1
91.05478	2.8
93.07008	1.6
93.85909	0.4
95.04965	12.7
97.02898	3.7
99.04469	0.7
103.05456	1.0
105.03411	0.7
105.07022	1.6
107.04949	12.3
107.08597	0.6
109.02872	100.0
109.10134	0.6
111.04425	1.1
117.07007	3.8
119.08562	1.7
121.02863	4.7
121.06500	1.9
123.04422	4.0
125.02361	3.0
127.03910	5.9
129.07010	4.2
131.04951	1.4
133.02863	6.0
133.06503	0.5
135.04437	0.7
135.08041	0.6
137.05965	1.6
139.03893	1.3
145.06483	4.1
147.04434	1.0
147.08032	0.9
149.02333	1.7
149.06009	1.9
151.03896	14.1
153.01791	0.5
153.05476	2.2
159.04385	0.7
161.05919	0.6
163.03894	0.6
163.07549	1.5
167.03410	1.3
167.07109	0.7
169.04865	0.7
173.06036	2.3
174.49539	0.5
175.03845	0.8
175.07529	1.8
177.05426	2.4
185.04475	2.0
189.05563	0.8
191.07011	2.5
193.08629	0.4
195.06401	0.5
201.05501	1.2
219.06497	4.5
225.64105	0.5
233.04465	0.5
235.05945	0.9
237.07480	3.1
255.08511	3.6
259.05954	0.9
293.06546	4.7
299.08969	0.6
307.11890	0.7
311.07480	2.4
337.07098	0.8
345.09686	3.3
363.10730	12.5
381.11588	5.2
543.30585	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.6
54.46624	0.4
69.03403	0.8
69.37675	4.5
71.99287	0.5
72.43892	0.5
77.18739	0.5
79.05472	0.6
81.03403	0.5
81.07047	0.6
85.02880	1.7
91.05463	1.7
93.07017	1.5
95.04973	1.3
97.02896	1.7
103.05445	0.6
107.04955	1.3
115.05413	0.5
118.06557	4.0
121.06489	2.5
121.28419	0.5
124.03932	2.1
130.06567	2.3
142.06514	1.5
143.07275	1.9
144.08098	5.6
146.05994	15.9
149.05962	2.4
151.03828	0.5
160.07549	0.5
167.07288	0.5
168.06799	0.6
168.08028	2.9
169.07602	100.0
170.05997	3.8
170.07959	1.5
176.07103	0.7
181.07611	0.6
182.08365	1.8
183.09114	1.4
186.56386	0.5
188.07053	27.3
195.09128	1.0
215.08171	11.0
219.09132	1.1
220.07616	0.7
221.10735	0.8
235.08649	1.3
237.10107	2.8
247.08662	2.0
248.06882	0.7
263.08221	2.4
265.09717	17.4
266.09903	0.7
281.08990	0.9
289.13266	1.6
291.15079	0.6
293.09100	1.0
307.14508	0.9
311.10257	11.4
317.12961	3.1
335.13876	57.3
336.14203	1.2
345.12531	0.6
363.13394	7.8
381.14423	48.3
382.14783	1.3
418.51224	0.5
432.53140	0.5
497.19031	0.8
543.20300	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06157	0.7
55.01867	3.3
55.05503	3.3
57.03445	4.3
57.07065	3.1
57.64365	0.8
58.39622	0.8
59.04999	2.8
61.02938	3.9
64.78124	0.7
67.05504	2.1
69.03426	10.5
69.07059	0.7
69.21854	7.7
70.06602	1.0
71.01347	0.9
71.05000	6.9
73.02921	15.8
73.06564	4.5
79.05503	0.9
81.03423	1.7
81.07028	1.1
83.08618	1.7
85.02911	17.6
87.04470	1.7
87.22435	0.7
91.05484	1.5
97.02895	15.2
99.04462	1.4
107.04972	0.9
107.08585	4.1
109.02884	2.4
109.10161	4.2
115.03906	6.8
127.03930	7.1
127.11196	100.0
129.63211	0.7
133.04971	7.6
135.08055	3.5
137.05960	1.5
143.10657	3.7
145.04980	5.2
145.12253	9.2
147.04471	0.9
153.09088	1.1
156.07698	0.8
163.06059	1.8
163.07489	1.8
165.05493	1.0
166.08623	0.9
178.09459	1.3
181.08566	1.0
182.39037	0.7
199.09694	1.0
223.06064	0.8
231.15918	20.7
231.18225	1.0
241.07088	1.6
252.83810	0.8
259.08191	2.1
311.05368	0.8
345.07574	0.9
363.08661	1.6
381.09763	4.6
543.18384	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03416	12.6
69.03382	12.1
69.95052	44.2
71.04997	64.7
83.04970	12.3
85.02908	87.2
95.04984	18.1
95.16406	9.2
98.21574	13.4
103.05470	14.7
117.06977	12.4
121.06496	11.9
129.05437	27.9
131.04895	27.0
133.06509	13.9
137.05986	100.0
141.59030	9.1
147.04366	26.6
149.05948	22.0
151.07542	49.1
157.06512	14.3
161.05940	28.8
163.07561	46.4
165.09097	16.5
175.07555	34.7
177.05489	16.1
179.06972	25.2
189.09106	22.7
191.07022	42.5
193.08577	11.5
199.07462	15.2
203.06912	23.2
205.08565	13.2
207.10220	12.9
217.08585	38.4
221.08072	10.2
229.08640	16.4
231.10187	12.9
233.08069	29.8
259.09756	13.3
271.09702	10.2
277.10880	13.0
289.10806	11.6
295.11667	24.7
307.11703	48.3
331.15244	12.2
366.90320	10.4
542.19281	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	542.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99703	0.8
55.21946	0.8
65.03919	1.3
67.05492	2.0
69.03398	1.0
71.04977	1.1
71.50906	1.9
78.58077	0.9
78.64144	0.9
79.05482	4.6
79.32850	1.1
85.02899	5.8
91.05474	6.5
93.03398	1.8
93.07024	1.6
94.04193	2.0
95.04991	1.5
97.02884	2.3
103.05480	8.0
105.06382	1.7
105.07028	13.9
106.04158	3.3
107.04942	3.8
109.02842	1.4
109.06566	1.0
114.09232	0.9
117.06995	1.3
118.04151	2.3
119.04938	3.7
121.06506	7.5
122.03619	5.6
122.09204	1.0
123.08056	2.5
125.05963	1.6
131.04936	10.3
133.06485	26.7
135.04449	1.9
135.08058	7.8
137.05972	100.0
145.06488	3.3
147.04359	1.8
147.94411	0.9
149.06000	10.7
150.06755	7.5
151.07544	9.9
153.05481	1.1
153.09076	1.4
157.06490	1.4
161.05954	3.7
163.03941	1.8
163.07539	28.7
165.09113	9.0
166.08578	1.1
167.07019	7.0
169.04958	1.1
171.08116	0.9
173.05975	1.0
175.07536	2.8
177.05507	5.8
177.09146	3.1
179.07077	1.4
181.08652	3.8
189.09087	3.6
193.08615	31.9
197.11743	1.1
203.10638	3.8
209.08099	18.8
209.09955	1.3
210.08398	1.1
211.09657	51.7
221.11771	2.2
223.04259	4.4
235.11145	1.1
263.10645	1.8
295.13306	13.6
297.11533	0.9
327.15894	21.8
359.97998	1.0
458.96045	1.1
542.22650	3.5
543.16064	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3885
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	2.5
53.03956	11.4
55.01865	6.7
55.05511	29.7
55.74588	2.1
55.99405	2.6
57.03431	5.0
57.07068	8.7
65.03955	5.9
67.05505	86.9
69.03422	3.2
69.07069	19.3
70.06593	3.8
71.04983	4.4
71.08623	3.7
79.05495	100.0
81.03411	10.3
81.06591	5.1
81.07053	68.9
83.04978	11.5
83.08626	13.7
86.98916	2.2
88.07639	3.8
91.05483	74.5
93.07047	98.9
95.04967	25.4
95.08608	49.2
97.06540	4.5
97.10154	6.3
102.09201	5.3
103.05481	2.8
105.07034	46.2
107.04957	7.7
107.08588	37.4
109.06550	5.7
109.10140	13.2
111.08116	4.4
115.05498	3.2
117.07025	15.8
119.08585	36.0
121.06545	4.2
121.10163	22.4
123.08110	4.3
123.79392	2.1
127.07568	2.5
129.06995	14.7
131.08574	19.6
133.10130	20.6
135.08044	6.9
135.11694	12.7
143.08575	8.7
145.10123	18.3
147.11678	35.5
149.09663	5.6
149.13240	5.5
151.11069	2.6
155.08595	2.5
157.10114	3.0
159.11713	6.0
160.76930	2.5
161.09654	4.4
161.13237	12.6
171.11710	24.5
173.13329	6.4
177.08966	2.4
181.10083	2.4
183.11662	2.6
185.60902	2.1
187.14752	2.8
189.12784	9.6
207.13776	24.8
211.14975	3.2
247.16971	2.6
256.26404	12.2
257.26819	4.9
259.20721	3.0
261.22134	2.5
265.18066	4.6
271.09262	2.4
275.20288	2.3
277.21866	3.2
311.29453	8.0
312.30161	2.7
411.65155	2.7
449.34656	3.9
540.53644	9.3
541.38977	84.4
541.53461	28.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3885
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	9.4
54.71502	7.4
55.01863	10.1
55.05514	56.0
56.35677	9.9
57.07068	19.6
67.05508	93.0
69.07050	28.0
70.06571	10.9
71.08615	8.2
71.12213	21.5
77.92803	7.8
79.05489	81.2
81.03435	10.4
81.07050	100.0
83.04972	16.8
83.08602	30.8
88.07575	9.0
91.05476	72.9
93.07034	95.4
95.04962	39.4
95.08603	52.2
97.06503	13.9
97.10155	9.9
105.07026	83.3
107.04954	13.7
107.08585	47.0
109.01027	7.8
109.06481	10.2
109.10130	25.7
117.07001	32.4
119.08591	59.3
121.10126	38.3
123.08064	8.6
123.11711	8.2
129.06956	14.7
131.08554	29.6
133.10114	50.2
134.16167	7.6
135.11653	23.1
143.08527	15.5
145.10088	43.4
145.95271	7.1
147.08084	10.2
147.11659	50.5
149.09607	21.7
149.13171	9.2
157.10123	8.6
159.11673	16.1
161.09596	8.2
161.13281	19.3
163.11142	35.5
169.09937	8.2
170.17719	8.5
171.11674	22.7
173.13306	9.1
185.13254	15.2
187.14787	15.5
197.13312	7.5
213.16272	8.9
223.13338	17.1
231.17451	18.6
247.16891	39.0
249.18486	20.0
256.26331	21.7
257.19147	9.7
257.26547	10.7
259.20554	15.6
275.20157	42.3
293.21191	15.0
311.29437	25.0
312.29788	16.2
338.04318	7.5
540.53381	23.6
541.21143	10.5
541.38770	39.0
541.53790	83.8
546.42554	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	541.358
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.9
55.01858	1.1
55.05500	1.9
56.96573	1.0
57.03428	1.0
57.07071	1.6
59.04987	0.8
61.02937	0.6
67.05508	6.1
69.03427	4.0
69.07065	4.2
70.06562	1.2
70.53905	1.8
71.04988	3.1
71.05325	0.7
75.08078	0.6
78.57906	0.6
79.05493	4.2
81.03414	2.2
81.06596	1.4
81.07052	17.0
83.04969	0.8
83.08627	1.6
85.02908	6.1
85.06547	4.3
86.09695	0.7
91.05475	3.8
93.07038	7.7
95.04964	2.8
95.08598	12.2
97.02883	2.5
97.06520	4.2
97.10147	0.7
98.97571	1.9
99.08093	2.0
103.05463	1.3
105.07036	4.7
107.04952	1.7
107.08592	6.9
109.02867	3.0
109.06524	1.3
109.10157	9.3
110.97614	0.6
111.08074	2.9
113.06040	0.6
116.98615	1.1
117.07001	1.3
119.04914	1.1
119.08573	2.6
120.08134	1.1
121.06454	0.7
121.10144	4.8
123.04423	0.8
123.11710	8.1
124.07593	1.1
127.03913	1.2
127.11158	1.1
128.98570	0.8
129.07002	0.6
129.09132	1.6
131.04887	0.8
132.96277	0.7
133.06509	2.4
133.10109	4.1
134.99635	0.8
135.04463	0.9
135.08063	1.0
135.11710	3.1
136.07568	2.7
137.05965	6.0
137.09621	6.7
137.13190	3.8
138.06322	0.7
139.11047	0.8
143.08495	0.8
145.10101	0.8
147.04420	2.0
147.11670	1.5
148.07533	1.2
149.06039	0.9
149.13266	4.4
150.05376	0.7
150.09129	0.7
151.03906	1.1
151.06255	0.7
151.07529	1.0
151.11174	0.8
153.05550	0.7
153.12727	1.5
159.11710	1.5
161.05951	1.5
161.13312	1.2
162.09135	1.4
163.07553	1.6
163.14865	0.7
164.07077	3.2
165.05481	1.8
165.09077	4.6
165.12764	1.1
167.07028	2.6
169.12199	0.6
172.07564	1.1
174.09148	0.8
175.07550	0.7
178.08678	0.9
179.07089	1.1
182.30243	0.7
186.09158	1.4
188.06996	0.7
189.00815	0.7
190.08649	2.0
191.14334	1.0
200.10696	2.1
203.18022	1.7
204.10049	0.8
207.17476	0.7
214.08664	1.0
214.12263	1.4
215.07056	1.5
215.17862	0.9
216.10199	1.4
218.08099	0.9
224.10748	0.9
232.09732	2.0
233.18968	0.8
237.02824	0.8
237.18314	0.8
239.20027	1.4
242.11748	5.0
244.09724	1.2
244.13258	1.9
249.02722	0.7
251.20087	2.4
256.13315	1.2
258.11401	1.0
260.09201	7.2
260.12332	1.0
263.23596	0.7
270.11365	1.9
271.24228	0.7
274.10684	0.8
277.25162	1.3
278.10309	1.1
284.12799	2.7
289.25266	3.8
290.15625	2.3
294.11334	0.7
295.26343	1.5
302.13760	0.8
307.12344	0.8
307.23056	1.0
307.26340	8.5
309.13281	1.5
312.12296	7.7
325.23572	1.8
325.27414	2.9
330.13287	11.4
335.09561	0.8
343.24887	0.8
344.14972	4.2
348.14413	10.8
362.15976	10.8
380.17029	21.5
398.54822	0.7
409.15253	1.9
541.20428	100.0
542.20752	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	541.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.3
55.01866	4.3
55.05508	19.7
57.03430	3.7
57.07071	2.4
59.04995	1.7
65.03928	1.2
67.05506	25.1
69.03429	1.6
69.07063	7.5
69.32371	4.6
69.32795	4.4
71.04988	1.7
79.05491	22.7
79.36404	1.0
81.03419	5.0
81.07054	17.7
83.04970	3.6
83.08608	8.9
85.06554	1.9
86.16953	0.9
89.04681	0.9
91.05486	16.7
93.07044	14.3
95.04969	8.8
95.08606	12.3
97.06547	2.7
97.10166	13.4
105.07035	13.9
107.04960	2.6
107.08607	11.5
109.06563	2.9
109.10147	6.3
111.08118	1.6
115.05459	1.6
117.07013	9.5
119.08569	10.0
121.06493	2.2
121.10135	3.9
123.08070	2.4
125.09631	9.6
128.06256	3.1
129.07016	11.8
130.07768	1.1
131.05020	0.9
131.08566	11.2
133.06470	1.6
133.10146	6.0
135.08052	4.2
135.11710	3.7
137.09625	1.0
141.07019	4.0
142.07741	2.9
143.08540	12.5
145.06511	2.1
145.10129	10.8
147.08034	2.2
147.11684	2.7
149.09628	1.6
153.07047	1.4
153.09059	1.1
153.12794	1.3
155.08562	7.5
156.09325	1.4
157.06502	1.3
157.10123	11.0
159.08049	2.8
159.11641	6.8
161.09669	1.4
161.13306	1.7
163.11157	2.4
165.07002	1.4
167.08614	3.1
169.10133	8.8
171.08092	2.4
171.11674	9.3
173.09679	2.3
173.11848	1.6
173.13293	3.2
179.08592	2.1
181.10074	6.0
183.08069	1.2
183.11719	7.3
185.09726	1.8
185.13254	7.7
187.11139	1.8
189.11240	7.2
193.10071	1.9
193.12285	1.4
195.11732	4.8
197.09692	1.7
197.13292	4.0
199.11185	2.1
199.14880	3.0
207.11824	2.1
209.13251	4.4
209.48604	1.2
211.11284	1.2
211.14893	2.9
221.13383	1.4
223.14890	1.7
225.12697	1.8
225.16396	1.0
227.12712	5.9
235.14833	1.8
239.14429	1.5
239.18036	1.1
257.19135	1.6
269.19144	1.1
269.22665	1.4
275.20444	2.3
279.21017	1.3
281.19012	1.6
295.20493	1.3
297.22125	9.8
307.20673	1.4
315.23346	1.2
323.20035	1.2
331.22614	1.4
337.21552	1.2
343.22784	1.1
351.22821	1.2
421.31027	1.8
429.26080	1.0
431.29367	7.9
443.28281	1.6
449.30432	11.2
467.31470	7.2
485.32709	3.5
505.33109	1.1
513.35583	2.1
523.34009	11.1
541.35229	100.0
541.53638	2.8
542.35889	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	541.1915
Annotation	Syringopicroside C
Peak:m/z	Relative Intensity
52.06990	1.1
53.03938	2.3
54.85545	1.1
55.01870	2.1
57.03424	3.0
60.68391	1.0
61.02913	5.0
67.01840	1.2
67.05497	3.8
68.99791	6.0
69.03093	1.4
69.03432	20.5
69.74726	6.1
69.75539	1.0
70.06576	1.3
71.01363	1.4
73.02899	1.7
78.76303	1.0
79.05506	6.1
80.63568	1.2
81.03407	3.6
81.07006	1.3
83.83047	0.9
85.02904	20.2
87.00842	1.4
87.04461	3.3
91.05470	2.9
93.07028	1.9
95.04967	10.4
97.02895	10.2
97.06533	1.5
98.21483	2.1
99.04465	1.7
103.05451	1.8
105.03382	2.6
105.07030	2.1
107.04964	4.2
109.02859	3.7
109.06503	8.1
111.00757	1.3
111.04438	5.0
112.88826	1.0
115.05460	1.1
116.79666	1.4
117.07021	2.9
119.04896	1.6
121.02869	2.6
121.06493	3.0
123.04458	1.4
125.05968	1.6
127.03906	6.0
129.05481	5.8
129.74359	1.2
131.04936	4.8
133.06435	2.7
135.04402	8.3
135.08054	1.7
137.05977	3.2
139.03894	8.8
142.93433	1.1
145.06490	6.4
147.04430	2.5
149.02341	25.7
149.05978	6.0
151.03896	7.4
153.05461	12.3
159.04445	4.5
161.05980	2.7
163.03934	2.5
163.07535	2.9
165.01691	1.4
165.05473	50.1
167.03415	10.3
167.08434	1.3
169.06416	1.8
171.06499	5.3
173.04710	1.4
173.05937	6.5
175.07530	3.8
177.05443	3.4
179.03494	1.3
179.07050	1.4
183.06480	1.9
183.08029	1.9
183.43973	1.2
185.09476	1.2
187.03966	2.4
187.07475	1.6
189.05472	3.7
191.07024	31.7
197.06209	1.3
197.08102	6.4
199.03954	1.5
201.05470	12.2
201.08984	1.9
203.07008	1.8
211.07608	1.2
211.42731	1.0
213.05481	1.5
213.09184	1.4
215.07033	2.1
217.04941	1.5
219.06505	21.7
225.97794	1.5
227.03452	1.4
229.08617	2.4
235.06035	1.5
239.07002	1.9
241.04991	2.8
249.11172	2.0
257.08072	3.5
259.09650	2.3
265.08487	1.3
269.08124	1.7
273.11154	2.0
275.09253	1.6
301.10675	3.2
303.08682	9.4
309.10098	1.4
311.09143	2.2
319.11838	3.7
329.10092	7.2
333.13315	2.8
335.11618	1.3
347.11237	60.1
361.12857	6.4
365.12222	1.6
379.13889	22.0
541.19122	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.244
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72494	0.9
65.03552	0.8
70.06612	1.0
71.04984	0.9
78.58671	0.8
81.03442	1.4
85.02901	2.5
86.09663	1.0
91.05485	3.9
93.07057	1.2
94.04217	1.4
95.04967	1.5
97.02906	1.2
98.21545	1.6
103.05461	6.8
105.07062	1.3
107.04919	1.1
109.10091	0.9
117.07027	3.1
119.04946	2.8
120.39104	0.9
121.06515	1.7
122.03625	2.4
127.03943	0.9
129.06937	1.0
131.04927	17.1
135.08040	0.9
137.05972	27.4
138.06290	1.1
143.08612	1.2
147.04369	0.9
149.05995	2.0
151.03870	1.6
151.07532	13.2
157.06505	1.8
161.06009	2.7
162.06767	2.5
163.03906	1.2
163.07532	38.3
165.05515	1.3
167.07033	1.4
167.08591	1.1
169.27962	0.9
174.06773	1.3
175.07570	3.7
177.09099	100.0
178.09393	1.0
189.09134	3.7
193.10091	0.9
195.08038	2.4
195.10158	2.1
198.24469	0.8
203.10698	2.1
218.92426	1.0
221.05936	1.1
221.11731	16.3
223.07654	1.4
227.10675	3.7
253.08592	1.3
253.12151	1.5
255.10127	3.6
265.08887	1.0
267.10297	1.6
269.08151	1.0
285.11206	3.3
287.12711	7.6
311.12665	0.9
313.14319	6.7
331.15399	23.0
343.15292	1.2
454.97855	0.9
462.85797	0.9
517.42590	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.2
57.03424	1.9
69.03429	1.8
70.06579	2.1
71.04987	1.4
71.51671	2.3
73.02907	2.4
79.05499	2.7
85.02893	2.2
85.82114	1.4
91.05473	4.2
93.07043	2.2
95.04925	1.8
97.02883	1.6
103.05453	3.8
105.07037	6.6
107.04922	4.2
110.09675	1.6
115.05417	2.2
117.07021	2.6
120.08059	2.0
121.06499	4.2
121.55175	1.3
123.08117	1.6
129.06982	1.9
130.29602	1.5
131.04927	3.7
133.06526	6.3
137.06006	12.9
138.06322	3.7
139.06514	2.0
145.06535	1.5
151.03917	2.7
151.07552	7.9
161.06000	11.5
162.06689	1.3
163.07509	4.4
166.08661	2.3
167.07059	13.1
175.07584	4.5
177.09120	100.0
181.08632	6.1
183.48628	1.2
189.09135	4.8
191.06984	1.7
193.08623	42.0
195.10159	2.9
207.97731	1.3
221.11748	15.2
256.32617	1.5
343.14893	4.2
360.14392	1.9
361.16400	14.5
373.16531	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03429	3.1
69.59443	8.1
71.05010	1.1
73.02908	1.1
79.05473	1.6
85.02908	10.9
91.05482	7.3
91.98193	1.1
94.04189	1.9
94.15096	1.2
95.04953	2.4
95.08574	1.1
97.02876	1.9
103.05455	2.1
105.07063	1.9
107.04948	3.0
109.02853	1.1
109.06543	2.4
118.49927	1.1
119.04922	7.2
121.06515	2.2
122.03641	2.4
127.03899	1.3
129.07011	4.9
131.04968	4.4
135.08057	2.2
137.05984	38.0
138.06303	1.4
140.78549	1.1
145.05107	1.1
145.06540	1.2
145.18367	1.0
147.08098	1.0
149.05968	6.6
151.03940	1.5
151.07549	48.7
152.07883	1.2
155.81413	1.2
157.06537	5.6
161.05939	6.8
163.07539	11.9
165.06999	1.6
165.09117	2.8
167.07089	2.4
167.08559	4.8
174.06795	2.9
175.07585	2.9
177.05560	1.2
177.09085	5.4
178.07822	1.6
189.09108	18.2
193.06464	1.8
193.10147	3.3
195.08134	8.3
195.09729	1.8
197.05949	1.0
204.06570	1.2
207.10197	4.2
209.09753	1.6
210.06749	1.7
211.16937	1.2
212.08461	2.4
219.18198	0.9
221.06049	2.6
221.09692	5.7
221.11569	1.3
222.18689	1.2
223.07620	5.0
224.08189	1.9
225.09094	4.9
227.10664	16.8
237.09204	1.9
240.07941	1.7
241.12289	1.4
249.09152	2.9
253.08476	5.9
253.12277	8.1
255.10162	13.5
256.10709	1.2
261.09430	1.1
267.10202	3.7
269.08057	1.2
269.11606	1.1
272.10608	2.2
281.11761	2.3
284.10455	1.3
285.11298	9.9
285.14178	1.7
287.12802	29.1
295.72159	1.2
299.12820	1.2
313.14319	25.8
313.17627	1.8
331.15405	100.0
332.15622	2.0
343.15353	4.7
474.56454	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	12.7
55.05510	35.2
57.03435	10.4
57.06844	5.8
57.07077	73.0
67.05507	53.6
69.03419	11.5
69.07055	22.7
71.04977	7.8
71.08627	46.6
73.02892	10.7
79.05496	27.1
81.03407	13.2
81.07055	44.6
83.04967	17.1
83.08624	25.1
83.41614	5.7
83.59356	5.3
85.02902	13.2
85.10163	15.7
91.05472	17.1
93.07037	25.3
95.04964	9.7
95.08607	41.0
97.10149	19.1
98.20743	12.0
98.21450	23.3
105.07023	9.3
107.04953	8.2
107.08586	18.7
109.02972	4.6
109.10143	29.9
111.04420	14.8
111.08064	5.8
116.49398	4.9
117.07001	8.0
119.08578	10.9
121.10152	17.6
127.03895	5.6
131.08548	7.9
135.11691	12.2
145.10127	15.4
153.12813	8.2
158.29065	5.3
163.11162	22.7
181.12228	10.1
191.10667	18.7
209.11690	22.6
227.12721	21.3
229.43639	6.4
239.23680	22.9
283.15366	23.2
313.27307	37.9
437.36758	5.9
521.38129	22.6
539.39307	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.3
61.02924	2.5
68.13412	1.6
69.29317	17.2
85.02904	7.3
91.05473	9.6
91.47718	1.7
95.05006	2.5
105.07034	2.0
112.81852	1.8
118.71060	1.8
119.04932	7.3
121.10155	2.0
122.03725	2.1
126.72857	1.5
129.07022	6.9
131.04955	2.9
131.17775	1.8
135.08020	4.0
137.05975	44.5
147.04330	2.0
149.05991	7.1
151.07539	57.9
157.06496	7.6
161.05974	5.7
163.03773	2.5
163.07542	11.8
164.37373	1.7
165.07036	2.9
165.09088	4.0
167.08546	4.9
174.06763	2.4
175.07520	3.1
177.09093	2.6
178.07742	1.7
181.06560	1.7
187.07542	1.6
189.09100	18.9
193.06517	1.8
195.08083	9.7
207.10167	3.8
221.05908	2.3
221.09578	4.2
223.07573	7.5
225.09074	5.1
227.10681	16.4
228.17026	1.6
237.09091	2.9
249.08997	3.4
253.08603	5.3
253.12268	8.6
255.10144	19.7
267.10168	2.5
281.11591	3.7
285.11230	13.9
287.12747	36.4
299.12711	2.6
313.14362	34.4
331.15378	100.0
339.54465	1.6
343.15268	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46995	1.7
53.03927	2.8
54.04725	1.7
55.01875	28.5
55.05507	28.2
57.03426	6.6
57.07076	64.9
60.87427	1.7
63.36514	1.5
65.03921	2.2
67.05501	41.1
69.03416	13.1
69.07069	22.8
69.59223	11.7
71.01335	2.3
71.04961	2.9
71.08631	45.1
73.02897	5.8
79.05489	23.5
81.03397	6.6
81.06595	3.0
81.07052	47.7
82.04190	7.8
83.04984	15.4
83.08618	23.1
85.02886	4.0
85.06542	4.2
85.10181	24.6
87.04466	2.2
89.06059	9.6
91.05478	18.2
93.07043	18.3
95.04965	14.5
95.07988	2.7
95.08600	46.8
97.02892	4.0
97.06520	9.8
97.10158	14.2
98.07304	10.8
99.04440	2.0
99.11744	2.3
101.99464	1.8
105.07027	11.5
107.04953	4.9
107.08601	9.7
107.87986	1.7
109.02882	3.0
109.06519	2.1
109.10147	24.3
111.04438	5.2
111.08080	5.3
111.11665	2.9
113.13212	2.1
117.07002	3.4
119.08564	9.3
121.10135	8.6
123.08051	5.6
123.11701	7.6
125.09618	7.3
127.11198	6.1
129.05434	2.8
129.07011	4.7
131.08583	5.7
132.99371	1.6
133.08591	4.1
133.10136	6.1
135.08121	2.8
135.11707	5.0
137.09599	1.9
137.13268	4.3
139.11176	1.8
141.08644	1.7
145.10109	5.3
147.11671	5.3
149.09624	2.9
154.09718	1.7
157.10100	2.1
158.05740	6.6
163.11166	5.6
171.06529	16.7
175.11064	2.5
177.11214	2.5
181.12289	3.3
185.08099	3.8
193.12259	2.3
209.11797	8.0
210.12476	1.6
213.11224	3.2
227.12735	9.1
239.23677	16.6
245.13838	2.1
255.15800	9.1
283.15372	5.2
283.18930	2.7
311.18842	3.0
311.22208	9.0
313.27231	8.4
325.23337	2.0
353.26846	2.1
354.27734	6.2
367.28406	21.6
381.30066	6.9
395.31598	15.1
409.33185	5.6
423.35001	2.1
438.37042	9.2
493.38641	2.2
521.38354	2.8
539.10724	2.1
539.39380	100.0
540.39935	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	539.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.1
55.01870	2.0
56.03708	1.6
59.44107	1.7
65.02647	1.7
67.05501	4.7
69.03401	2.9
69.07069	2.2
70.06568	6.8
70.75804	2.9
70.76162	3.9
72.08150	3.9
73.02908	1.7
74.06102	2.4
75.50967	1.9
79.05483	6.5
81.03404	5.4
81.07040	5.9
84.04510	1.8
84.08133	2.3
85.02890	2.8
86.09719	3.5
91.05479	18.0
93.07028	4.8
94.04188	4.7
95.04971	6.9
95.08603	3.7
97.02917	3.0
97.06508	1.9
103.05460	5.7
105.07030	12.0
107.04949	16.1
107.08520	3.6
109.06500	3.4
111.04416	3.8
115.05453	4.3
117.03383	2.5
117.07021	5.9
119.04916	7.8
121.06525	8.4
122.03644	7.8
123.04403	3.3
123.08033	2.1
123.11739	1.7
128.06204	4.4
129.06992	8.3
131.04945	11.5
131.08562	3.9
133.02866	4.8
133.06479	6.1
135.04420	5.5
135.08047	7.0
136.05109	2.3
137.05981	100.0
138.06310	4.8
139.03859	2.6
139.07533	2.0
141.06940	2.8
144.05690	2.2
145.02859	2.2
145.06419	4.6
147.04369	4.6
149.05995	7.8
149.09596	2.0
151.03908	18.0
151.04979	3.1
151.07550	43.3
153.05467	4.4
157.06474	4.3
158.07362	1.9
159.04477	2.2
159.08012	1.9
160.05289	2.7
161.05968	30.1
161.09625	6.4
162.06621	2.1
163.03879	13.6
163.07558	12.7
164.06982	2.6
165.05444	5.1
165.06822	2.1
165.09102	5.5
167.07036	25.3
173.05962	3.3
174.06764	5.7
175.07533	17.2
177.05486	4.4
177.09113	5.4
178.08667	2.9
179.03468	2.3
179.07018	3.5
181.08569	3.8
182.07277	2.2
187.07529	4.8
189.05397	1.8
189.09109	28.5
191.07027	2.6
193.06430	2.2
193.08591	3.3
195.06516	2.7
195.08127	3.2
195.10150	7.1
196.09737	3.9
201.09140	3.0
203.06914	2.2
203.10681	2.9
205.06407	1.9
207.10159	14.7
208.08751	2.5
210.06773	2.1
211.07555	3.6
216.27325	1.7
217.08676	1.7
218.07234	1.7
219.08122	4.4
219.10181	21.9
221.06049	3.3
233.06079	2.9
234.06741	5.0
235.07527	5.0
237.09230	2.7
241.08670	2.0
247.07628	2.1
249.09093	6.3
251.07118	2.7
251.10648	2.6
253.08633	4.2
261.08981	2.4
265.08624	6.0
267.10123	2.0
277.08685	5.5
277.11862	3.0
279.10239	4.7
283.09647	3.9
285.11166	7.3
295.09515	3.5
296.10327	1.8
297.11182	12.7
299.12863	2.6
307.09546	3.1
307.12939	2.2
309.11182	5.2
311.12793	10.6
313.10706	2.3
315.12302	4.7
319.11966	2.8
323.12683	5.8
325.10843	2.3
327.12192	4.7
331.15549	2.3
337.14453	8.7
339.12332	3.6
339.15918	8.3
341.13669	5.6
349.14343	2.1
353.13943	2.0
355.15445	11.5
357.16898	2.8
359.14243	2.7
365.13843	2.2
367.15347	7.7
371.14865	3.5
377.08414	4.2
479.21149	8.0
509.21237	2.7
520.89984	2.0
521.21277	3.7
539.11230	3.2
539.23163	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	539.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52685	2.3
54.34146	2.5
67.05502	5.2
67.14759	2.6
67.97015	2.7
69.69849	6.8
69.70259	10.0
70.06599	7.6
74.84617	2.9
79.05491	8.8
81.03429	4.1
81.07042	4.0
82.29008	2.4
83.04993	2.5
84.08128	4.6
91.05486	18.4
93.07048	6.1
94.04177	3.8
95.04955	9.7
95.08614	3.9
98.20852	4.6
103.05458	7.4
105.07030	11.9
107.04950	10.4
109.02904	3.5
109.06536	5.7
111.04440	3.4
115.05486	8.4
119.04943	6.4
120.08083	4.0
121.06542	7.0
122.03655	8.6
123.04424	7.4
124.05116	2.7
125.05978	3.0
127.03930	3.5
128.82182	2.7
129.06999	10.1
131.04915	10.3
133.06526	5.2
135.04491	3.7
135.08051	5.7
137.05977	100.0
138.06268	3.4
144.19917	2.8
145.06473	4.7
145.10136	3.6
145.34978	2.9
146.07216	3.1
147.04378	4.4
147.07956	3.1
149.05991	7.7
151.03914	10.1
151.07541	34.4
153.05487	19.4
157.06528	6.6
159.08090	3.1
161.05969	64.1
161.09625	12.4
162.06491	2.8
163.03899	10.5
163.07542	15.2
165.05582	3.3
165.07025	4.0
165.09175	3.2
167.07053	19.6
174.06787	5.8
175.07510	27.0
177.05583	4.4
177.09103	7.0
179.07072	7.3
181.08594	4.2
187.07463	5.0
189.09088	32.4
191.06953	4.8
194.07265	6.7
195.08452	3.3
195.10127	17.8
202.07751	4.0
205.06566	3.8
207.08186	4.4
207.10109	28.5
209.09647	3.0
211.07631	3.8
219.08119	5.3
219.10175	6.6
221.05916	5.9
222.06825	7.3
225.09190	5.0
227.07062	3.8
231.08086	5.3
235.07603	3.4
237.09088	5.0
238.06013	3.3
249.09145	7.5
253.08643	3.4
255.10133	3.5
259.07553	4.2
263.10498	3.5
265.08615	17.0
267.10071	3.7
277.08588	6.3
283.09656	3.3
285.11179	9.8
295.09790	4.8
297.11224	16.5
299.12695	3.1
305.11667	2.9
308.10471	4.5
309.11304	6.8
311.12701	12.9
313.10571	6.0
315.12189	7.4
323.12683	9.1
327.12216	4.7
335.12674	3.4
337.14319	12.7
343.15198	4.3
347.11276	5.7
349.14374	5.9
355.15518	20.8
367.15393	12.6
437.20309	2.9
461.18997	4.5
479.20810	5.8
491.20746	3.6
509.21228	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.187
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89172	0.7
61.02933	0.8
64.88282	0.8
65.50198	0.7
67.05519	0.8
68.77985	0.7
69.03416	3.0
70.06580	1.2
70.47282	2.0
71.05013	0.8
79.05500	1.3
80.05023	1.0
81.03403	1.7
81.04539	0.9
83.04972	0.7
83.06104	1.1
85.02898	5.1
86.09756	0.7
91.05484	3.0
94.06550	1.8
95.04964	1.5
95.06078	2.4
96.06870	3.1
97.02882	2.7
102.61813	0.8
106.06528	4.8
107.04954	1.8
107.06073	7.2
108.06867	0.7
109.02906	1.3
109.06569	0.6
109.07642	1.8
109.17181	0.7
117.05753	1.6
118.06538	4.0
120.06828	0.8
120.08138	1.2
121.07628	4.2
122.08405	3.0
123.04676	0.6
123.05563	5.4
123.09208	2.2
127.03854	0.8
132.08095	1.6
133.07610	8.6
134.06018	3.3
135.04416	1.4
135.05481	1.0
137.06009	1.1
137.07098	1.0
139.03900	4.9
145.06628	1.0
145.07579	4.0
146.06050	1.3
146.08501	0.9
147.04410	0.8
147.05516	2.0
147.09181	5.6
148.07602	2.3
149.07083	8.2
151.03940	2.2
151.07533	1.2
151.08653	6.9
157.07608	1.2
159.04439	0.9
159.05511	3.5
159.09193	3.6
161.07095	7.5
162.05463	1.1
162.07803	0.8
163.03870	3.7
165.05507	2.1
173.07155	3.0
174.07874	1.6
175.08656	21.3
176.07021	1.8
176.09384	1.1
177.10185	0.9
179.07059	0.8
185.07150	3.3
185.10744	2.4
186.09166	0.8
187.08667	10.3
189.06602	2.1
193.06010	1.7
195.07733	3.1
199.12350	1.8
201.06599	16.5
202.04898	0.7
202.07314	1.7
203.08142	52.2
204.08746	2.2
205.09877	1.0
207.07648	0.7
209.10867	0.7
213.06595	1.8
217.09731	3.5
219.07570	1.0
225.10217	1.4
227.11726	3.4
229.06058	0.9
230.06885	2.5
231.07631	32.6
232.08170	1.0
233.09259	2.7
234.27315	0.7
234.65787	0.8
235.10739	6.8
237.10310	0.8
244.09691	0.8
245.13033	1.3
253.09798	0.9
255.11223	3.9
263.10303	6.7
273.12271	5.9
275.06616	8.6
276.07407	3.6
277.15436	1.7
279.09756	1.2
281.09219	1.3
283.10779	2.0
287.13791	1.5
301.11920	3.1
305.14975	7.3
307.09186	11.4
315.13297	1.6
327.09833	1.3
331.12918	1.2
333.14444	9.7
345.10764	4.7
359.12534	2.0
377.13403	41.6
467.20074	2.3
495.19733	8.6
533.69684	0.8
539.18756	100.0
540.19415	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	539.1371
Annotation	6-Hydroxymyricetin 6,3',5'-trimethyl ether 3-glucoside
Peak:m/z	Relative Intensity
52.12275	0.8
68.29767	0.9
69.03455	0.9
71.04996	0.8
71.51092	1.1
85.02914	1.9
89.03922	1.2
94.06599	1.4
107.04958	0.9
110.06060	1.4
127.09331	1.0
135.04413	4.2
136.07513	1.2
137.06094	0.9
139.03918	2.5
140.07062	21.2
145.02838	1.6
146.06093	1.2
147.04410	1.0
149.07089	2.7
154.08717	1.6
159.07986	0.9
163.03903	17.7
164.04306	1.0
164.07069	2.9
166.08664	1.1
174.05518	1.2
178.08673	2.8
185.02165	2.7
188.07156	1.0
196.67426	0.9
197.04240	2.3
215.05283	3.4
221.02948	5.9
231.11314	1.0
239.04085	1.3
257.12741	1.2
271.04468	1.2
271.61078	1.0
284.09180	1.2
327.13342	1.0
341.14844	1.8
347.07373	8.2
359.16003	2.1
365.08261	4.6
376.06070	0.9
377.08185	7.8
377.17130	1.9
521.12885	8.4
521.20154	1.9
538.24127	1.2
539.13605	100.0
539.22241	37.8
540.13818	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.0968
Annotation	Amentoflavone
Peak:m/z	Relative Intensity
52.70205	0.0
53.00289	0.0
55.01863	0.2
59.93316	0.0
60.40192	0.0
63.02356	0.0
67.01864	5.6
67.05489	0.1
68.99788	2.0
69.03419	0.2
69.07066	0.1
69.87305	0.2
69.87717	0.1
70.06569	0.1
79.01841	0.1
79.05479	0.1
81.03397	0.2
81.07047	0.1
83.01340	0.1
85.02895	0.2
86.09673	0.1
89.03905	0.1
91.01811	0.1
91.05444	0.1
92.74220	0.0
93.07044	0.1
97.02885	0.3
97.06553	0.0
97.91597	0.0
98.21510	0.1
102.04669	0.2
103.05473	0.1
105.03378	0.1
105.06949	0.1
107.01334	0.1
109.02872	0.1
111.00800	0.5
115.05434	0.1
117.03369	0.1
117.07024	0.1
117.80659	0.0
118.04160	0.1
119.04907	0.1
119.39671	0.0
121.02850	0.1
121.10087	0.1
124.01551	0.3
125.02358	0.3
127.03918	0.1
128.06232	0.1
129.01868	0.3
129.06963	0.0
131.04918	0.1
133.02908	0.2
134.03650	0.1
137.05945	0.2
139.03909	0.1
139.05397	0.1
139.37514	0.0
142.07883	0.0
143.03351	0.2
144.05692	0.1
145.02817	0.1
145.06494	0.1
147.04337	0.1
149.02324	0.0
151.03905	0.1
151.07619	0.1
152.01085	0.1
152.06238	0.2
153.01822	15.2
154.02185	0.1
155.04910	0.1
157.06406	0.1
158.07294	0.1
160.11179	0.1
161.05832	0.1
167.06979	0.1
168.05681	0.1
169.06519	0.2
170.02095	0.2
171.02892	2.2
171.04358	0.2
175.07590	0.1
178.07823	0.1
180.05682	0.1
181.43892	0.1
184.05246	0.1
185.06009	0.1
186.03094	0.2
186.06786	0.1
189.07094	0.1
196.05229	0.1
197.05972	0.2
198.06764	0.1
200.04660	0.1
201.05472	0.1
203.03305	0.1
204.04211	0.1
208.05203	0.1
208.17570	0.1
209.06076	0.1
211.03877	0.1
211.07602	0.1
212.04636	0.1
213.05464	0.4
214.06331	0.1
223.07562	0.3
225.05521	0.1
226.06252	0.3
228.04205	0.2
229.04915	0.9
233.05925	0.1
235.03880	0.1
235.07549	0.6
236.04807	0.1
237.05431	0.7
241.04936	1.0
242.05722	6.5
243.06087	0.1
247.07565	0.1
253.04944	1.9
254.05696	0.8
255.06488	0.3
257.04440	1.0
258.05237	2.4
258.59711	0.1
261.05453	0.4
263.07101	0.1
269.04474	1.0
269.07208	0.1
270.05219	0.8
271.05856	0.4
277.08456	0.1
279.06595	0.1
285.03891	1.1
286.04709	4.9
287.05002	0.1
291.06461	0.1
303.06488	0.7
305.04517	0.7
305.08008	0.1
313.08530	0.1
313.16748	0.1
319.05942	0.2
319.09509	0.1
331.10242	0.1
333.07681	0.2
341.08240	0.1
345.07629	0.2
357.07883	0.1
358.08337	0.1
361.07040	0.2
363.08673	0.3
369.07654	0.1
371.05252	0.1
375.08685	0.1
383.09152	0.1
385.07245	0.1
387.08609	23.6
388.08981	0.6
389.06534	3.6
390.07230	0.1
399.08691	0.5
407.07507	0.3
411.08694	0.1
413.06387	1.6
429.09341	0.1
431.07623	3.1
441.09805	0.2
453.10162	0.1
455.07623	0.5
465.09335	0.1
469.09650	0.1
471.10873	0.6
473.08755	0.1
479.08273	0.1
493.09201	0.2
495.10782	0.2
497.08673	3.7
498.09143	0.2
511.10242	0.3
515.09821	0.6
521.08942	0.1
538.09265	0.1
539.09680	100.0
540.10040	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	538.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52013	3.0
55.01869	7.6
55.05515	31.5
57.07074	9.4
59.34294	2.9
67.05508	29.4
69.03441	4.7
69.07076	20.4
71.04965	4.2
71.08637	4.4
71.52991	3.8
71.53355	4.1
79.05503	26.6
81.03419	15.6
81.07057	32.5
83.04978	11.6
83.08620	29.2
85.02912	4.7
91.05457	34.1
93.07043	43.3
95.04959	35.2
95.08614	31.3
97.06562	7.9
97.10165	9.3
99.04485	3.5
105.07029	32.4
107.04952	10.5
107.08588	12.8
109.02879	3.4
109.06508	6.0
109.10166	10.9
111.04379	5.9
111.08086	7.3
117.07034	12.4
119.08581	25.1
121.06519	8.0
121.10119	17.3
123.08060	7.0
123.11689	4.0
125.09634	7.9
129.06966	3.6
131.08565	15.5
131.56555	3.3
133.10136	24.2
135.08038	5.4
135.11688	12.6
137.09605	4.7
145.10132	26.3
147.11703	14.1
149.09586	21.1
155.08655	4.3
157.10135	6.2
159.11674	9.0
163.11212	31.3
169.10118	4.6
169.32111	3.3
173.09706	6.5
181.12262	4.9
186.26572	3.2
189.11209	5.9
193.12259	8.4
197.13213	5.4
211.13318	20.2
223.13272	22.1
227.12701	4.9
239.17943	10.2
249.83897	3.4
257.19009	15.5
275.20065	100.0
293.21091	47.7
313.27371	5.1
349.95258	3.4
351.90640	3.9
402.72440	3.5
450.43185	4.2
461.39203	3.4
538.37872	13.9
539.09363	5.3
539.39105	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	538.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	2.5
55.01862	4.0
55.05514	21.6
57.03432	3.4
67.05507	22.8
67.91059	2.4
69.03433	4.1
69.07069	15.6
70.59102	9.4
71.04993	3.9
71.08617	3.4
79.05493	29.6
80.94136	2.3
81.03423	5.2
81.07057	52.6
83.04985	4.7
83.08611	16.2
91.05462	17.2
93.07054	24.0
95.04967	14.3
95.08577	13.2
97.10168	12.5
99.04387	2.6
105.07033	8.6
107.04967	8.3
107.08610	16.2
109.06539	7.4
109.10153	6.9
111.04454	7.7
111.08103	3.3
117.07024	9.5
119.08586	16.5
121.06509	4.9
121.10123	7.4
123.08083	10.2
125.09624	8.3
129.07048	3.9
131.08568	10.9
133.06453	3.0
133.10139	6.8
135.08072	4.7
135.11703	3.6
136.50945	2.9
143.08574	5.3
145.10112	12.3
147.08093	8.1
147.11627	3.8
149.09599	7.2
149.13257	3.5
153.09076	4.9
157.10133	7.8
159.11729	7.1
161.09619	6.7
163.11191	7.2
165.09091	4.4
165.65207	2.7
175.11246	4.4
184.07484	2.6
189.11224	8.4
191.10628	4.8
195.13837	5.8
209.11652	4.6
213.74696	2.4
223.13376	4.3
227.12843	6.2
245.13834	2.8
245.19121	3.1
255.17546	3.8
273.18469	25.6
275.20200	4.5
291.19531	100.0
309.20630	5.6
485.32349	3.8
539.09973	3.8
539.39081	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	538.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.3
55.05500	2.4
57.03427	3.4
61.02903	1.1
63.30965	0.9
67.05490	2.7
69.03430	5.1
69.07056	3.5
69.20055	11.9
71.05011	1.4
72.77583	1.0
73.02915	6.0
79.05495	14.9
80.00642	1.1
81.07054	21.8
85.02905	6.6
91.05479	5.6
93.07050	8.5
95.04975	2.4
95.08611	7.0
97.02901	5.0
97.06545	3.4
103.05447	2.4
105.07034	7.1
107.08594	55.6
109.02830	1.5
109.06526	5.2
109.10159	1.9
115.03925	3.1
119.08569	4.0
121.06578	1.1
121.10138	17.0
123.08054	3.7
125.09637	4.1
127.03922	3.5
131.04918	4.8
131.08618	1.3
132.05261	1.6
133.04961	2.2
133.10112	4.5
135.11665	5.4
137.05992	5.8
137.09592	1.3
137.13266	2.1
138.06267	1.5
139.11160	1.2
145.04973	2.3
151.03876	1.3
161.05992	1.9
161.13255	14.4
163.03886	2.1
163.06125	1.4
163.07521	3.0
163.14819	5.6
167.07001	1.4
167.64737	1.1
173.13283	2.1
175.14839	1.6
179.14311	100.0
180.14665	1.3
191.14317	13.7
193.15846	3.6
209.15378	20.0
259.08035	1.1
287.16422	1.5
292.10583	1.5
295.10172	1.9
305.17422	1.6
323.18683	2.7
331.14914	1.1
348.72891	1.1
356.06439	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.7
55.01864	4.3
55.05507	12.2
56.15946	2.1
57.03423	7.3
57.07065	3.3
57.25760	1.6
59.05007	1.8
61.02911	6.3
65.03934	2.2
67.05512	10.2
69.03146	1.6
69.03433	18.1
69.07058	6.1
69.23353	1.6
70.61137	5.8
71.01365	1.8
71.04976	2.8
73.02911	27.4
79.05484	6.4
81.03425	3.3
81.07051	27.1
83.04977	16.1
83.08608	7.5
85.02902	25.4
85.06554	3.6
87.04471	2.6
91.05473	5.1
93.07037	9.7
95.04968	29.5
95.08591	7.8
97.02880	21.8
97.06538	8.3
99.04460	7.4
99.05820	1.8
105.07016	11.9
107.08588	21.6
108.53194	1.7
109.06522	21.8
109.10165	32.2
111.08072	4.3
115.03935	10.0
115.07552	3.3
119.08655	9.2
121.10148	22.6
123.08044	4.7
123.11694	8.7
125.09607	5.0
127.03889	8.0
131.08629	9.5
133.04965	10.2
133.10139	35.1
135.08064	5.0
135.11667	2.9
137.05975	2.1
137.09616	2.1
137.13211	2.3
139.11172	4.4
145.04984	8.8
145.10086	7.5
147.11684	7.6
149.13251	11.3
151.11179	13.3
153.09099	13.7
163.06038	2.6
163.14822	4.7
165.12758	2.9
167.14291	13.7
173.13234	18.5
175.14807	3.9
181.15787	2.0
191.14301	25.8
201.09642	1.8
209.15361	100.0
223.05998	3.1
227.16434	15.4
241.07117	2.9
259.08093	2.4
282.56900	1.8
316.74887	2.0
367.51880	1.9
395.89493	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	538.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87551	0.5
57.03433	0.6
61.02926	1.2
69.03415	2.1
69.87258	2.1
73.02879	0.5
81.03420	1.4
81.07039	0.5
85.02910	8.9
85.13653	0.6
91.05448	0.9
94.04173	1.8
95.04985	0.5
97.02875	2.4
103.05468	4.7
104.05820	0.5
105.07042	0.5
107.04951	1.6
109.02866	0.8
119.04938	0.9
120.27633	0.5
121.06513	1.5
122.03658	3.6
123.04450	0.5
127.03910	1.7
128.06236	0.5
129.06937	0.7
131.04932	15.8
132.05263	1.6
135.04417	0.6
137.05978	100.0
138.06348	1.5
145.04961	1.4
145.06473	1.0
147.04401	1.1
149.05983	2.1
151.03888	1.1
151.07547	2.7
157.06474	0.7
161.06013	1.4
163.07559	8.1
164.07907	0.7
165.05470	1.8
175.07495	1.6
177.05516	1.7
177.09041	0.8
178.06212	0.9
179.07068	0.8
180.08669	0.8
187.19727	0.5
188.08130	0.5
189.09082	1.3
191.07082	0.8
203.06934	0.5
203.08531	1.2
223.07773	0.6
223.09763	1.5
224.85925	0.5
231.08057	3.0
232.08817	0.6
248.08371	1.1
254.39458	0.5
259.07559	1.6
260.08215	0.5
263.10699	4.9
265.08411	0.9
274.09991	0.6
276.07632	0.7
279.10172	0.5
281.11819	0.9
288.05984	0.7
288.13159	0.5
291.10168	7.2
292.11026	0.5
298.11475	0.5
305.11691	2.5
309.11160	1.4
323.12833	7.4
341.13846	31.6
342.14273	0.5
359.14896	20.1
516.99207	0.4
520.20605	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.3
55.05519	22.2
56.31094	4.0
57.03426	15.5
57.07072	45.7
64.15199	3.8
67.05502	49.2
69.07056	16.2
70.48196	8.6
71.08640	30.4
73.01681	3.8
79.05492	59.1
81.03411	8.0
81.07051	48.8
83.04966	11.3
83.08594	17.8
85.10172	13.6
91.05483	52.0
93.07037	47.6
95.04965	19.4
95.08601	40.0
97.10175	12.1
98.21344	5.4
105.07045	29.7
107.08588	10.0
109.10121	9.5
119.08593	20.5
129.07005	14.0
133.10101	10.5
143.08548	5.2
145.10065	6.0
147.11678	28.5
161.09621	9.8
161.13168	8.5
167.61469	3.9
169.89063	4.0
171.11667	25.7
189.12735	14.8
207.13808	25.9
221.58195	5.4
276.37625	5.0
281.17496	44.4
297.99631	4.4
313.27374	77.2
494.05328	4.4
519.33179	7.7
519.40405	100.0
537.37866	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	538.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02325	0.8
53.03888	4.3
55.01813	2.7
55.05468	1.4
57.03374	2.5
59.95769	0.7
61.02858	4.2
67.05434	2.5
69.03358	13.0
69.78768	3.7
70.44662	0.7
71.04919	2.4
73.02845	2.7
77.03902	0.6
79.05494	13.2
79.05914	1.0
80.04963	1.1
81.03416	12.9
81.07051	10.6
82.06529	0.7
83.01295	0.8
83.04888	2.0
83.05352	0.6
85.02905	23.1
87.04395	2.3
91.03883	1.5
91.05466	8.2
93.07051	4.7
95.04967	6.5
95.08585	4.8
97.02890	13.0
99.04360	1.9
103.05466	10.0
105.07025	16.7
106.06548	5.4
107.04951	12.6
107.07333	4.3
107.08516	0.9
108.04412	0.8
108.08115	5.0
109.02878	19.3
109.06510	17.8
110.05972	0.9
111.04435	3.8
111.08083	10.8
113.05906	3.1
115.05388	2.3
117.05679	1.3
117.06944	3.1
118.06427	0.9
120.08092	10.7
121.06442	2.0
123.04365	2.0
123.07983	2.7
124.03886	1.3
125.05952	0.8
126.05457	0.9
127.03909	9.1
129.06912	1.6
130.06506	4.8
131.04929	5.7
131.07271	0.7
132.08089	40.1
133.06473	6.5
134.09573	2.1
134.52170	0.7
135.04344	2.8
137.05948	3.3
138.05389	1.3
141.05457	75.0
145.04953	3.4
146.09607	3.6
149.05925	1.5
151.03813	2.6
151.07570	5.9
153.05368	2.2
158.09570	1.9
161.05975	3.4
165.05463	5.1
166.03520	0.7
166.08542	2.9
167.07048	7.3
177.05406	0.8
178.08662	5.5
179.07037	6.2
184.11140	1.3
190.08592	0.9
191.14278	1.2
192.10060	2.0
193.08604	5.0
200.10686	1.3
209.15372	1.0
210.09091	1.6
210.12785	2.0
211.09645	56.6
212.53940	0.7
226.08540	1.2
228.10190	56.6
229.10614	1.1
230.11787	1.5
242.11842	1.2
252.13693	1.9
254.11780	1.5
256.13315	28.4
258.11316	4.7
258.14886	7.2
270.14813	2.7
270.39212	0.7
274.07755	1.2
274.10730	16.5
274.14163	1.4
280.13324	7.1
288.12326	13.0
296.06830	0.9
298.10959	1.4
298.14371	27.8
312.15875	2.0
322.10287	0.7
326.13852	25.1
330.17099	3.4
340.15417	3.8
344.14978	12.8
358.16467	85.7
373.15179	0.9
376.17529	100.0
377.17847	1.3
383.34927	0.8
520.21344	1.1
538.22858	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	537.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.8
55.01879	6.4
55.05514	21.3
57.03427	14.2
57.07074	32.4
60.85323	4.0
67.05510	55.2
69.07071	19.1
71.08635	29.7
73.10088	3.4
79.05498	65.2
81.03419	7.3
81.07063	49.4
81.33643	4.0
83.04977	11.6
83.08617	18.4
85.10186	13.7
91.05469	53.1
93.07048	63.5
95.04978	15.8
95.08606	39.3
97.06520	5.1
97.10161	10.7
98.20865	20.6
98.21558	7.9
105.07038	32.9
107.08592	15.4
109.06519	5.6
109.10144	14.5
117.06994	6.3
119.08575	19.8
121.10160	4.8
123.08022	5.8
128.38983	3.9
129.06982	15.7
133.10103	15.4
135.11642	4.9
143.08571	7.2
145.10118	9.2
147.11699	33.0
161.09602	6.6
161.13255	12.6
171.11649	28.6
182.83670	3.8
189.12764	15.1
207.13815	38.1
229.63263	4.5
230.60144	4.0
263.61575	4.1
281.17490	67.3
313.27368	88.6
350.89966	4.8
492.36456	5.0
519.40430	100.0
531.48505	5.1
537.38098	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	537.4144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.7
53.28747	2.0
54.52501	1.9
55.01865	4.3
55.05507	30.8
55.33226	1.7
57.03421	5.5
57.06804	3.1
57.07074	57.8
62.01835	1.9
65.03941	2.5
67.05502	38.4
67.45483	2.0
69.03408	6.0
69.07064	23.9
69.24879	2.1
71.04977	6.8
71.08625	42.5
79.05485	23.0
81.03417	50.4
81.07051	49.6
83.04984	11.7
83.08614	37.5
85.02892	21.6
85.06499	3.1
85.10179	17.8
91.05468	26.9
93.07040	14.0
95.04946	19.4
95.08604	35.2
97.02901	3.8
97.06519	6.1
97.10158	18.9
98.07323	2.3
99.11729	2.4
105.07011	18.9
107.04923	5.7
107.08588	10.2
109.06526	4.2
109.10148	15.3
111.04475	2.4
111.08067	10.1
111.11722	3.8
117.06976	2.1
119.08555	15.4
121.06481	4.6
121.10194	9.5
123.08043	3.2
123.11696	7.3
125.13313	2.4
129.06964	5.8
131.08578	9.7
133.10106	8.9
137.13254	2.5
142.07753	2.1
145.10089	3.7
147.11668	11.4
149.09557	5.0
157.10103	8.6
165.12762	3.3
175.11192	9.0
177.27547	2.0
193.12231	47.2
211.13292	54.7
253.25247	4.1
267.15884	8.0
280.28470	1.9
327.28958	3.2
339.25494	2.7
537.41870	100.0
538.41956	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	537.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	2.2
60.48531	1.3
65.03954	1.2
65.77545	1.0
67.05495	1.3
69.87119	7.0
70.06587	2.8
79.05482	5.6
81.03425	1.8
81.07068	1.8
84.08143	1.4
86.09684	1.2
89.03942	1.7
91.05481	10.3
93.07035	3.6
94.04189	3.9
95.04951	4.4
95.08583	1.4
103.05477	16.2
105.03426	1.3
105.07048	9.8
107.04955	7.6
107.08588	1.5
109.06544	2.6
109.10120	1.2
111.04387	1.5
115.05440	5.9
116.46637	1.0
117.07058	2.8
119.04945	5.2
119.08547	2.1
121.06497	2.8
122.03658	8.0
123.04438	2.0
128.06238	3.4
129.07008	5.0
131.04924	31.8
132.05630	1.7
133.02885	2.1
133.06497	7.0
135.04402	2.9
135.08020	2.0
137.05977	100.0
138.06345	1.4
144.05615	1.7
145.06488	2.5
147.04410	5.4
147.08057	2.8
149.05975	5.8
151.03937	5.7
151.07529	2.8
153.05528	1.3
155.06136	1.1
159.04395	1.4
159.08038	5.4
160.05174	2.4
161.05965	18.6
161.09619	1.3
162.06741	2.8
163.03922	2.7
163.07559	11.8
165.05505	1.7
165.07011	1.5
167.07014	4.6
167.08321	1.2
171.02591	1.1
172.05171	2.4
174.06671	1.4
175.07538	20.7
177.05470	2.7
178.07790	1.8
179.07008	3.8
179.08525	2.1
185.06064	1.3
186.06664	2.1
187.07545	16.5
189.05452	2.7
189.07022	2.6
189.09056	1.2
190.07768	3.8
191.07011	2.0
191.08592	4.9
193.08612	1.4
194.07259	1.6
199.07489	8.2
202.07819	5.7
203.06903	1.5
203.08563	7.1
205.06535	2.7
206.07262	2.7
215.08598	5.0
216.07808	1.7
217.06499	1.5
217.08508	1.6
218.07248	6.9
219.08092	12.5
220.08765	2.6
221.05940	1.7
221.09634	5.6
222.06659	1.4
223.07721	1.9
231.08046	7.3
232.08870	2.8
233.09695	3.5
234.06761	2.1
235.07608	1.4
236.08191	1.4
237.09038	1.4
243.08080	1.9
244.08784	1.3
246.06842	3.4
247.07552	5.7
248.08374	4.7
249.09050	8.0
250.06047	1.4
250.10045	2.1
251.06966	1.9
251.10681	7.3
259.07468	3.7
260.08319	2.9
261.09082	10.7
262.09982	1.3
263.07208	1.4
263.10706	3.5
264.07785	2.9
265.08514	6.6
268.07083	1.2
272.08191	1.1
275.07190	1.4
276.07971	2.0
277.08542	5.6
278.09354	4.2
279.06717	1.3
279.10162	8.3
281.08218	1.5
283.09607	1.9
285.11127	3.9
289.08597	9.5
290.09424	2.3
291.10196	7.1
292.10794	2.5
293.08182	1.4
293.11688	6.5
294.08807	1.9
295.09711	2.1
295.13132	1.6
297.11267	5.3
306.08875	1.5
306.12109	1.5
309.07739	2.7
309.11209	37.7
310.11621	1.6
311.12805	12.9
315.12411	2.1
321.11203	25.0
322.12030	1.7
323.12802	6.8
327.12433	1.4
335.12863	3.5
339.12271	3.2
341.13879	2.9
347.12656	1.6
353.13873	1.7
376.94931	1.3
459.18060	3.5
489.18399	1.9
519.20093	2.2
537.21155	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	537.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.1
55.01851	1.1
57.32259	0.5
62.53034	0.5
65.03931	1.2
66.04726	0.5
67.05497	0.7
69.03420	1.6
71.50950	0.9
79.05477	2.5
81.07061	1.3
83.46899	0.6
85.02885	3.2
86.09692	4.2
87.10011	0.6
91.05460	5.4
93.07069	0.5
94.04187	2.9
95.04967	2.9
97.02891	0.8
103.05469	9.0
105.03365	0.8
105.07021	2.7
107.04950	5.2
108.05261	0.5
109.06512	1.2
111.04458	0.8
115.05448	1.6
117.07021	1.2
118.04136	0.9
119.04932	2.0
120.08109	3.2
121.06495	1.8
121.08455	1.5
122.03651	8.1
123.04415	2.7
123.08125	0.6
124.05173	0.6
125.06003	0.7
127.03915	0.7
128.06218	0.8
129.07005	1.1
131.04913	16.8
133.02859	1.6
133.06509	1.6
135.04393	1.1
135.08061	0.9
137.05966	100.0
138.06313	0.9
139.03851	0.6
144.05721	0.6
145.04936	0.6
145.06512	2.5
147.04378	2.8
149.05983	1.9
151.03877	2.7
151.07547	3.5
152.04665	0.7
153.05460	2.0
157.06465	1.2
159.08080	1.1
160.05217	1.1
161.05966	8.3
162.94835	0.5
163.06163	0.8
163.07530	11.0
165.05472	1.0
165.07021	0.8
167.07033	11.5
169.06511	1.1
172.05098	0.6
173.06018	2.6
175.07545	4.0
176.04649	0.8
177.05464	1.7
177.09096	1.6
179.07021	1.8
181.04939	1.0
181.08603	0.6
183.06534	1.8
185.05991	2.1
187.07498	6.1
189.09181	1.0
191.06985	3.8
191.08484	0.7
193.08655	0.6
195.10132	2.1
196.10468	1.9
199.07500	2.6
201.09132	1.8
203.07111	1.9
205.06586	0.7
205.08542	2.0
206.07336	0.9
207.08037	0.7
209.08087	1.8
211.07561	1.5
213.09114	0.8
215.06995	2.1
217.08574	0.6
219.08067	1.1
221.06046	0.7
221.09636	0.6
229.08585	1.0
231.08122	0.7
233.09758	0.7
234.06776	1.4
235.07425	1.1
239.07147	0.8
239.13933	1.2
247.07637	1.1
248.08247	0.7
249.09056	2.0
251.06895	0.9
251.10690	0.7
261.09122	0.8
262.06097	0.7
264.07800	1.0
265.08603	1.3
267.10165	1.1
275.07211	0.6
275.10370	0.7
276.07941	0.6
277.08521	3.1
279.06674	0.8
279.10095	1.3
283.09775	0.9
291.09979	0.8
293.08017	0.7
295.09512	0.9
297.11404	0.7
307.09631	1.7
309.11212	3.1
311.09308	1.0
311.12863	1.5
313.10721	0.7
319.09555	0.7
321.11148	1.3
321.18106	0.8
325.10730	1.9
326.11783	0.7
327.12274	2.4
335.12802	1.9
337.10559	0.8
339.12372	3.5
341.13953	0.8
345.13196	1.7
347.12854	1.0
353.13763	2.0
357.13336	1.9
365.13821	2.2
369.13385	0.8
383.14572	0.6
489.18936	0.9
507.20139	0.6
519.19702	1.3
537.21216	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42881	1.2
53.03936	1.8
54.97780	1.3
55.01872	1.9
55.69229	1.2
57.03434	1.0
60.46720	1.2
65.03932	1.6
67.05511	4.9
68.20605	1.2
69.03451	1.3
70.06588	4.4
70.39014	1.2
71.51009	1.5
72.08191	1.3
75.61996	1.2
78.04708	1.3
78.43842	1.2
79.05490	6.8
81.03409	3.8
81.07051	3.6
83.05029	1.9
84.04500	1.8
84.08128	3.5
85.02911	3.4
86.09700	6.7
91.05476	12.4
93.07042	3.7
94.04183	5.9
95.04971	7.3
103.05469	31.0
105.03409	1.2
105.07027	11.6
107.04927	9.5
107.08579	3.5
109.02893	3.0
109.06523	2.7
109.10155	2.1
111.04463	1.7
115.05431	7.0
117.07063	2.2
119.04910	6.7
119.08567	4.2
121.06497	4.1
122.03656	10.8
123.04390	2.0
127.03865	1.3
128.06239	2.7
129.07008	3.4
131.04927	61.2
131.08644	1.6
132.05699	2.6
133.02837	3.5
133.06509	6.6
135.04440	2.4
135.08022	2.8
137.05971	100.0
137.09563	2.7
138.06285	2.5
143.04897	1.5
144.05728	1.7
145.06506	2.9
146.03598	1.9
146.06030	2.9
146.07172	1.2
147.04384	7.3
147.08084	4.0
149.06010	5.9
151.03906	9.8
151.07523	6.5
153.05502	1.6
155.04858	1.5
157.06497	2.1
159.08067	3.1
160.05183	2.0
161.02293	1.5
161.05956	19.4
162.06804	1.8
163.03871	2.8
163.07524	23.5
164.07048	2.3
165.05547	2.9
165.07050	3.9
167.05733	2.3
167.07042	8.8
167.08397	2.2
169.06607	1.5
173.05888	1.8
175.07538	19.1
177.05461	3.1
177.09088	2.4
179.07037	4.4
179.08640	1.4
184.05402	1.3
185.05956	2.1
187.07562	13.3
189.07014	2.9
189.09137	2.2
190.07771	3.5
191.07010	2.3
191.08577	5.1
193.08653	2.9
193.10159	1.9
194.07266	2.6
195.08055	2.3
196.09689	4.4
199.03986	1.8
199.07530	8.1
201.09093	2.2
202.07814	3.8
203.08578	6.7
205.06618	2.0
205.08488	1.6
206.07281	2.0
207.08157	4.0
209.09746	1.7
215.08530	2.8
217.06752	1.7
217.08681	3.5
218.07304	4.6
219.08070	8.6
220.08836	2.5
221.06001	2.2
221.09663	4.2
222.06802	2.5
223.07585	2.1
224.08405	1.6
225.09129	2.8
231.07986	7.6
232.08862	2.2
233.06099	1.5
233.09598	4.6
234.06808	3.5
235.07457	5.4
235.11249	1.4
236.08148	1.7
237.09096	4.2
241.08727	1.5
246.06764	3.0
247.07504	5.9
248.08362	5.4
249.09041	7.6
250.06123	1.4
250.09930	2.6
251.06947	1.9
251.10776	6.6
253.08653	3.0
259.07358	3.1
260.08179	2.2
261.09070	7.1
263.07123	2.9
263.10690	4.1
264.07776	2.1
265.08606	7.4
265.11438	1.5
266.09567	1.4
267.10165	2.4
269.07776	1.2
275.10635	1.5
276.07895	2.8
277.08566	8.5
278.09341	2.2
279.06165	1.5
279.10187	7.5
281.08200	1.9
283.09692	3.7
285.11282	4.1
289.08539	6.8
290.09323	2.4
291.10104	9.0
292.11020	2.2
293.11655	5.6
294.08926	1.8
295.09717	3.0
297.11203	8.4
303.10168	2.7
307.09665	2.0
309.11191	28.3
310.11774	2.6
311.12631	8.8
313.10699	1.6
315.12363	1.9
321.11212	17.8
322.12030	1.9
323.12762	7.8
327.12283	2.9
335.12759	3.8
339.12347	4.2
341.13712	4.0
345.13181	1.7
353.13971	7.6
365.13785	4.0
378.20108	1.7
383.14890	3.6
427.15250	3.7
439.15329	2.8
447.17798	1.9
459.18140	9.0
471.17822	4.5
477.23444	4.5
489.18906	3.7
501.18930	1.5
502.31924	1.3
519.20129	2.9
526.00336	1.3
537.21552	6.4
537.29272	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	537.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.9
55.01865	0.8
56.04983	0.4
57.75703	0.4
58.26022	0.4
65.24795	0.4
66.04716	0.9
67.05486	0.4
69.03416	0.4
70.06610	0.5
71.51787	0.6
73.02893	0.4
79.05485	1.5
81.03424	0.5
81.07055	0.5
85.02882	1.1
86.09705	2.1
91.05484	3.2
93.07049	0.6
93.27876	0.5
94.04202	3.4
95.04951	2.6
103.05473	8.6
103.63506	0.4
105.03396	0.8
105.06387	0.6
105.07030	3.5
107.04985	2.6
109.06462	0.8
111.04480	0.5
115.05431	1.5
117.06997	1.2
119.04929	1.6
120.08101	1.4
121.06528	1.1
121.10136	0.5
122.03653	7.6
123.04417	1.9
128.06232	0.5
129.07016	1.0
131.04926	14.7
133.02896	0.8
133.06464	1.9
135.04424	1.2
135.08038	0.6
137.05975	100.0
138.06357	0.7
140.04617	0.6
144.05768	0.9
145.06450	1.5
146.03600	0.7
147.04385	2.1
147.07941	0.5
149.05975	1.8
151.03891	2.3
151.07526	2.2
153.05460	1.1
155.07083	1.1
157.06462	0.8
159.08075	1.5
160.05234	0.7
161.05983	5.4
163.07539	6.4
165.05482	0.8
167.07022	8.4
169.06442	0.6
172.05188	1.0
173.05991	0.9
174.06956	0.5
175.07623	3.0
175.08971	0.6
177.05469	1.6
177.09102	2.1
179.07074	1.7
181.05017	0.9
181.08620	0.9
183.06493	1.6
185.05981	0.9
187.07553	5.5
189.09087	1.1
191.07031	3.6
191.08609	1.1
195.10065	0.5
199.07544	2.0
201.09120	1.4
203.06972	1.0
204.07799	0.5
205.06679	0.7
205.08644	1.8
206.07199	0.5
209.08119	1.3
211.07605	1.3
213.09151	0.7
215.06960	2.5
217.08638	0.8
218.07439	0.7
219.08046	1.8
223.07680	0.5
229.08600	1.6
234.06584	0.9
235.07576	0.7
237.09111	0.6
239.07031	0.6
247.07465	1.1
249.09125	1.2
251.10696	0.5
261.09216	0.9
263.06934	0.5
267.10281	0.5
272.98364	0.5
275.07028	0.8
277.08636	2.1
279.10278	0.7
281.11777	1.0
283.09744	0.6
291.10098	0.8
294.08862	0.5
295.09772	0.8
303.10156	0.7
307.09787	0.7
309.11081	2.8
311.12616	1.1
313.10788	0.5
315.12366	0.7
325.10779	0.8
327.12180	1.6
335.12564	1.3
339.12473	2.6
341.13821	0.8
342.35873	0.6
345.13437	0.9
347.12946	0.6
353.13989	1.0
357.13235	1.7
365.13824	1.8
507.19949	0.6
519.20386	0.9
537.21118	0.8
537.28516	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	2.0
53.03933	3.7
55.01862	4.9
65.03933	2.8
67.05483	3.5
69.03421	4.4
69.07083	1.8
70.06629	1.5
70.07019	5.3
70.07419	2.6
71.01311	1.5
73.02911	3.6
79.05498	5.1
81.03425	10.6
81.07046	4.3
85.02892	5.8
91.05466	11.5
93.07018	1.8
94.04183	3.1
95.04960	8.7
95.08582	2.5
97.02912	3.3
103.05454	42.1
105.07020	12.2
107.04948	5.6
107.08575	3.5
109.02880	2.4
109.06471	1.6
111.04435	3.2
115.05465	6.5
117.07016	3.0
119.04952	7.8
119.08562	2.4
121.06493	4.6
122.03629	7.6
123.04419	6.0
123.08053	5.2
124.08387	2.3
127.03905	3.1
129.06996	7.1
131.04916	64.4
133.02824	2.9
133.06493	7.9
133.10022	2.1
135.04425	4.4
137.05968	100.0
143.61002	1.6
145.06465	3.0
147.04428	10.6
147.08075	3.1
148.05173	3.9
149.05991	6.4
151.03899	36.6
151.05005	2.3
151.07565	3.5
151.11130	3.0
153.05502	2.4
157.06508	3.5
159.08026	6.9
160.05211	2.1
161.05959	23.8
161.09665	4.0
162.06732	2.4
163.03880	5.4
163.07521	52.0
165.05432	5.9
165.06798	1.6
167.07002	6.3
172.05185	6.6
173.06133	1.5
174.06758	5.2
175.07495	12.6
177.05492	3.6
177.08949	1.7
179.07034	8.5
179.14342	2.0
185.06006	1.9
187.07547	29.7
188.08255	1.9
189.09085	15.3
191.06987	4.0
191.08620	3.1
193.08615	4.1
195.08118	1.7
197.05966	2.9
199.07443	2.0
201.09016	2.4
202.07756	3.7
203.07011	7.4
203.08656	3.3
205.06627	3.1
205.08588	11.6
207.08141	2.8
208.14201	1.9
211.07500	1.9
212.08163	1.6
214.06311	2.2
217.08572	6.5
218.07216	1.6
219.08009	4.2
219.10085	2.1
231.07976	4.9
233.06079	1.9
235.07486	2.2
239.93759	1.6
247.07562	3.8
248.08148	2.8
249.09140	3.8
251.10799	2.3
253.08588	4.0
255.10156	4.5
261.09082	5.0
263.06921	2.7
263.10760	3.7
264.07755	2.3
265.08725	3.8
267.10187	2.1
270.08813	2.2
276.08026	1.9
277.08618	4.8
279.10086	5.8
281.07996	4.0
281.11624	2.1
289.08627	3.4
291.10181	5.4
293.08429	2.7
293.11588	3.3
295.09698	1.9
297.11160	5.2
307.09784	11.2
308.10391	2.1
309.11182	19.7
311.12781	8.5
312.13324	2.5
321.11166	5.8
323.12686	5.3
324.13629	2.9
327.12170	4.3
339.12347	3.7
341.13895	6.5
342.14685	3.7
357.13278	5.2
375.14380	3.6
471.17914	1.9
537.21124	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	536.371
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.9
56.05019	0.6
56.71104	0.2
57.07075	0.3
58.06601	0.6
60.08160	5.7
67.05477	1.0
69.07049	0.5
71.03233	0.6
71.03578	0.3
71.07374	2.7
71.08613	0.4
79.05491	0.4
81.07038	1.1
83.08617	0.6
85.89952	0.3
86.09701	26.7
91.11147	0.3
93.07013	0.3
95.08587	0.3
97.10141	0.5
98.98457	3.0
104.10740	3.0
105.06998	0.4
107.08617	0.3
108.70673	0.3
117.07023	0.3
119.08536	0.4
124.99992	19.3
143.01041	0.3
167.05560	0.3
184.07327	100.0
186.83797	0.2
275.20117	0.4
299.06244	0.7
362.58524	0.3
390.77420	0.3
427.77710	0.3
447.31171	0.3
474.75970	0.3
518.35919	0.9
536.36768	2.9
537.37408	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.139
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96484	0.5
53.02466	0.4
53.17496	0.4
53.38483	0.4
55.01857	0.6
56.05008	0.8
57.29905	0.5
60.08162	8.1
61.08493	0.7
67.05473	1.6
69.83669	2.4
71.07369	3.8
78.04695	1.3
79.05460	1.2
81.07027	0.9
81.77221	0.5
84.31495	0.5
86.09704	36.1
87.10031	4.7
90.04712	0.6
91.05455	1.4
93.07027	1.0
95.04926	0.8
95.08601	0.6
98.21487	0.7
98.98452	4.1
102.04676	1.0
103.05456	5.5
104.06257	3.7
104.10075	1.0
104.10738	16.4
105.03398	0.5
105.07021	4.5
105.11062	2.0
107.04952	0.5
115.05415	2.1
117.03379	1.3
118.04163	2.3
119.04913	0.6
121.06491	0.7
125.00003	26.4
126.00311	1.5
127.00401	0.9
130.04120	1.8
131.04924	21.0
132.05707	20.6
133.06502	3.6
135.04349	1.0
137.02286	0.5
143.04874	0.6
145.06555	0.4
146.03604	2.0
147.04366	1.3
148.05173	1.1
149.05949	1.5
151.03928	0.5
153.01813	5.6
160.05194	6.4
161.04666	0.5
161.05986	9.5
162.03122	0.8
163.03865	1.1
167.05582	0.5
167.06966	1.0
176.04683	1.8
177.05492	3.4
178.06248	3.1
179.29544	0.5
181.08635	2.6
184.07335	100.0
185.07689	17.4
186.07794	4.3
191.07033	3.5
192.07724	4.5
203.03404	7.2
213.05466	1.2
213.88594	0.5
216.04166	6.0
229.04950	9.1
241.04916	1.1
242.05721	9.0
244.03673	0.6
253.05089	0.9
257.04434	66.5
258.05206	13.3
259.05902	0.9
266.71649	0.5
269.04385	1.8
270.05240	1.6
271.05896	0.5
272.03207	0.9
272.06635	0.8
274.04639	0.6
283.06079	0.6
285.03992	8.7
286.04706	21.3
287.05481	27.7
297.04016	1.3
299.05658	0.8
300.06183	2.8
311.05362	0.5
315.05173	0.8
323.05475	1.1
327.05139	0.6
345.07507	0.6
385.06952	0.8
399.08646	0.6
402.07065	0.7
412.05771	0.6
413.06262	0.7
417.09644	1.0
419.07477	1.3
445.09198	8.2
447.07129	1.4
462.09274	1.0
477.11807	28.7
478.12289	1.3
500.31238	0.6
501.31467	0.9
518.32501	4.4
519.32654	6.1
536.31049	0.5
537.13910	96.9
538.13849	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	536.3347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.7
56.05021	0.6
57.03426	0.4
58.06591	0.5
60.08165	8.4
67.05492	1.2
69.07047	0.8
70.02395	2.0
71.07365	3.5
73.04749	0.4
79.05470	0.8
81.07037	1.4
86.09706	34.7
86.84845	0.3
91.05779	1.2
93.07037	0.8
95.08631	0.7
98.98459	2.7
101.00070	0.4
104.10740	18.7
107.08610	0.7
108.09237	0.3
125.00005	20.3
129.48135	0.4
129.69250	0.4
163.01579	0.4
167.05544	1.3
184.07343	100.0
225.04199	0.4
283.02979	0.7
299.06107	2.7
323.05481	0.5
382.31137	0.9
518.32324	2.4
536.33441	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	536.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.7
55.01866	1.1
55.05503	5.1
56.05029	0.8
57.03434	0.9
57.07063	0.7
59.92541	0.5
60.08160	6.1
67.05510	6.5
67.96808	0.5
69.07059	4.3
70.57097	1.9
71.04980	0.6
71.07357	3.6
71.08591	0.8
75.74566	0.5
79.05498	6.0
79.05927	0.8
81.03406	1.9
81.07054	8.0
83.04977	1.6
83.08611	4.3
86.09705	32.2
91.05468	7.0
93.07046	8.1
95.04969	5.9
95.08591	4.6
97.06526	1.6
97.10151	2.0
98.98460	3.4
104.10737	9.7
105.07029	7.2
107.04939	2.0
107.08599	5.0
109.06513	1.3
109.10149	2.6
111.08076	0.9
117.07020	2.8
119.08582	5.6
121.06438	1.3
121.10167	3.0
123.04529	0.7
123.08046	1.1
124.99107	1.0
125.00002	20.2
125.09599	1.4
129.06944	0.7
131.08580	2.9
133.10124	5.1
135.08047	1.5
135.11659	1.6
137.09613	1.0
143.08540	1.2
145.06519	0.9
145.10114	4.5
147.08087	0.9
147.11674	1.9
149.09602	5.2
149.13263	1.1
154.68286	0.5
155.08507	1.0
157.10129	1.0
159.11694	2.6
161.09567	0.9
163.11182	5.4
165.12782	0.7
167.05544	0.7
173.09575	0.7
175.11205	0.8
177.12708	1.3
183.11722	1.0
184.07335	100.0
185.13191	0.7
189.11232	1.1
193.12227	2.1
209.11610	0.9
223.13367	4.8
227.12840	0.9
239.17929	3.2
242.08054	0.6
257.18979	4.5
271.16983	0.6
275.20059	23.8
289.17975	6.3
293.21109	8.0
294.34818	0.7
299.06149	1.8
307.18973	1.0
518.36090	1.6
536.37128	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	536.3343
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05025	0.5
57.03419	0.1
58.06629	0.5
59.07384	0.1
60.08160	6.0
67.05503	0.6
69.07083	0.1
69.30313	0.1
69.30634	0.8
70.06558	0.2
70.26637	0.1
71.07372	2.7
71.07761	0.1
79.05480	0.3
81.07054	0.5
86.09702	29.1
87.10024	0.2
93.07047	0.2
95.08611	0.2
98.97801	0.1
98.98457	2.6
104.10738	3.0
105.07034	0.1
119.08524	0.1
124.99996	19.6
143.01013	0.3
147.35849	0.1
184.07330	100.0
185.07681	0.4
258.10931	0.3
266.13837	0.1
351.25247	0.1
366.65485	0.1
500.31299	0.8
518.32404	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	536.3342
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05011	0.5
57.03424	0.4
60.08159	5.4
67.05489	0.7
71.07362	2.8
71.20572	0.9
72.74326	0.4
77.97283	0.3
81.07036	0.5
86.09702	27.1
93.07040	0.4
95.08594	0.5
97.19633	0.4
98.98452	2.5
104.10733	2.8
124.99996	20.6
125.99342	0.4
130.86945	0.4
143.74632	0.4
184.07329	100.0
257.04434	0.4
351.24927	0.4
500.31055	1.2
518.32361	3.8
537.14197	0.5
547.39362	0.5
559.00604	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.3
57.03437	6.0
60.74170	0.9
61.02926	4.6
67.05493	1.7
69.03426	11.9
69.07050	1.2
70.06573	1.3
71.01347	0.9
71.50935	1.6
73.02924	17.0
75.45809	0.9
79.05472	2.5
79.53333	0.7
81.03410	2.7
81.07052	2.2
83.04990	2.0
85.02905	23.9
86.09715	1.3
93.07022	2.7
95.04951	2.8
95.08602	4.9
97.02887	17.9
97.06528	1.2
99.04430	2.2
105.07013	1.6
107.08579	4.4
109.02864	2.1
109.06494	2.7
109.10136	2.0
111.04441	1.7
115.03926	8.0
119.08610	2.0
121.06487	1.0
121.10147	9.5
122.03632	0.8
123.08067	100.0
126.16110	0.9
127.03922	8.8
133.04944	9.6
133.75569	0.9
135.11681	3.3
137.05951	5.1
137.09601	1.1
137.13249	1.0
145.04967	8.7
147.11655	1.2
149.09628	3.0
151.03854	1.9
151.11137	1.4
163.03894	1.5
163.06036	3.8
163.11215	1.0
167.06990	1.1
167.10667	1.7
175.14699	1.0
177.05536	1.0
177.16411	5.2
181.12233	14.4
189.12750	1.6
207.13754	6.3
223.05864	1.3
225.14851	38.0
241.07059	2.4
259.08060	2.4
263.12946	0.9
277.09125	1.0
295.10309	2.1
331.94220	0.9
483.87323	0.9
536.19635	1.1
537.19501	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.9
55.01859	2.1
57.03431	3.4
60.04512	1.6
61.02922	6.1
69.03426	13.1
70.77719	2.9
70.78079	1.2
71.05003	3.0
73.02909	2.4
74.06075	1.7
79.05495	2.6
81.03414	7.7
85.02907	72.4
86.50884	1.0
87.04455	2.9
91.03947	5.2
91.05447	1.6
97.02307	1.6
97.02893	22.0
99.04455	3.0
103.05458	7.2
105.07014	4.1
107.04958	10.4
109.02866	8.0
115.05416	1.4
117.07069	1.7
119.09866	1.1
122.03681	1.2
123.04421	1.4
127.03925	19.2
131.04907	4.7
133.06471	1.0
135.08054	9.5
137.05981	11.1
139.03900	4.6
140.06946	1.3
144.06569	3.0
145.04962	30.4
145.06296	1.8
145.06514	1.7
151.03896	1.5
154.06242	43.6
159.08063	1.3
162.07593	1.3
163.03871	1.3
163.06029	9.1
163.07541	31.5
165.05379	1.3
167.07004	2.4
180.07724	1.8
180.48012	1.1
195.10179	100.0
215.49736	1.1
243.30962	1.1
287.05704	1.3
288.05777	1.6
332.03473	1.1
528.49432	1.2
536.21582	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3629
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	8.0
55.05516	40.0
60.08163	9.1
67.05501	94.7
69.07085	25.5
71.04999	5.4
71.07338	4.8
71.52858	9.0
79.05482	48.3
79.31722	4.8
81.03415	20.9
81.07052	89.9
83.04991	15.1
83.08614	30.0
85.02859	7.9
85.06530	8.9
86.09702	40.5
86.94463	4.4
87.10046	6.5
91.05454	48.0
93.07046	65.3
95.04945	17.0
95.08620	45.5
97.06541	9.2
97.10165	18.8
97.18950	5.2
98.98475	8.5
103.29320	5.3
105.07045	37.8
107.04948	5.2
107.08595	33.5
109.10149	22.7
111.04482	6.1
117.07029	16.1
119.08558	27.5
121.10137	23.3
123.11684	9.3
125.00004	28.1
125.09694	12.5
129.07040	13.0
131.08533	26.6
133.10156	27.4
135.08049	6.6
135.11716	27.3
143.08588	8.8
145.10106	23.4
147.11685	23.0
149.09584	8.4
153.12825	6.9
155.08548	11.7
157.10165	14.2
159.11728	16.8
161.13284	9.3
163.11218	14.3
171.11674	16.5
173.13239	6.8
175.11267	8.6
177.12762	6.9
181.12286	8.6
183.11743	9.9
184.07336	100.0
185.07819	26.1
187.11174	4.6
189.11151	7.7
193.12247	15.8
211.13309	19.6
215.18086	7.5
227.55916	5.4
233.19028	11.9
239.18076	6.5
257.18912	5.8
275.20581	6.1
285.16965	8.4
407.29483	8.9
425.30347	10.0
443.31165	6.3
499.34094	22.3
517.35217	41.3
535.36707	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	534.3187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80833	0.3
55.01837	0.5
55.05503	0.5
56.05018	0.6
56.96516	0.5
57.03429	0.5
60.07895	0.5
60.08161	6.7
67.05481	1.1
69.07040	1.0
69.24537	2.6
69.24970	1.2
70.46339	0.3
70.47643	0.4
71.07365	2.6
72.08131	1.0
74.77784	0.3
78.06482	0.3
79.05475	1.1
81.03400	0.7
81.07040	1.4
82.77042	0.3
83.04990	0.4
83.08572	0.3
85.02897	0.4
85.06535	0.4
86.09698	30.4
91.05460	1.1
93.07056	0.7
95.08595	0.7
97.02846	0.4
97.06513	0.9
98.21505	0.8
98.98457	2.8
104.10731	3.9
105.07010	0.9
109.02883	0.4
115.05454	0.4
119.08594	0.7
121.10136	0.5
124.99988	21.6
133.10083	0.4
138.69904	0.3
143.01097	0.5
145.10048	0.4
170.05649	0.3
184.07323	100.0
215.31284	0.4
228.90102	0.4
258.05380	0.4
426.32996	0.3
498.29517	0.7
516.30646	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	534.319
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05035	0.6
56.96558	0.2
58.06367	0.2
58.06628	0.4
59.07393	0.2
60.08164	6.0
61.43171	0.1
64.45315	0.1
66.16518	0.1
67.05526	0.3
69.07057	0.2
70.06581	0.2
71.06291	0.3
71.07374	3.1
72.18015	0.1
72.37595	0.1
79.05489	0.3
81.07050	0.3
86.09705	31.1
89.06529	0.1
89.90143	0.1
91.05483	0.1
93.07056	0.4
98.98470	3.0
104.10742	3.0
105.07037	0.2
119.08569	0.2
125.00005	21.8
143.01093	0.3
144.16789	0.1
184.07341	100.0
185.07639	0.4
199.12964	0.1
207.36917	0.1
231.89470	0.1
236.79684	0.1
258.11078	0.3
318.58685	0.1
363.03571	0.1
366.97726	0.1
454.87622	0.1
498.29834	0.7
516.30859	2.9
534.31683	0.1
535.58057	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.4881
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.4
55.05515	8.8
56.05041	5.5
57.07072	5.0
58.06582	0.8
60.04522	4.5
65.03931	1.0
67.04235	0.8
67.05506	17.6
68.05011	1.7
69.07065	11.5
70.06572	2.3
71.08608	2.0
71.51107	0.9
73.73128	0.5
79.05490	14.8
80.05022	5.2
81.05781	2.3
81.07053	15.2
82.06577	9.2
83.04943	0.7
83.08613	5.9
85.10163	0.8
91.05479	11.5
91.69598	0.5
93.05785	1.0
93.07047	12.0
94.06568	23.4
95.04954	1.9
95.07341	10.7
95.08609	10.6
96.08121	7.1
97.10168	3.9
98.06057	0.5
100.07594	0.9
103.16807	0.5
105.07019	7.9
106.06560	0.5
107.08583	6.4
108.08133	4.0
108.08757	0.8
109.10156	3.2
109.33418	0.6
111.11673	0.8
112.07613	0.5
117.06941	0.6
119.08573	6.8
120.08089	0.9
120.77021	0.5
121.08836	1.1
121.10139	6.1
122.09680	2.5
123.11685	1.2
133.10118	4.2
134.09637	0.7
135.10599	1.0
135.11682	4.3
136.11176	1.3
137.13213	0.9
147.11662	1.7
149.13263	1.5
161.13243	1.2
163.14836	0.7
182.18944	0.5
191.17882	1.0
219.20987	0.8
230.08324	0.5
233.22607	4.9
234.22232	1.0
245.22589	3.7
250.25308	10.5
260.64645	0.5
262.25287	100.0
263.25623	1.6
272.25766	4.6
280.26343	9.7
322.00320	0.6
504.47714	3.1
516.47723	6.9
534.48651	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	535.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.9
55.01854	0.7
57.03415	1.1
61.02895	0.7
65.03923	1.2
67.05490	0.6
69.03420	5.2
70.06587	0.8
71.51422	1.1
79.05486	2.2
81.03407	6.8
81.07005	0.6
85.02905	7.2
91.05475	12.5
93.07053	1.3
94.04166	1.6
95.04964	2.6
97.02881	2.0
99.04456	1.0
103.05465	4.0
105.07030	2.5
107.04308	1.0
107.04959	12.8
109.02880	5.3
110.01646	0.6
115.05460	1.8
117.07022	1.3
119.04945	9.6
121.06509	2.8
122.03632	4.0
123.04460	1.3
127.03913	5.0
129.06966	0.6
131.03398	1.4
131.04913	2.1
133.06500	2.3
135.08032	4.5
136.05206	1.4
137.05974	100.0
138.06343	1.1
141.06967	0.8
145.06511	1.6
147.04427	5.7
147.08005	1.3
149.05983	1.9
151.03967	3.1
151.07538	71.0
157.06654	0.6
159.08038	1.6
161.05974	4.6
162.06879	0.7
163.07541	11.8
164.04715	1.7
165.09123	0.6
167.07034	19.7
168.07759	1.0
173.06013	0.8
175.07578	2.5
177.05432	3.2
177.09058	1.2
179.07027	62.8
180.07573	1.2
181.08592	30.5
187.07547	2.3
190.06306	0.7
191.07037	2.0
193.08636	3.5
195.06456	1.1
195.10190	8.1
197.05885	0.8
203.07068	1.6
205.08582	2.3
207.10127	4.3
209.11685	1.2
211.07724	0.7
211.09712	1.8
212.10495	0.7
213.11127	4.6
215.07108	0.7
217.08612	1.5
219.10063	1.3
221.07936	0.9
223.09662	3.0
225.11229	3.4
229.08514	0.9
231.10249	0.9
233.07970	0.8
237.11163	1.5
247.09573	0.8
253.08482	0.7
259.09711	1.1
303.12268	1.6
309.11215	0.9
321.13400	1.8
323.11685	0.9
327.12268	0.9
362.58319	0.6
373.16696	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35325	0.2
56.05034	0.6
58.06604	0.5
60.08165	6.8
66.70581	0.2
67.05496	0.7
69.21024	2.6
71.07372	2.9
73.48409	0.2
79.05488	0.4
81.07033	0.3
83.41063	0.2
86.09704	30.1
91.05477	0.3
93.07059	0.5
95.08582	0.2
98.20731	0.5
98.42953	0.3
98.98470	3.1
100.40671	0.2
104.10735	3.3
117.98747	0.2
125.00003	20.5
143.01091	0.5
184.07336	100.0
185.07654	0.3
258.11026	0.3
276.08066	0.3
434.22766	0.6
516.31146	1.2
534.31915	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	534.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	0.2
56.05029	0.6
58.06628	0.6
60.08162	7.7
62.95839	0.1
66.24020	0.1
67.05507	0.3
70.03931	0.5
70.06579	0.2
71.07370	3.9
71.08634	0.3
79.05518	0.2
81.07014	0.2
82.98233	0.1
83.08610	0.2
86.09703	37.3
87.10016	0.2
91.05483	0.2
93.07005	0.2
95.04994	0.1
95.08638	0.1
97.04177	0.1
98.21497	0.2
98.98462	3.5
104.10741	4.4
107.08573	0.3
111.52016	0.1
125.00001	26.4
131.67166	0.2
138.86118	0.1
143.01031	0.3
166.02670	0.1
184.07335	100.0
185.07687	0.3
242.59148	0.1
258.11151	0.2
351.25360	0.2
482.31638	0.1
516.30933	0.8
534.31897	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	534.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
57.43919	0.4
69.03436	0.9
70.64749	1.0
79.05468	0.5
81.03413	0.4
85.02901	2.1
89.03903	2.7
95.04951	0.9
96.03122	0.4
96.46824	0.4
97.02913	0.8
107.04963	1.3
117.03392	4.3
135.04411	10.6
145.02844	8.3
145.03996	0.5
151.03905	0.7
163.03899	100.0
164.04257	0.8
175.38808	0.4
193.07053	1.5
354.15509	0.4
355.10269	0.9
534.20703	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3473
Annotation	24-Epiquadrangularic acid G
Peak:m/z	Relative Intensity
50.36237	3.4
53.03928	7.1
54.48314	4.0
55.01855	11.4
55.05514	29.7
57.03418	16.4
57.07077	6.4
67.05506	88.6
69.03413	4.8
69.07069	63.6
69.31820	21.2
69.32245	18.3
71.04980	6.7
73.06521	6.7
79.05497	81.0
81.03411	21.9
81.06592	6.8
81.07051	100.0
83.01307	4.3
83.04981	4.5
83.08603	15.5
85.06503	5.5
91.05477	94.6
93.07037	79.9
95.04947	13.1
95.08607	79.5
97.06535	26.1
97.10165	7.3
98.21478	9.1
105.07032	55.9
107.04942	11.9
107.08590	51.6
109.06477	10.6
109.10142	30.7
111.08056	7.6
117.07008	45.2
119.08566	55.5
121.06464	7.6
121.10135	26.4
123.08024	9.7
123.11681	9.6
125.05959	7.9
125.09639	24.8
125.71352	3.8
129.06981	15.2
131.08566	42.5
133.10147	34.7
135.08038	30.4
135.11696	24.0
137.09567	12.8
138.58440	3.7
143.07027	32.0
143.08530	21.4
145.10104	40.9
147.07985	7.2
147.11684	21.0
149.09586	8.4
149.13240	12.2
151.11145	4.1
153.09097	30.0
157.10132	14.3
159.08035	5.2
159.10535	5.3
159.11650	29.6
161.08087	11.0
161.09622	9.2
161.13255	13.9
163.07513	5.7
163.11177	6.7
163.14911	5.5
167.08490	3.9
169.10150	7.6
171.11676	14.7
173.09557	4.5
173.13214	23.8
175.14906	7.5
178.53981	4.9
181.08659	9.0
181.10156	6.0
183.11655	7.3
185.13226	12.4
187.14816	8.1
195.11809	5.4
195.13710	3.9
197.13249	6.4
198.55569	4.3
199.09642	18.0
199.14832	8.5
221.13113	4.4
255.12225	16.6
259.20541	7.1
261.22177	25.8
273.21957	5.3
277.21539	4.7
279.23236	6.4
297.22144	4.7
299.23557	23.1
301.21576	9.5
315.23260	7.4
317.24713	14.6
335.25720	9.8
343.22760	6.0
395.29272	8.9
405.27917	9.6
413.30560	6.2
423.28641	13.8
427.79523	4.3
440.74506	5.1
441.29944	12.7
459.30765	9.9
487.33817	6.4
497.32373	34.5
515.33447	98.4
516.33636	5.6
533.34265	74.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.2
55.01874	12.3
55.05513	51.6
55.70811	2.3
57.03433	9.1
57.07075	5.2
61.63688	2.1
64.83945	2.3
65.03948	3.0
67.05508	73.9
69.03439	5.9
69.07069	23.6
71.04984	5.7
71.08637	2.1
71.52401	3.8
78.58429	2.4
79.05495	66.0
81.03422	13.7
81.07054	65.6
83.01352	3.0
83.04986	18.1
83.08623	27.4
85.02904	4.6
85.06531	2.9
91.05480	47.8
93.07043	66.0
95.04955	17.2
95.08602	39.9
96.93373	2.6
97.06529	9.1
97.10175	34.7
99.08067	4.3
105.07028	43.7
107.04955	10.2
107.08598	36.3
109.06503	6.1
109.10175	24.9
111.04441	10.4
111.08088	6.7
115.05466	3.7
117.07009	27.7
119.07794	3.9
119.08579	33.6
121.06528	5.3
121.10147	25.5
123.08112	5.9
123.11705	7.3
125.09641	29.4
128.06169	3.1
129.06996	17.7
130.07794	3.0
131.08571	32.8
133.06479	3.2
133.10133	29.0
135.08034	10.1
135.11679	26.6
137.09622	5.1
141.07013	4.3
143.08554	10.6
145.10129	31.8
147.08049	6.3
147.11670	21.9
149.09650	8.4
149.13269	7.2
150.81247	2.7
153.09166	3.3
153.12743	8.0
155.08542	10.2
157.10170	14.1
159.11684	19.6
161.09586	5.6
161.13274	8.0
163.11188	14.5
167.08594	3.3
169.10138	8.7
171.11638	16.5
173.09633	5.6
173.13258	13.8
175.11197	5.5
175.14845	4.3
181.12221	7.6
183.11671	7.2
185.13226	8.0
187.14845	5.5
189.11227	22.3
189.12759	5.0
191.10713	5.9
193.12241	7.8
195.11668	4.2
197.13208	4.3
199.14841	3.8
201.12784	3.0
201.16498	2.5
209.11685	4.2
211.14920	4.1
213.16415	8.2
215.17912	12.4
227.12787	45.0
227.17856	3.2
229.16063	2.8
231.17453	7.8
233.19019	14.5
237.16370	3.3
245.13795	6.5
245.19147	3.8
251.20143	3.7
253.19470	5.1
255.17389	3.3
267.15903	4.8
271.20563	17.6
273.18460	5.0
275.20026	2.8
283.15433	15.6
287.20193	3.1
289.21671	8.9
290.91891	3.1
291.19669	3.4
305.21390	2.8
307.22733	8.3
315.23367	2.6
329.71524	2.5
345.24194	4.0
395.29385	2.6
405.27783	11.0
423.28964	17.6
441.29968	18.5
444.64505	2.3
459.31201	13.0
487.34167	8.3
497.32803	19.1
515.33716	100.0
516.33936	4.9
533.34680	56.7
534.35345	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	533.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62578	2.5
53.03940	8.0
55.01868	8.3
55.05511	28.9
56.49814	2.8
57.03429	4.6
63.35496	2.6
67.05506	42.1
69.03425	4.0
69.07066	16.2
70.50085	9.5
71.04986	4.1
79.05491	53.4
80.29728	2.8
81.03428	5.4
81.07052	71.5
83.04993	14.6
83.08625	19.1
91.05479	39.0
93.06498	4.4
93.07044	54.1
95.04965	25.9
95.08612	21.4
97.06531	7.2
97.10162	26.8
105.07025	29.3
107.04959	10.6
107.08592	20.8
109.06516	8.0
109.10158	10.5
111.04449	11.3
111.08099	5.5
115.05487	2.9
117.07038	16.2
117.31498	2.5
119.08566	26.3
120.25356	2.9
121.06504	8.0
121.10118	14.0
123.08067	15.7
123.11623	3.1
125.09641	13.9
129.07002	9.2
131.08542	13.6
133.06506	5.7
133.10127	9.1
135.08043	7.1
135.11708	11.2
137.09637	2.9
139.11212	3.6
142.07800	3.2
143.08557	9.2
145.10081	18.6
147.08034	11.3
147.11700	16.5
149.09592	5.7
151.11334	2.6
153.09091	5.4
153.12737	4.1
159.11729	5.7
161.09634	6.7
161.13264	8.1
163.11179	15.4
165.09099	4.2
169.10023	3.0
171.11659	17.6
173.09554	4.8
181.12225	8.5
189.11237	14.5
189.12813	8.9
191.10692	4.3
207.13834	14.0
211.36914	3.0
214.55905	3.1
222.44971	2.9
223.13304	7.8
227.12799	22.4
249.14758	3.1
273.18518	29.9
281.83716	2.7
283.15393	6.5
291.19543	100.0
294.13297	2.9
307.22714	7.3
309.20621	6.8
309.24030	4.0
326.35736	3.4
355.08536	3.4
392.80920	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	533.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.1
55.01870	3.8
55.05505	1.4
57.03438	6.1
61.02926	9.4
65.03934	0.7
67.05497	2.3
69.03431	30.2
69.07066	8.2
69.62700	4.0
70.06599	0.7
71.05001	5.6
73.02919	4.4
79.05490	3.5
81.03421	14.4
81.07048	2.4
82.03872	0.7
83.01347	1.2
83.04987	0.9
83.08604	2.3
83.14183	0.6
85.02905	100.0
86.09703	0.9
87.04462	4.8
91.03947	5.2
91.05468	4.0
93.07037	3.7
95.04961	7.8
95.08596	3.7
97.02892	35.6
97.06533	2.3
98.20780	0.9
99.04453	6.6
103.03951	1.1
103.05470	1.9
105.07008	4.7
107.04955	5.4
107.08585	4.9
109.02879	13.7
109.06509	4.2
109.10147	2.1
111.04424	1.0
113.06023	0.7
115.03880	1.7
117.07028	1.0
119.08581	3.2
121.06509	4.5
121.10126	2.8
122.07282	4.2
123.04489	1.1
123.08068	19.6
125.02343	0.8
127.02977	1.5
127.03919	28.0
131.04950	1.1
131.08611	1.8
133.10112	4.6
135.08057	26.4
135.11688	3.7
137.06006	4.5
137.09642	1.8
139.03870	1.4
145.04955	38.9
145.10150	1.0
147.04379	1.1
147.07971	0.7
147.11703	2.5
148.08839	1.1
149.06010	2.2
149.09634	1.8
149.13303	1.4
151.03955	1.9
151.07556	1.3
161.05914	1.2
161.09673	1.3
163.03902	0.9
163.06047	6.9
163.07343	1.2
163.14867	1.1
165.05495	4.2
165.12761	21.4
165.14159	1.1
167.07007	3.7
171.06512	2.4
173.13295	1.8
175.07654	1.2
175.14861	4.0
176.12004	4.2
177.05487	2.9
177.12656	0.9
184.07222	1.6
189.07628	2.5
191.07033	1.2
191.14308	89.2
192.14754	1.5
193.15900	12.4
195.06570	0.8
207.13882	3.2
209.08202	2.3
209.15349	13.9
246.87068	0.8
271.05896	4.2
277.08673	0.7
289.08777	0.8
301.07159	1.2
309.17004	1.1
337.58258	0.8
353.19556	3.3
371.15683	1.3
371.20612	8.1
533.26172	23.8
534.25513	0.7
536.39154	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.257
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.6
53.92260	0.3
54.72536	0.4
55.05496	0.6
57.03444	0.4
67.05489	0.8
69.03413	0.9
69.07082	0.6
69.66106	0.3
70.06584	0.9
71.50226	0.5
73.02925	0.9
79.05470	1.2
81.03392	0.8
81.07059	0.7
83.04995	0.3
84.08119	0.5
85.02890	1.3
85.33876	0.3
86.09699	0.9
91.05479	1.5
93.07034	0.6
95.04971	1.2
95.08625	0.7
97.02885	0.7
97.06540	1.2
100.11215	0.4
103.05490	0.9
105.07011	0.7
107.04975	1.8
107.08585	0.5
109.02866	1.9
109.06541	0.5
109.10152	0.5
119.08626	0.6
121.06484	0.7
121.10210	0.4
123.04462	0.6
123.05758	0.4
124.59940	0.3
126.75858	0.3
127.03919	0.5
131.04875	0.4
131.08603	0.6
133.06505	0.5
133.10146	0.4
135.04379	0.7
137.05078	0.4
137.05971	2.8
137.09587	0.6
139.03912	0.9
145.06378	0.4
147.04349	0.6
147.11650	0.5
149.05998	0.8
150.90236	0.3
151.03940	1.4
151.07555	0.5
151.26373	0.4
161.05943	0.4
163.03870	0.6
165.05487	1.8
167.07051	2.3
172.97711	0.4
175.07562	0.7
177.05408	2.0
180.39833	0.4
185.07738	0.4
191.07083	0.5
193.08687	0.4
195.06479	0.4
206.08125	0.6
209.08122	1.3
211.07750	0.4
237.09795	0.6
239.07036	0.4
265.08392	0.4
275.07382	0.8
298.93918	0.4
313.16324	2.6
317.08493	0.8
323.09274	0.4
333.07864	0.6
335.09427	3.2
371.15045	0.6
401.21384	1.0
445.20450	28.4
446.20807	0.8
460.12451	0.4
499.87164	0.4
515.16583	0.8
533.25653	100.0
534.26123	2.7
547.94348	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	2.0
55.01862	3.0
55.88910	1.6
57.03429	6.6
59.04990	2.1
61.02917	2.1
65.03941	11.3
65.21523	1.6
67.05499	3.3
69.03425	7.9
69.62037	1.5
70.63368	1.5
70.63699	4.5
71.01367	2.5
71.04993	19.7
73.02905	1.8
75.04489	4.0
79.05492	6.5
81.03407	6.7
81.07033	3.2
82.04218	2.3
83.04968	3.6
85.02910	37.3
85.03436	1.9
87.04479	2.3
91.05479	6.7
92.45820	1.4
93.03413	2.6
95.01315	3.1
95.04963	6.8
97.02889	9.1
97.06522	3.0
99.04426	2.6
103.05469	3.4
105.07048	4.3
107.04955	7.9
107.08577	3.1
109.02905	10.0
109.06516	2.1
110.03667	5.6
111.04443	12.9
112.49364	1.4
115.05468	2.3
119.04961	3.6
119.08592	3.7
121.06507	3.4
123.04417	4.3
123.08041	2.9
125.06009	8.5
127.03916	6.6
129.06963	3.8
131.04933	6.0
133.10159	2.0
135.08040	5.6
137.05959	13.7
139.03879	3.5
145.04965	6.1
145.06520	4.0
146.06042	3.1
147.04457	3.1
147.11647	1.6
149.05983	3.7
149.09657	1.9
151.03928	6.1
151.07512	4.3
153.05466	28.8
158.07335	1.9
159.08076	5.7
161.05951	2.4
163.07582	2.5
165.05521	6.6
165.06889	1.7
165.12782	4.2
167.07043	16.9
168.88947	1.6
175.03802	1.5
175.07552	9.4
177.05455	5.2
179.08582	2.0
181.04938	4.1
181.06425	1.7
185.06047	5.3
186.06628	2.2
187.07541	6.1
189.09149	2.8
191.07114	3.2
191.08565	4.5
191.14288	19.5
193.06612	1.7
193.08650	1.6
193.15984	1.7
195.08153	1.8
199.07591	2.1
201.09116	2.9
202.07709	1.8
203.08533	1.7
205.06587	2.9
206.07404	2.3
207.08110	4.4
208.08879	2.9
209.08041	3.5
209.15370	3.1
211.07695	2.0
212.08255	1.6
218.07318	5.0
219.08064	7.3
220.08818	6.4
221.05992	5.2
221.09697	3.6
223.07697	1.9
225.09137	2.2
231.07965	2.9
233.06122	2.6
234.06818	1.9
235.07631	7.7
236.08353	10.8
237.09122	3.7
247.07628	4.5
248.08336	2.7
249.05574	2.1
249.09058	5.0
250.06210	1.8
251.06972	1.8
251.10670	11.3
252.07986	1.7
253.08516	4.9
263.07074	3.1
264.07788	7.4
265.08560	9.2
266.09390	2.2
267.10013	3.6
271.06012	9.7
275.06934	2.1
276.07788	2.2
277.08609	5.1
279.10211	11.1
280.11008	1.8
281.08124	10.9
281.11505	2.7
291.09995	1.7
293.08167	2.6
296.10406	3.3
297.11188	3.0
305.08075	2.9
307.09509	8.0
309.11032	2.6
311.12778	92.4
312.13300	1.9
313.10693	2.4
319.09775	2.8
321.11230	2.1
322.11954	1.8
324.09909	3.0
325.10965	2.2
337.10739	4.7
339.12262	100.0
341.14020	2.1
351.12195	4.1
357.13229	4.5
369.13205	4.7
393.15216	3.3
450.95435	1.6
471.16583	17.6
501.17908	2.5
503.19162	13.3
515.18225	1.5
533.19733	5.6
533.27203	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87392	1.5
53.03937	4.5
55.01867	2.8
55.05504	1.4
55.14540	1.4
57.03425	4.7
59.05008	1.5
64.78217	1.5
65.03938	13.0
66.99396	1.4
67.05502	3.9
69.03428	6.3
70.06584	2.3
71.01350	2.0
71.04998	13.2
71.51281	2.7
73.02899	3.2
75.04489	1.9
79.05507	4.9
81.03413	3.9
81.07047	2.6
82.04242	2.5
83.04973	3.4
85.02901	28.8
86.09678	2.6
91.05485	7.1
93.03416	4.5
93.07069	1.7
95.04970	12.9
95.08601	1.6
97.02907	7.6
97.06567	1.6
98.53819	1.6
99.04446	2.2
103.05475	3.4
105.07024	5.3
106.04179	1.5
107.04950	10.2
107.08611	1.6
108.02068	2.2
109.02867	6.2
109.06522	2.5
110.03667	12.9
111.04429	14.5
115.05461	2.2
117.07021	2.3
119.04967	2.1
121.02848	2.2
121.06564	3.7
122.03717	2.0
123.04445	5.6
125.02354	6.5
125.06020	11.3
127.03937	3.2
131.04926	7.0
131.08549	1.6
133.06519	1.7
135.04388	4.2
135.08081	2.4
137.05978	15.3
139.03973	1.9
144.05644	2.7
145.04939	3.2
145.06506	2.6
147.04424	3.7
147.08063	3.4
149.02359	2.4
149.05959	6.0
151.03920	15.3
151.07542	2.8
153.05472	30.7
153.06618	2.7
157.06540	1.8
159.04391	1.8
159.08055	8.2
160.05220	2.2
161.05986	6.1
163.03967	3.7
163.07539	2.9
165.05444	4.4
165.06979	2.9
167.07057	15.7
175.07614	8.7
177.05481	9.4
178.07773	2.4
179.08595	1.6
181.04982	4.1
181.08630	2.6
185.05971	4.4
186.06712	2.2
187.07547	4.6
190.07756	2.2
191.08566	5.1
191.14256	11.0
193.06525	2.3
193.08620	3.0
195.06566	3.6
195.08125	2.1
199.07616	2.0
201.09100	2.2
202.07864	1.8
203.08536	2.5
205.06474	2.4
206.07285	2.8
207.08046	4.5
208.08801	2.0
209.08044	2.4
209.15413	2.0
218.07286	3.3
219.08026	9.0
220.08858	4.7
221.05959	5.9
221.09601	5.1
222.06744	1.8
223.07484	2.2
225.09154	1.8
234.06679	2.4
235.07666	8.6
236.08270	11.1
237.09077	4.3
240.07719	2.0
247.07497	3.6
248.08362	3.5
249.09099	5.1
250.06210	2.1
251.06989	1.6
251.10634	14.3
253.08643	4.2
259.07791	1.8
263.07031	5.0
264.07822	4.3
265.08633	10.0
266.09433	1.8
267.21606	1.6
275.06897	1.7
277.08621	4.2
278.09332	3.1
279.10132	11.9
280.10797	1.6
281.08109	10.9
281.11459	3.8
293.07962	2.3
295.09476	1.7
296.10522	4.2
297.11179	3.0
307.09650	5.5
308.10385	5.7
309.11160	3.5
311.12769	88.9
313.10770	3.3
321.11237	2.1
325.10742	3.0
337.10895	2.2
339.12277	100.0
341.13733	4.9
353.13971	2.7
369.12988	2.0
371.14969	3.0
393.15256	4.0
412.64331	1.6
443.16934	2.1
455.89630	1.6
471.16428	17.3
501.17908	2.7
503.19244	15.6
533.20203	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	533.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.3
58.55233	0.8
65.03954	0.7
66.90400	0.7
69.03431	1.5
69.44040	5.7
78.04716	2.3
79.05487	7.9
81.03413	1.4
81.07059	1.4
85.02893	2.6
85.54269	0.7
91.05483	3.4
93.07059	1.1
94.04176	0.9
95.04990	2.0
97.02930	0.8
103.05472	3.4
105.07035	6.2
106.04133	1.2
107.04958	14.5
115.05458	2.9
117.07017	1.8
119.08613	1.7
121.06541	2.5
123.04426	4.9
124.05225	3.8
125.06003	1.0
128.06239	3.0
129.07024	4.4
131.04907	4.5
132.05722	2.7
133.06508	5.1
137.05968	3.3
143.04848	1.0
144.05646	1.5
145.06514	2.8
147.08058	2.6
149.05988	1.4
150.92691	0.8
151.03912	2.4
152.04701	2.3
153.05484	2.6
159.08063	5.7
160.05124	1.3
161.05991	9.6
163.07558	1.0
165.05515	1.5
167.07042	100.0
171.08125	1.9
172.05225	2.4
173.06058	1.2
175.07556	23.0
176.04689	1.4
177.05493	2.7
181.08632	1.0
184.05176	1.4
187.07541	18.1
189.07155	0.8
189.09163	2.6
190.07570	1.2
191.07018	9.6
191.08565	0.9
195.08009	1.1
199.07565	8.8
201.05522	1.3
202.07832	1.7
203.08609	3.3
205.06540	0.8
206.07307	1.7
208.84550	0.8
209.08058	3.8
215.08577	1.6
217.08525	1.4
218.07272	2.9
219.08118	1.9
221.09593	3.4
231.08095	2.5
233.09599	4.5
234.06799	2.1
235.07529	2.7
246.06837	1.6
247.07509	1.8
249.09157	4.6
250.09825	1.0
251.06911	1.7
253.12248	1.0
260.08307	2.2
261.09116	4.6
263.07037	1.2
265.08569	1.2
266.09735	0.9
274.06128	1.2
275.06982	1.2
277.08609	2.9
278.09363	1.8
279.06555	0.8
280.11197	1.1
281.11807	7.1
287.05496	1.6
289.08600	3.6
290.09415	1.4
291.09811	1.0
293.11749	2.6
294.08829	1.2
306.08795	1.1
307.09610	0.9
309.11337	6.7
321.11230	9.2
322.11874	1.9
323.08917	1.1
325.14456	0.9
326.11621	1.4
338.11224	0.9
341.13812	17.9
353.13812	12.1
371.14838	2.1
466.86450	0.9
533.22058	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	532.3483
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	4.4
55.05503	17.0
60.08150	6.5
67.05502	41.7
69.03422	7.5
69.07064	10.8
70.75942	14.1
79.05490	32.5
80.20211	3.8
81.03392	9.7
81.07056	40.1
83.04965	7.6
83.08624	9.6
85.02908	9.7
86.09692	36.2
91.05483	18.1
93.07041	35.1
95.04940	7.7
95.08596	27.2
97.02892	10.2
104.10744	8.1
105.07023	15.4
107.08584	18.8
109.10133	14.6
117.07024	8.0
119.08566	15.9
121.10155	21.4
123.11685	6.6
125.00024	28.4
125.98373	3.9
127.03875	6.4
131.08556	17.5
133.10117	14.9
135.11670	6.1
145.10114	9.4
149.09711	5.1
149.13275	6.4
159.11681	7.8
173.13217	6.9
184.07344	100.0
187.14801	6.0
241.19603	5.2
243.21001	5.9
259.20520	9.6
261.22305	21.7
277.21707	5.4
315.23410	6.8
369.24149	11.1
380.15137	4.8
387.25241	10.0
388.15567	4.7
423.27582	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	533.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.6
65.03933	0.7
67.05492	0.5
69.03422	1.4
71.50156	0.6
81.03410	1.0
82.11286	0.5
83.04951	0.7
85.02900	4.0
89.03912	2.2
95.04935	1.1
97.02888	0.7
98.81918	0.4
105.03367	1.3
107.04913	1.2
117.03353	0.6
118.21854	0.6
123.03581	0.9
123.04416	11.0
127.03912	1.6
133.02858	17.8
135.04411	4.6
145.04926	0.9
151.03914	7.1
155.03371	0.7
161.02324	1.1
163.03944	4.9
174.76393	0.4
179.03386	100.0
180.03700	0.7
183.16676	0.5
352.02347	0.5
498.76062	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3035
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21592	0.2
55.01880	0.2
55.05506	0.2
56.05034	0.6
58.06382	0.2
58.06626	0.5
60.08162	6.8
67.05499	0.4
69.07057	0.3
70.65237	0.3
70.65630	0.4
71.05005	0.2
71.07367	3.3
77.47768	0.1
79.05480	0.4
79.87548	0.1
81.03414	0.2
81.07059	0.7
86.09704	30.6
87.10036	0.2
91.05479	0.4
91.24610	0.2
93.07034	0.4
95.04913	0.2
95.08612	0.2
97.06540	0.3
97.38477	0.2
98.98466	3.2
104.10741	3.8
105.07047	0.4
107.04951	0.3
107.08546	0.2
116.99484	0.2
119.08579	0.4
125.00001	22.3
143.01062	0.3
145.10052	0.1
184.07338	100.0
185.07648	0.6
240.50876	0.2
241.48288	0.2
250.81476	0.2
258.10913	0.3
275.20004	0.2
514.28955	0.6
532.30316	4.5
533.30603	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12423	4.1
55.05497	20.1
56.34159	4.3
57.03411	8.2
67.05183	5.6
67.05501	53.6
68.05849	4.5
69.07057	16.5
69.68619	31.9
71.04974	6.1
79.05493	41.0
79.32009	4.3
80.02594	4.2
81.07056	63.5
85.02902	5.4
87.02675	4.4
91.05483	25.2
93.07035	59.4
95.04956	5.2
95.08591	49.1
105.07046	23.2
107.08563	35.3
109.10152	33.7
117.06992	11.6
119.08562	20.2
121.10143	34.7
123.11687	11.1
124.22073	4.9
131.08551	20.9
133.10086	14.2
135.11642	26.3
145.10103	17.5
147.11655	20.8
149.13261	19.5
159.11693	13.1
161.13214	13.0
163.14825	12.0
164.34581	4.4
171.11545	5.0
173.13217	17.1
177.16373	5.4
179.10634	4.4
187.14886	8.9
191.14198	5.3
243.21062	32.9
261.22153	100.0
282.40659	4.7
335.25616	12.5
340.38953	4.6
353.26700	26.0
504.37616	5.0
514.35858	17.1
532.36719	12.4
539.02673	4.4
557.54474	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41039	6.1
55.05517	35.7
57.03434	10.1
67.05502	87.4
69.07068	20.1
69.27145	72.6
78.14804	6.0
79.05492	97.4
81.03398	18.5
81.07053	86.0
83.04973	16.9
83.08594	13.3
85.42723	5.7
87.04468	14.6
91.05485	66.0
93.07040	100.0
95.04946	25.2
95.08604	51.8
97.06538	6.5
99.08060	6.3
105.07028	55.1
107.04970	11.1
107.08588	26.3
109.10165	21.0
117.07016	17.1
119.08565	26.6
121.10130	30.2
123.07980	6.7
129.06985	16.5
131.08588	17.5
131.82486	6.7
133.10117	17.2
135.11711	17.5
141.32156	9.6
143.08583	8.4
145.10094	16.9
147.11713	35.0
159.11740	9.0
161.09816	6.8
161.13206	14.2
171.11711	21.1
194.03145	7.3
207.13800	19.5
215.17941	8.5
233.19009	8.0
281.17465	55.2
307.22644	35.2
356.94611	7.4
421.51208	6.5
513.35767	53.9
531.38647	44.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.303
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.1
55.29279	0.1
55.99746	0.1
56.05022	0.5
58.06620	0.5
60.08160	6.0
67.05502	0.2
69.36058	0.3
69.36479	0.8
70.43826	0.1
71.07362	2.6
76.80046	0.1
79.05471	0.2
81.07075	0.2
86.09699	29.0
91.05486	0.2
93.07004	0.1
95.08614	0.1
98.98456	3.0
104.10733	3.8
105.07018	0.3
116.99512	0.2
124.99993	20.6
143.34979	0.1
166.02638	0.2
184.07324	100.0
185.07635	0.5
258.10876	0.1
271.35284	0.1
453.03342	0.1
514.29144	1.0
532.30261	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	531.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99821	0.3
54.38712	0.3
63.02389	0.6
69.03436	1.3
71.50786	0.7
78.04720	0.4
79.05484	0.3
83.04978	0.4
85.02898	0.4
89.03918	5.9
91.05453	0.6
95.04950	0.4
97.02918	0.7
105.22051	0.3
108.64767	0.3
113.67551	0.4
117.03382	16.2
127.03933	0.9
134.03633	1.3
135.04413	1.6
137.05972	0.7
145.02844	48.3
149.05975	6.4
163.03877	1.0
177.05467	100.0
178.05733	0.7
186.05501	1.2
195.06595	0.5
221.04901	0.3
286.19281	0.4
321.09494	0.8
339.10770	0.4
531.16431	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.332
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	2.6
53.00261	2.4
53.03939	11.6
55.01860	11.1
55.05513	30.8
65.03942	4.8
67.05505	61.6
68.44183	2.5
69.07065	19.5
71.04977	6.6
71.52313	2.4
79.05496	97.1
81.03414	11.6
81.07055	59.4
83.04973	12.0
83.08617	14.3
85.06544	5.8
91.05482	91.7
93.07043	100.0
95.04973	31.5
95.08610	29.4
97.06525	7.7
97.10155	8.4
105.04520	5.4
105.07029	60.2
107.04952	14.7
107.08600	29.8
109.02843	3.2
109.06509	11.6
109.10127	9.6
111.08065	6.1
115.05435	6.3
117.07015	23.2
119.08566	34.1
119.36772	2.7
121.06468	6.7
121.10142	6.5
123.04411	3.5
123.08048	9.8
125.09641	7.9
128.06204	3.5
129.07013	37.3
131.08572	9.9
133.06526	4.6
133.10136	20.8
135.08054	14.5
135.11696	5.8
137.09584	3.1
143.08585	14.1
145.06471	7.3
145.10098	17.2
147.08054	9.2
147.11673	51.9
149.09602	2.9
155.08525	3.0
157.10168	4.7
159.08054	6.6
159.11664	4.3
161.08487	2.9
161.09605	16.3
161.12105	3.3
161.13281	23.6
163.07520	10.1
163.11157	4.2
166.31221	2.8
169.06616	2.7
169.10178	3.5
171.11688	60.2
173.09596	4.4
179.14307	7.2
189.12746	37.1
193.12242	30.4
201.12758	2.9
207.13800	51.1
221.11725	5.1
225.14857	9.9
227.12659	3.2
239.12685	3.1
243.17488	4.4
271.16934	9.1
289.14908	2.8
289.17950	81.6
307.18860	12.1
310.35025	2.9
345.22659	2.7
393.54257	2.5
477.29788	3.1
531.39349	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	530.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	5.5
55.01865	4.0
55.05509	20.4
57.03190	2.0
57.03435	17.5
67.05499	28.8
69.03402	3.8
69.07070	8.2
69.43580	14.2
71.04976	6.4
79.05489	32.2
81.03413	72.2
81.06594	2.5
81.07052	33.9
83.04979	22.3
83.08612	26.4
85.02904	29.5
85.06535	3.1
91.05473	46.2
93.07039	24.4
95.04966	31.5
95.08610	13.0
97.02882	2.8
97.06519	5.8
97.10162	4.9
99.08080	1.9
105.07018	25.8
107.04945	9.4
107.08568	9.0
109.06512	6.2
111.04446	2.5
111.08084	11.3
113.05947	2.8
115.05397	1.9
117.07040	2.5
119.08566	22.6
121.06487	2.4
121.10123	10.3
123.08067	4.2
123.11716	1.9
125.09630	2.7
129.07004	14.3
131.08578	13.9
133.03258	1.5
133.06480	4.4
133.10124	12.7
137.09598	2.1
142.07774	3.8
145.10045	2.7
147.08066	3.9
147.11674	16.4
149.09563	8.0
157.10130	18.3
165.12782	3.6
173.91086	1.5
175.11162	18.8
184.07330	2.3
192.10732	1.5
193.12231	64.0
205.12392	1.6
211.13281	100.0
267.15881	25.0
285.16949	82.1
285.20224	2.2
295.08948	1.6
332.45477	1.8
420.30145	1.6
447.77332	1.6
454.57074	1.6
459.27411	10.0
477.28378	10.4
493.76315	1.6
495.29572	27.2
530.28351	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2621
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38117	0.4
58.91890	0.5
65.28310	0.5
68.88155	0.4
69.03421	0.6
70.06575	1.2
71.51363	0.6
79.05476	0.6
85.02895	0.9
86.09695	2.0
91.05444	0.8
95.08609	1.1
97.02898	0.8
105.07037	0.6
105.22633	0.4
105.71104	0.5
107.08569	0.5
110.78575	0.5
120.08138	0.6
137.05968	1.4
147.04420	0.6
151.03889	0.8
153.01785	0.5
159.08064	0.6
174.93974	0.5
175.07584	0.5
203.05313	1.0
217.15897	1.3
275.07272	1.1
287.05603	2.1
333.07977	2.9
335.09476	18.7
367.09061	2.5
367.15845	0.6
529.26160	100.0
530.26636	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	529.3347
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32547	0.3
53.03937	0.4
55.01867	0.7
55.05503	1.1
57.03437	0.7
65.03929	0.8
67.05504	4.6
69.03426	1.2
69.07069	2.3
69.69765	0.4
73.02901	1.1
79.05493	2.2
80.83115	0.3
81.03406	1.3
81.07053	1.0
83.04969	1.9
83.08623	0.5
85.02894	1.5
86.03173	0.3
89.06026	0.7
91.05471	1.4
93.07040	0.8
95.04974	6.2
95.08589	0.7
97.02885	0.7
97.06522	6.0
98.20745	0.9
103.05481	0.5
105.07030	1.3
107.04970	0.7
107.08556	0.5
109.02837	0.5
109.06530	0.4
109.10169	0.5
111.04447	1.3
111.11726	2.3
112.12026	0.7
119.08588	0.5
127.03955	0.5
128.06201	0.5
129.05501	0.5
129.12743	2.3
130.13098	1.1
133.10121	0.3
137.05984	2.0
141.07047	0.4
143.08594	0.4
145.06509	0.5
145.10158	0.4
147.04507	0.4
151.07535	0.5
157.06531	0.4
161.05956	1.1
161.09636	0.4
163.03897	0.7
167.07080	0.9
167.08536	0.8
169.06462	0.4
171.08002	0.6
181.06479	0.6
183.08092	0.6
187.07530	0.6
195.08139	1.2
197.06021	0.6
199.07538	0.8
201.05472	0.6
201.09111	0.7
203.05269	3.5
209.09595	0.6
211.07600	1.0
213.05466	1.0
213.09108	1.2
225.09134	0.6
229.39755	0.4
237.09166	1.1
238.09796	0.6
239.06879	0.6
239.14577	0.4
241.08545	3.3
259.09668	0.8
265.12338	0.5
267.13821	1.7
269.07874	0.5
287.09094	1.1
291.13898	0.5
293.11761	1.7
295.13293	1.3
309.14914	1.8
311.12854	1.0
313.14435	0.6
319.13336	0.5
327.15906	0.5
337.14368	8.2
338.14767	0.5
349.27133	16.1
355.15347	5.2
367.28198	1.4
374.03775	0.4
511.19513	0.6
529.20441	4.0
529.33453	100.0
530.33813	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	529.3887
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70352	2.4
53.03940	5.5
55.05493	10.3
57.07077	4.1
58.30353	3.0
62.14930	2.7
65.03922	4.4
67.05505	41.3
69.07069	14.5
69.31443	25.7
79.05492	32.2
81.07047	42.8
83.08615	7.1
86.29311	3.2
90.75604	3.1
91.05479	24.9
93.07045	34.9
95.04980	4.7
95.08616	20.4
105.07011	18.5
107.08612	19.2
107.84788	3.2
109.10149	8.3
113.79438	2.8
117.07026	11.4
119.08604	14.9
120.70251	2.8
121.10153	12.5
129.07005	8.5
130.89667	2.7
131.08549	22.5
133.10118	9.7
135.11633	10.0
140.97040	3.0
143.08583	5.7
145.10107	9.7
147.11656	7.4
149.13255	11.1
155.08534	5.1
157.10159	6.6
159.11690	8.2
159.15842	3.4
161.13275	3.2
169.10191	4.5
171.11700	4.1
173.13205	3.3
199.14876	4.2
283.01721	3.4
284.26807	4.6
378.25784	3.5
381.90918	3.1
437.34235	12.4
454.17395	3.9
455.35245	3.7
511.38095	4.3
529.38818	100.0
529.50000	14.1
530.38898	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93419	1.3
53.03925	1.3
55.01863	6.1
57.03425	3.9
61.02927	6.3
69.03426	19.9
70.06580	4.8
71.04979	2.6
71.51322	2.0
72.08136	3.8
73.02902	3.3
79.05482	2.9
80.05026	1.4
81.03406	8.5
83.01315	1.9
85.02898	44.4
85.06554	1.9
85.07628	2.2
87.04466	3.3
91.03958	2.9
91.05476	5.0
93.03378	1.3
93.07020	1.7
95.04940	2.4
97.02899	18.0
99.04469	3.9
103.05457	2.9
103.61246	1.3
105.03371	4.9
105.46335	1.3
107.04926	6.4
109.02867	8.4
115.05466	3.2
117.07023	4.7
119.04903	2.2
121.06481	2.8
123.04396	2.5
124.03923	2.0
127.03885	7.4
129.06969	4.3
131.04910	6.6
131.08524	3.6
133.06487	5.3
135.04451	2.5
136.03923	2.5
137.05995	7.8
139.03856	2.4
141.06908	3.8
145.04993	3.9
145.06459	6.5
145.10136	2.1
147.04431	4.3
147.08028	2.3
149.02328	1.8
151.03914	4.0
153.05473	2.2
153.06966	3.3
155.08516	9.6
157.06506	6.4
159.04419	11.5
159.08008	3.7
161.06029	9.1
163.03865	3.8
164.03395	10.0
165.04079	2.2
165.05484	13.7
165.06950	4.7
167.08545	2.5
169.06519	2.8
171.04408	1.9
173.05963	7.9
173.09642	6.9
173.65463	1.4
174.06775	5.3
175.07509	6.9
177.05455	1.8
177.58173	1.4
179.07060	2.7
181.06435	2.6
183.08055	16.6
185.06004	8.0
187.03905	7.8
187.07558	3.7
189.05446	3.2
191.07054	3.8
193.06516	2.6
201.05486	7.4
201.09096	18.6
203.07016	5.4
205.04988	8.6
205.08603	5.5
211.07582	12.0
213.05467	8.4
215.06972	2.9
215.10606	7.7
216.92926	1.4
217.08679	2.1
219.06451	6.3
219.21628	1.3
221.08165	1.8
225.09242	2.3
227.07018	2.1
229.08582	32.8
231.06514	1.8
231.10327	1.7
233.08043	5.7
233.11665	3.2
235.07861	1.6
239.06984	5.8
241.08496	2.4
243.10168	9.5
245.08089	3.2
247.09618	6.0
251.09172	2.0
253.08607	1.5
257.08096	15.7
259.09723	2.3
261.11182	6.5
271.09607	5.3
275.09158	10.1
275.11862	1.8
285.07629	2.8
289.10706	19.8
303.08740	16.0
303.12051	2.5
317.10187	6.8
321.09741	2.3
335.11240	100.0
367.09268	3.4
367.13852	57.2
529.20154	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	528.3165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	6.5
55.01874	9.3
55.05507	26.3
57.03432	21.4
59.04990	3.9
63.54152	2.1
65.03927	3.0
65.06330	2.0
67.05181	2.8
67.05499	33.2
69.03411	6.8
69.07064	9.4
71.04975	6.8
71.50223	2.3
76.99358	1.6
79.05492	37.5
81.03416	73.1
81.06593	2.9
81.07050	43.2
82.91570	1.7
83.01334	10.5
83.04979	28.3
83.08615	31.7
85.02899	23.3
85.06509	3.2
91.05478	43.7
93.07037	40.0
95.04956	27.2
95.08601	16.6
97.02895	4.0
97.06521	7.6
97.10149	5.6
105.07027	31.9
107.04953	13.4
107.08595	20.5
109.06512	10.2
109.10133	4.2
111.04442	2.7
111.08047	12.3
113.05956	3.7
117.06999	8.5
119.08576	25.5
121.06500	5.0
121.10124	13.7
123.08081	9.1
125.05998	2.0
125.09637	2.4
129.06973	13.7
131.08565	12.8
131.41042	2.0
133.10136	12.9
135.08022	2.6
135.11688	13.4
137.09576	3.2
142.07759	2.0
145.10126	17.7
147.08026	3.6
147.11726	11.1
149.09581	6.6
153.12782	3.5
155.08524	2.3
157.10147	16.4
163.11169	25.4
173.09529	3.0
175.11179	15.5
181.12238	2.9
191.10616	2.3
193.12234	51.9
209.11760	8.9
211.13281	87.8
227.12730	7.1
267.15909	11.5
283.15378	100.0
285.16946	59.1
354.01556	2.0
354.06244	1.8
383.22354	3.1
398.64410	2.2
432.03040	1.7
433.97711	1.8
457.25601	1.9
475.27081	13.8
493.27933	76.3
494.27875	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95942	0.4
66.63187	0.4
67.90374	0.3
69.03413	0.4
70.16164	1.7
81.07044	0.4
83.55824	0.3
88.95305	0.3
131.54503	0.4
137.05942	0.4
151.03958	0.4
167.07033	0.4
182.08438	0.8
235.08708	0.4
263.08301	1.4
275.07434	1.0
305.13123	0.4
333.07788	2.4
335.09476	8.5
365.15015	1.4
395.20239	1.0
405.08911	0.4
527.24652	100.0
528.25018	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00566	0.6
53.03968	0.9
55.01873	2.9
55.05510	6.8
57.03436	6.1
57.07074	11.8
59.05002	3.1
61.02926	4.5
62.18614	0.6
62.63800	0.6
63.99973	0.6
67.05509	1.5
69.03433	10.6
69.07069	54.8
70.06593	0.6
70.57690	1.4
71.01365	1.5
71.04992	5.4
71.08638	8.0
73.02914	24.9
73.06560	11.5
79.05515	0.6
81.03419	2.3
81.07054	1.1
83.05003	0.7
83.08622	1.8
85.02377	0.8
85.02906	23.0
85.10181	3.7
87.04495	1.4
89.06030	28.7
91.03958	1.6
91.22017	0.6
93.07059	0.8
95.04980	2.3
97.02895	17.4
97.06541	1.1
99.04477	1.3
99.11698	1.3
99.65155	0.5
103.03950	1.4
109.02879	2.0
111.11722	82.8
115.03933	8.4
119.11385	0.5
122.79755	0.6
124.59802	0.5
127.03897	6.4
129.12756	100.0
130.08662	0.5
130.13066	1.1
133.04965	9.2
137.05894	0.8
145.04944	6.3
145.70741	0.6
149.70853	0.6
163.06041	3.7
170.15363	1.6
189.23367	0.6
199.16942	22.4
217.07207	0.7
217.18004	28.0
223.06053	0.8
241.06888	0.9
259.07990	0.7
332.12497	0.7
337.14209	1.7
355.15228	1.0
529.33295	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	527.155
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83760	0.2
57.03395	0.2
58.51389	0.2
59.44361	0.2
62.94855	0.2
67.05493	0.6
69.07048	0.2
69.42379	0.7
69.42802	1.2
79.05453	0.4
81.03406	0.3
83.08630	0.3
85.02869	0.2
91.05441	0.5
93.07030	0.3
95.04971	0.2
95.08572	0.4
97.06513	0.2
102.25414	0.2
105.07015	0.4
107.04923	0.3
107.36066	0.2
109.10134	0.3
119.04881	0.3
131.08490	0.3
137.05951	0.3
139.98697	0.2
145.10056	0.2
153.01857	1.1
154.02589	0.4
161.18184	0.2
163.03894	0.5
166.66185	0.2
173.05951	0.2
178.02553	0.7
201.11911	0.2
213.05418	0.2
214.06248	0.3
241.04994	0.4
242.05746	3.1
253.04974	0.2
254.01230	0.2
258.05237	3.6
269.04529	0.6
269.10553	0.2
270.05237	11.6
271.05640	0.3
273.03918	2.3
285.04141	0.5
286.04770	1.8
287.05484	5.3
298.04599	0.3
299.05634	1.0
301.03394	2.6
302.04141	3.9
313.03464	1.8
315.04980	45.6
316.05728	5.3
329.06516	0.5
331.08118	100.0
332.08591	1.8
495.05719	0.2
527.15466	8.3
528.15674	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1548
Annotation	CHEBI:67643
Peak:m/z	Relative Intensity
51.38206	0.2
54.30513	0.2
59.13200	0.2
60.55533	0.2
66.73579	0.2
70.48005	0.5
79.05475	0.3
86.09626	0.2
91.05428	0.2
95.04955	0.3
102.85769	0.1
105.07032	0.2
110.14020	0.2
132.30795	0.2
153.01802	1.1
154.02551	0.4
178.02521	0.5
179.06984	0.3
199.37988	0.2
213.05428	0.2
223.26305	0.2
241.04918	0.5
242.05727	3.1
245.04247	0.3
253.04869	0.2
255.02646	0.2
257.04254	0.3
258.05200	3.3
269.04510	0.5
270.05234	9.7
271.05704	0.3
273.03943	1.9
285.03888	0.3
286.04843	1.4
287.05493	4.8
299.05557	0.7
301.03378	2.0
302.04208	2.9
313.03455	1.5
315.04974	42.1
316.05746	5.7
331.08109	100.0
332.08514	1.4
509.18115	0.2
527.15460	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	526.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.2
55.01873	6.4
55.05512	11.4
57.03435	8.4
57.07087	1.4
59.04993	2.5
60.46161	1.0
67.05499	10.1
69.03427	1.7
69.07051	0.9
70.09752	1.0
71.05007	2.6
71.51312	0.9
71.51678	1.5
79.05500	15.2
81.03422	8.9
81.07058	14.7
83.01346	7.4
83.04988	7.8
83.08630	9.4
85.02905	2.6
85.06560	1.3
91.05465	8.4
93.07040	15.5
95.04961	6.1
95.08611	4.9
97.02903	2.0
97.06513	2.6
97.10180	1.4
99.04499	1.4
105.07026	5.2
107.04955	5.7
107.08613	9.6
109.06530	4.3
109.10188	1.8
111.04456	2.3
111.08080	1.6
117.07027	6.1
119.08573	6.4
121.06496	1.8
121.10161	7.0
123.04501	1.1
123.08074	6.2
125.06016	1.5
129.07013	1.9
131.08577	2.3
131.55635	1.0
133.10164	1.5
135.08040	1.2
135.11699	7.5
143.08557	1.2
145.10120	10.5
147.08044	1.9
153.12822	2.0
155.08559	1.4
163.11172	18.5
173.09579	1.6
181.12268	3.0
184.07219	1.0
191.10709	1.9
202.45543	1.0
209.11850	6.1
227.12711	4.6
283.15402	100.0
462.81274	1.1
481.32129	1.0
491.26437	30.8
491.97839	1.0
526.36230	3.0
539.52423	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.1
55.01867	16.8
55.05515	21.0
57.03437	31.5
57.60149	2.8
67.05505	43.2
69.03410	6.8
69.07072	16.3
70.06583	3.1
71.08248	3.7
71.08634	58.3
71.51126	3.4
72.08166	2.8
73.02908	13.1
79.05487	26.4
81.03422	5.1
81.07060	36.8
83.04985	18.4
83.08623	9.3
85.02889	2.7
87.04469	3.4
91.05487	21.1
93.07045	28.7
95.04960	9.9
95.08603	26.9
97.02881	3.9
97.06521	8.7
97.10146	4.2
98.98479	6.8
99.07498	4.3
99.08095	49.4
105.07023	11.5
107.04952	3.6
107.08589	12.4
109.06567	4.3
109.10165	26.5
114.91462	3.1
116.04694	20.2
117.07005	6.0
119.08562	12.7
121.06459	3.5
121.10148	9.9
123.08183	3.4
125.09662	4.0
129.05482	55.4
129.06961	4.6
133.10071	7.9
135.08112	3.7
135.11717	7.7
139.11180	14.2
142.12277	6.4
143.07033	12.6
145.10141	3.8
151.11201	17.0
151.34943	3.0
157.08643	29.5
159.11670	3.9
161.13292	7.0
163.11188	12.6
171.10162	10.9
173.11763	7.2
179.14293	9.6
180.13824	10.0
198.14906	8.2
200.14037	4.0
216.06294	3.8
229.14366	26.0
253.18027	8.9
259.20651	3.4
277.21710	19.7
278.11594	3.7
283.15207	4.3
285.10001	6.8
293.21088	7.4
334.14102	3.7
351.25317	86.1
352.15265	4.3
367.24997	7.1
385.25809	100.0
418.23453	3.5
474.26120	13.2
526.27313	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	526.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.1
55.05486	1.4
57.07069	1.1
59.04996	2.6
61.02921	2.0
67.05474	2.3
69.03417	5.2
70.06587	1.2
70.56873	2.0
70.57203	2.6
71.25667	1.1
73.02902	1.4
77.56699	1.0
79.05502	9.2
81.03419	2.9
81.07053	25.8
81.07526	1.7
85.02901	17.8
85.43381	1.1
87.04467	1.4
91.05479	8.0
91.05957	1.1
93.07039	17.1
95.04956	2.6
95.08598	12.9
97.02886	4.6
97.06539	2.8
98.20879	1.2
99.38331	1.2
103.05447	2.0
105.07047	8.3
107.04936	2.9
107.08591	6.4
109.02872	1.6
109.06493	2.8
109.10152	1.7
111.04440	1.4
119.04952	4.2
119.08569	2.2
121.06515	4.9
121.10141	100.0
123.04441	2.9
123.08136	1.8
123.11707	21.7
125.06004	7.7
125.09624	1.5
127.03899	3.9
129.06975	2.7
131.04919	2.2
131.08498	1.5
135.04430	1.5
137.05971	34.7
137.06970	2.6
137.09627	3.0
139.11166	13.8
145.04932	4.3
147.04372	3.0
147.08022	1.6
149.06004	7.2
149.09607	12.0
151.03951	1.2
151.06348	1.0
151.07532	20.6
157.06482	2.5
161.05936	1.8
163.06079	1.9
163.07527	3.8
165.06892	1.4
167.10675	62.6
175.07564	13.8
185.11737	4.9
189.09117	1.8
193.06540	1.9
195.08017	3.0
196.09691	1.3
201.11192	1.9
202.11714	1.3
211.07466	3.0
213.09143	2.5
221.05984	3.0
221.09622	1.7
227.10645	1.6
239.07018	3.6
241.08572	4.1
253.08586	4.2
253.12320	2.3
258.08859	2.0
263.46924	1.3
271.09674	10.1
273.11276	3.9
299.12732	16.4
311.14938	1.9
317.13824	54.0
526.24493	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	526.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.6
55.01868	0.8
55.05515	1.8
57.03422	0.9
67.05507	16.5
68.18894	0.7
69.03419	4.1
69.07083	1.3
70.75607	1.7
73.02924	0.6
79.05493	1.4
81.03418	12.9
81.07055	8.7
83.08660	0.6
85.02911	2.3
91.05486	3.0
93.07040	2.3
95.04976	3.1
95.08599	6.3
97.02890	5.3
97.10168	1.3
99.04476	2.4
99.08063	0.6
99.61842	0.7
107.08607	1.4
109.02881	12.8
109.06520	1.6
109.10155	40.2
111.04457	2.2
119.04941	2.0
119.08583	2.7
121.06439	0.7
121.10177	1.1
125.05983	1.6
127.03925	5.4
129.06990	0.7
135.08078	1.2
137.09616	98.2
147.04401	9.4
147.08086	1.0
151.03958	0.9
155.10672	6.2
163.07501	1.0
165.09116	100.0
183.10199	8.2
185.07744	0.6
201.11234	7.4
223.50630	0.7
245.11780	0.9
263.12708	1.9
264.66595	0.7
273.11185	0.9
274.54156	0.8
291.12323	8.0
309.13327	30.7
327.11172	1.0
327.14413	10.1
345.15411	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36127	1.9
55.05470	2.5
61.11056	2.1
69.03427	7.1
69.62256	14.2
70.06597	2.5
78.78197	2.0
79.05491	16.2
81.03403	2.1
81.07060	14.3
83.04974	3.6
85.02907	12.2
85.05473	2.1
90.84498	2.1
91.05469	4.2
93.07035	3.8
93.13413	2.5
95.04990	11.9
95.08612	4.6
97.02865	6.7
100.70900	2.1
105.07032	11.1
107.04944	14.8
107.08604	3.3
109.02912	3.3
109.06524	25.0
111.08076	23.9
121.06510	6.8
123.04449	4.4
123.08046	6.6
127.03909	53.9
132.99271	2.4
133.06477	9.0
135.04427	5.0
135.08046	2.4
137.05984	4.2
145.04968	2.5
151.03900	15.8
151.07541	16.9
153.05458	23.8
155.07100	3.2
161.06030	4.6
179.07033	63.3
197.08093	100.0
215.09137	75.6
307.01535	2.3
359.13251	2.8
380.19766	2.5
526.25073	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	526.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10911	0.8
53.96338	1.0
55.01865	1.4
57.03418	1.1
57.70365	0.8
61.02928	1.4
69.03424	3.6
69.74459	2.1
69.74871	3.1
71.59663	0.8
75.67078	0.8
79.05486	1.9
81.03404	1.7
81.07046	1.7
81.57125	0.8
85.02894	8.4
86.09696	0.9
91.05478	6.4
92.17653	0.9
92.99484	0.8
93.07059	4.9
94.04176	1.5
95.04958	2.1
97.02895	3.0
103.05494	1.6
105.07059	1.5
107.04945	2.3
109.02858	1.1
109.06514	1.5
117.07056	0.9
119.04945	5.7
121.06501	5.5
121.10159	3.1
122.03658	2.3
123.04443	6.1
123.11736	0.9
129.06989	7.7
131.04883	2.0
135.04387	2.1
135.08066	1.0
136.05180	1.7
137.05972	60.8
145.04933	1.1
147.04422	4.9
147.08067	3.3
149.05974	14.1
150.06779	2.6
151.07536	37.8
157.06471	6.0
161.06035	2.6
163.07527	5.5
165.07028	2.1
167.08534	1.9
167.10681	3.3
169.06602	1.3
175.07552	23.6
178.07834	1.7
182.07275	0.9
189.09154	2.6
193.06554	2.0
193.08501	2.0
193.10172	2.1
195.08095	3.1
196.09677	1.2
197.06046	1.5
203.08487	1.2
207.10101	1.1
210.06836	2.0
211.07561	2.9
213.09137	4.8
221.05963	5.4
221.09586	2.6
223.07599	2.5
225.09106	3.1
227.10698	2.2
235.07518	1.1
238.06310	2.1
239.07072	3.8
239.10753	1.0
240.07713	1.1
241.08621	3.9
249.09187	2.5
253.08661	6.0
253.12218	4.7
255.10207	1.9
258.08890	2.9
267.10489	1.5
270.08722	1.5
271.09622	19.7
271.12527	1.0
273.11172	9.6
281.11710	1.6
287.12732	1.2
290.73770	1.0
299.12808	20.5
317.13821	100.0
526.25330	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	526.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.4
55.01863	2.8
56.34595	2.4
56.96562	8.9
57.03437	2.7
61.02935	5.7
69.03442	15.8
69.06340	2.4
70.02445	2.4
71.04941	2.5
71.51044	2.8
73.02893	3.1
74.01804	2.7
79.05477	5.6
81.03398	9.6
85.02914	34.0
87.04460	3.4
89.03922	5.6
91.05483	3.2
95.04964	4.4
95.06105	13.8
96.06873	7.6
97.02882	10.3
98.97585	14.7
99.04435	3.3
107.04939	8.8
109.02885	5.0
109.07603	4.2
110.07175	2.7
110.97572	3.2
115.80079	2.2
116.98643	11.0
117.03397	4.9
119.01872	2.9
119.06068	10.3
120.05585	11.1
121.07610	3.3
122.07148	5.6
123.04441	4.3
127.03908	6.1
128.98622	3.5
131.00162	2.7
133.07622	10.3
134.07098	3.5
134.99678	5.6
135.04413	13.8
135.07930	3.8
136.08698	17.1
137.05963	3.9
143.00211	3.8
143.06007	3.1
145.01805	2.8
145.02867	6.9
145.04927	4.5
145.07565	4.1
146.07098	3.1
146.99654	3.2
147.05603	4.1
150.31732	2.5
151.03922	5.5
158.99689	5.1
160.08720	3.2
161.01314	3.1
161.07124	16.0
163.03894	80.6
164.04254	8.7
165.05504	29.4
166.06119	11.3
171.05554	8.0
171.09206	4.2
173.07089	4.4
177.00783	6.2
177.05913	3.7
182.09248	8.9
188.08202	9.1
189.06593	44.7
189.10153	3.0
190.07436	2.9
214.05782	2.7
216.07704	41.5
216.11368	6.0
217.08368	3.6
218.09232	3.8
219.01897	7.0
220.10916	4.7
237.02823	12.0
244.07237	4.7
261.02780	3.0
262.08298	37.8
262.11917	6.7
263.09073	15.9
266.11423	7.8
268.10660	4.4
276.07181	3.3
277.10828	3.9
286.12003	8.5
291.03833	2.7
294.10867	8.4
302.05927	2.9
302.15115	2.8
307.07004	4.1
309.08380	3.1
314.11304	7.3
318.14484	5.0
332.08951	3.3
332.12485	34.7
346.13962	14.8
353.07602	3.7
353.11514	2.8
364.15057	100.0
452.96469	2.8
494.17624	4.7
526.12256	4.5
526.20306	89.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3633
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	17.9
57.03447	7.9
57.07067	9.8
67.05503	29.8
69.07063	35.2
71.04991	6.2
71.08646	7.9
79.05491	16.0
81.07050	100.0
83.08633	13.9
85.02916	12.4
85.06541	11.7
91.05489	12.1
93.07040	19.5
95.07339	6.8
95.08603	89.3
95.54581	6.1
97.10163	16.5
98.21534	14.9
99.08089	16.1
105.07023	17.8
107.04967	10.7
107.08562	29.6
109.06513	6.5
109.10144	79.9
111.11745	13.7
119.08586	13.1
121.10155	15.1
123.11705	41.3
127.11200	17.5
131.04916	9.0
135.04314	7.1
135.11617	14.3
137.05957	39.3
137.13257	19.2
138.06320	8.3
144.40120	7.7
145.06419	6.9
149.13260	27.7
151.03908	9.4
151.14799	17.5
153.12741	8.2
161.06018	11.2
163.03914	15.3
163.07530	22.7
163.14769	11.0
164.07768	7.9
166.08701	18.7
167.07088	13.0
169.34340	5.8
177.09064	31.9
177.16557	8.3
178.09387	15.1
205.19576	10.2
273.25729	19.6
279.26712	17.6
291.26822	54.3
309.27887	43.5
332.15674	14.9
361.14023	13.6
361.30469	6.8
525.23438	34.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53487	2.1
52.53812	2.3
55.01883	3.7
55.05262	2.3
55.05498	13.0
57.07061	9.5
67.05503	21.4
69.03407	5.4
69.07063	34.7
69.59414	18.2
70.06599	4.0
71.04980	7.8
71.08626	3.0
72.08157	3.0
79.05475	14.2
81.03397	3.2
81.07057	100.0
83.08619	16.6
85.02889	9.6
85.06525	9.9
91.05456	7.9
93.07020	21.1
95.04980	4.5
95.08606	72.3
97.02882	3.0
97.06517	7.2
97.10137	6.7
98.20856	5.4
99.08073	10.3
103.05489	4.2
105.07014	8.9
106.06556	3.1
107.04932	4.0
107.08586	21.6
109.02891	5.5
109.10151	47.7
111.08076	5.1
111.11709	11.2
119.08575	7.8
121.06474	3.2
121.10122	16.9
123.11697	30.5
125.09538	2.5
127.03936	3.1
127.11217	3.7
129.07024	2.7
129.09129	2.9
131.04890	2.8
133.06483	2.6
133.10159	5.4
133.52638	2.5
135.11742	12.3
137.05992	19.7
137.13258	13.2
139.11189	4.3
149.13258	20.0
151.03856	3.7
151.07545	6.8
151.14806	5.9
161.05931	3.8
163.14775	13.8
165.09081	3.7
167.07030	7.6
175.07579	3.0
177.05473	3.2
177.16357	8.1
179.17972	2.9
181.15863	2.6
183.11557	2.7
184.07510	2.7
187.76633	3.2
189.09058	3.2
189.16402	5.3
191.17957	3.8
203.17929	4.4
205.19485	8.8
217.19379	5.8
227.19884	2.5
253.08510	2.4
261.25626	3.1
273.25763	8.8
274.74112	2.5
277.17770	5.6
279.26727	15.9
287.05621	4.9
291.26794	36.9
309.27847	54.9
327.25336	3.7
327.29007	27.0
345.29813	5.6
439.22726	6.0
443.83801	2.4
481.24158	17.8
507.19940	5.7
525.23218	52.9
525.30206	8.2
526.22546	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	525.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	25.7
59.47871	9.5
67.05485	28.5
67.80853	9.3
69.03402	10.4
69.07060	32.5
70.65405	30.1
72.17384	8.8
73.62109	8.8
73.67673	8.8
79.05492	15.8
81.07050	100.0
83.08603	13.0
85.02919	10.6
85.06555	14.5
93.07039	33.9
95.04922	9.7
95.08601	88.7
97.06523	12.3
97.10146	10.5
99.08102	12.2
102.56081	9.6
107.08570	32.9
109.10133	65.7
111.08070	10.5
111.11732	19.1
121.10120	26.2
123.11694	73.9
126.21407	10.6
127.11167	11.2
133.10033	11.0
135.11621	18.9
137.05977	26.4
137.13249	20.3
138.06374	10.4
144.49797	10.3
147.23347	8.9
149.13258	30.5
151.03854	38.8
151.04971	10.6
151.07530	9.8
151.14832	10.5
153.12804	15.3
158.09341	9.2
163.07529	11.0
163.14851	14.4
173.91951	9.3
191.17931	11.9
205.19606	13.8
211.31755	10.3
236.96268	10.5
273.25766	25.5
279.26862	28.6
291.26868	64.6
297.28061	12.6
309.27863	38.3
327.28452	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	525.171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	4.0
55.01857	1.2
61.02913	2.8
62.61142	1.1
65.03934	1.6
65.48489	1.2
69.03429	8.5
69.04549	1.1
69.67942	7.5
79.05475	1.8
80.05007	6.7
81.03391	3.6
81.04534	8.6
85.02903	22.3
87.04472	1.2
91.03907	1.2
92.04987	4.7
93.04513	5.6
95.04980	6.3
95.06108	2.6
96.90706	1.2
97.02899	8.7
100.88707	1.3
105.07012	1.2
106.06549	7.1
107.04911	3.2
107.06074	25.6
107.86816	1.2
109.02869	2.8
109.04005	1.9
109.07629	1.8
110.06030	1.4
113.03464	3.9
115.05367	1.6
117.05717	1.7
119.06058	6.6
123.04414	3.4
123.05498	3.0
127.03906	5.1
127.45426	1.1
131.05101	1.7
131.06033	9.1
132.06845	5.7
133.07657	6.2
134.05980	4.3
135.04463	2.9
135.05510	26.0
137.06084	2.3
137.07092	21.7
139.03885	4.6
143.05020	1.3
143.06001	5.8
144.06807	2.2
144.08037	2.9
145.03923	1.5
145.07585	4.9
147.05524	7.3
148.06314	2.1
151.03893	8.7
151.04988	2.0
158.09644	2.2
159.05548	3.2
159.09157	2.2
160.06296	4.8
161.07098	43.5
163.03891	6.7
165.05467	19.5
167.07133	2.3
168.08089	2.7
169.07632	2.4
171.05476	6.9
171.09143	5.1
172.06303	1.9
173.07088	5.3
175.05049	2.5
179.04523	1.6
181.04596	1.6
181.06094	29.6
181.07657	2.1
183.09152	3.7
185.10744	2.5
187.05026	33.3
187.08644	7.9
188.05710	3.2
189.06584	85.2
194.37701	1.2
195.09229	2.0
197.06972	1.9
199.05025	17.1
199.08717	1.9
200.05821	1.6
201.10187	2.5
203.04494	4.6
203.08119	5.1
205.06102	2.6
211.08595	6.0
213.06447	1.9
213.10146	6.4
215.04512	5.4
216.05283	3.9
217.06064	6.4
218.06783	1.8
219.07588	3.9
223.08644	4.0
225.09300	1.2
229.09676	4.4
233.05368	1.6
239.08072	7.8
241.09834	6.1
247.07040	2.2
249.16132	1.2
257.09152	5.4
259.10797	6.2
261.05103	16.0
261.07959	2.1
261.08560	1.8
262.05820	2.9
265.08203	1.5
267.07556	1.4
269.09027	2.9
271.10770	1.3
285.08661	4.2
287.10205	2.8
289.11725	2.2
293.04938	1.4
293.07745	11.3
301.11734	1.5
303.09863	2.0
313.08197	2.3
317.11295	4.2
319.12927	1.5
331.09222	69.2
345.10809	12.1
363.11838	100.0
364.11874	2.8
413.72546	1.6
520.60156	1.4
525.17078	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	524.3712
Annotation	PAF C-16
Peak:m/z	Relative Intensity
52.35577	0.5
55.05489	1.6
56.05828	0.5
57.03432	0.6
57.07072	2.4
60.08166	6.8
67.05490	1.9
69.07038	0.7
71.07387	3.3
71.08611	1.7
71.51208	0.6
74.63106	0.4
76.97416	0.4
79.05468	0.7
81.03412	1.4
81.07049	1.8
83.04950	0.6
83.08595	0.7
85.02905	0.6
85.10176	0.9
86.09704	34.2
86.45975	0.5
91.05467	1.3
93.07033	0.5
95.04937	0.6
95.08578	1.9
98.98460	3.0
104.10734	2.9
105.07019	1.0
124.99997	24.2
128.57741	0.5
165.85089	0.5
180.49257	0.5
184.07333	100.0
185.07666	0.7
193.12230	0.8
194.12561	0.7
211.13301	1.1
211.86177	0.5
241.36801	0.4
257.39709	0.5
258.11029	0.5
313.27359	0.5
341.30557	0.8
494.16821	0.5
506.36423	0.7
524.40631	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	525.139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.4
56.95919	0.3
65.79364	0.3
67.05473	0.6
69.03424	0.4
71.12070	0.8
79.05470	0.8
81.03371	0.4
81.07024	1.0
83.08581	0.4
84.93082	0.3
91.05495	1.5
93.07024	0.7
103.05447	0.4
105.06988	0.6
105.89516	0.3
107.04917	1.1
121.06481	0.9
127.03870	0.4
131.04878	0.3
133.02837	0.4
133.06427	0.5
135.04402	0.6
136.56279	0.3
137.05875	0.3
140.04709	0.8
146.03609	0.6
147.04434	0.7
149.05963	0.6
151.03862	0.7
153.01837	5.9
153.04451	0.4
153.05469	3.1
161.05965	0.8
163.03853	0.3
165.05482	0.6
166.06210	0.7
167.06955	0.6
168.07788	1.6
169.07587	3.3
177.05475	0.6
178.06242	0.6
179.06972	0.4
180.07774	0.9
193.08978	0.4
193.12323	0.3
203.03378	0.9
213.05431	0.9
216.04176	34.9
217.04633	0.9
231.06554	0.7
241.04875	0.4
242.05797	0.4
243.06509	0.4
244.03671	3.8
257.04471	0.4
258.05255	0.7
259.06027	4.8
265.09671	0.8
268.60425	0.4
269.04410	0.5
270.05194	1.1
271.05942	0.6
272.03168	5.8
273.03555	0.5
274.04678	2.9
283.06131	0.4
287.05496	77.4
288.05771	1.3
299.05600	2.2
301.06927	0.4
302.04236	5.0
313.03558	0.6
313.07120	0.3
315.04962	10.4
316.05725	1.0
317.06595	3.2
327.05038	5.5
335.13800	2.7
341.06430	0.4
359.08545	0.3
419.07800	0.6
421.09351	0.3
435.10956	0.5
449.08658	0.4
463.09921	0.4
475.10886	0.5
495.13101	1.6
507.12839	0.9
525.13934	100.0
526.14337	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3711
Annotation	2-octadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05500	0.6
56.05027	1.1
57.03430	0.6
57.07070	3.9
58.06572	1.2
58.79398	0.2
60.08159	17.0
67.05491	1.1
69.07050	0.7
71.06994	0.4
71.07368	5.9
71.08633	2.1
72.41631	0.2
73.66113	0.3
79.05502	0.6
81.03426	0.6
81.07053	1.6
81.83124	0.3
83.04974	0.3
83.08619	0.8
85.10173	0.9
86.09698	50.5
87.10043	0.3
88.80286	0.3
91.05455	0.4
93.07038	0.3
95.04990	0.3
95.08609	1.3
97.10191	0.6
98.98464	4.3
103.00517	0.2
104.10734	100.0
105.06991	0.2
105.11060	0.5
109.10151	0.8
124.99992	27.6
133.10141	0.3
143.01083	0.4
150.79512	0.2
163.01552	0.7
166.02577	0.3
171.54878	0.3
181.02550	0.5
184.07324	95.5
185.07729	0.5
193.12291	0.4
211.13409	0.5
240.09888	0.3
253.43694	0.3
258.11090	1.5
341.30304	1.6
348.62170	0.2
423.00970	0.3
447.29022	0.5
506.35962	9.0
524.36981	30.6
525.37488	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	10.1
64.40671	3.9
66.93071	4.4
69.64594	26.4
69.65000	7.2
71.04992	35.8
73.02937	5.4
85.02904	55.4
91.05491	12.1
95.90136	4.7
106.94941	4.5
109.06528	5.2
115.83109	4.8
119.04977	10.7
121.06523	5.2
129.05498	18.5
129.06987	7.2
131.04839	5.9
137.05972	82.9
146.08261	6.3
147.06505	8.5
149.06052	5.9
151.07558	83.0
161.06027	10.5
161.09624	7.4
163.07541	26.5
164.09184	9.8
165.83693	4.0
167.08513	8.6
175.07570	12.9
177.09100	31.0
187.07524	4.4
189.09117	26.7
193.10182	5.1
195.08154	12.6
195.10255	8.2
221.05844	7.1
221.09703	8.9
223.07671	11.1
225.09071	11.7
227.10625	20.4
239.10802	5.3
253.08669	6.4
253.12355	15.0
255.10071	29.8
267.10226	7.1
269.08167	6.2
285.11243	21.5
287.12875	33.2
311.12747	6.8
313.14386	33.9
331.15424	100.0
332.15820	8.9
355.15710	5.1
367.15421	5.1
539.64044	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	524.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13168	0.6
53.03930	1.2
55.01859	1.9
55.05510	6.6
57.03435	3.9
57.07067	2.9
61.02932	3.2
65.03889	0.9
67.05515	4.7
69.03422	8.9
69.07066	14.9
70.46664	0.9
70.47092	1.9
71.04978	1.0
71.08624	1.0
73.02518	1.1
73.02914	20.1
79.05495	6.8
81.03410	2.3
81.07052	12.3
83.08627	10.0
85.02903	22.0
87.04449	1.1
91.05477	4.6
93.07040	18.8
95.04957	1.1
95.08603	34.3
97.02887	17.1
97.10149	5.0
99.04443	1.0
103.05398	0.8
105.07018	5.1
107.08587	52.4
109.02879	2.1
109.06524	1.0
109.10155	10.9
115.03918	8.6
119.08546	1.6
121.10141	77.5
123.11701	5.2
125.09633	1.7
127.03915	7.9
133.04962	13.6
133.10086	0.7
135.11691	18.0
137.12195	1.5
137.13251	30.1
139.11116	3.3
145.04950	13.5
149.13255	6.7
150.07623	1.1
151.14668	0.7
163.06036	7.3
175.08682	0.6
177.16383	100.0
195.17447	21.0
199.06023	0.8
212.20097	0.7
217.07124	1.2
223.06018	2.7
238.44936	0.7
241.07022	3.1
259.08115	8.4
277.09140	1.8
295.10281	7.5
309.20593	0.8
524.25415	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.358
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	24.9
67.05499	32.9
69.07059	7.8
69.20431	19.6
69.20853	38.8
71.04944	5.6
79.05499	34.9
81.07059	53.2
83.04982	8.8
83.08601	13.4
84.54445	4.8
91.05474	24.3
93.07059	28.0
95.04955	11.3
95.08605	16.0
97.10173	23.2
100.15527	5.3
105.07024	13.0
107.04963	8.2
107.08583	16.9
108.87725	5.9
109.06520	13.0
111.04451	7.7
111.08062	7.0
117.06983	10.5
119.08556	18.5
121.10135	11.2
123.07983	7.5
125.09640	13.8
131.08575	7.8
133.10120	8.4
135.08023	5.9
135.11656	13.3
145.10146	18.7
147.08037	12.2
149.09599	9.1
157.10193	6.6
159.11650	8.4
161.09698	8.9
161.88669	4.9
161.91003	4.7
163.11090	8.8
181.12218	9.5
189.11221	13.6
191.10631	6.1
193.59608	4.6
223.13220	7.2
227.12767	5.6
229.07198	5.5
273.18658	28.5
291.19547	100.0
370.41858	6.3
540.46228	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	523.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.3
55.01852	2.2
55.05511	18.9
57.03425	7.7
57.07072	49.0
57.95909	1.1
59.04972	1.2
65.03933	1.9
67.05501	34.5
69.03418	2.7
69.07061	13.2
69.14676	1.2
69.16806	13.3
69.17236	2.0
71.04978	3.7
71.08628	32.0
72.96754	1.3
76.42274	1.0
78.23914	1.1
79.05489	18.2
81.03416	45.2
81.07053	39.6
81.07536	2.4
83.04974	9.7
83.08156	2.0
83.08614	28.7
85.02898	22.3
85.06524	2.6
85.10172	17.7
91.05482	21.6
93.06551	1.5
93.07047	12.4
93.07585	1.9
94.07383	1.3
95.04965	18.3
95.08604	30.1
97.02898	2.1
97.06520	2.7
97.10177	10.0
99.11682	1.6
105.07028	17.3
107.04956	3.7
107.08578	5.7
109.06512	2.5
109.10146	12.0
111.04438	2.4
111.08071	8.3
111.11653	1.6
113.05995	1.3
117.99924	1.4
119.08572	14.0
121.10159	7.1
123.08089	3.4
123.11703	5.9
129.07008	7.4
131.08575	6.8
133.06439	3.0
133.10130	7.3
137.13263	2.1
142.07777	1.5
147.08037	2.1
147.11673	11.5
149.09633	3.1
157.10139	10.8
165.12738	2.0
175.11195	11.5
193.10461	1.7
193.12239	45.5
211.13277	46.4
239.23657	8.3
267.15829	6.3
313.27350	5.9
354.31375	1.4
415.78412	1.3
505.38837	2.7
523.39886	100.0
524.40314	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	523.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.2
55.05508	16.7
57.03422	8.1
57.06800	2.4
57.07076	45.7
57.32758	1.6
58.10077	1.6
58.53665	1.8
67.05508	38.0
69.03431	4.0
69.07072	13.2
69.27184	18.9
71.04971	3.9
71.08630	36.2
73.28791	1.7
75.00968	1.6
79.05499	17.1
81.03419	43.9
81.07057	38.0
83.04974	7.2
83.08620	24.0
85.02903	18.6
85.10196	15.6
91.05478	22.3
93.07071	10.7
95.04955	17.5
95.08607	35.7
97.02853	2.2
97.06553	3.1
97.10165	9.1
105.07030	15.3
107.04924	2.6
107.08573	3.5
109.06554	2.2
109.10162	13.2
111.04443	2.4
111.08084	6.6
113.05992	2.4
119.08579	14.2
121.10155	6.3
123.08099	2.5
123.11685	6.6
129.07007	7.0
131.08560	6.6
133.06529	2.1
133.10138	8.6
137.13275	2.8
145.79727	1.7
147.11690	11.9
149.09666	3.9
157.10118	7.3
165.12849	2.1
165.16371	2.1
175.11215	10.5
190.44925	1.6
193.12253	42.6
200.32320	1.9
211.13284	43.9
239.23790	8.1
267.15973	4.3
313.27328	4.3
361.21619	2.2
523.39954	100.0
524.39941	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3991
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.3
55.05508	14.1
57.03423	6.1
57.07072	38.1
57.14893	1.3
59.05019	1.6
60.78575	1.4
67.05502	23.1
67.66211	1.9
69.03421	2.1
69.07058	10.4
71.04990	4.3
71.08627	28.5
71.22412	2.1
72.05659	1.4
79.05498	14.4
79.80739	1.6
81.03413	40.0
81.07051	34.6
83.04974	6.8
83.08615	22.9
85.02898	22.1
85.10179	16.4
91.05485	18.8
93.07043	10.6
94.80690	1.7
95.04964	14.4
95.08601	28.4
97.02882	3.0
97.10160	8.3
105.07018	14.6
107.04956	2.0
107.08599	4.0
109.06454	3.0
109.10155	11.2
111.04477	1.6
111.08086	7.1
111.31741	1.6
113.06017	1.7
119.08585	12.2
121.10143	4.3
123.11702	5.4
124.25887	1.5
129.07010	4.3
131.08560	6.5
133.06459	1.4
133.10155	4.1
142.07864	1.7
147.11678	10.3
149.09612	4.5
157.10139	7.6
165.12825	2.1
175.11150	10.9
193.12234	48.4
193.13895	3.2
211.13266	52.6
239.23758	9.1
267.15948	5.2
313.27356	6.3
441.10233	1.5
505.39151	2.7
523.39935	100.0
524.40332	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	523.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.5
55.01872	4.0
61.02906	2.7
62.59642	2.5
69.03432	15.0
71.04996	2.4
71.51364	4.8
79.05489	7.2
81.03436	18.1
81.23991	2.5
83.10462	2.5
85.02886	11.0
91.05460	14.1
95.04974	10.0
97.02915	6.6
99.04435	3.0
103.03915	3.1
103.05491	14.5
105.07021	10.0
107.04955	15.8
109.02863	6.2
109.06455	2.7
111.04480	3.0
119.04942	14.9
120.08027	2.7
121.06528	4.5
127.03899	7.4
129.06992	4.9
131.04935	28.8
133.06474	8.6
135.04399	12.2
135.08009	2.8
137.05975	100.0
141.05383	2.8
143.04880	4.5
145.02823	4.2
145.06537	6.3
147.04385	24.3
149.06020	13.5
151.03923	8.8
151.07555	42.5
160.05148	2.9
161.05997	16.3
161.10959	3.1
163.03918	37.7
163.07532	37.5
165.05467	3.6
165.09106	7.8
167.07077	8.3
169.04979	6.3
169.06349	3.6
174.06828	3.7
175.07555	18.4
176.04799	2.8
177.05534	12.7
177.09082	14.8
179.07037	27.6
181.08578	5.5
187.07515	6.8
189.09109	11.5
191.06987	7.6
191.66655	2.6
193.08672	5.5
195.10245	4.8
199.07387	3.0
201.05505	4.3
201.09146	6.6
203.06984	9.3
203.10675	4.4
205.08633	4.6
207.06566	3.0
207.10164	12.4
215.07069	3.1
217.08560	5.7
219.10202	6.9
220.78160	2.8
221.08020	4.8
225.11349	3.3
229.08534	4.5
239.07013	3.2
247.09763	3.4
249.11224	5.7
255.10141	3.2
273.11441	5.7
291.12302	8.4
297.11148	3.2
331.08090	4.5
333.67056	3.1
343.15411	5.6
518.39105	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	523.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	2.3
55.05516	10.4
57.03447	9.2
57.07062	2.4
59.47795	1.4
67.05508	23.3
69.07063	7.9
71.04966	1.9
71.08633	26.8
71.51241	2.6
79.05495	24.0
81.03389	3.4
81.07057	29.3
83.04981	4.7
83.08607	6.3
85.06542	2.7
91.05489	18.3
93.06501	1.8
93.07050	29.7
94.04956	1.4
94.43779	1.3
95.04962	5.9
95.08608	20.6
97.06524	5.7
97.10139	2.2
98.39677	1.3
98.98455	12.3
99.07497	1.9
99.08091	16.1
100.87879	1.3
105.07037	13.0
107.04938	3.3
107.08604	16.5
108.26329	1.4
109.06515	2.0
109.10152	6.6
113.09618	1.7
117.06974	3.6
119.08602	11.0
119.89185	1.4
121.10157	14.9
123.08057	2.2
125.09645	1.6
127.11225	1.4
131.08539	2.7
133.10161	9.1
135.08116	1.9
135.11693	18.8
137.05948	1.5
137.09639	4.0
141.09065	2.1
143.08546	3.1
143.58760	1.5
145.10097	3.3
147.11684	4.0
149.13257	5.4
151.11203	11.6
153.12730	1.5
159.11736	2.1
161.13283	8.8
163.11159	3.6
163.14841	2.0
167.10622	1.7
171.11696	1.9
173.13116	1.6
177.12767	1.9
179.14313	48.1
185.13248	1.9
199.89937	1.5
235.16972	2.8
259.20547	2.9
277.21649	35.2
323.41422	1.7
351.25299	100.0
352.25452	2.7
451.10550	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.1
53.97560	0.6
55.01860	2.7
55.05510	16.1
57.03437	7.7
57.07075	45.3
65.03947	0.9
67.05502	32.9
69.03418	3.0
69.07066	12.6
71.04995	4.3
71.08634	32.4
73.10321	0.6
75.57091	0.5
79.05493	16.8
81.03419	39.4
81.07055	35.7
83.04971	8.0
83.08616	30.2
85.02904	20.9
85.06542	1.9
85.10177	18.2
91.04905	1.2
91.05478	21.1
93.07043	11.2
95.04965	16.8
95.08605	33.7
97.02881	2.3
97.06535	2.5
97.10159	9.4
98.20836	2.5
98.21530	1.7
99.08073	1.4
99.11716	0.9
103.05388	0.6
105.06335	1.0
105.07026	16.1
105.07699	1.1
107.04951	3.8
107.08588	5.1
109.06521	3.5
109.10154	13.6
111.04453	1.6
111.08067	7.8
111.11693	1.5
113.05998	2.1
115.05470	1.0
117.07017	1.3
119.08579	13.1
121.06541	1.1
121.10137	7.8
122.79504	0.6
122.84600	0.6
123.08057	1.4
123.11688	5.8
125.09657	1.2
125.13284	1.1
128.06145	0.7
129.06987	7.0
131.08563	8.9
133.06487	2.2
133.10124	7.8
134.60173	0.7
135.11646	1.2
137.09590	0.6
137.13261	2.0
141.78880	0.6
142.07791	2.1
145.10057	1.1
147.08064	2.8
147.11679	11.7
149.09618	4.6
157.10133	9.0
163.11218	0.8
165.12756	2.7
175.11194	11.9
184.07358	0.7
193.12242	45.8
211.13290	48.1
221.22638	1.0
229.40109	0.7
239.23671	8.7
249.14900	1.2
256.55261	0.6
257.24838	0.6
267.15924	8.0
285.17108	0.7
313.27338	9.1
503.00287	0.7
505.38791	4.6
523.39941	100.0
524.40686	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	522.3554
Annotation	2-Oleoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
53.55402	0.3
55.05510	1.9
56.05028	1.4
56.64025	0.4
57.03432	0.6
57.07065	0.6
58.06601	1.5
60.08164	16.3
67.05500	1.1
69.07072	2.0
69.81628	2.0
69.92342	0.4
71.07372	7.1
79.05495	0.6
81.07069	1.3
83.08616	1.2
86.09705	49.0
93.07048	0.8
95.08610	1.3
97.10172	0.7
98.98454	4.1
104.10741	100.0
105.11092	0.8
109.10159	0.4
121.10139	0.5
125.00001	30.1
136.27831	0.4
163.01575	0.7
184.07339	96.4
185.07753	0.7
201.21944	0.4
258.11066	1.1
339.28931	1.3
445.27264	0.8
471.75397	0.4
504.34488	9.1
522.35547	26.1
523.35840	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3551
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75000	0.3
55.05505	0.5
56.05036	0.6
57.12480	0.2
58.06603	0.2
59.03978	0.2
60.08165	7.0
67.05479	0.2
69.07067	0.2
69.48331	1.7
71.07375	3.1
83.08619	0.5
86.09707	32.4
87.10039	0.3
93.07069	0.2
98.98463	3.0
104.10748	3.0
125.00003	22.0
184.07343	100.0
185.07686	0.5
325.36353	0.3
341.51639	0.2
411.30237	0.2
504.34207	0.8
522.23602	0.2
522.35583	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.5
55.01872	4.0
61.02906	2.7
62.59642	2.5
69.03432	15.0
71.04996	2.4
71.51364	4.8
79.05489	7.2
81.03436	18.1
81.23991	2.5
83.10462	2.5
85.02886	11.0
91.05460	14.1
95.04974	10.0
97.02915	6.6
99.04435	3.0
103.03915	3.1
103.05491	14.5
105.07021	10.0
107.04955	15.8
109.02863	6.2
109.06455	2.7
111.04480	3.0
119.04942	14.9
120.08027	2.7
121.06528	4.5
127.03899	7.4
129.06992	4.9
131.04935	28.8
133.06474	8.6
135.04399	12.2
135.08009	2.8
137.05975	100.0
141.05383	2.8
143.04880	4.5
145.02823	4.2
145.06537	6.3
147.04385	24.3
149.06020	13.5
151.03923	8.8
151.07555	42.5
160.05148	2.9
161.05997	16.3
161.10959	3.1
163.03918	37.7
163.07532	37.5
165.05467	3.6
165.09106	7.8
167.07077	8.3
169.04979	6.3
169.06349	3.6
174.06828	3.7
175.07555	18.4
176.04799	2.8
177.05534	12.7
177.09082	14.8
179.07037	27.6
181.08578	5.5
187.07515	6.8
189.09109	11.5
191.06987	7.6
191.66655	2.6
193.08672	5.5
195.10245	4.8
199.07387	3.0
201.05505	4.3
201.09146	6.6
203.06984	9.3
203.10675	4.4
205.08633	4.6
207.06566	3.0
207.10164	12.4
215.07069	3.1
217.08560	5.7
219.10202	6.9
220.78160	2.8
221.08020	4.8
225.11349	3.3
229.08534	4.5
239.07013	3.2
247.09763	3.4
249.11224	5.7
255.10141	3.2
273.11441	5.7
291.12302	8.4
297.11148	3.2
331.08090	4.5
333.67056	3.1
343.15411	5.6
518.39105	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	522.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03909	1.0
53.14859	0.8
55.01876	1.8
55.05509	4.9
57.03421	3.4
59.04983	1.2
61.02911	2.5
65.03926	1.3
67.05513	4.9
69.03436	6.3
69.07068	11.9
69.21069	4.0
69.21493	6.3
73.02918	14.0
74.12688	1.0
77.90726	1.0
79.05491	6.2
81.03425	2.1
81.07059	11.3
83.08600	4.9
85.02898	14.5
91.05489	5.4
93.07044	11.9
95.08609	19.3
97.02896	10.0
97.06573	1.1
97.10149	1.2
99.04510	1.2
100.24657	0.9
103.05437	1.3
105.07027	16.1
107.08588	14.0
109.02868	2.2
109.06518	3.2
109.10150	9.9
115.03921	6.1
119.08578	15.4
121.06532	0.9
121.10142	16.6
123.11679	1.5
127.03926	4.5
131.04893	1.4
131.08560	1.8
133.04962	5.1
133.06462	1.0
133.10117	7.9
135.11693	8.2
137.05951	3.9
137.09631	2.9
138.06326	1.2
145.04945	4.1
145.10052	1.1
147.11659	4.9
149.13295	5.7
150.16518	0.9
151.03900	1.7
151.07562	2.0
161.05968	2.2
163.03876	1.1
163.06052	1.4
165.09085	3.0
167.07040	1.8
170.67880	0.8
175.07571	1.2
175.14824	100.0
176.07875	0.9
176.15129	1.5
177.16385	93.0
178.16620	1.0
179.05589	1.6
179.06973	5.6
193.15880	4.5
202.76721	0.9
206.08348	1.2
217.04979	0.9
223.05997	1.1
327.14551	1.3
330.14069	2.1
341.68634	0.9
372.15781	1.4
380.04044	1.0
384.77127	1.0
522.24176	1.3
525.82391	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.8
57.03437	2.8
57.07075	1.8
61.02918	2.2
67.05505	2.8
69.03431	5.6
69.07070	1.8
71.05003	1.6
71.51363	1.3
73.02924	8.6
78.04697	0.9
79.05483	2.8
81.03409	1.7
81.07054	14.8
85.02908	13.2
86.09700	1.6
87.04470	7.7
91.05470	1.5
92.92792	0.9
93.07047	1.9
95.04997	1.7
95.08597	4.0
97.02895	8.9
97.06519	1.6
103.05469	1.5
104.46700	0.8
105.07039	1.3
107.04890	1.2
109.10156	2.1
115.03934	2.7
122.03669	1.7
123.04422	1.2
123.11709	37.1
123.12606	1.9
124.12046	0.9
125.13248	5.2
127.03929	4.7
129.05515	0.9
131.04903	2.5
133.04968	3.6
133.06528	1.0
133.10124	1.0
135.08116	0.9
135.11716	0.8
137.05974	15.4
137.09624	2.3
138.06351	2.0
145.04973	3.9
145.06502	1.1
147.04373	1.1
149.13203	1.7
151.07666	2.0
151.11180	100.0
152.11548	1.6
161.06012	2.2
163.03940	2.0
163.06181	1.0
163.07562	2.9
165.09116	1.2
167.07005	2.1
175.07597	1.4
177.05489	1.4
179.03423	3.1
184.07378	3.8
189.09167	1.4
193.15816	2.3
211.16934	88.1
212.17201	1.1
235.07596	0.9
241.07059	1.4
266.08975	1.0
271.37030	0.8
287.74600	0.8
295.09354	1.2
297.11206	1.6
360.23605	1.1
522.22278	1.0
522.30878	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93930	1.1
51.95267	1.0
52.84547	1.1
53.03938	1.4
54.65044	1.1
55.01864	4.3
55.05503	3.2
57.03438	7.0
57.07074	1.1
59.04998	1.3
61.02922	4.1
67.05500	3.3
69.03429	13.6
69.07072	10.4
70.64083	2.6
70.64416	2.4
71.01377	1.3
71.05002	5.4
72.08158	1.2
73.02921	13.8
77.78316	1.0
79.05483	4.1
81.03407	3.4
81.07063	8.3
83.08611	5.2
85.02906	25.7
86.09692	3.9
87.04448	1.4
88.86034	1.2
91.05476	3.0
93.07045	8.7
95.04972	3.3
95.08599	10.4
97.02894	20.5
97.06537	15.4
103.03954	1.3
103.05460	2.7
105.07034	6.2
106.06576	1.3
107.04955	2.3
107.08608	11.9
109.02885	2.7
109.06516	10.8
109.10163	7.0
111.08091	2.2
111.11666	1.4
115.03941	8.1
115.07582	1.9
117.08901	1.2
119.08586	10.6
121.10128	5.4
122.03651	1.1
123.04425	1.5
123.08077	6.0
123.11725	8.5
125.09693	1.6
127.03915	7.4
131.04924	2.9
133.05006	7.4
133.06573	1.3
133.10135	25.2
135.04422	2.0
135.11697	20.0
137.05980	13.4
137.09621	5.0
145.04967	7.2
147.11778	1.5
149.13274	16.9
151.07549	2.2
151.11168	3.1
153.12753	2.5
161.06023	2.0
163.03990	1.6
163.06085	2.7
163.07565	1.5
163.67624	1.2
165.06943	1.2
167.07039	4.6
175.07541	2.3
175.14828	32.8
176.15135	1.4
181.08621	1.8
184.07388	3.2
193.15887	63.7
194.16176	1.7
196.09744	1.6
209.02913	1.2
211.16939	100.0
212.17378	1.7
223.06035	1.3
232.13640	1.2
241.07057	1.9
245.69946	1.2
259.08063	2.2
277.09030	1.4
299.85895	1.2
342.04330	1.9
522.12262	3.4
522.32013	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	7.9
57.03422	12.8
60.04512	4.1
61.02934	8.0
67.05481	17.1
69.03436	23.1
69.07088	8.1
70.38387	17.7
73.02912	36.0
81.07063	20.8
83.05011	5.2
85.02914	49.5
91.05479	5.1
93.07079	7.6
95.04972	3.8
95.08598	24.1
97.02901	37.2
104.94079	4.6
105.06988	7.4
107.08573	20.1
108.81290	4.2
109.06530	7.4
109.10158	69.4
111.08110	4.3
115.03943	21.7
118.11638	4.9
119.08566	32.2
121.10155	36.8
123.08042	18.3
123.11687	6.8
127.03919	16.3
133.04965	35.0
133.10114	14.9
135.11694	68.3
135.12698	6.8
137.05960	11.9
137.09619	65.2
139.11185	20.0
145.04955	22.9
149.13242	17.4
151.14862	8.8
163.03893	4.6
163.05977	18.7
163.07245	4.9
175.14821	33.5
193.15877	100.0
194.16156	5.2
223.06020	8.2
241.07152	6.5
259.08084	16.0
269.68723	4.7
272.49655	4.2
280.28479	4.2
295.10193	12.0
355.21194	6.0
443.45282	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	522.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.8
54.54076	0.4
55.01859	0.5
55.05506	12.1
57.03436	6.6
57.07059	1.5
60.04519	0.8
60.08143	1.9
65.03943	0.9
67.05500	25.2
69.07063	14.3
69.95606	2.6
71.07372	0.9
79.05489	7.1
81.07051	23.8
83.04961	0.6
83.08610	6.7
85.06538	1.1
86.09690	8.8
87.10031	2.6
88.03988	6.5
91.05481	3.9
93.07038	7.2
95.04928	0.6
95.08602	18.4
97.06518	1.9
97.10142	3.5
98.21532	0.5
98.86658	0.5
98.98465	5.0
99.08036	0.6
105.07016	2.7
105.50401	0.5
106.05008	1.7
107.08554	4.3
109.10147	7.1
111.08129	0.5
111.11681	0.6
118.23312	0.5
119.08553	2.7
121.10115	3.0
123.11712	2.7
124.99993	6.5
127.00388	0.8
133.10144	2.5
135.11644	1.4
137.13292	1.0
147.11646	1.4
149.13184	1.1
161.13271	1.5
163.14818	0.5
173.02084	1.4
175.14774	0.7
177.52022	0.5
184.07321	22.5
185.07700	7.6
186.07764	6.3
220.92787	0.5
245.22693	0.7
260.05316	0.7
263.23706	1.2
337.27335	100.0
338.27707	2.2
350.26822	2.4
368.52789	0.6
426.80606	0.5
524.85095	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.8
55.01864	6.7
55.05508	45.3
57.03432	8.4
57.07076	20.7
65.03909	1.3
67.05507	29.2
69.03426	2.1
69.07067	44.3
71.04996	3.7
71.08631	14.4
71.52925	1.7
79.05489	24.6
81.02937	1.7
81.03418	41.9
81.07059	34.1
83.04981	11.0
83.08617	49.2
85.02908	17.5
85.10188	5.8
86.09715	1.7
91.05469	26.0
93.07040	18.9
95.04974	21.3
95.08602	17.5
97.02897	2.8
97.06517	3.9
97.10168	27.5
99.08116	2.6
105.07024	17.7
107.04939	9.0
107.08588	8.3
109.06522	2.6
109.10148	9.0
111.04435	2.3
111.08062	6.7
111.11729	8.2
117.07027	3.2
119.08585	14.6
121.10143	10.8
123.08093	3.4
123.11724	3.8
129.07022	5.9
129.64891	1.2
131.08577	7.8
133.10132	9.3
135.11708	6.4
137.09612	1.7
142.07869	2.0
143.08592	1.7
145.06575	1.5
145.10118	5.3
147.08099	1.9
147.11702	7.3
149.09644	6.4
157.10127	7.5
163.11145	7.4
165.12808	1.7
172.95270	2.2
173.09668	2.5
175.11183	10.8
184.07376	4.7
191.10724	1.7
193.12250	34.8
193.13921	2.7
209.11754	5.9
211.13310	38.0
211.15317	2.5
216.69292	1.6
219.21266	1.5
227.12851	3.8
237.22107	13.1
265.14267	2.9
267.15912	7.9
267.73865	1.2
311.25998	2.6
313.27429	1.7
327.81772	1.6
429.33890	3.3
503.37314	4.1
521.38385	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3832
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.3
55.01863	6.7
55.05508	31.7
57.03426	4.3
57.07072	41.5
58.17963	1.0
59.04990	2.1
65.03938	1.4
67.05500	26.1
69.03405	1.8
69.07064	21.2
70.77592	2.1
71.01353	1.4
71.04983	4.0
71.08240	1.7
71.08627	30.1
75.23514	0.9
79.05487	22.4
80.05849	0.9
81.03410	15.3
81.07050	36.9
83.01337	5.6
83.04977	10.5
83.08614	25.2
85.02460	1.1
85.02892	6.2
85.06520	2.1
85.10177	18.3
91.05470	18.5
93.07034	23.0
95.04964	8.8
95.08601	35.5
97.02914	2.6
97.06533	2.9
97.10165	13.5
99.04468	2.4
99.08057	1.1
99.11757	1.1
105.07027	12.2
107.04940	8.0
107.08575	12.7
109.02834	1.0
109.06509	6.6
109.10149	14.5
111.04428	2.7
111.08093	2.4
111.11720	3.5
117.07000	7.6
119.08575	9.6
121.06516	4.1
121.10134	9.4
123.08092	5.4
123.11717	4.5
125.13295	1.3
129.06998	2.4
130.07774	1.4
131.08539	3.0
133.10118	2.4
135.08124	2.1
135.11690	10.0
137.13220	2.9
145.10115	14.2
147.08028	1.6
147.11716	2.2
149.09637	1.6
151.63957	0.9
153.12726	3.1
163.11159	21.6
173.09647	2.1
175.11224	1.8
181.12212	4.1
191.10654	3.3
193.12164	6.6
209.11731	8.6
211.13290	5.1
227.12773	6.1
237.22148	4.1
239.23683	8.5
521.38373	100.0
522.38727	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16062	1.0
50.51553	1.0
53.03931	3.7
55.01873	8.4
55.05511	29.4
57.03427	4.0
57.07075	42.9
58.47258	1.1
67.05145	1.3
67.05507	28.2
69.07066	20.2
69.34234	9.8
71.01340	2.4
71.04991	3.7
71.08629	29.5
79.05489	23.0
81.03413	13.2
81.07056	33.7
83.01346	5.6
83.04993	10.7
83.08618	30.0
85.02917	5.8
85.06551	2.5
85.10178	16.2
85.46906	1.1
91.05473	17.7
93.07042	22.8
95.04987	8.0
95.08607	33.3
97.02882	2.3
97.06523	5.2
97.10169	12.9
99.08075	1.6
105.07031	11.8
107.04956	6.0
107.08588	9.2
109.06519	4.9
109.10158	12.2
111.04436	2.8
111.08038	1.8
111.11698	3.3
117.07053	6.3
119.08588	10.5
121.06528	2.8
121.10162	6.4
123.08037	5.5
123.11693	5.7
125.09609	1.9
125.13282	1.4
129.06990	3.6
131.08542	4.1
133.10103	3.4
135.08083	1.9
135.11693	10.6
137.13271	2.0
145.10123	11.9
147.08067	1.4
147.11649	1.7
149.09607	1.5
151.14870	1.3
153.12735	2.7
155.08548	1.9
157.10124	1.9
158.34235	1.2
163.11185	26.1
173.09674	3.1
181.12244	3.8
191.10681	2.7
193.12239	6.4
209.11743	8.5
211.13264	5.7
227.12761	8.5
233.26837	1.3
237.22154	3.7
239.23703	8.9
267.15939	1.8
308.08923	1.1
521.38391	100.0
522.38818	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	521.2513
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27358	1.2
53.03942	1.5
55.01873	2.8
55.05511	8.0
57.03434	7.2
57.07055	1.4
67.05504	18.2
69.03437	2.7
69.07074	11.4
71.05003	1.1
71.51595	2.3
79.05499	15.8
81.03409	2.5
81.07057	24.1
82.13374	1.1
83.04977	5.1
83.08613	3.8
85.06525	1.6
91.05441	13.1
93.07041	20.3
95.04957	5.9
95.08604	15.4
97.06531	4.2
97.10184	1.8
98.98466	8.1
103.05499	1.4
105.07024	17.7
107.04948	5.6
107.08589	15.5
109.06520	9.0
109.10165	5.2
112.91573	1.1
117.07045	6.2
119.08577	11.9
121.06517	8.9
121.10172	8.9
123.08084	3.5
123.11691	2.6
129.07016	3.2
131.08554	10.8
133.06517	1.9
133.10136	11.4
135.08043	4.5
135.11639	5.8
137.05956	4.8
137.09587	2.7
138.35602	1.3
143.08585	2.3
145.10120	11.2
147.08090	3.6
147.11723	7.0
149.09622	5.0
149.13260	2.9
151.11198	2.5
155.08540	1.9
157.10164	1.5
159.08049	1.5
159.11688	8.2
161.09618	4.4
161.13261	1.9
163.11191	3.6
167.07031	1.7
173.09679	2.3
173.13229	3.7
175.11232	1.8
177.12723	2.3
179.14384	1.3
183.11633	2.4
191.14449	1.9
201.12723	2.1
207.13756	1.4
215.82352	1.4
219.13753	2.7
221.15356	1.7
239.18044	1.7
247.05643	1.2
247.20695	1.4
257.18927	8.6
275.20053	71.1
277.08337	1.2
280.52911	1.3
293.21149	13.6
299.05753	1.2
306.01694	1.2
321.55981	1.3
349.23724	100.0
350.24112	2.3
453.33478	1.5
503.24118	2.6
521.25586	4.3
539.26428	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	521.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.9
55.01511	0.5
70.78561	0.6
70.78893	1.2
77.03895	0.5
79.05480	0.9
85.02888	0.7
91.05453	1.1
95.04954	2.0
102.04602	0.5
103.05461	56.9
104.05806	0.9
105.07043	3.8
107.04931	0.7
115.05463	1.1
119.04928	0.7
131.04922	100.0
132.05241	1.4
133.06494	3.2
137.05991	4.3
147.04424	1.0
161.05974	8.6
163.07538	24.0
164.08015	0.5
175.07510	1.2
178.08640	0.8
179.06995	0.8
179.08957	0.5
187.07571	1.0
209.15422	0.8
231.07953	0.5
279.10083	0.6
286.50928	0.6
308.22330	0.5
311.12473	0.8
323.12515	0.8
456.90756	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2513
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.8
54.36725	0.9
55.01873	3.4
55.05513	8.8
57.03440	7.2
57.07062	1.9
65.03892	1.5
67.05505	20.9
69.03412	1.9
69.07065	11.0
69.41567	7.2
69.41978	2.0
71.05009	1.8
72.08160	1.0
79.05489	18.2
81.03403	3.5
81.07051	27.0
83.04974	4.6
83.08620	3.2
85.06528	1.1
91.05458	18.4
91.05926	1.3
93.07039	23.9
95.04977	7.4
95.08603	16.4
97.06538	6.7
97.10162	2.6
98.21490	1.5
98.98463	7.7
105.07026	21.1
107.04936	6.9
107.08604	14.5
109.06522	8.3
109.10162	7.6
111.08066	2.4
116.35677	1.1
117.07023	5.6
119.08578	9.3
121.06494	9.2
121.10139	9.8
123.08096	5.7
123.11701	2.3
125.09589	1.3
129.06982	1.9
130.70615	1.1
131.08572	15.3
133.06491	3.2
133.10139	13.6
135.08054	4.6
135.11676	4.3
137.06001	1.6
137.09598	2.2
143.08543	1.9
145.06522	1.4
145.10130	10.5
147.08075	2.9
147.11685	8.6
149.09662	5.9
149.13271	2.4
151.07527	1.2
151.11150	2.2
157.10088	2.5
159.08076	3.6
159.11679	6.4
161.09631	2.3
161.13261	3.4
163.11205	4.6
165.09129	1.0
169.10187	1.2
171.11687	1.5
173.02094	1.6
173.06000	1.8
173.09647	2.2
173.13269	3.6
175.11221	2.9
177.12799	2.3
183.11668	1.3
189.88756	1.2
191.14339	1.4
197.13306	1.0
199.07568	1.2
201.12743	2.4
207.13869	3.3
210.98705	1.2
217.04919	2.1
219.13823	2.0
229.19417	1.6
231.17574	1.2
239.18164	1.5
247.20395	2.5
257.18948	8.4
275.20062	71.7
276.20334	2.0
293.21085	14.7
299.06195	1.2
301.06094	1.5
325.33963	1.2
329.13815	3.0
349.23721	100.0
350.23981	2.4
384.62143	1.1
489.18329	2.0
503.24289	2.2
521.25269	4.8
539.26337	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	520.3398
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14167	0.4
55.05494	1.1
56.05021	1.5
57.03431	0.5
58.06596	1.1
60.08163	16.9
60.50323	0.4
67.05501	3.2
69.07061	1.3
69.86215	2.6
70.06577	0.4
71.07374	6.5
76.18008	0.4
79.05480	1.1
81.07051	3.4
86.09705	52.5
91.05469	0.8
91.11252	0.4
93.07043	1.1
95.04986	0.4
95.08607	2.2
98.98454	4.6
104.10741	97.2
105.11068	0.7
109.10081	0.7
125.00001	28.2
163.01595	0.6
184.07338	100.0
185.07739	1.0
258.11081	1.0
337.27350	0.8
350.58578	0.5
502.32870	8.8
520.33954	26.9
521.34088	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.6
69.03424	1.1
70.62722	1.4
81.03407	0.7
85.02908	1.9
85.35234	0.4
91.05482	2.4
103.05466	45.2
104.05795	0.6
105.07008	1.1
107.04933	0.6
119.04963	3.3
128.35008	0.5
131.04927	100.0
132.05257	1.0
133.06517	0.9
137.05966	4.1
147.04428	4.5
151.07567	0.6
161.05965	1.7
163.07542	34.2
175.07553	0.5
179.05641	0.5
179.07011	3.0
235.10828	0.5
258.57651	0.5
294.34302	0.5
389.61374	0.6
445.69617	0.5
448.87494	0.6
454.81088	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	4.7
57.03429	3.9
67.05492	5.6
69.03429	8.9
69.07059	9.5
69.84876	12.6
70.06598	5.4
71.05019	12.5
72.08157	3.1
73.02902	4.7
79.05486	7.1
81.03412	5.8
81.07055	8.9
83.04974	3.1
84.04497	4.5
84.08121	2.5
85.02905	13.5
85.06565	6.6
86.09713	4.2
91.05460	13.5
93.07050	10.9
95.04970	8.4
95.08596	8.5
96.05323	3.0
97.02896	10.1
97.06527	13.2
103.05444	4.5
105.07053	13.0
106.06548	3.0
107.04947	14.3
107.08601	15.5
109.02905	2.9
109.06519	5.6
109.10148	6.0
111.08100	3.4
115.03918	14.8
117.07030	6.1
119.04972	3.4
119.08577	10.1
120.08131	4.0
121.06490	4.6
121.10153	24.7
122.03650	5.7
123.04453	4.8
123.08063	3.3
125.48872	2.4
129.07013	5.4
131.04950	7.2
131.08522	5.9
132.05768	2.5
133.02823	4.3
133.04968	13.7
133.10129	69.0
135.04451	3.9
135.08070	14.1
137.05980	51.7
138.06334	12.5
145.06537	3.7
147.04449	4.4
147.11699	10.0
149.06001	6.0
149.13240	9.5
151.03946	6.2
151.07527	8.0
153.05484	3.2
157.06476	4.1
161.05977	25.3
161.09636	3.3
163.03879	4.6
163.07510	5.4
167.07066	9.4
173.13211	16.6
175.07515	12.4
177.09071	3.4
178.08655	3.1
180.02312	2.9
181.04857	3.2
181.08609	2.8
187.07513	5.2
188.08002	4.5
189.05386	2.5
189.09096	9.0
191.14304	100.0
196.09821	2.6
199.07550	3.1
207.10181	6.2
209.15382	2.9
217.04881	6.0
235.07433	3.3
247.07475	2.5
250.09528	3.6
253.08667	2.9
259.07828	6.5
262.78073	3.1
265.08554	5.5
266.08817	3.5
277.08627	5.4
291.09894	2.6
293.11475	3.3
295.10022	8.8
297.11212	6.8
298.11554	3.7
321.11191	6.1
329.10120	6.2
338.11160	3.2
339.12247	5.4
340.12589	5.0
341.13739	3.5
370.13620	6.7
502.19354	4.2
520.19757	10.9
521.21661	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	520.275
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69908	0.7
53.03940	1.3
54.24293	0.7
55.01865	0.7
55.05490	1.1
56.14798	0.7
57.03431	1.6
57.07067	1.5
58.76575	0.7
60.86768	0.7
61.02914	1.0
65.03952	0.8
65.86151	0.7
66.61098	0.7
67.05492	1.3
68.11324	0.7
69.03410	2.7
69.07040	0.9
69.49445	2.1
69.49857	3.7
73.02909	6.4
79.05480	3.3
81.07050	2.2
85.02901	3.0
91.05457	7.9
93.07035	4.6
95.04942	1.3
95.08609	1.3
97.02870	3.3
99.04454	1.5
103.05441	1.0
105.07044	11.5
107.04913	1.3
107.08580	10.2
109.02927	0.9
109.06517	1.2
115.03892	1.7
115.05474	1.5
116.06190	1.1
117.07021	5.5
119.08591	10.1
121.10146	12.0
123.08102	1.1
127.03913	1.5
129.06987	4.2
130.07802	1.9
131.08574	17.9
133.04924	1.4
133.10127	3.5
135.08035	3.2
137.06001	4.7
138.06320	1.1
143.08575	9.4
144.09323	3.4
145.04929	1.5
145.10126	13.0
147.11690	5.4
149.09619	1.0
149.13280	8.0
151.03915	1.0
158.10916	10.5
167.07181	0.9
173.13257	24.5
175.14803	4.0
191.14302	100.0
192.14662	1.1
209.15346	1.3
216.17006	0.8
227.16379	1.7
257.67511	0.7
269.19019	0.9
464.04742	0.9
520.20575	2.7
521.18488	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36087	1.4
53.03941	2.3
55.01857	1.9
55.05500	7.1
57.03428	1.6
57.07072	2.2
59.04996	2.2
61.02913	1.5
64.16412	1.4
67.05500	9.2
68.52654	1.4
69.03413	6.1
69.07062	8.2
70.06568	1.9
71.04993	28.0
71.12297	3.0
73.06538	6.2
79.05498	10.7
79.05898	2.0
81.03388	2.9
81.07054	25.2
83.04974	2.7
83.08609	4.7
85.02901	11.0
85.06536	2.5
87.00793	3.8
89.92493	1.4
91.05464	10.5
93.07043	22.8
95.04957	3.8
95.08600	36.9
97.02888	3.8
97.06522	5.6
97.10153	1.6
99.08070	3.7
103.05462	2.4
105.01856	5.2
105.02509	1.3
105.07028	33.5
107.04980	2.6
107.08594	22.6
108.14428	1.6
109.02878	5.1
109.10159	16.8
111.08112	2.1
117.07014	1.9
119.08601	10.9
121.06496	3.4
121.10138	15.2
123.11684	6.6
125.09643	21.8
127.03896	6.1
127.07527	2.3
127.11163	3.8
127.39263	1.7
129.07002	1.7
131.08546	7.1
133.02838	5.9
133.10124	46.9
134.03017	1.8
137.05968	14.2
138.06313	3.9
143.10667	26.5
145.04964	3.3
145.10112	6.5
147.11667	13.6
149.13271	28.5
151.07574	3.6
151.11166	2.5
153.05508	2.2
159.02863	1.7
159.08018	3.2
159.11678	5.9
161.13255	6.5
165.05493	2.4
167.05763	1.8
167.07019	8.1
167.14310	100.0
168.07344	2.0
169.12186	2.3
175.07497	4.3
176.07935	1.9
187.07518	3.9
188.08009	2.1
201.16414	11.4
203.17955	1.6
219.08138	1.9
219.17413	39.9
233.94154	1.7
237.18477	5.9
264.07419	2.5
265.08560	2.1
267.09995	1.7
278.09232	2.5
279.10052	1.7
297.10980	1.5
307.09750	1.8
322.11411	1.7
339.12222	3.1
449.21591	1.6
485.23492	2.0
502.19354	2.6
520.19635	3.5
540.62268	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.4044
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.7
55.01864	8.8
55.05511	49.0
57.03442	3.3
57.07077	59.3
59.04980	2.6
65.03945	3.5
67.05505	64.4
69.03435	1.8
69.07069	44.5
71.04985	2.3
71.08245	2.4
71.08634	38.3
71.30676	2.3
71.31010	2.3
77.03911	2.4
79.05495	77.0
81.03423	14.9
81.07058	62.5
83.01329	2.5
83.04980	15.9
83.08618	43.3
83.83346	1.4
85.02919	1.9
85.06538	3.4
85.10175	19.6
91.05481	58.3
93.07043	59.6
93.07635	3.1
95.04969	24.1
95.08607	49.7
96.44884	1.4
96.62971	1.4
97.06551	8.8
97.10166	26.3
99.28459	1.5
105.04505	3.0
105.07034	35.8
107.04958	12.5
107.08591	17.7
109.06528	10.4
109.10151	15.0
111.04441	1.6
111.08096	4.4
111.11716	6.1
115.05469	2.1
117.07008	9.9
119.08573	25.7
121.06516	3.3
121.10145	8.7
121.16888	1.4
123.08052	8.5
123.11715	6.6
125.13315	1.9
127.07577	2.4
128.06180	2.9
129.06995	15.2
131.08559	4.4
133.10106	10.2
135.07991	2.1
135.11731	9.7
137.13284	3.7
143.08583	4.9
145.10126	20.9
147.08057	2.3
147.11690	32.9
153.12717	2.9
161.08295	2.0
161.09631	4.7
161.13269	12.3
163.11177	17.9
171.11700	28.7
173.09578	2.8
181.12282	3.1
189.12717	11.1
191.10677	2.5
203.31474	1.6
207.13789	38.0
209.11723	5.0
214.94504	1.6
225.14824	3.6
227.12730	8.3
237.22145	4.7
239.23636	7.6
281.17285	3.1
354.50970	1.4
389.74994	1.7
519.40039	100.0
520.37152	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	520.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.8
55.05510	8.0
57.03199	0.8
57.03435	7.9
57.07055	0.9
58.45858	0.7
60.04512	1.5
60.08147	2.4
65.03922	1.1
67.05504	34.2
69.07065	7.1
69.23267	7.4
71.07369	1.3
72.41469	0.8
79.05492	16.1
81.07056	27.2
83.04982	1.3
83.08598	2.9
86.09231	1.1
86.09705	13.3
86.45304	0.7
87.10031	4.5
88.03985	7.3
91.05463	7.0
93.07035	17.7
95.04948	2.3
95.08603	22.8
97.06522	1.1
97.10165	1.2
98.98471	5.7
100.87104	0.7
104.10728	0.9
105.07024	4.0
106.05013	1.7
107.08575	7.9
109.10148	9.1
111.08089	1.5
117.07008	1.7
119.08570	3.4
121.10149	6.1
123.11694	2.1
124.99971	9.0
126.00344	1.6
127.00425	1.3
131.08565	1.8
133.10144	2.5
135.11743	3.7
137.09605	1.0
145.10144	1.7
147.11662	1.0
149.13281	1.0
149.22864	0.8
155.01123	1.0
159.11653	1.2
161.13205	1.2
173.02119	2.2
182.58951	0.8
184.07341	33.1
185.07692	14.4
186.07803	8.9
258.89484	0.7
260.05212	1.3
261.22174	1.6
322.44803	0.8
335.25797	100.0
336.17154	0.8
336.26138	2.4
348.25375	1.9
418.02963	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.3
57.03436	5.1
59.05010	7.1
61.51075	3.1
64.43890	3.1
65.03938	3.7
67.05511	7.1
69.03432	10.9
69.07068	3.7
70.00505	15.1
70.06602	6.7
71.05000	3.4
73.02917	7.0
78.22699	3.6
79.05500	13.1
80.35097	3.5
81.03424	7.9
81.07050	6.1
83.04989	6.4
84.08171	5.7
85.02891	25.1
87.04454	5.3
91.05410	5.6
93.07043	10.9
95.04977	19.5
95.08593	5.0
97.02882	11.2
99.04443	4.2
103.05489	5.1
103.32446	3.5
105.07034	15.9
107.04937	19.1
107.08583	28.7
109.02885	6.8
109.06526	12.8
109.10184	13.6
111.04452	6.0
113.06011	4.3
115.03905	4.2
117.06984	4.5
119.05006	4.0
119.08597	10.2
121.06499	9.2
121.10167	4.9
122.03693	4.1
123.04445	4.6
123.08081	16.1
125.02325	4.1
127.03949	9.4
131.04935	10.9
133.06503	6.9
133.10085	3.8
135.04446	17.1
135.08044	4.5
135.11691	12.6
137.05969	61.0
137.09607	100.0
139.03818	3.7
145.04968	8.6
147.11702	10.4
149.05991	6.9
149.09612	7.1
151.03923	15.0
151.07550	5.4
153.05495	4.9
157.06485	3.4
161.06007	8.3
161.13277	11.9
163.03989	5.2
165.05521	8.4
167.05562	10.0
167.07062	11.3
177.05455	14.4
187.03923	4.0
187.07520	6.8
189.12798	13.7
191.07051	8.3
191.14415	3.9
195.06575	7.9
207.13812	37.3
209.08118	10.4
225.14850	11.1
233.24646	3.4
235.07413	4.3
299.06119	11.7
327.08826	3.8
365.14059	5.3
498.88840	3.7
501.19666	4.8
519.19165	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	519.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05496	7.5
69.84809	19.4
80.43948	3.7
85.02872	6.5
85.06551	8.9
93.06995	6.1
95.08608	64.1
98.15650	3.6
98.20839	6.1
107.08618	8.0
113.05986	10.2
119.08573	6.6
121.10181	4.6
123.08083	21.6
135.02072	3.9
135.11705	10.4
149.09619	32.6
151.07619	5.1
161.13277	16.8
163.11192	6.6
189.12766	15.5
196.14583	4.2
207.13803	100.0
225.15033	4.1
370.76508	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	519.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	3.5
65.03912	2.2
66.11925	1.6
67.05486	1.6
69.03439	2.9
69.26740	2.1
69.27063	17.6
73.02918	3.0
73.04742	1.8
79.05482	6.6
80.55819	1.7
81.07027	2.6
85.02891	5.0
89.03896	2.4
90.66798	1.6
91.05457	19.1
93.07022	2.1
94.04189	3.4
95.04946	7.7
97.02866	2.7
103.05457	19.4
105.07021	14.8
107.04946	10.0
109.06527	4.0
111.04364	2.0
115.05464	12.9
116.06255	2.2
117.06998	3.9
119.04934	6.3
119.08575	4.9
121.06493	8.6
121.10109	1.7
122.03693	8.0
122.35288	1.6
123.04375	3.7
125.02355	1.8
128.06232	5.0
129.07004	11.7
130.04997	7.5
131.04935	21.9
131.08585	2.0
132.05693	7.1
133.02809	3.6
133.06482	12.1
135.04414	5.2
136.04758	1.9
136.07510	1.7
137.05975	100.0
139.05322	1.8
141.06989	2.3
144.05710	5.6
145.02802	2.7
145.06459	7.7
146.03583	1.9
147.04359	9.0
147.08005	7.1
149.05995	8.8
151.03865	8.5
151.07520	8.6
153.05432	2.5
156.05643	2.9
157.06479	8.4
159.04370	3.2
159.08037	11.5
160.05165	6.4
161.05980	44.7
161.09578	3.7
162.06773	1.8
163.03932	16.7
163.07530	25.3
164.04204	6.1
165.04387	3.8
165.06929	2.5
165.08986	2.4
167.05734	2.9
167.07045	7.7
167.08356	2.0
169.06500	1.8
172.03905	6.3
172.05205	12.1
173.05927	4.1
174.06799	3.7
175.07547	35.3
177.05441	5.1
177.09102	5.6
179.07010	5.1
185.06000	9.0
187.05890	3.4
187.07542	50.8
187.09204	2.9
189.06947	2.0
189.09044	6.0
191.07002	8.9
193.06509	2.0
194.07295	5.3
195.06573	3.7
199.07526	14.4
201.09198	4.6
202.07710	4.1
203.07001	12.6
203.08578	3.8
204.06570	14.0
205.06734	3.6
207.13794	2.4
211.07500	3.2
215.06908	2.1
215.08679	3.6
217.06569	3.1
217.08569	25.6
218.07230	3.5
219.07991	6.2
220.08905	2.1
221.05823	3.1
222.06760	5.1
223.07442	3.6
225.09000	2.8
225.14835	1.8
229.06546	2.1
231.08054	6.0
232.08826	3.8
233.05933	2.3
233.09717	2.9
234.06763	4.5
235.07472	3.6
237.09013	4.0
238.06262	1.8
242.07309	1.7
243.08089	4.0
244.08905	2.7
245.05814	1.8
246.06808	3.6
247.07533	5.3
248.08235	3.5
249.09070	5.9
250.06195	1.8
251.07019	4.1
252.07744	2.1
253.08563	4.7
259.07501	4.5
260.08261	2.7
261.08994	9.1
263.06992	3.4
263.10693	2.6
265.08524	13.2
266.09320	2.1
267.10095	3.5
268.07202	2.3
273.09027	2.0
275.10620	3.3
277.08435	8.5
278.09186	2.9
279.10284	4.9
281.07950	1.6
281.11682	6.8
283.09662	12.9
285.11346	8.3
288.07684	2.0
289.08551	6.5
290.09338	2.5
291.06982	2.4
291.10071	7.9
293.08044	2.8
293.11658	3.3
294.08734	1.9
295.09671	4.5
297.11246	20.2
299.06229	4.1
300.07465	1.7
300.71753	1.8
301.08511	2.8
303.10291	5.7
305.08145	2.3
306.08923	2.8
307.09756	5.1
309.11197	11.1
315.12582	16.3
320.10602	2.9
321.07727	2.0
321.11255	31.9
322.12109	2.3
323.12692	5.9
325.10703	4.1
331.09320	2.5
332.10602	2.8
333.11194	3.3
335.12787	15.3
339.12250	5.2
340.13004	4.0
346.11984	2.1
347.12805	12.4
357.14041	2.0
364.10822	1.9
365.13846	8.7
377.13870	3.3
439.15414	3.9
459.17883	6.0
471.17938	15.2
489.19073	11.9
501.19086	22.2
519.19904	51.2
520.19806	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	519.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.4
61.96984	1.5
65.56660	1.6
66.97649	1.7
67.05503	3.3
68.61438	1.7
68.82076	1.4
69.03428	5.1
71.51284	3.1
72.89375	1.6
78.75488	1.4
79.05494	9.9
81.03421	3.7
81.07046	3.2
85.02901	8.9
91.05450	8.4
93.07029	4.5
94.04173	3.4
95.04380	3.2
95.04966	45.6
97.02883	7.3
103.05462	8.9
104.22079	1.8
105.03421	2.0
105.07032	10.5
107.04960	38.2
109.02869	18.3
109.06527	5.1
115.05439	3.3
117.07031	1.7
119.04933	5.1
121.06490	10.8
122.03630	7.6
123.04447	10.9
125.02351	17.7
125.05968	3.2
127.03905	6.1
129.06990	4.7
129.89850	1.6
131.04939	7.5
131.08615	1.8
133.02837	6.3
133.06470	6.8
135.04404	6.5
137.05978	100.0
140.87677	1.9
144.05669	3.0
145.05003	1.7
145.06470	2.6
146.65089	1.5
147.04381	3.5
147.07915	1.8
149.05994	14.7
151.03909	67.5
151.07544	7.2
153.05435	6.8
157.06447	1.9
158.83975	1.6
159.04419	2.3
159.08032	2.7
160.05205	2.3
161.05980	20.6
163.03790	2.3
163.07559	4.4
167.07036	6.2
172.05212	5.2
174.06827	2.1
175.07545	10.8
177.05470	19.7
179.07019	2.3
187.07555	15.6
189.09108	5.7
191.07021	4.3
195.06531	36.5
199.07552	2.2
205.06407	2.7
207.08083	3.1
210.06721	2.0
211.07497	3.9
212.24081	1.6
213.07443	3.9
213.09203	2.8
217.08568	5.2
218.07176	1.7
219.08009	3.3
221.05923	2.1
225.09045	2.2
231.08023	2.4
232.08771	2.1
235.07516	3.2
240.07767	1.8
241.08527	4.5
247.07529	3.6
248.08344	2.2
249.09155	2.9
251.06947	2.0
253.08447	1.9
261.09109	5.5
262.09824	2.0
263.06992	3.6
264.07935	3.2
265.08551	4.1
267.09879	1.9
270.08871	1.7
271.05936	24.7
272.08466	2.1
277.08560	4.9
278.09186	1.8
283.09735	3.7
289.08578	5.3
291.10056	5.7
295.09830	3.5
297.11105	4.6
299.06271	2.8
303.10159	5.0
304.10712	2.4
305.07953	2.7
305.11652	3.6
307.09622	7.2
309.11371	2.9
315.09927	4.1
317.07962	2.6
319.09567	2.9
320.10562	3.6
320.25800	1.8
321.11157	6.5
321.21225	1.7
323.12616	4.9
332.10373	4.3
333.11148	2.3
335.12866	11.4
339.12115	3.9
347.12845	11.3
357.12079	2.1
359.12424	2.7
365.13904	16.8
366.92151	2.1
367.83957	1.9
377.13809	5.0
384.09756	2.1
385.10571	3.4
387.11716	2.3
395.14716	7.2
415.11569	3.9
429.13217	5.0
430.13837	3.0
439.15103	2.1
448.15186	25.4
449.15799	6.0
451.15527	2.1
471.18057	4.2
483.18051	2.9
487.17154	3.6
489.19275	3.4
501.19165	15.5
519.19830	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	519.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	3.5
65.03912	2.2
66.11925	1.6
67.05486	1.6
69.03439	2.9
69.26740	2.1
69.27063	17.6
73.02918	3.0
73.04742	1.8
79.05482	6.6
80.55819	1.7
81.07027	2.6
85.02891	5.0
89.03896	2.4
90.66798	1.6
91.05457	19.1
93.07022	2.1
94.04189	3.4
95.04946	7.7
97.02866	2.7
103.05457	19.4
105.07021	14.8
107.04946	10.0
109.06527	4.0
111.04364	2.0
115.05464	12.9
116.06255	2.2
117.06998	3.9
119.04934	6.3
119.08575	4.9
121.06493	8.6
121.10109	1.7
122.03693	8.0
122.35288	1.6
123.04375	3.7
125.02355	1.8
128.06232	5.0
129.07004	11.7
130.04997	7.5
131.04935	21.9
131.08585	2.0
132.05693	7.1
133.02809	3.6
133.06482	12.1
135.04414	5.2
136.04758	1.9
136.07510	1.7
137.05975	100.0
139.05322	1.8
141.06989	2.3
144.05710	5.6
145.02802	2.7
145.06459	7.7
146.03583	1.9
147.04359	9.0
147.08005	7.1
149.05995	8.8
151.03865	8.5
151.07520	8.6
153.05432	2.5
156.05643	2.9
157.06479	8.4
159.04370	3.2
159.08037	11.5
160.05165	6.4
161.05980	44.7
161.09578	3.7
162.06773	1.8
163.03932	16.7
163.07530	25.3
164.04204	6.1
165.04387	3.8
165.06929	2.5
165.08986	2.4
167.05734	2.9
167.07045	7.7
167.08356	2.0
169.06500	1.8
172.03905	6.3
172.05205	12.1
173.05927	4.1
174.06799	3.7
175.07547	35.3
177.05441	5.1
177.09102	5.6
179.07010	5.1
185.06000	9.0
187.05890	3.4
187.07542	50.8
187.09204	2.9
189.06947	2.0
189.09044	6.0
191.07002	8.9
193.06509	2.0
194.07295	5.3
195.06573	3.7
199.07526	14.4
201.09198	4.6
202.07710	4.1
203.07001	12.6
203.08578	3.8
204.06570	14.0
205.06734	3.6
207.13794	2.4
211.07500	3.2
215.06908	2.1
215.08679	3.6
217.06569	3.1
217.08569	25.6
218.07230	3.5
219.07991	6.2
220.08905	2.1
221.05823	3.1
222.06760	5.1
223.07442	3.6
225.09000	2.8
225.14835	1.8
229.06546	2.1
231.08054	6.0
232.08826	3.8
233.05933	2.3
233.09717	2.9
234.06763	4.5
235.07472	3.6
237.09013	4.0
238.06262	1.8
242.07309	1.7
243.08089	4.0
244.08905	2.7
245.05814	1.8
246.06808	3.6
247.07533	5.3
248.08235	3.5
249.09070	5.9
250.06195	1.8
251.07019	4.1
252.07744	2.1
253.08563	4.7
259.07501	4.5
260.08261	2.7
261.08994	9.1
263.06992	3.4
263.10693	2.6
265.08524	13.2
266.09320	2.1
267.10095	3.5
268.07202	2.3
273.09027	2.0
275.10620	3.3
277.08435	8.5
278.09186	2.9
279.10284	4.9
281.07950	1.6
281.11682	6.8
283.09662	12.9
285.11346	8.3
288.07684	2.0
289.08551	6.5
290.09338	2.5
291.06982	2.4
291.10071	7.9
293.08044	2.8
293.11658	3.3
294.08734	1.9
295.09671	4.5
297.11246	20.2
299.06229	4.1
300.07465	1.7
300.71753	1.8
301.08511	2.8
303.10291	5.7
305.08145	2.3
306.08923	2.8
307.09756	5.1
309.11197	11.1
315.12582	16.3
320.10602	2.9
321.07727	2.0
321.11255	31.9
322.12109	2.3
323.12692	5.9
325.10703	4.1
331.09320	2.5
332.10602	2.8
333.11194	3.3
335.12787	15.3
339.12250	5.2
340.13004	4.0
346.11984	2.1
347.12805	12.4
357.14041	2.0
364.10822	1.9
365.13846	8.7
377.13870	3.3
439.15414	3.9
459.17883	6.0
471.17938	15.2
489.19073	11.9
501.19086	22.2
519.19904	51.2
520.19806	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	519.186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	4.0
56.67658	1.9
57.03426	5.4
67.05505	2.1
67.56381	1.8
69.03429	5.3
69.43822	1.9
69.72437	6.7
69.72858	6.5
73.02906	5.7
75.16885	2.0
79.05486	5.2
81.03416	2.7
81.07055	2.9
85.02901	4.3
86.09675	2.1
89.40802	2.0
91.05456	4.6
93.07050	2.6
95.04973	11.8
95.08653	2.6
97.02887	3.9
98.21452	2.7
103.05461	5.7
105.07015	4.1
107.04945	14.7
109.02888	5.0
109.93272	1.8
115.05460	4.1
117.07063	2.1
118.56203	2.0
119.04936	3.2
121.06509	3.6
122.03652	2.2
123.04449	5.9
124.05280	1.7
125.02317	6.0
125.06000	2.6
127.03923	2.4
129.07008	2.1
131.04926	7.1
131.08539	2.7
133.02834	8.2
133.06476	3.4
137.05978	25.0
137.09625	3.0
145.06503	2.6
147.04358	3.7
148.88719	1.9
149.05931	6.3
151.03889	14.5
151.07509	2.8
152.04694	3.6
153.01802	3.1
153.05469	3.5
154.25356	2.0
155.07147	2.6
157.06491	3.4
159.08089	3.5
159.92175	2.1
161.05998	8.0
163.03883	3.6
163.07542	4.5
165.05507	2.1
167.05637	4.2
167.07028	36.7
171.04463	2.1
172.05199	2.7
175.07561	10.9
177.05478	8.6
178.07771	2.4
181.04999	2.7
185.06059	2.1
187.07529	7.3
189.07120	2.4
189.08975	2.3
191.07014	7.3
191.08546	2.7
195.06474	9.6
202.07808	3.9
203.06992	2.3
203.08717	3.7
205.06631	3.1
217.08589	3.0
218.07120	3.3
219.08066	6.5
220.08659	2.5
221.06085	2.7
221.09599	2.1
230.07356	2.1
231.08040	5.8
234.06787	3.8
235.07362	2.7
237.09129	3.5
247.07513	4.0
248.08311	5.1
249.09081	4.8
259.07553	4.9
261.09167	3.0
263.07117	3.4
265.08591	5.6
266.09543	2.2
271.06015	100.0
274.06277	2.4
275.06784	3.0
276.07761	5.4
277.08588	5.7
278.09305	4.9
279.10184	4.9
289.08527	3.5
291.06934	2.0
291.10193	8.2
293.08041	5.8
294.09262	2.6
295.09735	3.1
297.11441	2.3
299.06055	2.6
305.08047	8.2
306.08658	3.3
307.09604	4.7
309.11118	3.8
319.09637	12.2
321.11090	5.6
322.08511	3.2
323.09222	2.3
336.14001	2.5
337.10684	22.7
339.12338	13.6
347.12759	2.5
351.12216	17.8
357.13257	9.8
369.13293	22.5
387.14441	7.1
501.18759	5.7
519.20428	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	519.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	4.7
57.03441	4.3
64.22038	3.6
65.03932	5.8
67.05503	7.8
69.03458	5.9
70.34760	3.2
71.03154	8.6
75.01418	4.2
77.03918	6.8
78.04727	5.9
79.05490	11.3
81.07050	5.2
85.02886	6.0
89.03929	8.2
91.05476	17.6
93.07064	7.9
94.04186	6.1
95.04957	17.7
98.21489	4.3
102.75777	3.5
103.05461	16.5
105.03382	9.2
105.07005	18.6
107.04939	26.6
109.02921	4.8
111.04427	7.2
115.05465	12.3
117.03351	5.9
117.07020	7.3
119.04987	6.4
119.08543	6.2
121.06517	12.3
122.03654	7.0
123.04456	10.6
125.05997	4.8
128.06241	7.8
129.06995	13.4
131.04926	15.0
132.05711	7.0
133.02853	94.1
133.06509	10.2
135.04375	7.7
135.08119	4.5
137.05965	100.0
143.04893	4.2
144.05655	6.5
145.06427	8.4
147.04424	7.4
147.08044	7.3
147.46230	4.1
149.05965	25.6
151.03922	11.7
151.07489	21.8
153.05453	12.7
155.04880	5.7
157.06541	4.5
159.08041	26.7
160.05182	5.9
161.05952	23.4
161.09612	4.8
163.03816	6.2
163.07590	7.7
165.05493	19.2
165.06892	9.7
167.05643	7.1
167.07018	63.0
172.05194	12.9
175.07512	47.4
177.05513	7.8
179.07028	8.4
187.07539	61.4
189.07076	4.8
189.09164	8.6
191.06985	10.5
191.08577	7.0
194.07242	5.5
195.06479	8.9
195.08057	5.0
199.07516	15.2
203.08621	7.0
205.06546	4.3
206.07333	7.1
217.08539	7.2
218.07227	7.5
219.07997	13.0
220.08696	5.1
221.09650	4.9
223.07545	8.7
224.08304	5.7
225.09061	5.8
231.08107	10.1
233.05969	5.5
233.09491	4.4
234.06723	8.5
235.07547	11.1
237.09151	5.6
240.07773	6.3
241.08528	6.2
245.09560	5.1
247.07535	11.5
248.08307	7.7
249.09070	15.3
251.06940	5.8
251.10776	5.7
255.10289	11.5
259.07593	10.5
261.09113	12.5
262.09866	5.2
263.07132	6.7
263.10678	7.9
264.07941	6.0
265.08688	8.2
266.09259	4.0
275.06946	6.6
275.10660	5.0
276.07846	12.7
276.10883	4.6
277.08582	15.9
278.09396	8.5
279.06467	5.9
279.10190	12.6
287.12872	8.7
288.07678	5.2
289.08450	8.0
290.09433	7.9
291.10126	11.3
293.08026	10.7
293.11511	10.7
294.08521	4.2
295.09689	7.2
297.11078	4.4
299.06125	5.2
303.72778	4.6
305.08072	13.4
305.11557	10.3
306.08884	7.5
307.09613	14.4
308.10367	6.8
309.11130	11.6
311.12857	7.5
319.09644	15.3
321.11108	14.5
323.09219	4.4
324.13504	13.6
325.10687	4.5
325.14319	6.5
335.12930	8.8
336.13480	11.6
337.10696	11.6
337.14337	8.1
338.11526	8.4
339.12241	71.3
347.12790	6.4
351.12280	31.0
357.13306	9.9
365.14102	5.3
369.13220	12.6
387.14157	6.7
489.18961	7.4
501.18793	15.6
519.20020	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	519.186
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63633	4.0
55.01867	22.4
57.03423	15.4
61.02929	5.2
67.05539	4.2
69.03429	10.7
69.98365	9.2
69.98768	19.4
73.02920	24.9
75.27437	5.0
79.05474	21.9
81.03426	7.8
81.07008	5.8
82.95961	4.5
86.36845	4.1
91.05487	13.8
92.19718	4.2
93.07017	5.4
94.04179	4.7
95.04959	30.4
97.02881	8.2
98.21442	7.2
103.05462	17.3
105.07025	10.8
107.04962	38.2
109.02872	5.3
115.05466	11.1
117.07030	7.0
118.04145	4.4
119.04903	7.1
119.08564	6.5
121.06519	7.6
122.03628	6.1
123.04414	15.6
125.02367	10.2
126.71815	4.7
127.03924	4.5
129.06966	4.8
130.04155	5.0
131.04906	22.6
133.02872	12.1
133.06525	8.6
135.04375	7.6
137.05986	62.9
137.09575	7.3
143.04904	4.7
144.05551	5.0
145.06491	10.0
147.04440	11.4
147.08026	6.1
149.05978	19.5
151.03879	32.7
151.07549	8.0
153.05489	6.2
155.04973	8.2
157.06419	6.4
159.04443	5.9
161.05992	19.2
163.07542	10.5
165.09100	6.0
167.07016	100.0
172.05293	5.1
175.07558	20.4
176.04665	7.1
177.05507	33.2
177.09123	7.2
178.07808	6.6
181.04935	5.7
185.05949	7.3
187.07474	22.4
189.07028	6.3
190.07903	5.2
191.06984	24.0
193.08740	8.4
195.06511	27.9
199.07542	5.3
203.06990	10.1
203.08664	8.4
205.06479	9.1
215.07007	12.4
217.08693	13.8
218.07300	8.2
219.08104	10.6
220.08850	10.4
221.06136	5.5
221.09572	11.3
222.06680	5.0
231.08047	17.1
233.05997	9.1
234.06821	10.7
235.07607	8.2
237.09012	4.6
245.06004	10.1
246.06787	9.4
247.07578	23.1
248.08362	15.0
249.09087	11.9
250.06322	6.0
251.06961	9.5
259.07458	19.4
260.08310	11.4
261.09070	11.3
262.06146	5.4
263.07132	9.3
263.10553	5.0
264.07828	13.5
265.08588	11.7
266.09515	8.5
271.05994	66.9
273.05402	7.0
275.07144	10.1
276.07758	20.9
277.08588	18.4
278.09299	9.9
279.10178	18.3
287.07013	16.1
289.08539	12.9
290.09225	5.8
291.07004	6.8
291.10080	26.1
292.07123	10.0
293.08005	13.7
294.08716	7.9
297.11237	6.9
303.06485	5.4
303.10019	5.1
304.07382	9.6
305.08011	49.5
306.08685	9.5
307.09482	23.1
309.11160	10.0
318.08661	6.3
319.09598	44.9
321.07471	7.4
321.11133	11.7
323.12695	8.6
324.09888	5.6
327.12134	7.6
337.10678	85.1
338.11224	7.3
339.12354	50.3
351.12277	85.7
357.13297	45.9
369.13342	78.1
387.14456	33.2
501.19000	10.1
519.19727	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	519.1709
Annotation	4'-O-beta-D-glucopyranosylgentiopicroside
Peak:m/z	Relative Intensity
53.03941	4.4
55.01860	2.0
57.03391	1.8
57.07771	1.7
67.05482	3.2
69.03424	7.4
69.34944	1.3
69.73322	8.4
69.73740	2.2
70.11430	1.4
71.04989	1.7
73.02909	1.6
74.13580	1.4
79.05485	7.2
81.03404	5.4
81.07047	2.4
85.02902	9.8
91.05472	4.7
93.07020	6.2
93.83055	1.6
94.64512	1.5
95.04966	64.4
96.37808	1.4
97.02897	11.3
103.05461	6.6
105.03384	3.3
105.07027	7.9
107.04952	42.9
109.02876	24.5
109.06506	4.2
115.05428	1.8
121.06499	7.7
122.03650	3.4
123.04399	10.8
125.01488	2.4
125.02341	26.7
125.05997	4.4
127.03917	8.6
129.06978	2.1
131.04883	4.5
133.02844	3.5
133.06483	3.7
135.04370	7.3
137.05971	33.5
145.04933	2.6
147.04306	1.9
149.05978	14.9
151.03897	100.0
151.07545	3.4
153.05490	7.8
159.08034	2.8
161.05966	6.1
165.05429	1.9
167.07001	3.5
172.05170	1.9
175.03812	1.5
175.07523	5.2
177.05443	24.5
182.02261	1.6
187.06035	1.5
187.07504	8.8
195.06523	44.9
213.07597	4.1
217.08704	2.2
224.24022	1.4
247.07681	2.6
261.09244	2.5
265.08530	2.5
271.05927	7.7
289.08615	2.5
295.65448	1.5
307.09415	2.3
309.11246	1.8
321.10760	3.0
335.12698	4.1
339.10977	5.4
347.12891	1.8
357.11792	3.0
365.13712	4.4
395.14908	2.1
448.15097	6.4
483.16962	2.0
501.18774	4.4
519.19769	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	518.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.2
56.05030	0.4
57.03434	0.2
57.07087	0.1
58.06308	0.1
58.06627	0.5
59.07368	0.1
60.08159	6.5
65.03917	0.1
67.05498	0.6
70.06579	0.2
70.91104	0.1
70.91453	0.2
71.07369	3.1
78.80409	0.1
79.05478	0.3
80.97438	0.1
81.07048	0.5
86.09699	31.5
87.10035	0.2
91.05453	0.2
93.07011	0.4
95.08630	0.4
97.01144	0.1
98.98458	3.4
104.10738	2.9
105.07072	0.1
107.08585	0.2
117.07006	0.1
121.10152	0.1
124.99992	21.4
131.08566	0.1
143.01053	0.2
184.07326	100.0
185.07681	0.6
258.11014	0.2
335.25705	0.1
391.99649	0.1
447.60410	0.1
500.31381	0.9
518.32440	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	519.1707
Annotation	4'-O-beta-D-glucopyranosylgentiopicroside
Peak:m/z	Relative Intensity
53.03946	4.7
55.01885	3.4
57.02368	1.8
63.63317	2.1
69.03432	10.5
71.01355	2.4
71.04996	2.3
73.02911	2.0
79.05491	8.1
81.03428	9.8
81.07038	4.0
81.18705	1.9
85.02903	13.2
86.59355	2.0
91.05487	7.3
93.07037	9.6
95.04964	66.4
97.02905	23.0
99.04460	6.9
103.05477	8.4
105.07030	3.3
107.04952	99.0
109.02877	97.2
109.06512	2.8
121.06506	22.9
123.04436	17.7
125.02351	33.9
125.05997	4.7
127.03896	11.7
131.04947	7.3
133.02870	2.6
133.06479	2.6
135.04405	4.3
137.06038	4.4
145.04971	4.9
147.04433	2.3
149.05980	38.3
151.03897	98.9
153.05476	11.3
159.04410	6.0
163.03917	2.2
167.05571	4.7
177.05467	100.0
195.06522	56.2
213.07613	7.5
213.25241	1.9
220.62941	1.9
252.50127	2.1
269.06442	4.7
295.08255	5.4
299.06244	5.0
321.09641	2.5
339.10733	46.3
357.11838	9.0
364.96524	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	519.1706
Annotation	4'-O-beta-D-glucopyranosylgentiopicroside
Peak:m/z	Relative Intensity
53.03936	4.1
56.87421	1.4
67.05505	2.3
69.03423	5.7
69.25124	7.5
69.25552	7.5
79.05489	6.5
81.03427	7.6
81.07037	3.1
85.02903	10.9
91.05471	3.5
93.07040	3.1
95.04966	71.5
95.05574	3.5
97.02886	11.2
103.05462	7.2
105.04527	2.3
107.04955	44.8
109.02870	27.7
109.06500	4.4
121.06506	11.0
123.04420	15.3
125.02345	30.2
125.05964	2.8
127.03892	7.8
131.04930	3.3
133.02838	2.8
135.04387	6.6
149.05986	18.4
150.04982	1.5
151.03903	100.0
152.02843	1.4
153.05461	9.8
159.04364	2.2
177.04062	3.0
177.05478	31.9
195.06541	46.1
213.07509	2.8
222.48724	1.7
321.09506	2.3
339.10757	3.7
386.52039	1.8
424.34827	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	518.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.3
55.01860	2.5
57.03426	2.7
60.04520	1.3
61.02922	3.7
69.03432	7.2
70.86111	2.3
72.08139	1.2
73.02898	1.3
81.03403	3.9
81.76126	0.9
85.02902	32.2
91.03954	1.7
95.04990	1.2
97.02900	11.7
99.04444	2.8
107.04950	1.5
109.02854	3.5
117.03387	1.4
123.04430	2.7
124.76134	1.0
127.03907	8.6
131.04898	1.5
135.04395	3.0
145.02876	1.0
145.04951	6.9
147.04401	11.5
149.02328	3.9
149.05962	2.0
151.03914	2.4
161.05951	1.6
163.03889	24.0
164.04254	6.2
165.05435	1.7
171.04291	0.9
175.03912	2.0
177.01868	5.9
177.05428	2.8
180.08708	1.9
187.03893	2.7
189.05408	1.8
191.03352	1.3
195.02924	0.9
203.03386	100.0
205.04927	5.1
215.03355	7.6
219.02812	1.4
229.04927	2.6
231.02843	13.4
233.04430	6.0
241.05093	0.9
259.06104	1.1
261.03952	10.9
279.04962	20.9
291.04996	28.2
299.06128	0.9
303.05045	1.7
321.06027	9.4
339.07108	34.6
356.09735	3.6
518.15076	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23094	0.2
55.05500	0.7
56.05032	1.4
57.03422	0.3
58.06567	1.1
59.07380	0.4
60.08161	15.0
64.93924	0.2
65.93333	0.2
67.05505	2.4
69.07062	0.4
69.78375	1.0
70.06531	0.2
71.07368	6.1
72.45842	0.2
79.05490	1.4
81.07056	1.7
84.20412	0.2
84.46500	0.2
86.09701	49.1
87.10022	0.5
88.23541	0.2
91.05472	0.8
93.07043	1.3
95.08601	1.1
95.26894	0.2
98.97868	0.4
98.98466	4.4
104.10736	80.9
105.07018	0.5
105.11074	0.9
107.08576	0.5
119.08592	0.4
121.10110	0.2
124.99995	28.5
143.01042	0.4
163.01572	0.6
184.07327	100.0
185.07697	1.1
258.11014	0.7
259.04944	0.2
271.91409	0.2
335.25812	0.4
343.07428	0.2
362.96448	0.2
441.24026	0.3
500.31357	6.6
501.31528	0.5
518.32404	18.8
519.33002	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	8.6
55.01865	11.8
55.05508	44.9
57.03428	9.4
67.05507	72.7
68.05109	5.5
69.03433	9.7
69.07069	29.6
71.04971	7.7
79.05490	53.2
81.03401	26.5
81.03825	6.3
81.07047	67.3
83.04968	9.1
83.08590	26.3
85.06540	6.2
86.09700	19.8
91.05481	49.0
93.07040	54.8
95.04958	25.3
95.08602	45.6
97.10156	25.6
99.91505	5.7
105.07026	49.0
107.04933	15.9
107.08588	38.5
109.06496	11.4
109.10149	31.2
111.08092	7.1
112.18636	6.2
115.05480	5.3
117.07036	28.8
119.08598	41.5
121.06528	13.4
121.10123	25.3
123.08051	7.2
123.11688	7.3
124.99986	13.0
125.09635	18.7
129.06955	15.6
131.08563	41.3
133.06453	6.5
133.10092	33.6
135.08054	12.8
135.11673	22.2
141.06956	7.6
143.08556	17.9
145.10127	35.1
147.08002	7.7
147.11659	28.0
149.09613	16.6
149.13277	11.3
155.08603	9.2
157.10124	14.5
159.11694	19.2
161.09662	6.8
165.05493	12.6
167.08556	6.5
169.10222	9.5
171.11691	13.8
173.13205	8.7
176.36763	7.0
181.10162	8.1
183.11688	11.5
184.07327	74.3
187.14838	9.7
189.11267	10.1
193.12248	11.6
195.11673	8.8
197.13293	5.6
199.18027	6.4
209.13396	6.1
215.17976	13.5
227.12769	12.4
233.18994	19.5
255.21083	6.3
267.15961	21.4
271.20422	8.2
273.22046	12.5
275.19885	7.7
307.22650	12.8
389.28448	10.0
402.27313	6.1
407.29391	21.6
425.30426	24.7
437.56909	6.8
443.31378	17.2
499.34436	59.8
517.35419	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44149	3.9
53.03935	8.6
55.01878	5.7
55.05514	30.8
67.05504	45.4
68.69158	3.3
69.07063	17.1
70.76279	3.9
70.76617	8.8
79.05492	49.5
81.03411	15.3
81.07050	40.5
83.04984	8.7
83.08616	28.6
85.06535	3.7
91.05481	50.4
93.07035	49.7
95.04970	45.3
95.08593	28.8
97.06537	7.4
97.10161	8.2
103.80613	3.3
105.07020	39.4
107.04958	13.9
107.08595	25.0
109.06528	6.7
109.10166	9.3
117.07012	14.8
119.08588	37.2
121.06496	5.8
121.10159	12.4
123.08069	7.7
125.09625	5.5
129.07001	8.8
131.08595	17.9
133.10136	27.2
135.08070	6.4
135.11702	11.8
143.08557	7.9
145.10130	23.7
147.11687	25.0
149.09595	22.1
157.10031	5.7
159.11700	13.3
161.09564	4.6
161.13286	7.1
163.11206	23.8
165.12727	6.1
171.11685	13.0
173.13300	4.0
183.40108	3.6
189.12772	4.9
207.13828	16.2
215.17929	4.0
223.13275	22.9
239.17934	9.9
247.20522	4.6
252.42674	4.4
257.18967	13.6
275.20062	100.0
293.21127	38.1
517.37799	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	517.3524
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08650	1.0
51.02376	1.0
53.03946	6.7
53.24675	1.0
54.44875	0.8
55.01861	4.2
55.05509	27.3
57.03437	10.5
57.07060	1.9
59.04994	1.4
61.38069	0.9
62.38685	1.0
65.03927	3.2
67.05501	51.4
68.62538	1.0
69.03413	3.7
69.04547	0.9
69.07068	11.2
70.18660	0.9
71.04988	5.3
77.03899	2.4
79.05490	76.2
81.03416	45.6
81.07052	49.1
83.04974	9.6
83.08617	25.6
83.71927	1.2
85.02897	22.2
85.06561	1.9
91.04901	2.2
91.05478	49.4
93.07039	67.1
95.04962	24.0
95.05560	1.4
95.08601	25.1
97.02854	2.8
97.06516	6.5
97.10154	8.1
99.08098	5.0
105.04514	1.8
105.07027	31.7
107.04934	6.2
107.08584	18.1
107.65080	1.0
109.06510	5.2
109.10143	12.7
111.04466	1.6
111.08080	9.9
113.00003	1.4
113.06003	2.7
113.09635	1.0
115.05424	2.3
116.06202	1.0
117.07011	10.5
119.08575	25.2
121.06518	1.6
121.10136	43.0
123.08067	4.5
123.11716	4.2
125.09627	6.2
128.06126	1.0
129.05508	1.5
129.06998	10.8
131.08568	16.2
133.06445	2.7
133.10123	17.7
135.08040	1.4
135.11673	10.2
137.09648	1.6
141.06955	1.7
142.07825	2.4
143.08560	5.2
145.10126	12.8
147.08038	2.7
147.11691	16.5
149.09621	6.7
149.13249	3.2
151.11136	1.4
155.08545	2.9
157.10112	12.2
159.11682	8.5
160.17340	1.2
161.09755	1.1
161.13275	3.3
161.35828	1.0
163.11101	1.2
165.12775	1.7
169.10193	4.0
171.11710	4.5
173.13231	7.3
175.11183	12.6
177.12738	1.8
181.10049	1.1
183.11667	3.4
185.13284	3.3
187.14868	2.3
189.11230	3.2
191.56425	1.2
193.12236	46.3
197.13316	3.8
199.14861	1.5
201.12724	1.1
209.13295	1.2
211.13277	46.9
212.13611	1.2
215.17915	6.9
221.13269	1.2
227.12814	2.2
227.17815	1.4
229.14143	1.1
231.17415	1.1
233.15407	1.3
233.19009	3.8
237.16357	1.3
239.17944	2.8
257.19000	2.8
267.15933	6.3
271.20450	1.1
273.22028	3.3
275.20111	2.6
285.17004	3.0
307.22693	3.4
331.22931	1.2
389.28433	2.0
397.30695	1.3
407.29388	7.8
425.30475	4.7
443.31680	2.3
481.33221	2.2
499.34247	16.7
517.35242	100.0
518.35492	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	517.3524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	7.2
55.01866	6.4
55.05268	2.7
55.05510	28.3
56.39853	1.7
57.03442	12.4
57.07053	3.3
60.08154	5.6
65.03928	3.3
67.05503	52.2
69.03413	2.8
69.07063	15.4
71.04984	7.5
71.12027	4.1
79.05493	79.2
81.03415	41.0
81.07049	58.2
83.04971	13.0
83.08614	26.1
85.02904	24.6
85.06547	3.9
86.09695	15.6
91.04635	2.2
91.05478	54.1
93.07042	78.3
95.04960	25.8
95.08603	27.6
97.02914	2.1
97.06514	7.6
97.10158	7.2
99.08066	4.3
104.10744	20.8
105.04507	2.9
105.07028	37.3
106.20282	1.8
107.04973	3.6
107.08587	26.3
109.06480	9.1
109.10152	13.6
111.08082	9.5
113.00012	22.5
117.07009	12.5
119.08582	28.7
121.06512	4.9
121.10141	47.1
123.08066	9.5
123.11700	5.2
124.99999	10.9
125.09620	8.4
129.07018	9.9
131.08578	21.5
133.06477	1.9
133.10130	23.3
135.08070	5.2
135.11687	10.3
137.09608	3.7
141.07095	1.8
142.07799	3.4
143.08606	4.1
145.10115	17.9
147.08054	5.1
147.11682	19.4
149.09636	8.1
149.13240	4.0
152.34383	2.1
155.08545	3.3
157.10135	15.0
159.11655	12.5
161.13295	4.4
163.03932	2.6
163.11205	3.2
165.12747	3.0
165.78383	1.8
169.10133	3.6
171.11687	5.1
173.13289	6.8
175.11148	10.3
175.14799	4.2
179.14346	10.2
182.26488	1.9
183.11708	3.8
183.82552	2.0
184.07327	42.9
185.13229	4.2
187.03693	5.8
187.14859	4.6
189.11224	4.6
191.14201	1.9
193.12227	45.9
195.11711	3.0
201.12758	2.4
209.32301	2.3
211.13275	41.3
215.17973	4.4
227.12848	3.0
233.18994	2.2
257.19101	2.2
259.16830	2.0
267.15970	5.6
273.22131	4.5
289.21631	4.3
307.22952	3.5
331.22711	3.6
331.26187	9.2
332.26740	2.8
405.29922	19.7
407.29510	7.7
425.30423	6.7
443.31393	4.1
455.30533	2.2
499.34293	21.5
516.81415	1.9
517.35284	100.0
518.33020	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.1
55.05515	33.5
57.03432	15.1
57.07076	6.2
67.05503	91.9
68.05850	3.9
69.03420	5.5
69.07079	33.7
71.05000	6.0
71.07828	3.7
71.52895	3.4
79.05489	100.0
81.03421	46.5
81.06602	5.3
81.07054	86.5
83.04971	9.2
83.08617	26.4
85.02904	18.2
91.05478	57.7
92.34296	4.1
93.07037	94.6
95.04958	32.0
95.08604	74.9
97.06536	12.7
97.10172	8.6
103.05421	5.5
105.07025	55.4
107.04952	6.6
107.08588	39.5
109.06522	10.6
109.10152	28.4
111.08051	5.7
113.09597	5.9
115.05431	4.6
117.07012	21.5
119.08579	33.4
121.10123	47.1
123.08086	9.1
123.11706	18.2
129.07002	9.0
131.08574	28.4
133.06494	10.9
133.10109	25.5
133.89572	4.0
135.11707	23.7
137.06012	8.0
137.09625	5.2
141.06932	3.8
143.06998	6.1
143.08562	14.7
145.10115	22.1
147.08052	7.7
147.11688	17.7
149.09641	7.3
149.13275	9.8
151.07529	8.6
157.10126	5.2
159.11684	16.2
161.13245	6.2
163.07565	9.1
163.14844	6.4
165.09119	13.5
165.12823	4.2
171.11702	8.6
173.13263	16.5
175.07545	6.5
175.11171	11.4
175.14828	3.7
177.09152	8.6
177.12733	3.9
184.07381	3.9
185.09537	4.6
187.14879	5.9
189.09032	4.2
193.12230	25.1
199.14909	5.5
201.16443	4.3
203.10715	5.1
211.13304	27.7
211.80168	3.6
215.18100	5.1
228.13336	4.0
233.15332	4.7
239.12781	6.9
241.26448	4.7
243.20966	9.6
261.22076	23.5
273.94223	4.2
301.25397	4.9
317.24686	5.8
335.25790	56.2
407.29462	8.1
425.30371	12.5
499.34512	29.7
506.20486	4.5
513.27588	4.4
517.35120	98.1
518.35797	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	517.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39995	0.8
55.01878	1.4
55.05496	3.8
57.03439	10.2
59.04986	2.0
60.02129	2.5
61.02897	1.2
65.03918	0.9
69.03413	2.0
71.01338	3.6
71.04993	61.2
72.08160	0.8
73.02901	3.2
75.04491	5.1
79.05480	1.3
83.04989	7.0
85.02905	100.0
87.04453	3.0
91.05489	2.5
95.04955	2.4
99.04436	1.4
105.06995	0.9
107.04926	2.1
111.04435	3.6
115.05448	1.4
119.04934	1.1
121.06467	1.3
124.05222	0.9
128.06183	1.0
129.05478	17.9
129.06944	1.0
131.04921	2.1
135.08017	0.9
137.05983	3.0
141.06984	1.2
145.06493	1.0
147.04442	1.1
147.06453	1.9
151.07558	1.2
153.05498	0.8
159.08041	1.7
161.05943	1.6
163.03867	1.0
165.07005	1.8
167.07007	5.3
173.09641	2.1
175.07567	1.2
177.05438	1.2
178.07802	1.7
179.06978	1.9
181.04915	1.1
190.07732	1.1
191.07059	1.6
191.08679	1.2
194.07170	0.8
195.08096	1.2
203.08623	1.0
207.08110	2.2
208.08794	0.9
218.07234	2.4
219.08057	2.6
221.06128	1.4
221.09755	1.1
222.06810	2.1
223.07478	2.5
225.09232	1.2
232.08784	1.0
233.06033	1.2
233.09610	2.0
234.06764	2.1
234.10266	1.2
235.07492	4.4
235.11130	1.1
236.08362	2.3
237.09070	2.2
239.06973	1.6
245.09827	1.0
247.07549	2.2
248.08443	1.6
249.09053	3.9
250.06285	1.0
250.09819	2.7
251.06927	4.3
252.07813	2.8
253.08499	1.8
261.09119	3.0
262.09854	2.1
263.07037	3.8
263.10562	2.0
264.07791	5.1
264.11395	1.6
265.08557	8.2
265.12030	2.8
266.09357	2.9
267.06360	1.1
267.10120	3.0
269.08035	1.2
275.10629	1.7
277.08542	4.1
278.09293	2.5
279.06750	1.6
279.10144	3.2
280.07358	5.8
280.10391	1.0
281.07968	3.2
282.08682	1.2
289.08401	1.2
290.09525	1.2
291.06573	1.2
291.10095	2.4
292.10898	6.6
293.08035	5.2
293.11703	5.0
294.08664	1.8
295.09604	8.8
296.10318	3.5
297.07559	2.1
297.11084	1.8
303.10095	1.3
306.09000	1.7
307.09583	1.9
308.10294	1.5
309.11111	3.8
310.08398	1.9
310.11734	2.1
311.09119	0.9
311.12753	2.6
312.09863	3.9
313.10608	2.8
314.11453	1.2
320.10385	3.2
321.11356	5.4
323.09088	2.9
323.12643	1.5
324.09937	1.8
325.10651	10.2
325.14279	2.0
326.11462	3.9
327.12366	6.9
327.15759	1.5
328.13025	2.2
335.09079	1.1
335.12793	1.3
337.10565	3.2
338.11472	4.8
339.12256	23.2
339.16370	1.6
340.12717	1.5
341.13794	3.9
350.11505	1.5
351.12128	2.4
352.12860	1.1
353.09897	1.4
353.13870	16.9
355.15469	1.3
356.12405	1.2
363.12366	1.2
365.13785	3.1
367.15442	2.0
368.12466	1.2
370.14142	5.1
371.14886	63.9
372.15524	4.6
373.16147	2.6
379.15649	1.6
381.13391	2.1
383.14908	8.3
385.16406	2.5
395.14743	2.4
399.14264	2.0
413.16098	6.2
425.15836	1.4
437.15918	2.6
443.16718	1.1
463.17279	2.9
481.18481	2.3
485.17575	1.3
517.19366	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	1.2
55.05518	5.5
57.03435	11.5
59.04977	2.2
60.02136	1.7
61.02917	1.0
69.03426	1.8
70.75896	2.7
71.01334	2.5
71.04993	58.3
72.94938	1.0
73.02923	2.3
75.04469	6.4
79.05510	1.7
83.04981	5.7
85.02907	100.0
87.04479	2.2
91.05473	2.1
93.06953	1.1
95.04971	2.2
97.06524	1.1
99.04422	1.8
100.11265	1.5
103.05447	1.2
105.07046	1.8
107.04937	3.4
111.04423	4.6
115.05418	1.9
121.06559	1.3
129.05479	14.1
131.04884	2.9
135.08078	2.2
137.05992	4.1
145.06476	2.3
147.04419	2.5
147.06549	1.8
147.08112	1.2
149.05943	1.4
157.06552	1.6
158.38161	1.1
159.08037	1.5
163.03894	1.1
167.06995	5.8
173.09601	1.8
174.16409	1.3
175.07544	2.4
178.07756	1.5
179.07022	3.1
179.08485	1.8
181.04929	1.2
191.07001	1.4
207.08165	2.6
209.09642	2.2
209.84390	1.2
215.08575	1.9
218.07278	2.6
219.08018	1.8
221.05962	1.3
221.09563	1.3
222.06731	2.0
227.90588	1.2
231.07980	2.7
232.08859	2.2
233.09726	1.7
234.06937	1.2
235.07530	5.1
235.11186	2.5
236.08293	1.7
237.05376	1.4
247.07492	1.8
248.08342	2.3
249.05423	1.3
249.09058	6.2
250.06299	2.5
250.09988	2.8
251.07082	3.0
251.10660	1.7
252.07628	2.5
253.08607	1.8
261.09106	2.0
262.09927	1.7
263.06967	4.3
263.10703	2.3
264.07898	4.1
265.08636	8.0
265.12152	2.3
266.09308	2.9
267.06479	1.8
267.10184	3.2
269.08124	1.3
275.06882	1.2
275.10501	2.0
276.07968	1.8
277.08563	4.1
278.09320	2.8
279.06512	1.8
279.10147	2.9
280.07272	5.5
281.08072	5.0
281.11813	1.6
283.09808	1.6
283.22873	1.2
289.08624	1.6
291.06830	1.5
291.10098	2.8
292.07498	2.3
292.10944	5.1
293.08057	4.0
293.11655	4.5
294.08829	1.2
295.09647	7.7
295.12756	1.8
296.10413	3.9
297.07736	1.7
297.10870	1.8
305.08142	1.4
307.09729	2.9
308.10269	2.0
309.11169	2.8
310.08365	2.8
311.09225	1.5
311.12622	3.0
312.09900	3.3
313.10590	1.6
319.09473	1.4
320.10489	2.5
321.11212	5.6
323.09192	2.0
323.12781	1.6
324.09912	1.8
325.10724	10.5
325.14124	2.3
326.11307	6.5
327.12277	5.4
327.15793	2.2
333.11139	1.1
335.09027	1.3
335.12869	2.1
337.10522	2.8
338.11365	4.3
339.08389	2.2
339.12244	20.8
341.13809	3.3
351.12238	1.8
352.13080	1.2
353.13831	17.4
355.08075	1.7
355.15445	2.0
356.12250	1.3
363.12323	1.7
365.13837	3.2
367.15479	3.0
370.13992	7.0
371.14874	58.6
372.15485	4.1
373.16455	3.8
381.13040	2.7
383.14883	7.5
385.16348	1.9
393.13348	1.7
395.14789	1.7
399.14410	1.7
413.15891	6.7
419.14447	1.3
424.12653	1.3
437.16339	2.2
463.17108	2.4
481.18146	1.7
485.17902	2.0
499.17511	2.2
517.19214	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	517.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	0.6
59.43102	0.5
59.68261	0.5
61.02914	0.6
64.43506	0.5
69.03413	1.8
71.04973	0.6
71.14919	0.9
79.05491	1.1
81.03387	1.2
84.04505	0.5
84.08115	0.7
85.02900	8.3
89.03911	5.3
95.04933	0.7
97.02875	2.9
99.04494	0.6
106.66161	0.5
107.04964	1.4
109.02822	0.6
113.19364	0.5
117.03371	4.7
127.03899	1.9
135.04407	12.7
137.05888	0.5
145.02850	11.3
145.04955	1.8
151.03897	1.1
163.03896	100.0
164.04219	0.6
179.03452	0.7
238.10797	0.7
252.06918	0.9
280.06409	1.7
324.40161	0.5
338.12280	0.6
433.94257	0.5
449.36902	0.5
507.64334	0.6
517.22485	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.7
55.05503	3.0
57.03438	11.0
67.05515	2.3
69.03427	2.8
71.04604	2.1
71.04993	32.0
71.50198	2.0
72.31795	1.3
73.02906	4.4
75.04477	19.7
78.03761	1.3
78.04721	3.3
79.05491	11.8
79.63307	1.1
81.03419	2.4
81.07030	1.5
83.04972	4.0
85.02902	40.3
87.04494	2.4
91.05475	5.6
93.07032	1.5
95.04990	3.4
95.08637	1.5
99.04491	1.2
102.81315	1.2
103.05468	4.5
105.07019	6.7
107.04954	22.3
111.04441	4.3
115.05450	5.3
117.06982	2.8
118.04160	1.6
118.83200	1.2
119.08569	3.4
121.06469	2.6
123.04436	5.8
124.05189	4.9
125.05996	2.2
127.03955	1.5
128.06227	4.3
129.05501	6.9
129.06987	5.4
131.04959	6.4
132.05705	3.5
133.02882	1.5
133.06520	7.2
135.04402	1.3
135.28113	1.2
137.05951	11.0
137.09532	1.3
144.05719	1.6
145.06487	2.0
147.04387	2.7
147.08051	2.8
149.06027	2.2
151.03888	3.6
151.07510	1.7
152.04710	2.1
152.06129	1.7
153.05492	3.6
159.08025	6.5
160.05217	3.7
161.05972	12.2
161.09621	1.4
163.03964	7.0
163.07437	1.7
165.06935	1.6
167.07034	100.0
168.07402	1.5
169.06511	2.7
171.08061	1.9
173.05975	2.1
175.07545	34.5
176.04672	1.4
177.05444	1.7
181.06599	1.2
181.08537	2.0
184.05177	2.8
187.07558	16.5
189.07016	1.6
189.09161	2.1
190.07706	2.0
191.07050	11.1
191.08534	2.0
193.08591	13.6
199.07564	14.7
201.09163	4.1
203.08618	3.5
206.07326	2.1
207.07996	2.3
211.07564	1.2
215.08627	1.9
217.08554	1.7
218.07286	4.4
219.08075	3.1
221.09669	3.8
229.06512	1.8
231.08095	2.3
232.08849	2.6
233.09660	6.5
234.06534	1.6
235.07571	3.4
245.06059	1.6
246.06798	1.4
247.07603	3.1
248.08141	2.3
249.09134	4.7
251.06935	2.0
259.07642	2.6
260.08484	2.6
261.09186	7.0
263.07056	3.9
275.07007	2.5
276.08109	1.5
277.08618	3.7
278.09338	3.6
279.10040	2.6
280.10690	1.3
281.08783	1.4
281.11618	6.3
289.08597	8.0
290.09323	4.0
291.10181	2.6
293.04245	1.8
293.11713	3.1
295.09955	2.2
303.10101	2.5
305.08115	1.5
306.08841	2.7
307.09540	2.6
309.11292	6.0
321.11194	16.1
322.11908	4.5
325.10693	1.4
325.14359	3.6
326.11667	2.0
326.38184	1.4
333.11340	2.1
335.85358	1.4
341.13858	21.2
353.13864	27.9
353.18243	1.9
355.15570	2.5
363.12256	1.4
387.81403	1.3
485.16135	2.1
499.17584	3.3
517.18658	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	517.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55708	0.2
57.48806	0.2
58.10448	0.2
61.75168	0.2
63.02379	0.4
66.01299	0.2
69.03428	1.2
70.37604	0.9
76.85090	0.2
79.05475	0.4
83.04955	0.2
84.28719	0.2
85.02888	0.6
89.03913	3.3
95.04995	0.3
97.02882	0.4
107.04971	1.4
111.04462	0.2
117.03376	5.6
127.03920	0.7
135.04413	12.5
145.02849	8.8
145.04001	0.4
163.03903	100.0
163.41460	0.2
164.04309	1.0
168.13055	0.2
181.04948	0.6
189.36537	0.2
210.55095	0.2
235.37209	0.3
236.04836	0.2
257.50760	0.3
307.08124	0.6
325.09177	1.0
337.09189	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	6.3
57.03435	3.4
69.03432	8.7
71.50796	2.7
72.08168	2.4
73.02925	2.7
79.05497	4.3
81.03413	5.5
83.61986	2.1
84.96012	2.3
85.02901	14.5
85.03357	2.9
88.62387	2.2
89.03912	8.8
97.02888	11.3
98.97591	18.7
99.04428	2.5
100.80168	2.1
101.00877	3.1
106.67587	2.4
107.04942	7.3
107.26807	2.1
109.02864	4.6
110.97610	4.4
116.98647	12.1
117.03408	8.1
118.01099	5.0
119.01955	14.0
119.04945	2.6
127.03882	5.6
128.98634	5.7
131.01888	9.9
134.99637	4.9
135.04405	18.5
137.05975	35.1
138.06277	2.5
140.18616	2.6
142.01169	2.4
143.01898	12.7
145.02852	10.0
145.04829	2.3
146.99634	5.1
147.04427	8.5
149.03032	3.0
155.01872	9.2
156.02704	4.6
157.03528	5.2
158.99687	2.7
160.02182	5.1
161.01367	1.9
161.01662	1.9
161.02975	17.7
163.03896	100.0
164.04265	5.4
173.02974	13.7
174.99271	2.6
177.00708	5.6
177.03947	3.1
179.07021	5.4
181.03526	5.7
185.02856	2.8
185.06516	2.7
186.03770	5.3
195.05002	17.7
196.02229	10.8
197.02937	2.9
198.82813	2.5
199.04526	3.8
201.02477	2.9
203.04021	6.6
205.03505	2.7
211.04691	3.0
218.04202	3.5
219.01733	6.7
219.05171	23.8
221.02924	5.9
221.05096	15.6
222.03784	4.4
223.04633	5.7
231.05008	5.6
236.05267	2.7
237.02716	17.5
237.06129	22.4
240.04826	6.2
244.04283	65.1
244.06691	4.0
246.03828	4.5
247.04596	6.8
249.06161	4.6
250.06609	2.4
255.07193	3.6
259.04578	7.0
261.06158	11.6
262.05463	10.0
264.04745	12.2
265.05481	3.3
269.03229	3.0
279.07266	11.4
281.08868	3.7
297.08209	4.8
300.04886	5.7
301.04535	2.7
303.05743	2.8
307.06680	13.2
309.08340	4.5
319.04987	3.1
320.07205	3.1
321.08203	16.4
337.07574	5.6
348.06900	41.9
349.07520	7.9
355.08759	11.7
363.09213	17.2
366.07910	6.4
367.09009	3.1
381.10291	62.8
383.11627	4.8
399.11395	59.2
399.70905	3.4
400.11697	3.6
403.14453	4.4
415.08932	5.0
417.12250	9.2
433.10333	4.9
473.15424	2.5
499.12509	3.0
517.13806	39.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	9.3
55.01865	8.1
55.05510	29.1
57.03424	7.5
58.08540	2.4
59.05011	2.7
65.03923	3.6
67.05505	68.1
69.03411	4.2
69.07069	21.2
70.09377	11.3
71.04985	5.8
79.05490	100.0
81.03413	12.3
81.07054	93.7
83.04984	8.6
83.08614	18.5
85.06507	4.6
91.05476	64.2
91.12568	2.5
93.07040	97.9
95.04961	21.8
95.08609	58.1
97.02927	5.7
97.06509	12.0
97.10148	8.6
99.04446	4.0
99.08039	3.2
105.04501	5.7
105.07027	46.8
107.04955	21.2
107.08585	38.8
109.06513	20.4
109.10142	12.1
111.04437	4.8
111.08092	5.2
117.07024	21.7
119.04928	3.8
119.08569	33.7
121.06494	8.5
121.10137	38.4
123.08065	11.8
125.09608	7.4
128.06219	5.9
129.06993	25.0
130.07794	3.4
131.08565	18.2
133.10120	19.7
135.08020	6.8
135.11697	43.6
137.09618	4.2
143.08533	12.1
145.06439	3.0
145.10106	40.8
147.08022	6.9
147.11700	19.6
149.09610	9.7
150.76396	2.2
155.08556	3.8
157.06331	2.6
157.10104	5.5
159.11662	10.6
161.09625	10.5
161.13213	10.9
163.11183	60.6
165.09227	3.0
165.71712	2.6
169.10112	3.0
171.11674	29.6
173.09596	5.8
173.13257	6.1
175.11218	2.7
181.12238	11.1
185.09535	3.1
185.13322	3.3
189.11221	2.9
189.12723	22.9
191.10614	4.3
195.11647	3.0
207.13773	14.6
209.11708	3.7
215.17963	3.1
225.14667	3.0
227.12778	92.6
227.17700	2.7
233.18935	2.6
245.19002	4.5
255.17586	5.9
273.18491	26.8
291.19516	46.4
497.32666	7.7
515.33490	64.3
516.34082	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	515.3366
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.9
54.37914	2.5
55.01861	8.8
55.05509	30.6
56.10590	2.9
57.03448	12.8
57.07062	3.8
57.41806	2.5
65.03919	4.9
67.05503	74.9
69.07064	34.5
69.48331	3.1
71.04971	4.9
73.06538	2.8
79.05490	83.0
81.03413	15.5
81.06593	5.4
81.07052	67.9
83.04956	9.7
83.08587	8.2
91.05476	63.0
93.06490	5.5
93.07037	73.9
95.04958	15.1
95.08597	50.8
97.06519	16.2
97.10139	9.0
98.20717	6.2
103.05454	3.1
103.86634	2.8
105.07025	40.5
107.04945	5.3
107.08581	50.6
109.06540	6.8
109.10133	20.7
115.05432	4.1
117.07001	28.2
119.08565	32.7
121.06508	3.4
121.10133	27.9
121.78247	2.8
123.08030	3.5
123.11693	3.8
123.44575	2.4
123.55341	2.6
125.05997	3.4
125.09566	3.9
128.06187	4.0
129.07001	11.1
131.08586	29.7
133.10136	18.0
135.08044	17.9
135.11682	39.6
137.09602	5.4
141.06984	6.4
142.07736	4.9
143.07028	9.4
143.08524	15.5
145.10104	30.9
147.08011	4.4
147.11667	14.8
149.13202	6.2
153.12737	2.8
155.08551	4.9
157.10150	14.7
159.11693	21.9
161.08138	4.3
161.09642	4.1
161.13232	7.1
163.07526	4.2
163.11232	5.3
167.08578	4.4
169.10124	9.4
171.11694	12.3
173.13281	12.9
181.10138	6.1
181.12169	3.7
183.11694	8.9
185.09648	3.1
185.13261	7.5
187.11111	3.9
187.14854	7.6
191.71124	2.9
195.11646	8.4
197.13231	4.7
199.09573	3.8
199.14853	4.4
209.13223	3.7
223.14708	3.6
259.20593	6.0
261.22162	6.0
299.23679	4.6
301.21524	4.2
315.22980	3.8
321.23273	2.9
355.25931	3.3
387.26706	3.3
395.29398	4.6
405.27588	4.3
423.28329	5.8
423.33145	6.3
441.29437	3.7
497.32202	21.5
515.33765	100.0
516.33893	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	515.337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.4
55.01869	4.0
55.05516	16.7
57.03433	4.5
57.07083	1.4
59.05002	0.9
61.14821	1.0
65.03941	1.1
67.05510	21.3
69.03432	1.8
69.07072	6.6
70.54166	0.9
71.04985	2.5
71.08618	1.7
74.77574	1.1
79.05495	15.8
81.03429	7.2
81.07054	18.7
81.07481	1.8
83.04980	2.7
83.08627	8.1
83.97430	1.1
85.02915	2.0
85.06544	1.8
88.07619	1.2
91.05476	16.4
91.05949	1.4
93.07044	12.8
93.25223	0.9
95.04962	5.5
95.08616	11.3
97.06525	1.5
97.10176	8.9
98.21536	2.3
105.03434	1.1
105.07041	15.9
107.04947	3.2
107.08598	9.2
109.06510	2.6
109.10162	7.4
111.08117	1.8
115.05518	1.8
117.07024	11.0
119.08605	11.9
121.06535	3.3
121.10143	5.2
123.08102	1.6
123.11719	1.5
125.00015	1.1
125.09653	6.6
128.06256	2.3
129.07014	8.9
131.08574	13.9
133.06541	2.0
133.10135	8.7
135.08096	2.4
135.11681	2.4
137.06061	1.5
141.07011	2.9
142.07794	2.4
143.08577	7.9
145.06491	2.8
145.10120	10.6
147.08110	2.6
147.11674	6.0
149.06006	2.6
149.09651	1.8
150.06308	1.8
151.07542	1.1
155.08595	4.6
156.09322	1.2
157.06497	1.4
157.10150	10.6
159.08090	4.3
159.11682	7.7
160.56154	1.2
161.09610	2.7
161.13309	1.2
163.11197	2.1
167.08583	3.3
168.09236	1.1
169.10095	6.6
169.64529	1.0
171.08124	1.5
171.11673	8.9
173.09666	2.9
173.11882	1.2
173.13261	3.1
175.11284	1.3
177.12759	1.0
179.08669	1.2
181.10223	3.0
183.11716	5.0
184.07245	2.2
185.09688	2.6
185.13322	4.4
187.11162	3.0
187.14828	1.6
189.11273	3.3
189.12860	1.2
193.10246	1.8
193.12323	2.8
195.11757	4.7
197.13335	3.2
199.11328	2.1
199.14873	1.6
207.11821	2.2
209.13341	3.8
211.11365	1.3
211.14938	3.0
213.12831	1.8
213.16487	3.2
221.13312	1.3
223.14841	2.0
225.12979	1.5
225.16481	1.3
227.12727	1.9
227.17960	1.3
231.17480	4.1
235.14943	1.9
237.16425	2.3
251.18138	2.3
255.17477	3.9
267.16006	2.7
269.19086	2.9
271.20609	3.8
273.18704	1.8
287.20087	1.6
297.18610	1.6
305.21381	1.4
311.20419	2.2
329.21155	1.2
333.21463	1.1
342.10593	2.0
387.26544	1.8
395.29361	2.1
405.27945	9.2
423.28909	12.5
441.30042	3.3
459.31308	1.4
487.34244	3.1
497.32687	17.5
498.33502	1.5
515.33795	100.0
516.34222	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	515.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53086	5.0
55.01896	6.6
55.05505	28.7
57.03433	12.4
61.02924	9.8
65.03942	9.4
67.05503	88.4
69.03432	19.0
69.07067	25.3
70.56438	10.5
70.56807	8.6
71.04985	5.8
75.14780	4.3
79.05489	47.0
81.03414	16.9
81.07050	100.0
83.04975	7.1
83.08620	15.3
85.02902	14.4
91.05467	34.6
93.07044	62.2
95.04963	16.9
95.08607	75.8
97.02895	16.9
97.06522	8.2
99.04427	6.2
99.08104	9.2
105.07027	43.0
107.08598	39.6
109.02892	5.5
109.06524	15.0
109.10160	34.7
117.07008	16.7
119.08575	30.7
121.10143	26.1
123.08069	9.0
123.11706	16.7
128.91124	4.9
129.05421	6.0
129.07036	8.6
131.08560	33.3
133.10135	21.6
135.08061	5.1
135.11711	13.0
137.09612	6.7
143.08591	6.0
145.10110	23.3
147.08055	5.7
147.11679	14.7
149.13263	13.0
151.11125	5.1
157.10144	5.0
159.11678	20.9
161.09648	4.3
161.13269	12.3
163.14934	9.8
169.10167	4.7
171.11685	5.7
173.13264	13.6
175.14833	6.4
183.11734	4.8
184.07353	11.9
185.13315	8.3
193.12314	5.7
199.14763	5.1
243.21034	14.2
261.22147	30.6
275.93118	4.4
301.21671	10.4
335.25735	9.8
343.87473	4.3
353.26779	17.7
358.16541	5.8
358.66440	6.8
360.16284	6.5
369.24088	8.0
387.25818	5.4
405.26620	4.6
419.27780	6.7
497.31107	14.2
515.26031	11.8
515.33124	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	515.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97322	3.7
51.02375	4.3
53.03934	8.0
55.01862	7.2
55.05508	40.9
55.42117	3.7
57.03428	11.0
57.07067	5.9
61.02925	5.2
65.03928	5.3
67.05502	93.3
69.03424	7.8
69.07079	17.6
69.80060	24.7
71.04965	6.1
79.05495	69.8
80.24236	3.1
81.03412	13.8
81.07055	96.5
83.04972	5.0
83.08607	17.9
85.02904	7.3
85.06548	6.3
91.05478	50.0
93.07043	81.3
95.04967	13.1
95.08599	64.7
97.02901	8.6
97.06516	7.1
97.10172	19.7
98.21490	7.2
105.07032	39.4
107.04957	9.0
107.08591	43.1
107.45706	3.9
109.06531	8.3
109.10161	42.4
111.08068	5.5
117.07020	22.6
119.08591	31.8
121.10142	33.9
123.08054	8.3
123.11727	15.0
125.09631	10.9
129.07037	17.9
131.08562	42.2
133.10139	33.9
135.08060	6.6
135.11688	27.2
137.13214	3.6
143.08546	14.6
145.10081	28.6
147.08054	5.3
147.11725	17.7
149.13278	16.8
155.08556	8.7
157.10117	18.5
159.11702	26.9
161.09656	4.4
161.13251	12.2
163.11243	7.5
163.14845	9.0
167.08574	5.0
169.10120	8.5
171.11676	8.9
173.13235	18.7
175.11261	5.3
175.14787	8.4
177.12759	4.8
183.11580	4.6
185.13252	6.0
187.11258	4.8
187.14830	11.3
189.11285	4.1
191.14346	4.2
193.12407	3.8
197.13216	7.2
227.12741	7.9
237.16248	4.5
243.21083	17.4
248.31221	4.5
261.22144	59.5
271.20523	12.6
278.20087	3.7
303.23245	5.8
335.25644	7.0
353.26797	9.0
405.27344	7.8
423.28790	10.9
441.30298	4.6
497.32278	19.9
515.33618	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28487	4.9
55.01864	9.8
55.05519	24.1
57.03431	7.5
62.11399	4.4
64.21042	4.5
65.03929	5.6
67.05505	99.0
69.03420	17.4
69.07063	29.1
70.65478	10.6
71.04984	10.9
73.02924	5.3
73.77390	4.9
75.36330	4.3
75.80827	4.7
79.05494	72.5
81.03404	19.1
81.07054	100.0
83.04974	7.0
83.08623	12.2
85.02888	14.7
86.09699	7.1
87.38612	5.0
91.05485	44.9
93.07043	72.9
95.04964	8.9
95.08604	70.1
96.37003	4.6
97.02896	11.4
97.06543	13.8
97.10143	6.0
105.07029	45.0
107.04934	7.3
107.08589	46.0
108.57432	5.6
109.06525	10.2
109.10166	38.0
111.08043	5.2
116.89043	5.0
117.07021	22.3
119.08569	34.3
121.10143	41.1
123.11704	10.8
125.00034	6.0
125.09576	5.9
129.07007	8.2
131.08553	31.7
133.10104	26.5
135.08075	5.8
135.11685	24.6
143.08521	7.2
145.10129	28.4
147.11684	23.0
149.01183	6.2
149.13268	16.8
157.10109	9.6
159.11702	19.8
161.09570	6.8
161.13168	12.0
163.11197	6.0
163.14804	14.7
171.11751	7.8
173.13298	15.0
175.14847	10.0
177.12843	10.2
185.13243	7.5
187.14786	11.4
189.12799	6.0
243.21039	14.0
261.22128	58.5
303.23428	11.3
335.25839	9.7
345.24454	8.1
353.26840	21.0
358.16736	6.5
369.24719	5.7
387.25140	9.3
395.82538	5.2
497.31079	12.8
506.86472	5.1
515.33875	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	515.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.1
55.05511	28.5
56.87967	3.4
56.99593	2.7
57.03434	11.9
57.07080	5.3
61.02921	6.8
67.05505	97.8
69.03423	8.9
69.07062	23.0
71.51239	3.2
73.02863	2.8
77.27120	3.0
79.05072	5.2
79.05496	61.5
81.03434	9.0
81.07053	100.0
83.05001	4.2
83.08612	10.5
85.02887	7.6
87.13549	3.0
91.05481	47.3
93.07047	68.7
95.04971	13.2
95.08606	80.9
97.02892	4.1
97.06543	7.8
97.10135	5.2
103.05473	3.9
105.07018	29.4
107.08588	41.2
108.87984	3.0
109.06548	6.1
109.10159	39.2
113.11931	3.0
117.07031	19.0
119.08592	31.7
121.10133	36.6
123.11709	19.6
129.07028	4.9
131.08589	22.4
133.10123	24.5
135.08047	6.1
135.11687	33.3
137.09706	3.6
137.13225	4.3
139.11162	4.8
141.06972	3.3
143.08540	3.8
145.10124	28.0
147.11682	18.3
149.09621	7.0
149.13249	14.1
155.08578	3.6
157.10141	7.1
159.11703	19.6
161.13263	11.0
163.11177	12.4
163.14799	12.7
169.15794	2.9
171.11656	5.7
173.13242	16.8
175.14902	4.5
177.12814	4.8
187.14856	11.6
197.13303	4.0
201.16399	3.8
223.14967	3.5
227.12720	19.2
230.47794	3.4
243.21043	18.2
261.22150	66.1
279.23291	4.0
335.25632	27.6
345.24313	4.7
353.26794	10.2
369.24234	5.9
405.26627	4.8
419.27719	4.5
497.31598	10.1
515.33636	29.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81065	2.1
53.03944	3.3
55.05510	22.9
55.40168	2.2
61.02938	3.2
65.03935	2.6
67.05497	10.1
69.03433	18.0
69.07057	5.1
71.04996	2.7
71.51214	3.6
73.02922	7.2
79.05491	9.3
81.03422	5.7
81.07053	22.1
83.04976	14.5
85.02910	16.4
91.05491	12.1
93.07044	9.8
95.04971	10.1
95.08603	6.6
97.02859	4.2
97.06534	3.3
98.47256	2.7
105.07052	13.7
107.04948	17.9
107.08554	6.7
109.02901	7.2
109.06529	12.9
109.10138	3.3
116.60631	2.5
117.07014	3.5
119.04939	2.6
119.08582	27.9
121.06549	2.4
121.10155	12.3
123.04413	3.3
127.03936	6.3
129.07011	2.9
133.02864	2.4
133.10121	32.9
135.04396	4.7
137.05940	9.4
137.09599	2.6
145.10103	4.8
147.04384	2.6
147.08054	26.9
147.11697	2.4
149.05965	3.8
151.03947	2.6
151.11285	3.5
159.11722	3.7
161.06018	3.1
161.09590	11.0
161.13255	55.1
163.03889	11.7
165.05481	10.3
165.09109	7.1
166.05827	2.7
167.07123	5.0
170.10884	5.0
175.14839	18.4
177.05574	4.9
185.13275	6.0
191.14337	3.2
203.14307	100.0
209.08046	2.4
215.06920	2.7
221.15382	55.6
227.09096	5.3
259.09702	2.6
291.10059	2.5
310.68484	2.2
323.05569	4.3
383.20612	4.7
388.36227	2.5
448.96222	2.5
515.18890	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	514.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.4
59.04989	1.6
65.24333	1.2
67.05505	1.8
69.03413	3.3
71.01334	1.7
71.51107	1.4
77.03922	1.2
79.05489	6.9
81.03428	2.8
81.07064	2.9
85.02898	6.1
91.05481	4.2
93.07047	4.5
95.04968	16.6
97.02872	3.1
103.05485	3.5
105.03366	1.9
107.04957	100.0
108.08050	1.8
109.02866	8.3
109.06511	3.4
118.39465	1.1
121.06500	7.0
123.04442	4.7
124.07584	5.0
125.02333	2.7
126.09160	21.1
127.03857	1.4
131.04918	3.8
133.02861	4.2
135.04398	1.8
136.07564	2.0
137.05948	1.6
139.03880	3.4
145.93227	1.3
149.05981	8.3
151.03922	12.3
151.09906	3.9
152.10707	11.2
162.09068	1.5
163.03912	1.7
165.05479	63.2
167.07022	6.8
177.05452	11.9
180.10236	1.3
192.10274	1.1
195.06554	9.3
209.08089	14.9
227.09137	41.6
232.09659	1.6
256.13364	2.0
266.44818	1.2
276.15765	1.1
284.12875	4.4
302.13934	15.2
316.15439	1.7
320.14822	6.2
334.16458	10.0
352.17587	28.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81065	2.1
53.03944	3.3
55.05510	22.9
55.40168	2.2
61.02938	3.2
65.03935	2.6
67.05497	10.1
69.03433	18.0
69.07057	5.1
71.04996	2.7
71.51214	3.6
73.02922	7.2
79.05491	9.3
81.03422	5.7
81.07053	22.1
83.04976	14.5
85.02910	16.4
91.05491	12.1
93.07044	9.8
95.04971	10.1
95.08603	6.6
97.02859	4.2
97.06534	3.3
98.47256	2.7
105.07052	13.7
107.04948	17.9
107.08554	6.7
109.02901	7.2
109.06529	12.9
109.10138	3.3
116.60631	2.5
117.07014	3.5
119.04939	2.6
119.08582	27.9
121.06549	2.4
121.10155	12.3
123.04413	3.3
127.03936	6.3
129.07011	2.9
133.02864	2.4
133.10121	32.9
135.04396	4.7
137.05940	9.4
137.09599	2.6
145.10103	4.8
147.04384	2.6
147.08054	26.9
147.11697	2.4
149.05965	3.8
151.03947	2.6
151.11285	3.5
159.11722	3.7
161.06018	3.1
161.09590	11.0
161.13255	55.1
163.03889	11.7
165.05481	10.3
165.09109	7.1
166.05827	2.7
167.07123	5.0
170.10884	5.0
175.14839	18.4
177.05574	4.9
185.13275	6.0
191.14337	3.2
203.14307	100.0
209.08046	2.4
215.06920	2.7
221.15382	55.6
227.09096	5.3
259.09702	2.6
291.10059	2.5
310.68484	2.2
323.05569	4.3
383.20612	4.7
388.36227	2.5
448.96222	2.5
515.18890	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	514.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.0
55.01844	2.0
55.05486	1.0
59.04987	2.1
61.02903	1.7
63.93798	0.8
67.05488	1.0
69.03411	3.5
69.31255	7.9
72.56211	0.8
77.03918	1.0
79.05496	8.1
81.03388	3.8
81.07037	2.4
84.71016	0.8
85.02902	5.3
86.09688	0.9
90.47099	0.8
91.05495	5.1
93.07036	4.3
95.04969	14.3
95.08567	0.8
96.08128	1.8
97.02872	3.6
103.05456	3.7
105.03378	1.3
107.04957	100.0
108.08118	1.0
109.02884	9.0
109.06517	3.9
121.06500	7.0
123.04382	4.4
124.07571	2.9
125.02333	3.7
125.05960	1.1
126.09158	24.1
127.03954	1.3
131.04906	2.9
133.02840	2.7
135.04413	1.2
136.07584	1.2
137.05966	1.7
138.09105	1.4
139.03903	4.1
145.05083	0.9
149.05988	10.8
151.03897	15.7
151.09911	1.5
152.10701	7.2
153.05449	1.7
159.04445	1.9
162.09146	1.8
165.05479	69.5
167.07068	8.3
176.10664	1.3
177.05455	12.7
191.07033	1.0
192.10216	1.4
195.06554	9.3
206.08066	1.0
209.08073	16.1
214.12213	1.6
216.10126	1.0
216.13794	0.9
227.09143	36.1
228.13820	1.7
232.09700	1.5
256.13443	1.9
284.12753	4.7
302.13815	6.5
313.11823	2.5
316.15387	3.0
320.14960	7.3
323.12216	1.0
334.16476	7.0
352.17551	18.7
373.14093	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	514.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20313	0.8
53.03943	1.0
55.01868	1.6
55.05504	1.1
57.03418	2.3
61.02898	1.6
61.35014	0.7
66.32154	0.7
67.05485	1.6
69.03159	0.6
69.03429	7.7
70.06577	1.3
70.65527	1.9
71.04998	0.8
79.05495	2.2
81.03412	3.4
81.07038	1.5
85.02917	7.0
86.09702	1.8
87.04459	0.9
91.05481	3.7
93.07039	1.7
94.06542	4.9
95.04965	2.0
95.08591	1.5
96.08083	0.8
97.02889	4.8
97.06519	0.8
98.89060	0.8
99.04429	0.8
105.07066	3.7
106.06551	1.0
107.04964	3.7
107.08609	0.7
108.08140	1.4
109.02885	3.9
110.06051	6.1
113.06065	0.9
117.06943	0.8
119.04974	0.7
120.08132	0.9
121.06499	1.3
122.06023	2.7
122.09589	1.0
123.06847	5.1
123.07642	0.9
124.07592	5.6
126.60428	0.8
127.03890	1.7
129.06955	0.9
131.08551	1.2
132.08040	1.3
133.06479	3.2
134.05986	1.0
134.09665	3.0
135.04388	5.7
136.07585	7.9
137.05962	2.1
140.07022	1.8
143.08559	1.1
146.09639	1.5
149.05940	1.3
149.08333	1.6
150.09111	1.9
151.03886	1.4
154.08598	2.6
158.09650	0.9
160.07613	0.8
161.05975	2.5
161.09610	1.2
161.19179	0.7
162.09122	4.1
163.03957	1.8
165.05498	1.4
166.32510	0.7
167.07040	3.1
174.09169	1.6
176.07086	0.8
176.10689	2.1
177.09102	0.8
180.10205	20.2
186.09158	1.9
188.10727	1.8
190.08565	1.2
192.10153	1.1
194.11815	1.2
200.10500	1.1
202.12303	1.0
204.10199	3.5
204.13739	1.0
205.08591	1.0
206.11694	0.8
214.08875	1.2
214.12363	4.2
215.07060	3.2
216.10155	1.8
216.13838	1.2
222.11292	1.8
228.10168	1.1
228.13788	1.8
232.09717	14.1
232.13242	5.6
234.11266	3.2
234.14885	2.6
238.12299	1.7
239.10867	0.9
244.96028	1.0
246.11377	1.1
246.14851	1.3
250.10738	24.7
256.13309	4.9
258.14886	0.9
264.12338	3.4
272.12894	1.9
274.14349	4.1
282.13474	1.6
284.12796	8.0
298.07257	1.0
302.13858	22.4
316.15411	2.0
320.14914	42.6
321.15128	1.9
323.12500	0.9
334.16431	13.9
352.17542	100.0
353.17746	2.4
444.00443	1.6
482.19629	1.0
496.21460	1.1
514.22797	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	514.228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.2
55.01866	1.3
55.05491	0.5
59.04982	1.2
67.05488	1.1
69.03420	1.6
69.07080	0.6
69.72556	3.3
71.01353	1.2
71.05000	0.9
73.02919	0.5
77.03933	0.6
79.05489	7.6
81.03420	2.0
81.07040	1.5
85.02904	3.5
90.96653	0.5
91.05475	3.3
93.07040	3.6
95.04375	1.0
95.04961	13.9
96.08120	0.9
97.02883	2.9
103.03959	0.6
103.05478	2.8
105.03394	0.9
105.04524	0.9
107.04948	100.0
108.05259	0.7
109.02866	9.1
109.06530	3.7
121.06488	6.1
122.09621	0.7
123.04429	4.1
124.07567	1.6
125.02348	3.6
125.05999	0.6
126.08216	0.7
126.09146	13.3
127.03881	0.8
131.04898	2.6
133.02809	3.6
135.04417	2.0
136.07568	0.8
137.05963	1.5
139.03889	4.2
139.07471	0.6
149.05974	7.7
151.03891	13.2
151.09995	0.7
152.10709	1.3
153.05489	1.2
159.04404	1.1
162.09138	1.4
165.05464	62.9
166.05853	1.0
167.07022	6.5
176.10756	1.4
177.05450	10.7
188.10808	0.7
192.10228	0.8
195.06506	9.5
196.09663	0.6
209.08073	14.2
214.12260	1.3
227.09126	38.3
228.09515	0.6
232.09766	1.2
236.22078	0.5
256.13434	0.6
264.12167	0.5
265.01785	0.5
284.12817	2.6
302.13895	2.9
316.15442	0.7
320.14865	4.4
323.12341	1.0
334.16528	4.3
352.17520	10.6
409.85172	0.5
432.02902	0.5
482.19763	0.6
514.19342	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16750	0.5
53.03941	1.2
55.01862	1.0
55.05494	0.5
55.93868	0.4
59.04987	1.3
61.02930	0.6
67.05504	1.4
69.03419	1.5
69.44814	4.0
70.59495	0.5
71.01339	1.4
77.03933	0.8
79.05483	7.1
81.03424	2.5
81.07053	1.9
81.09908	0.4
83.08618	0.5
85.02898	3.4
90.27027	0.5
91.05477	4.4
93.07044	4.9
95.04378	0.9
95.04963	14.2
96.08158	0.6
97.02888	3.0
98.20852	1.1
103.03964	0.7
103.05472	3.1
105.03390	1.3
105.04514	0.8
107.04951	100.0
108.05279	1.0
108.08101	0.5
109.02869	8.2
109.06535	3.4
116.07187	0.5
120.08117	0.4
121.06505	5.8
123.04427	3.3
124.07576	2.7
125.02342	3.5
125.05995	1.4
125.08369	0.8
126.09150	14.2
127.03902	0.6
131.04968	2.7
133.02849	3.5
135.04413	2.0
136.07553	0.6
137.05989	2.0
139.03893	4.2
141.05463	0.6
149.05974	8.8
151.03896	15.4
151.10002	0.6
152.10674	2.5
153.05412	1.0
159.04428	2.3
162.09171	1.9
163.03856	0.7
163.07552	0.5
165.05470	59.6
166.05870	1.0
167.07022	7.8
176.10736	0.7
177.05457	11.9
178.05800	0.7
178.08688	0.7
186.09143	1.0
191.07108	0.9
195.06531	7.9
196.09761	0.7
204.10254	0.6
209.08081	12.4
214.12282	1.1
216.10378	0.6
227.09128	32.0
228.09416	1.0
228.13773	0.8
232.09737	1.1
250.10825	1.2
256.13409	0.6
284.12866	1.5
302.13889	3.0
316.15622	0.6
320.14899	7.6
321.18188	0.9
334.16541	3.6
352.17603	7.9
514.25940	2.3
515.19196	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.8
55.01854	1.2
57.03437	2.2
61.02906	1.0
65.03952	1.0
69.03442	6.4
71.04987	1.0
71.51215	1.3
73.02927	1.3
78.04043	1.1
79.05503	2.5
81.03425	5.5
81.07060	1.8
85.02902	15.5
86.28817	1.0
87.04464	1.6
91.05476	4.2
93.07041	2.1
95.04967	1.5
97.02899	5.9
103.05477	7.6
104.06288	1.8
104.07101	3.0
105.03417	1.2
105.07045	5.4
106.06552	1.7
107.04967	2.4
109.02869	1.7
114.03021	3.2
121.06481	2.0
127.03879	2.7
131.04926	37.7
132.05678	2.1
133.06494	9.1
134.06033	3.4
135.04512	1.1
137.05917	1.3
139.03906	2.3
140.07045	1.3
142.02467	8.8
144.04095	3.0
145.02870	1.3
145.04976	2.2
146.05960	1.7
147.04390	1.4
149.05997	2.3
151.07567	1.8
159.03064	2.2
159.04411	44.3
160.05147	2.1
160.07523	1.4
161.05956	10.1
162.05501	7.3
165.05522	1.2
169.47787	0.9
177.05460	8.1
178.04964	1.4
179.07022	1.9
185.07141	1.2
186.05470	2.3
188.07034	1.6
189.05481	11.7
191.07025	16.6
192.07861	1.6
193.08554	2.4
196.09500	1.1
198.05617	1.2
204.06432	1.3
206.07971	1.0
207.04042	1.2
214.04921	1.7
215.04619	1.2
216.06616	2.4
224.06686	2.5
231.60736	1.1
232.07222	11.8
236.09134	1.7
256.07245	1.8
274.08255	3.6
276.12277	1.1
284.06647	2.3
285.05276	1.5
302.07715	32.2
320.08698	10.9
334.10333	100.0
335.10315	1.2
352.11374	72.1
353.11716	2.2
511.99969	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1315
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85426	1.5
57.03426	2.1
69.03424	8.6
71.07451	3.6
73.39992	1.5
80.22471	1.4
81.03420	3.5
82.99849	2.3
85.02895	19.5
97.02885	6.2
101.00863	10.6
103.02447	6.0
109.02911	2.2
113.00873	3.1
115.02447	4.7
119.01914	25.6
121.01640	2.4
121.03461	2.8
127.02409	4.4
127.03893	8.0
129.00343	1.7
129.03979	3.5
131.01910	13.2
133.01674	2.0
133.03448	15.1
135.05032	1.7
137.02943	3.6
141.03967	2.1
143.01891	25.7
145.01709	2.8
145.03467	29.2
145.04955	7.8
147.01396	5.4
147.05034	6.3
149.02977	2.7
151.04498	2.8
154.04764	2.3
155.01880	19.9
157.01663	1.8
157.02148	1.6
157.03464	15.6
159.05055	8.4
161.02959	36.8
161.04446	1.9
162.03084	1.6
163.02773	3.5
163.04503	4.5
167.01857	10.6
169.03499	5.6
170.05182	2.5
171.01405	9.3
171.02881	1.3
171.03679	1.4
171.05029	10.2
173.02951	29.7
173.06529	1.7
175.02783	2.1
175.04555	5.6
177.06064	7.7
179.01942	5.9
179.05615	2.3
181.03453	3.4
183.01407	2.7
183.05072	4.3
184.04666	1.8
185.02948	45.2
187.02896	3.0
187.04530	12.3
189.00775	2.8
189.02472	21.9
189.06111	4.3
191.03970	2.2
195.07133	4.5
197.02951	20.2
197.06483	2.0
199.04501	4.5
201.02431	3.7
201.04401	1.9
201.06117	5.3
203.03961	13.3
205.05605	2.1
207.03539	7.8
209.02979	3.2
211.04570	2.6
213.02477	5.4
213.06108	2.5
215.03999	10.8
219.07111	18.3
221.05031	15.4
225.02359	2.1
225.06050	2.5
227.03979	8.6
231.03500	63.2
231.07053	24.3
233.08720	4.9
237.06253	3.4
243.03529	10.8
245.05075	100.0
246.05389	5.0
247.04584	3.3
247.06882	2.6
249.04463	13.6
251.07932	2.5
251.57944	2.0
255.03638	2.5
255.07126	7.5
257.05069	6.9
259.06677	1.9
260.08405	3.1
260.58530	3.3
261.04620	12.5
261.08328	3.1
263.06241	10.3
272.06412	2.4
273.04651	2.2
273.08206	5.6
275.06079	11.9
276.91653	1.5
291.05695	11.3
293.07217	4.5
305.07208	9.4
307.08801	2.4
315.05679	1.8
321.10309	88.7
322.10513	2.4
333.06668	18.0
335.08209	4.8
337.09753	2.0
339.10474	3.4
351.07562	5.9
351.11505	2.6
365.09424	7.4
437.16766	1.6
477.10629	2.1
495.11996	13.4
513.12823	59.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	3.7
55.05505	11.3
56.96547	3.1
57.03418	6.2
57.07076	3.0
61.02929	15.5
67.05502	32.1
69.03416	5.0
69.07069	17.1
69.87914	10.8
69.88323	6.8
71.04987	3.0
73.02914	6.5
79.05492	34.1
81.03416	8.3
81.07052	38.7
83.04992	3.6
83.08622	9.1
85.02898	12.5
86.09689	4.0
91.03967	6.4
91.05471	31.7
93.07036	49.5
95.04990	6.6
95.08603	27.2
97.02890	8.7
97.06534	6.8
105.07027	33.2
107.08591	26.3
109.06561	4.3
109.10157	8.5
117.07023	13.1
119.08571	33.0
121.10136	23.0
127.03875	3.5
129.06995	4.5
130.07562	3.0
131.08572	17.2
133.10136	23.2
135.11705	23.1
143.08562	10.2
145.10123	23.2
147.08017	3.8
147.11688	26.6
149.13298	14.3
155.08592	4.2
157.10126	8.8
159.11717	12.2
161.09593	3.3
161.13298	19.6
163.03894	13.7
163.14859	4.1
169.10132	3.3
171.11673	9.4
173.13277	8.3
175.14861	8.2
179.14232	3.8
181.10165	3.5
185.13300	4.7
187.14796	4.1
199.14876	4.2
241.19591	14.7
259.20590	47.4
261.30673	3.1
277.21649	12.1
333.24216	8.5
349.23969	5.7
351.12952	5.0
351.25272	100.0
352.25473	5.1
363.14713	6.2
381.15836	8.2
429.08008	3.0
441.26080	7.4
449.02466	3.1
495.29117	7.2
513.31750	12.9
513.50891	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1315
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85426	1.5
57.03426	2.1
69.03424	8.6
71.07451	3.6
73.39992	1.5
80.22471	1.4
81.03420	3.5
82.99849	2.3
85.02895	19.5
97.02885	6.2
101.00863	10.6
103.02447	6.0
109.02911	2.2
113.00873	3.1
115.02447	4.7
119.01914	25.6
121.01640	2.4
121.03461	2.8
127.02409	4.4
127.03893	8.0
129.00343	1.7
129.03979	3.5
131.01910	13.2
133.01674	2.0
133.03448	15.1
135.05032	1.7
137.02943	3.6
141.03967	2.1
143.01891	25.7
145.01709	2.8
145.03467	29.2
145.04955	7.8
147.01396	5.4
147.05034	6.3
149.02977	2.7
151.04498	2.8
154.04764	2.3
155.01880	19.9
157.01663	1.8
157.02148	1.6
157.03464	15.6
159.05055	8.4
161.02959	36.8
161.04446	1.9
162.03084	1.6
163.02773	3.5
163.04503	4.5
167.01857	10.6
169.03499	5.6
170.05182	2.5
171.01405	9.3
171.02881	1.3
171.03679	1.4
171.05029	10.2
173.02951	29.7
173.06529	1.7
175.02783	2.1
175.04555	5.6
177.06064	7.7
179.01942	5.9
179.05615	2.3
181.03453	3.4
183.01407	2.7
183.05072	4.3
184.04666	1.8
185.02948	45.2
187.02896	3.0
187.04530	12.3
189.00775	2.8
189.02472	21.9
189.06111	4.3
191.03970	2.2
195.07133	4.5
197.02951	20.2
197.06483	2.0
199.04501	4.5
201.02431	3.7
201.04401	1.9
201.06117	5.3
203.03961	13.3
205.05605	2.1
207.03539	7.8
209.02979	3.2
211.04570	2.6
213.02477	5.4
213.06108	2.5
215.03999	10.8
219.07111	18.3
221.05031	15.4
225.02359	2.1
225.06050	2.5
227.03979	8.6
231.03500	63.2
231.07053	24.3
233.08720	4.9
237.06253	3.4
243.03529	10.8
245.05075	100.0
246.05389	5.0
247.04584	3.3
247.06882	2.6
249.04463	13.6
251.07932	2.5
251.57944	2.0
255.03638	2.5
255.07126	7.5
257.05069	6.9
259.06677	1.9
260.08405	3.1
260.58530	3.3
261.04620	12.5
261.08328	3.1
263.06241	10.3
272.06412	2.4
273.04651	2.2
273.08206	5.6
275.06079	11.9
276.91653	1.5
291.05695	11.3
293.07217	4.5
305.07208	9.4
307.08801	2.4
315.05679	1.8
321.10309	88.7
322.10513	2.4
333.06668	18.0
335.08209	4.8
337.09753	2.0
339.10474	3.4
351.07562	5.9
351.11505	2.6
365.09424	7.4
437.16766	1.6
477.10629	2.1
495.11996	13.4
513.12823	59.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15715	6.3
53.48599	6.0
55.01848	6.6
55.05489	13.5
55.44982	5.0
57.07074	72.8
67.05499	29.7
69.03431	9.0
69.07061	20.1
71.08631	63.2
73.47506	4.9
77.96999	5.9
79.05480	7.2
81.03407	6.1
81.07051	38.9
83.08605	27.8
85.02877	10.0
85.10179	30.2
89.10282	6.1
95.08598	49.7
97.02869	13.2
97.10160	23.4
104.10735	8.3
106.78283	5.3
109.10152	23.7
123.11675	13.3
127.03891	14.8
145.04912	13.7
151.14714	6.8
184.07338	6.7
239.23718	74.9
287.48782	5.5
313.27374	100.0
315.18851	5.4
331.28387	15.3
359.38763	7.1
383.27914	21.3
401.28961	47.8
487.72473	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	512.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.4
55.01864	4.0
55.05507	3.6
57.03438	6.2
61.02922	10.9
67.05496	6.7
69.03428	18.4
69.07066	5.2
69.91711	8.1
70.06606	2.6
71.04994	4.8
73.02939	2.5
73.40833	1.7
79.05495	14.6
81.03417	7.2
81.07059	9.3
83.04980	2.7
85.02910	100.0
89.62748	1.8
91.03974	4.8
91.05481	16.5
93.07047	67.1
95.04982	4.6
95.08611	13.9
97.02895	27.3
97.06513	5.7
99.04463	4.8
105.07022	4.7
107.08601	83.2
109.02882	10.4
109.06536	2.8
109.10157	6.1
111.04465	3.0
119.08585	1.9
121.10188	1.9
121.21347	1.6
123.47067	1.8
127.03924	27.2
135.11693	61.4
137.05972	3.4
137.09634	2.6
145.04965	40.5
145.06038	3.2
147.11653	2.4
151.03978	2.3
152.10727	2.9
153.12758	14.5
163.06036	16.8
165.05450	3.6
165.12764	2.7
166.30380	2.0
183.13857	2.1
196.09772	3.5
214.79584	2.1
216.12177	1.8
274.94720	1.7
297.16989	2.7
350.19659	3.0
476.30063	1.9
512.23938	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	510.3549
Annotation	1-heptadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
54.35401	0.3
56.05038	0.9
57.03439	0.5
57.07074	3.0
58.06595	1.6
59.07374	0.4
60.08164	16.8
67.05497	1.0
69.07039	0.5
69.75565	1.2
69.75974	1.3
70.31670	0.4
71.07379	5.3
71.08623	2.4
81.07059	0.8
85.10169	1.2
86.09702	51.4
95.08604	1.2
97.10140	0.6
98.20768	0.6
98.98458	3.6
104.10738	96.1
109.10130	0.5
124.99998	27.1
143.01022	0.5
163.01575	0.7
166.02679	0.5
184.07335	100.0
185.07808	0.4
213.60944	0.4
219.93832	0.3
239.23773	0.4
247.86365	0.4
249.64738	0.4
258.10999	1.4
313.27405	1.4
327.28738	1.8
421.53751	0.4
433.26978	0.6
492.34485	9.3
510.35532	30.1
535.94788	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2825
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34298	2.4
53.03934	4.3
55.01861	6.1
55.05511	26.3
57.03428	17.6
57.07074	4.0
60.11184	2.5
62.64613	2.2
64.77474	2.1
65.03948	3.0
66.04689	2.3
67.05502	54.2
67.55351	2.4
67.58620	2.6
69.07064	21.3
71.05000	3.9
71.08627	29.7
79.05486	44.1
79.64185	2.3
81.03403	8.5
81.07053	51.8
82.06585	2.8
82.57550	2.4
83.04973	9.8
83.08607	18.2
85.06537	4.5
91.05470	29.1
93.07041	48.4
94.06571	2.8
95.04948	11.7
95.08604	28.7
97.06519	7.2
97.10149	10.3
98.98486	6.1
99.08085	23.5
105.07011	16.8
106.06547	2.8
107.04958	4.7
107.08579	21.2
108.08094	4.1
109.06486	3.6
109.10136	10.8
111.08079	7.2
113.09660	2.8
117.06987	7.5
119.08561	14.1
121.10107	13.6
123.08033	3.6
123.11684	3.8
125.09639	6.3
129.05450	4.4
129.07002	3.0
131.08554	9.6
133.10129	16.0
135.11662	13.8
136.59633	2.4
143.08476	3.3
145.10138	7.1
147.11699	7.1
149.13264	16.7
151.11200	15.1
159.11723	7.9
161.13246	7.8
163.11263	12.9
171.11703	3.7
173.06140	2.6
175.11150	3.5
177.12743	8.6
179.14297	7.6
195.13834	10.2
196.13411	4.6
209.11699	4.5
220.16946	7.4
227.12766	5.1
238.18073	5.3
241.19635	5.4
251.16158	4.7
259.20563	5.9
269.17453	61.2
277.21597	24.7
302.61951	2.4
333.24280	13.9
336.15594	5.1
337.14380	3.5
351.25290	100.0
369.26337	62.1
374.17136	7.4
392.18314	32.1
474.26135	6.1
492.27087	4.5
501.97855	2.7
510.18024	3.0
510.27289	5.7
511.12570	3.6
511.19272	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	510.2827
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	7.6
55.01870	7.2
55.05511	31.8
57.03438	30.6
57.07063	9.9
60.00813	3.5
65.03936	4.1
67.05143	4.6
67.05505	95.4
69.03424	4.3
69.07064	34.6
71.05062	4.3
71.08634	40.7
79.05492	64.8
80.05021	6.7
81.03424	10.0
81.07055	100.0
82.06592	5.4
83.04976	15.8
83.08622	24.8
85.06549	4.4
85.10175	3.0
87.63570	2.9
91.05480	52.7
93.07043	73.3
94.06617	3.3
95.04969	16.3
95.08605	55.0
97.06522	15.2
97.10165	6.6
98.06040	3.6
98.98463	7.6
99.08087	40.1
99.08682	3.6
104.45601	2.8
105.07032	30.6
107.04962	6.7
107.08595	35.2
108.08121	3.4
109.06492	6.1
109.10143	12.0
111.08073	9.5
113.09678	3.0
117.07034	14.9
119.08562	24.0
121.06499	3.3
121.10138	23.8
123.08056	5.2
123.11690	4.8
124.01644	5.6
125.09608	3.4
128.94334	2.6
129.05469	6.8
129.06981	6.6
131.08572	12.9
133.10097	24.2
134.42850	2.9
135.07986	3.3
135.11670	20.2
139.11183	5.6
143.08546	4.2
145.10129	16.1
147.11684	12.2
149.09598	4.5
149.13249	22.2
151.11163	30.3
157.10170	5.0
159.11630	15.3
161.13268	15.8
163.11195	19.1
163.14804	5.0
165.12798	7.2
171.11684	11.0
175.14830	4.4
177.12773	11.2
179.14322	12.7
185.13248	3.1
195.13745	10.3
196.10907	5.0
198.05157	3.6
216.06476	3.7
220.16917	15.2
231.21078	7.3
231.99097	3.2
238.18022	8.3
241.19502	15.7
243.21106	5.3
251.16420	5.8
255.15965	3.1
259.20547	11.1
269.17477	85.5
270.17786	3.8
277.21600	33.9
294.20920	2.9
296.09708	2.8
302.24634	3.3
318.14865	4.7
320.25766	8.0
333.24139	36.0
336.15732	7.4
337.14017	5.0
351.25287	98.8
351.29617	5.1
369.26367	62.6
374.17270	12.3
392.18323	41.2
399.57239	4.0
427.23257	2.9
474.26004	10.6
511.12411	5.2
532.03552	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	510.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73529	1.0
57.03433	2.1
66.62282	0.8
69.36487	7.6
73.02902	2.5
85.98535	0.8
87.24213	0.9
91.05464	3.3
94.04176	1.5
103.05458	7.3
104.10735	0.8
107.04919	0.9
115.05435	1.7
117.07000	2.5
119.04955	1.6
121.06514	1.3
122.03644	2.0
129.06964	1.7
131.04929	15.9
133.06453	1.0
137.05984	26.0
138.06320	2.4
143.08580	1.1
145.06413	1.0
149.05992	1.3
151.07538	11.8
152.07866	1.1
161.05940	3.1
162.06732	1.8
163.07547	39.8
165.09048	1.2
171.08051	1.3
175.07509	2.7
177.09106	100.0
178.09389	1.2
189.09100	3.5
195.08057	2.9
195.10175	2.7
207.10129	0.9
221.06018	1.3
221.11728	12.3
223.07468	1.2
227.10672	3.6
230.42883	1.0
241.20035	0.8
253.08640	1.2
253.12180	1.5
255.10168	2.5
285.11191	1.8
287.12881	4.1
299.12643	0.8
313.14413	3.9
331.15427	13.5
341.63309	0.9
343.15344	1.7
510.27979	1.0
511.18341	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
57.12737	2.0
64.67343	1.9
71.03353	3.0
71.03674	2.1
73.02915	10.5
79.05474	1.7
79.52518	2.0
91.05491	5.9
93.07030	3.2
103.05448	7.6
105.07035	1.9
115.03940	1.9
117.06985	2.7
121.10162	4.1
131.04930	20.4
133.06602	2.2
137.05991	29.7
138.06305	2.3
140.19263	2.1
146.76360	1.7
151.07552	16.5
157.06473	3.2
161.05997	5.0
162.06697	1.8
163.07550	41.6
167.07072	2.7
171.07994	2.0
175.07486	3.4
176.18350	1.8
177.09117	100.0
189.09145	4.0
193.06374	2.1
195.08205	3.0
195.10205	5.0
221.11754	19.1
223.07614	2.3
227.10631	4.6
253.12234	2.4
255.10011	3.1
285.11020	3.2
287.12778	4.8
311.12766	3.7
313.14395	3.9
331.15359	24.3
332.15549	2.4
343.15402	4.9
356.15488	2.2
501.62863	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	510.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.6
53.56927	1.6
55.01869	4.3
55.05484	2.9
55.66536	1.7
57.03423	2.9
59.05016	12.1
60.04508	2.5
61.02915	8.1
67.05491	7.8
67.20555	1.7
69.03429	20.7
69.07054	2.2
70.06596	2.5
71.05000	19.2
73.02914	4.2
79.05493	9.1
81.03406	7.2
81.07061	29.7
83.04958	2.2
84.04501	2.8
84.08086	1.9
85.02903	82.3
86.09712	2.5
87.04453	4.4
91.03945	5.0
91.05472	5.7
93.07043	17.0
95.04966	7.5
95.08629	8.8
97.02885	24.1
98.20741	5.3
98.32156	2.2
99.04451	4.1
100.60330	1.7
105.07022	7.3
107.04964	4.1
107.08608	16.8
109.02871	9.5
109.06520	11.1
109.10154	25.0
111.08094	8.4
115.03896	1.8
121.06463	2.6
123.04402	2.8
123.08057	6.7
123.11707	36.7
127.03910	26.1
129.07005	2.6
131.04930	2.9
133.10139	12.5
137.05972	8.0
140.07100	3.6
145.04956	30.0
146.06003	1.8
147.04381	2.3
147.08031	2.6
149.05942	2.4
151.03943	5.9
151.07558	3.0
151.11176	100.0
153.12727	2.2
159.04422	2.0
161.05948	12.1
161.09651	2.2
162.06343	5.0
163.03882	2.6
163.06050	13.9
164.07146	2.5
165.05476	2.9
166.08575	2.2
167.07037	5.5
168.07249	2.1
169.12254	34.3
175.07545	2.5
178.08540	3.0
189.09120	6.6
190.09468	3.3
196.09662	4.3
201.09087	2.4
207.10161	5.2
208.10574	4.5
209.08063	2.7
215.07104	2.0
222.11359	2.4
229.63805	1.6
229.66324	2.0
242.88622	1.9
244.09760	2.8
284.11264	8.0
286.11081	2.1
295.15515	3.8
313.16422	8.0
316.11783	6.5
325.11191	5.3
331.17569	14.3
340.70343	1.9
371.32782	1.8
510.19336	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	509.3684
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	11.6
55.05511	36.0
57.03440	5.6
57.07076	13.9
65.50726	3.6
67.05507	46.2
69.03439	6.9
69.07071	57.0
70.06595	6.9
71.04996	4.9
71.08630	9.6
71.50916	5.1
79.05500	42.0
81.03419	15.3
81.07061	100.0
83.04983	11.1
83.08612	34.4
85.02895	13.3
85.06557	7.7
88.49783	3.9
91.05496	29.4
92.09068	4.1
93.07040	45.0
95.04964	17.2
95.08607	79.7
97.02911	6.7
97.06504	8.1
97.10174	21.6
97.34019	4.5
99.04451	6.1
99.08076	6.7
105.07021	17.3
107.04960	9.2
107.08588	31.5
109.06534	8.9
109.10161	55.7
110.69259	4.3
111.04441	6.9
111.08067	8.9
111.11726	13.7
117.07037	9.4
119.08601	12.6
121.06503	7.9
121.10148	21.6
123.07995	5.2
123.11695	28.4
125.09618	9.2
125.13298	11.5
129.06973	7.3
131.08572	9.1
133.06538	7.2
133.10176	7.3
135.08064	6.8
135.11716	15.6
137.05948	21.1
137.13251	13.6
145.10167	8.3
146.06059	6.0
147.11610	3.9
149.13271	32.1
151.07556	5.5
151.14832	7.4
153.12726	5.0
155.08635	5.1
158.38419	3.9
161.06026	10.0
161.09671	6.0
163.11172	10.1
163.14827	10.1
164.07126	4.5
165.09184	4.9
165.16483	4.2
167.07016	5.0
167.14272	8.7
173.09561	4.6
189.09122	4.4
193.12267	4.9
193.19440	5.1
195.10037	5.5
209.07925	4.1
209.11736	19.0
217.97220	4.0
227.12698	8.4
229.89198	4.0
249.25922	5.3
257.04532	4.5
270.17947	5.0
275.27502	18.0
277.08813	4.1
281.28571	10.2
287.05524	7.1
293.28354	47.7
296.50360	4.1
311.29529	10.9
329.30792	6.5
350.24402	4.3
393.18961	5.4
449.24857	7.6
509.17709	11.2
509.26651	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	509.3684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.8
55.01869	2.5
55.05502	10.0
57.03429	3.3
57.07078	2.6
62.94201	2.4
67.05505	19.3
69.03426	4.1
69.07067	9.1
69.92966	12.5
70.06573	2.4
79.05495	10.9
81.03413	15.2
81.07053	23.1
83.04975	5.4
83.08630	10.9
85.02898	9.8
86.09705	5.4
89.03900	2.8
91.05484	21.0
93.07066	12.3
93.20543	2.3
95.04968	11.4
95.08587	13.0
97.06556	4.3
97.10155	4.5
99.00837	2.9
105.07030	14.1
106.06547	4.5
107.04956	7.9
107.08603	7.6
109.02896	2.7
109.06525	4.2
109.10152	10.2
111.04405	3.3
111.08075	4.0
111.11699	4.6
115.05499	3.3
117.07008	4.6
117.63742	2.2
119.04926	3.2
119.08579	7.8
121.06512	4.2
121.10136	4.6
123.04443	2.6
123.11671	4.0
129.07051	4.1
131.04933	4.4
131.06221	2.3
131.08569	5.1
133.10124	7.2
137.05978	50.9
137.09612	3.3
137.13246	2.9
145.06488	2.7
147.04428	2.7
147.07996	4.1
147.11644	2.3
149.13280	3.3
151.03871	3.6
151.07512	18.3
157.10153	4.7
161.05971	12.2
161.09584	5.5
163.07578	4.6
164.07082	5.2
165.09146	3.3
167.07051	13.3
175.07509	6.2
177.09094	2.9
179.03165	8.9
181.04953	7.6
181.06468	2.7
189.09055	6.1
193.12248	10.6
195.10239	6.0
207.06528	4.8
207.10190	4.6
209.11772	2.4
211.13365	10.7
225.11177	3.7
235.07483	2.7
237.09068	2.9
240.38242	2.1
249.07289	18.3
255.08432	9.3
255.10933	2.3
265.08630	6.7
277.10602	18.2
285.11313	2.7
293.28427	4.9
297.11142	4.8
311.12863	5.0
335.13000	3.0
337.14340	3.1
347.14740	6.2
352.09955	2.5
411.12622	100.0
412.12848	5.4
449.24664	5.0
450.22299	8.0
509.19870	61.7
509.27405	24.1
510.19522	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3684
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	12.6
55.05493	30.2
57.07064	14.1
63.28701	11.3
67.05495	68.3
69.03398	16.1
69.07052	66.1
70.12278	12.5
70.12616	46.4
71.04977	12.0
71.08636	11.1
74.55766	9.0
79.05482	53.8
81.03423	23.0
81.07066	99.4
83.04987	15.3
83.08602	30.9
85.02899	24.2
86.09705	12.7
86.62205	10.3
89.85901	11.0
91.05465	34.0
93.07040	49.8
94.44284	10.8
95.04973	26.0
95.08611	100.0
97.06509	14.3
97.10146	29.8
98.20894	15.4
105.07028	18.2
107.04922	20.5
107.08590	31.9
109.10172	66.9
117.07073	12.3
120.08105	29.9
121.10117	15.4
123.04445	15.3
123.11687	35.1
128.06305	13.6
131.08583	15.9
131.09497	13.1
133.10121	22.6
135.11636	16.3
137.05983	54.2
137.13190	11.7
138.23221	11.2
143.08611	11.6
147.08064	12.4
149.13210	26.2
149.39671	10.9
150.83215	9.6
151.03848	12.4
151.07547	20.7
151.14786	16.7
153.42630	10.3
161.05995	29.5
161.09653	12.2
164.15285	11.5
165.16367	21.7
167.06987	29.6
167.14314	15.4
193.12407	13.6
207.08090	11.5
207.10117	11.7
207.78822	11.8
209.11778	16.6
274.07199	10.5
275.27158	13.0
289.05261	46.5
293.28448	29.6
347.10107	14.7
411.12881	23.0
449.24710	13.5
509.20468	33.4
509.27173	35.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2746
Annotation	(+)-N(6)-Hydroxyaphelandrine
Peak:m/z	Relative Intensity
53.00315	5.6
53.03936	9.0
55.01867	14.7
55.05509	45.9
57.03432	13.5
57.07071	2.4
59.05002	5.5
65.03941	4.0
67.05503	48.5
69.03422	6.2
69.07077	13.7
71.01340	3.6
71.04989	10.3
71.51451	4.1
75.11823	2.1
79.05495	51.2
81.03417	75.0
81.07055	64.3
83.04978	18.0
83.08618	38.9
85.02904	37.7
85.06538	4.1
91.05482	83.1
93.07043	50.7
95.04970	35.7
95.08604	29.6
97.02889	14.2
97.06536	10.3
97.10162	9.8
99.00809	20.3
99.04449	2.9
99.08072	4.1
103.05463	3.7
105.07033	52.5
107.04955	22.0
107.08582	25.0
109.02874	10.8
109.06516	13.6
109.10162	15.8
111.04421	12.1
111.08083	18.2
113.05973	5.3
115.03918	2.9
115.05447	3.0
117.07020	6.4
119.04938	3.8
119.08577	30.7
121.02936	2.4
121.06509	14.2
121.10132	13.7
123.04417	5.2
123.08064	8.2
123.11718	7.0
125.05986	2.5
125.09622	6.4
127.03936	5.5
129.07011	9.1
131.04861	2.6
131.08574	17.4
133.06473	3.6
133.10129	57.3
135.08073	4.6
135.11705	10.9
137.05975	11.9
137.09644	7.3
139.07541	4.1
143.08575	4.5
145.06476	2.9
145.10141	8.7
147.08057	7.0
147.11690	18.6
149.09624	8.4
150.09175	18.4
151.07584	3.0
151.09474	10.6
151.11195	17.5
153.01939	2.5
157.10127	17.8
159.07983	2.3
161.06046	5.8
161.09608	26.7
163.11165	14.2
165.09189	11.3
166.09479	4.0
167.07063	5.5
171.08023	4.9
175.11179	16.5
179.10719	14.4
181.12216	3.0
189.09131	16.4
189.11153	4.6
193.12247	64.8
193.13907	4.4
197.11745	4.3
207.10161	6.5
209.11800	13.0
211.13287	74.2
219.13841	3.2
225.11267	17.3
227.12767	14.6
265.09692	2.8
267.15948	7.6
281.13748	2.7
283.15506	5.7
293.28482	3.3
296.11078	4.8
299.14905	3.9
311.29321	2.5
340.10156	2.8
368.25397	3.6
449.19342	4.0
477.18448	4.5
491.26501	7.6
509.20258	4.4
509.27454	100.0
510.27930	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	509.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60939	1.1
55.01873	2.0
62.64129	1.3
67.05499	1.5
69.75682	8.4
70.06610	1.2
73.02905	1.2
76.71062	1.1
79.05487	4.9
81.45924	1.5
85.02881	1.4
85.67640	1.1
90.69592	1.2
91.05477	16.4
93.07035	2.8
94.04175	3.4
95.04986	2.4
103.05467	4.2
105.07012	4.6
107.04964	7.4
107.08582	1.3
108.05737	1.4
109.06535	2.8
115.05452	4.1
117.06998	3.5
118.04176	1.4
119.04943	7.3
121.06512	6.6
122.03660	7.8
123.08109	2.8
125.02393	1.2
128.06215	2.0
129.06984	8.8
131.04958	7.0
131.08583	1.7
133.06458	2.5
135.04404	1.5
135.08026	4.3
136.05188	1.5
137.05980	100.0
143.04871	2.8
145.06444	5.6
146.03630	1.8
147.04344	2.0
147.08069	2.6
148.05159	2.0
149.05949	5.7
151.03920	3.3
151.07547	45.6
153.07042	1.9
157.06490	4.5
159.97250	1.5
160.05154	1.8
161.05981	46.3
161.09573	10.3
163.07526	9.2
165.05524	2.5
165.06937	3.4
165.09096	2.3
167.07025	4.9
174.06761	3.2
175.07562	20.9
177.09088	5.6
178.07555	1.3
179.07053	1.7
179.08533	2.9
181.04944	1.5
181.06532	1.5
181.08495	1.8
187.07507	2.2
189.07303	1.3
189.09093	29.5
190.07727	1.9
191.07060	1.7
191.08607	2.4
194.07294	2.4
195.08253	1.8
195.10153	20.0
197.06139	1.9
199.07590	1.8
202.07886	1.3
205.06451	3.1
206.07222	1.7
206.48784	1.4
207.08243	2.3
207.10146	21.4
211.07472	1.9
213.09087	2.5
219.08080	3.3
221.05984	2.5
222.06657	2.0
225.09108	3.8
233.06044	1.7
234.06784	3.8
235.07550	3.9
236.08205	1.8
237.09059	3.7
239.07069	2.0
239.10768	2.5
245.09534	1.7
246.06754	1.5
247.07576	2.8
249.09154	7.9
250.06264	1.5
251.06876	3.0
251.10719	3.2
252.07684	2.1
253.08627	5.5
255.06453	1.5
262.06284	1.6
264.07648	1.8
265.08521	9.6
267.10162	2.3
269.08084	2.5
270.08859	2.7
271.09741	2.0
277.08655	7.3
277.12189	1.5
278.09222	2.1
279.10150	4.4
281.08060	3.7
282.09146	1.4
283.09683	4.2
285.11200	8.3
291.10184	3.1
293.11673	2.0
294.08936	2.0
295.09692	2.3
296.10226	2.1
296.46744	1.3
297.11230	15.7
299.12863	2.2
305.11679	2.9
308.10452	2.2
309.11319	3.1
311.12717	16.0
317.14133	2.6
323.12750	7.0
325.14624	1.7
327.12280	2.4
328.12872	2.3
329.13779	2.8
337.14383	15.9
341.13837	3.2
347.07629	3.6
347.13104	1.3
349.14365	2.7
353.13782	2.3
355.15466	12.0
367.15524	6.4
459.18066	1.5
479.20694	3.8
491.20569	2.1
509.22098	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	509.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.3
67.05490	1.5
69.03425	1.6
69.45666	10.5
79.05477	3.1
80.71511	1.6
81.07056	1.5
91.05479	13.6
93.07030	2.3
94.04221	3.1
95.04964	2.8
98.20788	3.2
103.05466	4.0
105.07014	7.2
107.04948	5.5
109.06546	2.3
115.05462	4.1
117.07021	3.8
118.04107	1.6
119.04941	5.5
121.06531	5.6
122.03667	6.1
123.08064	2.5
128.06256	2.4
129.07034	8.2
131.04898	5.9
131.08556	3.7
133.06467	2.5
135.04372	1.8
135.08063	2.5
137.05975	68.8
143.04967	2.4
145.06483	3.1
146.03648	1.4
146.07259	5.3
147.04448	1.9
147.08044	2.7
148.05167	3.3
149.05975	5.1
149.09628	1.6
151.03928	2.0
151.07550	34.8
154.02034	1.3
157.06508	5.5
161.05980	100.0
161.09599	23.2
163.07535	4.6
165.07002	1.9
165.09129	3.2
167.07047	1.3
174.06789	5.5
175.07526	19.5
177.09125	5.8
181.06528	2.6
187.07597	2.7
189.09106	51.9
191.07016	2.9
194.07294	1.9
195.10184	17.5
205.06377	2.2
207.10172	71.3
209.09676	1.9
210.06897	1.6
211.07520	2.3
219.08075	2.0
221.06006	3.4
222.06738	2.7
225.08969	2.5
227.10725	2.3
233.05907	2.1
234.06929	3.1
235.07567	2.6
237.09084	5.0
245.09579	1.7
249.09116	4.7
250.06108	1.8
253.08575	3.3
255.06602	2.1
264.07785	1.7
265.08643	7.5
266.09460	2.1
267.10150	3.4
270.08719	3.1
277.08627	4.2
279.10284	1.9
283.09744	4.2
285.11401	7.3
293.07935	1.8
295.09717	2.9
296.10757	1.6
297.11267	14.8
299.12756	2.1
309.11209	4.1
311.12769	13.2
317.13885	3.1
323.12839	4.7
337.14325	8.8
349.14493	2.0
355.15408	9.9
367.15424	4.0
473.19766	1.8
479.20627	5.9
509.21625	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	508.3399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.4
56.05031	0.5
57.03442	0.2
58.06602	0.3
59.07395	0.2
60.08162	6.3
60.39658	0.1
67.05501	0.5
69.07066	0.6
70.06015	0.4
70.06595	0.1
71.07372	2.8
72.08142	0.3
79.05482	0.3
81.07059	0.5
83.08622	0.4
86.09703	30.7
93.07042	0.3
94.21725	0.2
95.08619	0.3
97.10158	0.2
98.98463	3.2
104.10741	3.0
109.10155	0.2
121.10126	0.2
124.99998	21.3
135.11673	0.2
137.35966	0.1
143.01038	0.2
166.62479	0.1
170.05800	0.2
184.07335	100.0
185.07628	0.6
258.11014	0.2
325.27625	0.3
336.25708	0.2
338.27478	0.2
339.27921	0.2
490.32907	0.9
508.33875	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
69.65259	9.4
69.80191	1.4
72.12641	1.5
79.05472	4.1
81.07043	3.7
89.13059	1.2
91.05463	12.5
93.07032	3.9
94.04180	3.0
95.04952	2.7
103.05442	4.3
105.07022	6.1
107.04942	7.3
109.06514	3.0
115.05441	6.3
117.06985	4.6
119.04935	6.2
121.06509	6.1
122.03642	8.7
123.04369	1.7
123.08040	4.5
128.06145	2.1
129.06969	9.3
131.04927	5.7
131.08572	4.2
132.05655	1.6
133.06471	3.0
135.04366	1.7
135.08052	2.7
136.05266	1.4
137.05965	100.0
143.04903	1.9
144.05682	1.6
145.06476	4.0
146.03607	1.8
146.07260	3.4
147.04404	4.5
147.07928	2.2
149.05931	5.4
149.09607	1.5
151.03894	2.8
151.07529	40.7
151.08682	2.6
157.06439	5.9
160.05141	2.0
161.05968	66.8
161.09579	12.7
163.07497	7.1
165.05505	2.0
165.06995	1.6
165.09116	5.8
167.07036	3.2
169.34004	1.7
174.06754	3.9
175.07521	23.8
177.09091	6.5
179.08539	1.8
181.06407	2.2
187.07510	3.0
189.07162	2.0
189.09084	43.1
189.10783	2.6
191.06956	2.3
191.08565	2.0
193.06473	2.3
194.07149	1.3
195.08141	3.6
195.10172	19.9
205.06494	3.1
206.07230	1.6
207.08243	2.9
207.10129	40.0
209.09546	1.8
213.09193	1.5
219.08060	3.0
221.05904	2.6
221.09532	1.6
222.06851	2.2
223.07481	2.7
225.09164	3.4
226.06172	1.7
227.06973	2.5
234.06815	4.0
235.07529	2.8
237.09129	4.2
239.06972	2.0
239.10660	3.2
245.09706	1.9
247.07571	2.5
248.08255	2.6
249.09145	7.6
250.06207	2.4
251.07011	2.8
251.10727	2.9
253.08600	4.2
254.09430	2.0
261.09003	1.9
262.06232	2.3
265.08588	12.4
266.09387	2.7
267.10190	4.8
269.07996	2.1
270.08859	4.3
277.08606	8.6
277.11938	2.5
279.10153	3.8
281.08142	3.0
283.09607	6.2
284.10532	1.6
285.11252	10.3
287.12595	1.9
291.10190	4.1
292.10794	1.7
293.08170	1.7
293.11691	1.8
295.09662	3.5
296.10352	1.5
297.11292	16.1
299.12772	5.5
305.11765	3.1
309.11215	6.0
311.12848	19.1
317.13879	3.3
323.12778	6.9
337.14368	15.2
341.13828	3.1
343.15445	3.1
345.11920	1.4
349.14352	2.9
355.15472	12.0
367.15533	8.4
445.16266	1.4
461.19427	1.6
479.20438	5.1
509.21509	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	508.267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.1
55.01858	3.1
55.05509	19.1
57.03424	5.1
57.07076	1.0
60.18318	0.8
61.39927	0.8
67.05495	16.9
69.03416	2.5
69.07065	12.4
69.44260	6.3
71.04987	0.9
71.08627	17.8
79.05489	14.1
81.03416	5.3
81.06596	1.4
81.07048	13.9
83.04984	4.4
83.08618	7.1
85.06508	1.3
91.05475	9.4
93.07042	10.4
95.04972	5.8
95.08595	6.2
97.02991	0.9
97.06484	2.2
97.10159	9.4
98.98450	2.7
99.08080	12.7
105.07028	5.6
106.13118	0.8
107.04958	2.5
107.08590	8.8
109.06506	2.0
109.10139	7.0
117.07014	2.0
119.08559	3.6
121.06499	2.3
121.10117	2.2
123.08030	1.9
125.09622	6.5
126.99850	0.8
131.08551	2.7
133.06529	1.0
133.10091	4.0
135.08043	2.4
135.11690	2.7
137.09599	1.6
139.11148	1.5
145.10109	2.4
146.05963	0.8
147.11684	1.7
149.13240	1.4
151.11209	2.8
159.11699	1.3
162.94214	0.9
163.11212	1.5
167.10637	2.1
168.04967	0.8
169.12122	1.0
173.11790	1.1
177.12741	1.7
181.12259	1.0
184.07315	1.4
189.11208	3.5
216.06331	1.9
227.12737	2.1
247.20546	1.3
267.15894	1.7
275.20029	8.5
293.21088	67.2
318.24249	1.3
336.25259	3.0
340.64902	1.0
349.23755	3.7
350.06970	0.9
367.24762	100.0
368.25226	2.1
406.22910	1.2
429.20468	2.0
447.21353	2.5
476.23734	1.1
490.25180	1.2
508.26917	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	508.3395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.9
54.47807	0.4
55.05510	13.3
57.03440	6.9
57.07074	8.7
63.54821	0.4
67.05499	12.7
69.07064	23.9
69.54870	3.7
70.06583	1.1
71.04992	1.0
71.08623	3.9
72.08149	58.8
79.05487	5.8
81.07050	13.8
81.07529	0.6
83.04961	0.9
83.08614	12.3
85.07021	0.4
85.10174	1.3
91.05437	1.0
93.07040	7.5
95.08600	14.0
97.06500	2.4
97.10163	9.0
99.74872	0.4
105.06993	0.6
107.08575	5.0
107.49306	0.5
109.10136	5.3
111.08062	1.6
111.11690	2.3
113.05875	0.5
119.08513	0.7
121.10130	5.8
123.11707	1.6
125.09598	1.4
125.27992	0.5
135.11685	4.3
139.11176	1.1
149.13252	2.5
153.45857	0.5
163.14809	0.6
170.05765	56.7
195.00323	2.0
220.28210	0.4
244.09500	0.8
247.24174	0.8
265.25165	0.8
339.28906	100.0
340.29190	3.0
370.68149	0.7
401.67465	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.353
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.4
53.89404	2.6
55.05511	15.8
56.91683	2.9
57.03430	3.6
57.07058	11.7
61.02919	4.9
65.03902	3.2
67.05508	31.3
68.95037	2.5
69.03418	12.8
69.07068	40.1
70.06578	4.0
71.04962	8.9
71.08618	3.2
72.08157	4.7
73.40166	2.6
73.72881	2.6
79.05473	17.4
81.03413	9.3
81.07056	100.0
83.08614	18.7
84.04499	2.7
85.02910	23.9
85.06525	9.4
86.09698	5.4
87.04453	5.0
91.05474	24.7
93.07046	30.2
95.04964	7.8
95.08609	93.1
97.02876	12.6
97.06516	9.7
97.10165	10.7
98.05307	2.3
99.08080	6.4
103.05439	8.3
105.07053	16.2
106.06581	3.1
107.04942	5.8
107.08585	30.8
109.02868	7.6
109.06496	6.9
109.10157	64.0
111.04397	4.0
111.08054	7.9
111.11718	9.3
115.05429	4.8
117.07025	4.2
119.04913	12.0
119.08573	7.8
120.08089	2.8
121.06499	5.2
121.10138	21.0
122.03659	4.3
123.04422	4.8
123.11710	42.7
127.03931	7.9
127.11201	8.9
131.04930	7.7
133.06491	4.9
133.10202	5.2
135.04451	3.2
135.11658	15.5
137.05974	72.4
137.13205	20.0
139.03854	3.4
139.11195	2.9
145.04991	5.0
145.06413	3.6
147.04422	18.7
147.11696	9.6
149.05943	10.0
149.13260	25.0
151.03899	5.6
151.07520	26.1
151.14799	10.0
153.12761	8.0
155.14270	4.7
161.05998	13.0
161.13292	5.0
163.03882	3.7
163.07538	10.0
163.14835	14.1
165.05475	3.3
165.09113	4.3
165.12738	7.2
167.07086	14.2
167.14267	3.4
174.06755	3.8
175.07565	12.9
177.09171	4.2
177.16350	6.5
181.05023	5.8
187.07504	5.0
189.09058	5.9
189.16299	3.6
191.06992	4.9
191.17946	4.7
194.78386	2.9
199.07530	20.0
203.17923	3.0
205.19550	6.7
211.07568	7.1
217.19476	6.2
242.01335	3.4
261.25714	4.0
265.08499	8.2
273.25742	8.9
277.08630	3.8
279.26801	13.9
285.11148	3.7
291.10272	4.6
291.26852	38.9
297.11246	5.6
305.11554	3.2
309.28018	18.8
311.12732	3.7
318.16885	4.4
321.11169	5.1
323.12671	4.9
335.12839	8.2
353.13696	4.2
365.14059	4.5
395.62769	4.1
458.64301	5.2
477.18829	4.9
489.18796	5.0
507.19644	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	507.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	5.5
57.03428	5.9
57.07077	20.6
67.05505	13.4
69.07077	6.4
70.72324	2.5
71.08630	12.4
73.06052	1.0
76.71576	1.0
79.05483	5.8
81.03421	5.4
81.07054	13.0
82.03749	2.2
83.04999	1.8
83.08614	9.5
85.10178	9.5
89.06042	0.9
91.05486	3.7
93.07055	5.3
95.04955	1.9
95.08598	12.4
97.06524	1.4
97.10176	3.2
100.90619	1.1
105.07046	2.0
107.08594	4.2
109.10130	6.5
115.03639	1.5
119.08565	2.4
121.10117	2.0
123.11747	2.5
131.08521	1.8
133.10162	1.1
135.11705	1.4
137.23927	1.0
147.11717	2.3
149.09506	1.1
149.13268	1.5
150.68652	0.9
159.11699	1.2
176.99263	3.5
180.81657	1.0
195.00304	100.0
208.30463	1.1
213.00137	3.9
226.84949	1.0
231.01080	1.3
239.23795	1.2
257.24710	1.2
313.23749	1.6
313.27353	30.7
341.71494	1.1
345.34369	0.9
400.82947	1.1
489.35602	2.5
507.27057	12.6
507.40350	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	507.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	0.7
55.05515	0.8
57.03453	1.0
62.77096	0.6
67.05498	5.2
69.07074	1.1
70.65503	1.3
70.65878	1.1
71.04987	0.6
79.05473	4.2
81.07055	5.1
83.05006	0.7
83.08638	0.7
91.05470	4.7
92.53587	0.7
93.07053	3.7
95.04968	1.4
95.08643	2.5
97.06561	1.1
98.21468	0.8
98.98479	0.9
102.04690	6.5
103.05458	1.9
104.56429	0.6
105.07037	2.2
107.04971	1.0
107.08610	2.3
109.10161	1.9
115.05515	0.6
117.07035	1.4
117.47297	0.6
119.04975	2.3
119.08606	1.2
121.10153	0.9
123.00804	1.1
129.07033	0.9
130.04144	5.2
131.04950	6.6
132.05705	1.1
133.06450	0.7
133.10153	0.9
135.04417	0.7
136.05205	0.8
137.06015	1.2
145.10168	1.3
146.03662	2.4
147.04414	7.2
147.11690	0.9
148.05212	3.1
149.09712	0.9
151.07541	4.3
153.01830	4.8
161.05991	2.9
162.06738	6.4
162.65515	0.7
163.03934	1.9
165.09181	1.4
203.03351	6.6
213.05519	2.9
227.03429	1.5
229.04970	8.3
241.04993	2.5
242.05753	9.4
243.21194	1.0
253.05032	1.4
256.03690	0.9
257.04443	59.9
258.05240	14.0
269.04462	1.9
270.05292	1.6
284.03275	1.9
285.03943	8.3
286.04712	21.1
287.05453	10.5
295.06183	0.9
297.03915	4.2
335.25870	5.7
359.09079	1.1
375.08630	0.7
375.32385	0.7
387.08575	5.4
398.38303	0.7
403.07959	1.5
415.08075	14.7
432.08170	1.6
447.10791	18.9
507.12875	100.0
508.13348	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	507.1497
Annotation	Mikanin 3-galactoside
Peak:m/z	Relative Intensity
62.46493	0.1
67.05501	0.2
69.07059	0.2
70.54282	0.5
70.54659	0.2
79.05471	0.2
81.07034	0.4
85.02889	0.2
91.05445	0.3
93.07048	0.3
95.08604	0.3
103.34254	0.1
107.04974	0.2
109.10160	0.2
123.04411	0.2
127.60052	0.2
131.04863	0.2
133.06503	0.2
135.87999	0.2
137.05962	0.6
151.07532	0.4
153.01866	0.5
154.02545	0.2
161.02522	0.2
162.37466	0.2
165.05450	0.2
165.09050	0.3
167.07027	0.4
178.02599	0.2
181.04912	0.3
213.03210	0.2
229.04977	0.3
230.05817	0.3
242.05557	0.4
253.04999	0.7
254.05713	0.5
255.06514	10.2
256.07294	5.4
258.05307	0.3
259.05936	0.2
269.04514	0.3
271.06100	0.4
283.06046	1.4
284.06802	7.2
285.03931	0.3
285.07407	0.2
286.04706	0.6
287.05490	2.1
291.26691	0.2
299.05496	13.1
300.06097	0.7
301.03491	0.5
301.06995	2.9
311.05511	3.4
312.06119	1.6
313.03363	0.9
313.06796	0.3
315.04977	12.2
316.05447	0.4
329.06537	6.7
330.07230	1.3
345.09674	100.0
346.10019	2.4
507.14664	0.5
507.33179	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	15.4
67.05502	19.4
69.03413	28.6
69.07045	15.9
69.27180	14.5
69.27582	65.2
71.04984	10.1
71.65633	8.5
79.05465	9.7
79.48569	8.3
81.03384	8.1
81.07056	69.7
81.88368	8.1
85.02899	34.5
85.06550	10.2
90.33924	9.4
91.05482	17.7
93.07042	19.7
95.04988	13.3
95.08595	28.0
97.02892	53.5
105.07060	11.9
123.11697	100.0
124.07577	13.9
127.03944	9.5
137.05952	59.7
147.04398	8.0
151.07504	47.1
163.07567	16.5
169.12230	24.6
187.13245	15.3
199.69995	9.1
209.24971	8.0
212.16440	67.4
228.00632	8.4
240.20856	8.7
283.15482	20.4
287.05429	10.9
301.16525	89.0
344.20767	19.5
374.22165	14.1
506.19504	10.6
506.25964	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	506.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.0
55.01860	2.6
55.05483	1.8
57.03430	12.7
59.04970	3.1
60.04511	3.0
67.05496	2.6
69.03427	40.9
69.91984	5.8
69.92403	2.9
71.56887	1.4
79.05490	4.1
81.03409	1.5
81.07044	6.5
83.04971	3.9
84.04494	2.0
85.02903	31.4
87.04469	29.9
91.05481	4.2
92.02985	1.3
95.04984	3.1
97.02879	26.5
103.05461	3.1
105.07021	5.0
107.04953	44.9
115.03931	38.1
115.05441	2.7
117.03362	1.9
117.07072	2.1
123.11712	2.8
124.11985	2.1
127.03913	2.5
133.04965	36.4
135.04405	3.7
135.08054	15.1
137.05957	10.2
138.06303	2.8
139.03886	1.4
144.06552	2.0
145.02847	2.5
145.05000	1.9
145.06435	1.6
145.07646	1.7
146.03189	2.3
147.04413	1.3
150.07614	6.0
162.07637	1.9
163.03905	21.1
163.07536	50.4
164.04227	10.2
167.07034	10.6
175.07559	3.6
187.07509	4.1
195.10164	100.0
202.58163	1.7
205.08624	4.1
207.10132	5.8
237.11246	4.1
261.11191	2.4
308.06323	1.8
312.13199	1.9
326.16953	1.9
506.20584	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	1.1
55.01868	1.3
57.03445	10.1
59.04992	2.6
60.04526	1.2
69.03432	34.2
69.73739	7.0
70.06571	1.1
73.02927	2.1
81.03415	1.6
81.07063	1.4
85.02908	25.2
87.04475	18.9
91.05455	2.6
92.11313	1.1
93.03436	1.1
95.04936	1.9
97.02304	2.3
97.02891	27.7
98.21497	2.2
98.71861	1.0
103.05479	5.2
105.07017	3.0
107.04943	9.8
109.02870	1.3
115.03926	37.7
115.05479	1.3
120.08083	1.1
127.03884	3.1
131.04956	1.7
133.04964	37.0
135.08020	5.2
137.05957	3.2
139.03882	3.5
142.25380	1.0
144.06551	3.4
145.04990	2.6
146.06047	1.8
150.07605	3.7
151.03920	1.8
154.06244	31.8
162.07596	2.6
163.03874	1.8
163.06152	2.1
163.07544	27.8
165.09045	1.2
166.08623	1.3
167.07053	1.8
177.05473	1.3
178.08817	1.1
195.10168	100.0
207.10239	6.1
213.09093	1.9
218.08078	3.1
219.10083	2.0
245.11673	1.4
273.11343	1.3
285.07538	1.2
286.04614	1.8
291.12228	4.1
299.09082	2.1
301.06973	2.9
302.07483	3.7
309.13440	1.7
312.12604	1.6
327.05020	2.6
327.08725	3.5
344.07367	1.9
344.11096	5.2
344.14658	1.3
345.96344	1.2
506.19922	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.0
55.01868	3.8
57.03432	5.1
61.02928	10.7
67.05521	1.4
69.03426	18.6
71.04974	2.7
71.51711	1.7
73.02911	3.4
79.05502	1.9
81.03416	8.8
83.01332	1.0
85.02907	100.0
86.09691	1.4
87.04478	2.8
91.03965	4.5
91.05462	1.4
95.08602	1.8
97.02297	1.9
97.02899	27.1
99.04491	4.8
105.07026	10.0
107.08615	1.5
109.02881	9.7
109.06531	1.6
109.10159	1.8
121.10126	1.6
123.04498	1.1
123.08155	1.2
123.11753	1.3
124.05200	14.7
127.03922	23.6
133.06483	8.6
137.05981	21.2
137.09592	2.2
144.06517	1.5
145.04964	44.9
151.03862	1.1
151.11125	2.5
163.06035	12.7
165.09114	43.6
191.14333	1.2
192.14633	1.9
209.15347	2.9
210.15727	3.3
212.17224	1.2
256.87308	1.0
279.06204	1.1
502.93457	1.3
506.20023	1.9
528.22272	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.4
55.01874	0.5
55.20139	0.3
57.03442	0.4
60.83843	0.3
61.02934	0.9
65.03944	0.8
68.70551	0.3
69.03429	2.8
71.04988	0.3
71.50759	0.6
73.02934	0.5
81.03434	0.9
84.04502	0.4
84.08147	0.3
85.02904	11.0
87.04445	0.3
91.03941	0.7
91.05471	5.5
95.04967	0.4
97.02899	2.7
99.04458	0.5
101.38889	0.2
109.02874	1.0
119.04942	19.0
123.04449	1.4
127.03921	2.8
145.04962	4.3
147.04407	100.0
148.04744	1.4
158.98663	0.3
163.06012	1.3
165.05476	49.8
166.05733	0.6
180.08614	0.8
182.08086	0.4
192.04489	0.3
197.70590	0.3
257.86703	0.3
309.09686	0.4
344.13281	1.0
355.26425	0.3
506.17474	0.8
514.89105	0.3
528.41534	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2022
Annotation	Neoalangiside
Peak:m/z	Relative Intensity
55.05493	0.7
66.20844	0.8
69.03406	1.1
69.64077	4.4
71.04990	1.1
78.78953	0.6
79.05477	2.0
79.36285	0.6
81.03433	1.4
81.07043	1.5
84.68121	0.6
85.02890	2.3
87.38525	0.6
91.05472	3.3
95.04961	1.5
97.02889	2.4
98.21500	1.2
103.05444	2.8
104.06229	1.4
105.07018	9.4
107.04950	1.9
109.02863	4.7
109.06497	1.0
111.04411	1.7
115.05479	1.2
117.05731	0.9
120.08124	1.7
126.05510	1.5
127.03908	1.2
130.06532	2.2
131.04892	1.6
132.08092	29.3
133.06520	1.0
135.04408	1.2
137.05957	3.0
137.09583	1.2
146.09601	0.9
149.05913	0.8
151.03886	0.9
151.07558	0.9
153.05501	0.9
158.09628	1.7
161.05992	1.0
163.03987	0.8
163.07527	0.7
165.09108	1.9
167.07048	1.5
200.10831	1.0
210.09186	2.9
219.48598	0.8
228.10190	100.0
229.10533	1.7
250.12299	0.8
252.13823	2.3
256.09717	2.4
270.14957	1.3
274.10733	33.2
280.13330	7.2
284.10034	1.0
298.14386	22.5
306.55594	0.7
326.13934	9.2
344.14929	48.6
392.56497	0.7
473.39725	0.7
506.19336	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
65.14360	2.6
71.04980	9.8
80.74789	2.9
81.07036	4.5
85.02888	8.3
90.74960	2.6
91.05431	3.8
94.54140	2.5
131.04915	5.0
135.04401	3.2
137.05992	25.4
137.09628	3.2
138.06343	5.4
149.05951	4.0
151.07501	3.1
161.05908	6.8
163.03894	9.4
164.04204	4.5
175.07596	4.0
190.22440	3.0
207.07982	3.0
219.08139	6.4
220.08446	4.0
221.06047	3.3
223.07547	6.2
225.09135	5.8
235.07510	6.8
237.08990	5.4
239.07083	6.2
248.08017	3.8
249.09068	6.5
253.08580	5.4
258.05316	3.4
265.08575	9.2
266.09174	10.9
267.09982	3.9
279.10025	3.8
280.10754	3.9
281.08011	4.9
282.12274	3.2
283.09528	3.7
285.11252	5.5
286.11823	9.3
297.11203	7.2
298.11810	9.5
309.11127	5.9
310.11902	10.1
311.12753	11.6
312.13013	3.9
327.12302	37.5
329.13669	3.1
330.14542	51.2
341.13806	12.6
342.14569	100.0
344.11273	6.1
351.51666	3.4
360.15439	10.3
476.20261	4.1
488.20255	6.7
513.36707	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	506.169
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82636	1.5
53.03933	3.1
55.01876	2.0
56.05037	10.5
57.03416	3.8
61.02908	6.7
63.16314	1.7
65.03947	1.8
67.05497	3.2
69.03429	18.5
70.06580	4.5
70.36692	3.3
70.37090	4.5
71.04971	4.7
73.00739	2.8
73.01136	44.8
73.02908	6.4
75.02687	1.6
79.05489	10.7
81.03424	14.5
81.07053	5.0
82.48868	1.5
83.01308	1.6
83.04970	2.4
85.02903	42.6
86.96155	1.6
87.04450	3.4
88.02206	4.8
90.03788	7.5
91.03943	2.5
91.05413	1.9
93.07058	3.5
94.06594	1.9
95.04963	17.3
96.04463	3.4
96.08136	2.3
97.02898	17.0
99.02681	2.6
99.04448	3.5
100.02182	2.9
102.05521	5.7
103.03937	2.0
103.05438	2.7
105.03419	2.8
105.07001	2.7
106.05865	2.8
106.06549	35.8
107.04955	14.2
107.07345	1.7
108.04467	1.9
109.02889	12.3
109.06510	5.8
111.04469	2.4
116.05320	7.7
118.03219	2.3
119.01615	3.3
121.06506	4.0
123.04433	9.7
123.08094	1.7
124.03947	41.1
125.04278	1.7
126.05504	2.7
126.24847	1.7
127.03899	10.3
130.06514	2.8
131.02588	1.5
131.04965	4.0
132.08093	3.1
134.02673	4.6
134.05989	1.9
135.04399	2.2
136.04251	2.9
137.05963	5.9
138.05469	5.5
139.03889	19.6
140.07051	2.8
141.05431	4.8
143.05084	1.4
145.03204	3.0
145.04938	5.2
146.02687	5.7
147.04369	4.4
148.07599	10.1
149.05963	4.4
150.05453	2.6
151.03906	12.0
159.04375	2.8
160.04543	1.6
162.05818	9.3
162.09192	2.6
163.03914	1.4
164.07054	9.1
165.05467	78.6
166.08655	1.8
167.06982	3.9
176.07043	7.3
177.05447	6.6
181.05026	1.6
183.06573	3.2
185.22136	1.5
190.05298	3.2
190.08653	2.0
196.04257	5.6
198.05803	3.4
203.50641	1.4
206.06409	1.9
208.06079	4.4
209.08081	6.7
214.08968	3.1
220.13788	1.7
224.03795	6.8
224.07376	78.1
226.05376	4.2
226.08958	5.1
232.09642	7.1
234.07613	2.5
240.03528	1.5
242.04796	24.3
242.08440	5.9
244.06435	9.2
246.07906	1.7
248.07349	2.4
256.06375	10.4
258.07986	27.4
264.12274	1.7
265.15857	2.1
266.08478	11.4
274.07346	2.0
282.07910	2.9
284.09534	2.7
294.07898	37.0
298.11102	3.5
300.12976	1.5
308.09485	10.2
312.08978	22.2
326.10526	86.1
344.11563	100.0
386.12708	3.1
488.15961	2.3
506.16675	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	505.2643
Annotation	Platanionoside G
Peak:m/z	Relative Intensity
55.05497	5.1
67.05499	11.4
69.03425	8.7
69.07057	11.8
69.20522	1.9
70.06580	4.0
71.04990	3.6
71.50083	2.6
72.08141	2.2
73.02908	8.6
79.05474	2.8
81.07047	15.3
83.04977	5.8
83.08620	3.0
85.02900	9.6
85.06547	3.2
86.13156	2.3
91.05480	12.5
93.07034	8.2
95.04973	3.2
95.08592	25.6
97.02874	5.8
97.10155	2.8
99.08143	3.2
103.05464	4.0
105.07021	8.5
107.04964	2.9
107.08564	15.2
109.06455	5.1
109.10152	64.4
115.03955	3.1
119.04960	7.0
119.08579	20.7
121.10133	9.1
123.08067	8.7
123.11691	6.6
131.04900	7.5
133.04955	2.6
133.10141	11.4
135.04465	2.5
135.11693	54.5
137.05981	32.0
137.09633	15.1
139.11172	5.0
147.04469	4.3
149.13272	5.1
151.03882	5.6
151.07536	16.1
151.11182	7.4
151.14836	8.2
153.12822	2.8
161.05948	2.8
162.27814	2.2
163.03882	6.3
163.06104	3.3
163.07544	8.6
165.16415	3.3
167.07042	3.1
175.07582	5.2
175.14813	27.2
177.05525	2.7
193.15887	44.7
193.17644	2.5
194.52077	2.1
211.14886	4.8
211.16927	100.0
271.05939	2.9
297.11246	2.7
299.13190	2.5
313.14127	2.2
385.53909	2.2
487.17883	2.3
505.22189	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	505.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94172	2.4
50.95523	2.5
53.03941	5.5
55.01852	6.7
55.05518	23.7
57.03428	5.4
65.03914	4.3
67.05502	54.8
69.03417	3.2
69.07066	19.4
70.20060	9.7
77.03893	2.8
79.05494	30.7
81.03423	6.9
81.07056	52.7
83.04971	5.4
83.08601	7.2
85.06540	6.3
91.05472	44.0
93.07046	41.4
95.04433	2.7
95.04951	16.8
95.08604	52.9
97.06528	11.9
97.10159	8.5
99.08067	3.3
105.07028	38.7
107.04926	8.8
107.08585	27.8
107.10168	2.8
109.06532	6.5
109.10156	25.0
111.08084	4.7
112.60789	2.5
117.07017	15.2
119.08592	34.2
121.06488	6.6
121.10136	19.5
123.08073	9.0
123.11678	7.7
125.09644	3.7
129.06999	9.9
131.08539	17.8
133.10118	24.2
135.08038	7.4
135.11664	7.4
137.09584	11.0
141.09068	7.6
142.07828	3.2
143.08575	9.4
145.10114	17.3
147.08070	3.7
147.11690	17.9
149.09570	14.8
149.13274	7.5
149.44365	2.8
151.07545	6.4
151.11127	3.9
155.08531	4.9
157.08757	3.0
157.10095	11.9
159.11679	12.2
159.80530	2.7
161.09680	5.7
161.13277	5.7
163.11186	6.5
165.09103	100.0
165.12743	3.2
166.09468	3.8
169.10097	7.9
171.11700	7.3
173.09575	6.1
173.11687	3.6
173.13184	6.3
177.12679	3.8
179.10608	3.4
183.11789	4.7
185.13255	5.9
186.87846	3.0
187.09602	3.8
187.11102	3.9
191.10690	4.8
195.13847	3.4
197.13261	4.7
203.10669	9.9
205.12192	10.9
219.95303	2.9
235.16893	5.0
259.20450	4.6
263.20099	3.8
275.20035	31.7
277.21777	6.4
291.19839	3.0
292.13165	2.9
293.21060	3.7
301.21497	3.3
327.23514	2.7
433.30881	7.6
451.32037	11.8
459.34460	3.8
469.33255	19.3
487.34897	13.1
505.34869	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	505.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.9
55.03208	1.2
55.05503	5.5
55.59699	1.1
57.03439	8.6
57.07063	1.3
65.03940	1.2
67.05501	17.9
69.07061	5.1
70.70100	1.9
70.70410	1.9
75.04479	1.3
79.05489	14.9
81.03433	3.0
81.07051	16.8
83.08621	3.4
85.06542	1.2
87.73723	1.4
91.05467	16.9
93.07039	21.7
95.04975	3.0
95.08595	17.5
97.06527	2.1
97.10191	1.4
98.98462	16.7
105.07023	17.2
107.04951	2.3
107.08597	13.1
107.90498	1.2
109.10142	4.3
117.07026	4.1
119.08585	19.3
121.10143	11.7
123.08022	2.2
129.05498	3.0
129.06998	3.1
131.08557	10.5
133.10124	13.3
135.08128	1.2
135.11674	11.6
137.05946	1.6
143.08545	2.8
145.10136	9.8
147.11674	9.7
149.09575	1.2
149.13237	4.9
155.01041	2.2
155.07066	2.7
157.10106	3.7
159.11678	9.6
161.13246	10.2
163.11224	1.3
163.14827	3.9
168.18268	1.2
171.11667	6.3
173.02077	2.0
173.13220	6.2
175.11263	1.7
175.14783	7.0
185.13251	3.6
187.14799	3.0
199.14796	2.7
215.17958	5.0
217.19501	4.4
231.21127	1.5
241.19476	26.4
243.21111	3.3
247.05821	3.2
259.20547	13.2
315.23141	2.4
333.24207	100.0
334.24402	2.6
427.08179	1.8
473.08710	2.9
505.11578	2.5
505.19226	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.1
55.01871	5.1
56.05040	1.6
57.03445	1.9
65.03939	3.2
67.05499	4.2
69.03429	6.8
70.06583	1.7
71.49549	1.6
71.49966	1.5
73.02906	1.8
79.05489	9.3
81.03429	3.4
81.07046	5.5
83.04974	2.5
84.04501	46.6
85.02900	10.3
91.05476	48.6
93.07047	3.2
95.04966	10.2
95.08604	1.7
97.02904	3.5
97.06562	1.8
101.07133	6.1
102.05537	1.8
103.05473	8.8
105.03388	13.0
105.07035	10.1
107.04957	13.3
109.02857	4.4
109.06535	11.5
113.05968	2.0
115.05470	3.9
117.01176	1.3
117.07037	3.0
119.04940	73.1
121.06492	6.1
122.03696	3.1
123.04403	2.4
123.08072	4.5
123.11676	3.0
125.02338	2.3
127.03916	2.5
129.06966	1.4
130.05003	72.7
131.04889	7.8
133.02856	2.0
133.06470	9.1
135.04407	24.9
135.08054	3.5
137.05975	66.7
139.03899	2.6
145.06474	2.7
146.03635	1.8
147.04408	27.9
147.07642	100.0
149.05981	10.5
151.03929	4.5
151.07547	39.4
153.05513	2.5
157.44618	1.4
159.08034	1.9
161.05975	24.6
162.06718	10.5
163.03894	3.1
163.07535	4.4
165.05490	5.0
167.07007	2.0
175.07532	13.6
177.05463	6.8
177.09026	1.6
178.08521	1.5
179.07034	36.5
179.08585	2.7
187.03967	2.2
187.07573	7.7
191.08577	2.7
193.08607	5.5
195.06538	4.8
197.17569	1.5
205.08582	11.5
219.08017	3.6
224.09326	3.7
231.07979	1.4
235.09616	2.8
251.10677	2.5
274.09396	1.4
279.10208	3.3
296.10431	1.6
298.11365	1.4
309.11130	7.0
311.12708	5.8
329.13794	3.0
339.10541	1.5
341.10141	2.8
341.13895	4.9
343.17453	6.1
505.22363	13.7
530.03058	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38265	2.1
55.01855	3.0
55.05513	3.2
57.03427	3.9
67.05489	4.7
69.03412	7.5
69.07047	2.9
69.41248	11.1
69.41677	5.6
71.01364	1.8
71.04990	23.9
75.03307	1.9
79.05489	4.1
81.07042	5.2
81.47710	1.9
85.02909	30.6
86.75736	2.0
87.04446	3.7
91.05473	6.3
95.04961	7.3
95.08624	3.7
98.00348	1.8
107.04930	4.9
107.08563	2.9
109.10122	2.0
111.04425	3.9
111.38737	2.0
119.04903	4.6
119.08591	2.1
121.06525	2.5
123.04417	3.6
123.11678	3.9
129.05453	5.8
131.04933	4.4
133.10164	3.2
135.04361	2.9
135.08035	2.6
137.05981	27.3
148.12619	2.4
151.03854	4.0
151.07541	4.2
159.08031	3.8
161.06017	8.6
163.03796	3.0
163.07556	3.9
165.09061	3.3
167.07066	18.3
175.07506	5.5
179.07001	2.4
181.04990	23.2
193.08525	4.0
195.08182	2.6
203.06956	4.9
210.06638	2.3
211.07587	2.3
219.07971	3.7
221.09682	3.9
223.07584	6.2
224.08232	2.6
237.09117	2.7
238.09894	2.9
239.07066	3.2
240.07762	3.1
249.09109	3.3
252.07841	5.0
253.08455	5.4
257.07977	4.4
261.08966	2.8
263.06873	2.1
265.08563	4.8
265.11978	2.1
266.09290	2.8
267.10107	6.0
269.08020	5.7
277.08569	4.5
281.08136	2.6
281.11649	4.8
283.09662	9.8
285.07483	3.2
295.09637	6.3
297.07672	3.5
297.11041	3.8
298.08380	6.8
300.09879	9.2
309.11096	3.3
311.12653	3.7
313.10660	42.2
313.14340	25.4
316.56119	2.3
325.14456	2.5
326.11523	5.0
327.12231	11.8
331.15283	9.1
339.12518	2.4
341.13721	20.9
353.13901	3.8
359.14880	100.0
365.13727	2.3
371.15070	4.4
383.14716	4.0
401.15729	6.6
451.16949	2.7
487.17490	2.9
500.28601	2.3
505.19229	9.0
523.19702	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	505.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.5
55.05515	2.0
57.03438	5.5
59.04994	1.4
67.05504	2.7
69.03426	6.5
69.07081	1.4
69.38912	10.3
71.04993	24.1
73.01254	1.0
73.02927	1.9
73.46246	1.0
75.04460	1.9
79.05480	2.9
81.07052	3.3
83.04977	4.2
85.02908	29.3
86.09688	1.1
87.04446	1.6
91.05476	4.2
93.07047	1.6
94.04195	1.7
95.04963	4.4
95.08578	2.1
97.02880	1.2
97.06534	1.6
103.05473	2.4
105.07008	2.6
107.04974	1.7
107.08576	1.3
109.06513	1.7
111.04433	4.1
115.05462	1.4
117.07056	2.9
117.31007	0.9
119.04968	1.0
120.37251	1.0
121.06487	2.6
122.03686	2.3
122.27930	1.0
123.04444	1.3
123.11695	2.2
129.05504	5.5
131.04938	5.2
133.02858	1.3
134.19992	1.3
135.04420	2.7
135.08049	2.7
137.05980	36.0
144.05679	1.7
145.06517	2.1
149.05963	2.4
150.69693	1.0
151.07558	4.9
151.11115	1.4
153.05493	1.2
154.17883	1.1
155.07072	1.4
159.08026	3.3
160.05093	1.5
161.05969	5.9
161.09688	1.3
163.03893	9.9
163.07613	6.6
165.05562	1.2
165.06927	1.4
165.09145	3.0
167.07086	8.8
167.08481	1.8
171.06523	1.8
171.08008	1.4
175.07581	4.6
177.09114	6.6
178.07857	2.3
181.04961	23.0
187.07617	1.3
189.09116	1.3
190.25739	1.1
191.08644	2.0
193.08560	2.0
195.08130	2.9
195.10184	1.9
197.05951	1.8
197.95506	1.4
205.06535	2.1
206.07339	2.0
207.08060	3.2
209.09608	1.9
210.06818	1.3
211.07545	2.6
219.08041	2.9
221.09534	5.5
222.06819	2.4
222.10405	1.4
223.07603	4.4
224.08319	2.3
225.09035	1.4
227.06990	1.2
227.54680	1.1
235.07491	2.2
235.11133	1.5
236.08354	1.4
237.05711	1.2
237.09143	3.1
238.09930	3.6
239.07047	2.2
239.10779	1.1
240.07794	2.3
247.07590	1.7
248.08313	1.9
249.09189	3.7
250.09676	1.5
251.07051	3.0
251.10663	2.2
252.07738	2.8
253.08595	4.2
253.12306	1.8
255.10135	2.4
257.08163	3.8
263.10504	1.4
264.07907	2.5
265.08661	6.8
266.09332	3.4
267.10251	3.9
269.07986	3.8
270.08905	1.1
273.09009	1.1
275.06827	1.2
277.08572	3.0
279.10138	2.3
281.08197	4.0
281.11688	4.1
283.06354	1.9
283.09637	8.0
284.10266	1.4
285.07684	2.5
285.10858	1.6
291.10150	2.5
293.08118	1.7
293.11697	1.8
295.09692	5.9
297.07779	2.3
297.11227	4.3
298.08331	3.6
299.12787	2.6
300.09933	11.8
305.11508	1.4
307.09714	1.5
309.11185	2.7
310.11877	2.5
311.09186	2.2
311.12772	3.2
313.10687	41.9
313.14368	26.7
314.11365	1.7
323.12900	2.6
325.10712	1.7
326.11432	3.9
327.12292	15.4
331.15347	8.8
333.11169	2.8
337.10654	1.2
339.12277	1.3
341.13849	23.9
343.46954	1.2
351.12213	4.4
353.13849	3.0
355.11453	2.6
355.15390	4.1
359.14883	100.0
360.15213	2.2
363.12070	1.4
365.14142	1.6
369.13297	1.4
371.14828	5.8
373.12543	1.4
377.15695	1.3
383.14740	4.6
395.14658	2.2
401.16046	8.9
425.14578	1.3
451.17450	3.3
457.16211	2.8
469.18799	1.8
487.17270	1.6
505.20465	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	505.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.3
55.01871	1.8
57.03428	1.4
69.03437	3.6
69.51461	2.7
69.51885	3.1
70.06590	1.0
70.12254	0.8
71.05000	1.8
73.02938	1.0
79.05486	2.0
81.03426	5.0
81.07068	1.6
83.63211	0.7
84.04510	1.9
85.02902	5.4
91.05474	8.8
93.25067	0.7
94.04164	1.8
95.04958	3.4
97.02885	2.0
103.05457	2.7
105.03349	1.0
105.07029	6.5
107.04934	2.3
108.05785	0.8
109.02867	3.5
109.06506	2.6
115.05470	1.1
118.70094	0.7
119.04949	7.1
121.06493	1.6
122.03675	4.1
123.04385	0.8
127.03916	3.1
129.06982	0.7
130.04991	2.5
131.03448	0.7
131.04913	3.3
133.06487	8.0
135.04488	0.9
137.05977	100.0
141.05464	2.9
143.04932	2.1
145.04948	1.0
145.06467	2.0
146.03664	1.0
147.04439	3.9
147.07607	4.7
149.05971	3.0
151.03929	3.5
151.07541	29.8
159.52075	0.7
160.05124	1.0
161.05992	8.3
162.06766	1.9
163.07498	4.7
164.04601	0.9
165.05511	1.5
165.06947	0.9
165.09155	4.1
167.07034	1.0
171.08093	0.9
175.07571	4.7
177.05464	1.9
177.06902	0.8
177.09105	2.3
179.07034	33.9
179.08481	1.5
181.08643	0.9
187.07547	2.9
189.09119	2.9
190.07751	1.6
191.07019	2.5
191.08572	4.7
191.14221	1.0
193.08591	2.1
194.07300	2.9
195.08072	0.8
197.05977	1.1
199.07520	1.2
201.09143	0.9
203.06969	2.1
205.06410	1.9
205.08411	0.9
207.08011	1.8
208.08850	1.3
209.07964	1.2
209.09650	1.1
210.22298	0.9
211.07735	1.1
211.09727	2.7
217.08572	1.3
218.07262	1.2
219.08090	8.8
220.08862	1.4
221.05960	1.8
222.06801	2.4
231.10291	1.1
233.09451	1.0
235.07458	3.6
236.08376	2.3
237.09108	3.2
239.10669	1.4
247.07500	4.5
248.08351	1.8
249.08965	0.9
251.10713	4.5
263.10654	0.8
264.07877	2.9
265.08618	11.8
267.10043	1.4
273.11221	1.2
279.10181	14.5
280.10925	1.4
291.09909	1.8
295.09631	3.3
296.10352	1.2
297.11237	10.7
299.12747	6.2
302.63934	0.7
309.11221	4.2
310.11966	2.9
311.12784	20.5
311.16272	1.3
323.12729	1.5
325.14148	1.7
329.13922	4.3
341.13821	36.5
343.15527	2.3
359.14813	3.4
365.64722	0.8
472.56726	0.8
505.20062	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08733	1.1
53.03944	2.1
55.01855	2.0
57.03438	12.1
57.61585	1.0
61.02905	3.3
62.99568	1.1
69.03417	5.6
69.75426	6.8
71.01360	1.2
73.02919	25.4
78.04726	3.2
79.05493	10.7
81.07069	1.0
85.02898	6.9
91.05460	3.8
95.04947	2.8
97.02898	5.0
103.05448	3.3
105.07028	8.1
106.04162	1.8
107.04953	22.8
115.03912	3.8
115.05460	3.9
118.04157	2.0
119.08576	2.4
123.04409	5.9
124.05177	4.1
128.06209	3.4
129.06993	5.1
131.04913	4.1
132.05661	3.1
133.06531	5.4
137.05977	2.0
141.07013	2.2
147.08093	2.8
149.05902	1.8
151.03883	1.8
152.04663	3.4
152.06049	1.3
153.05449	1.5
159.06642	2.0
159.08018	5.4
161.05981	10.4
167.07037	100.0
168.07362	1.6
169.06555	2.1
171.08078	2.0
175.07547	36.9
177.05489	2.0
184.05238	1.7
187.07544	16.2
189.09102	1.5
190.07758	1.9
191.07022	7.9
193.08614	12.0
199.07535	12.8
201.09154	2.9
202.07742	3.3
203.08473	3.2
206.07434	1.4
207.07973	1.2
215.08490	2.7
218.07237	4.3
219.08075	2.9
221.09593	2.4
225.85185	1.1
231.08032	4.0
232.08832	3.3
233.09575	4.8
235.07474	3.5
239.19029	1.4
243.08391	1.3
246.06837	2.8
246.33197	1.2
247.07515	3.9
249.09137	3.2
251.07126	2.4
259.07434	2.5
260.08304	2.6
261.09100	7.0
263.07068	2.1
266.09390	1.3
274.06268	1.4
275.06909	1.6
277.08676	2.8
278.09198	1.7
279.06519	1.5
281.11761	5.9
288.07504	1.2
289.08566	7.0
290.09146	1.7
291.10077	2.2
292.07272	1.5
293.11694	4.7
294.08759	1.3
299.71445	1.4
304.60699	1.1
306.08841	1.9
307.09482	3.0
309.11151	7.5
321.11154	15.5
322.11832	2.9
325.14423	2.9
326.11438	3.9
341.13885	19.4
353.13831	14.5
355.15524	1.6
355.30374	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2484
Annotation	Platanionoside F
Peak:m/z	Relative Intensity
69.03413	3.0
69.16452	16.9
69.16876	18.4
70.06546	2.7
79.05466	3.9
81.07056	5.8
84.51899	2.9
85.58205	3.2
91.05456	5.2
104.34394	3.2
107.08585	14.8
109.06499	6.4
109.10182	3.4
119.97380	2.8
121.10121	11.6
133.10135	100.0
135.08029	9.0
137.09621	61.1
137.48058	3.1
149.13252	11.8
191.14310	50.1
209.15295	14.6
267.51935	2.9
486.36700	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2485
Annotation	Platanionoside F
Peak:m/z	Relative Intensity
53.03934	1.5
55.01857	3.7
55.05500	2.4
57.03162	1.2
57.03431	15.6
58.29361	0.8
59.04982	1.4
61.02930	15.5
67.05493	3.3
69.03429	18.9
69.07065	8.2
70.79214	3.0
71.01345	2.8
72.08157	1.0
73.02914	97.6
79.05502	5.2
81.03396	3.6
81.07053	6.3
83.05004	1.2
83.08600	3.5
85.02900	33.5
87.04462	3.1
91.03952	1.4
91.05473	4.4
93.07044	3.7
95.04958	9.5
95.08610	5.2
97.02893	20.6
97.06530	4.3
99.04477	2.5
103.03940	1.9
105.07025	5.7
107.04958	4.6
107.08599	8.5
109.02899	2.1
109.06512	7.2
109.10123	2.5
115.03171	2.1
115.03925	21.0
117.06988	1.2
119.08562	4.2
121.06503	4.4
121.10130	3.8
122.07279	4.1
123.08064	23.0
123.11726	1.2
124.05147	1.2
127.03895	9.2
129.07030	1.8
131.08539	1.8
133.04968	18.3
133.06496	2.0
133.10083	6.0
135.04424	1.2
135.08055	32.2
135.11674	3.6
137.05998	5.9
137.09590	1.8
145.04938	10.8
145.10060	1.1
147.11658	2.9
148.08789	1.0
149.09612	1.9
149.13362	1.5
151.07503	1.0
161.05997	2.8
161.09689	1.2
163.03975	1.2
163.06039	1.9
163.11034	1.0
165.12749	23.3
167.05586	1.8
167.07014	13.0
171.06589	1.9
173.13300	1.4
175.07539	6.0
175.14839	4.8
176.11996	3.7
187.07501	2.2
189.07622	1.2
190.78133	1.1
191.14304	100.0
192.14687	2.2
193.14197	1.9
193.15866	16.9
199.07561	1.5
201.09096	1.2
207.13771	1.8
209.15349	18.5
217.04855	1.6
239.37804	1.0
244.15323	1.5
249.09274	1.2
283.09708	1.0
305.24649	1.4
309.11426	1.4
321.11316	2.3
323.18750	1.6
341.13690	1.7
341.19577	3.3
353.13855	3.5
353.19485	1.4
359.21140	1.2
360.92719	1.0
371.20599	6.1
503.18268	2.0
503.24890	38.1
504.25565	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02809	0.8
50.24527	0.7
50.60475	0.8
53.03933	1.9
55.01842	2.5
57.03423	2.6
61.02916	3.7
69.03428	20.2
69.86665	4.5
71.04990	7.0
73.02905	1.9
80.00030	0.7
81.03416	24.6
83.07796	0.8
85.02446	1.5
85.02904	19.6
87.04465	1.4
91.03910	1.1
94.18650	0.9
95.04990	1.2
97.02881	6.8
99.04457	8.3
109.02874	2.0
109.06458	0.9
117.05483	1.7
125.07854	0.8
126.23504	0.8
127.03898	3.1
133.07602	3.0
133.24352	0.9
145.04907	1.7
161.07106	7.5
163.08664	4.9
167.05539	1.3
189.06549	6.2
191.08118	5.2
207.07640	100.0
208.07970	1.3
219.07730	1.2
232.38713	1.0
249.08772	1.5
305.11353	1.8
323.12344	32.2
341.13406	92.1
342.14099	0.9
366.89059	0.9
503.18021	1.1
520.39294	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.2
55.12908	0.4
57.03428	0.7
57.32802	0.6
60.78073	0.4
61.02933	0.6
65.03902	0.4
66.04707	0.6
67.05486	0.6
69.03442	2.6
69.98329	1.3
69.98733	1.1
71.60978	0.4
73.02904	1.2
73.16142	0.4
74.06064	0.5
78.04742	0.5
79.05489	2.0
79.70645	0.4
81.03413	0.8
81.07042	1.5
85.02905	5.4
86.09685	1.0
91.05475	3.5
94.04179	3.3
95.04955	1.2
97.02893	2.0
98.20823	0.7
103.05454	1.9
104.06258	0.6
105.07027	5.8
107.04961	1.8
107.08589	0.5
109.02881	1.1
109.06533	2.0
115.05455	3.6
116.06236	0.6
117.07008	1.1
119.04942	1.3
119.08588	2.7
121.06516	0.7
122.03653	7.2
127.03915	1.2
128.06210	2.4
129.06996	2.1
130.04953	0.7
131.04930	2.0
131.08504	0.7
132.05708	2.0
133.06514	4.8
135.04391	0.6
137.05974	100.0
138.06322	1.3
143.04901	1.0
144.05779	0.6
145.04910	0.5
145.06503	1.0
145.10213	0.7
146.03613	0.6
147.04375	1.8
147.08058	2.8
149.05989	2.2
151.03879	0.7
151.07524	1.0
155.04962	0.7
156.05717	0.8
159.08087	2.6
160.05238	1.8
161.05977	14.4
162.06451	0.5
163.07504	1.2
165.06952	0.6
171.08041	0.9
172.05167	1.0
173.06003	0.6
175.07542	28.6
179.07005	1.3
181.04901	0.6
184.05101	0.9
187.07529	8.8
189.06949	1.1
189.09117	0.7
190.07730	2.6
191.06964	0.9
191.08527	6.0
191.14256	0.6
199.07523	8.4
202.07755	2.9
203.08589	5.2
207.07938	0.7
208.08948	1.3
209.15460	0.7
215.08633	0.5
217.08583	0.8
218.07324	1.6
219.08067	9.6
220.08743	2.4
231.08000	5.9
232.08795	1.8
235.07562	0.9
236.08351	2.3
246.06808	0.6
247.07513	4.5
248.08289	3.3
249.09158	0.8
251.06976	0.6
251.10664	11.2
253.08661	0.7
259.07541	4.2
260.08347	1.7
261.09058	1.4
263.10638	3.9
264.07782	1.5
264.11655	0.5
265.08594	1.2
275.06845	0.6
276.07806	1.6
277.08603	2.2
279.10147	10.5
280.10965	1.2
281.08270	0.7
291.10144	9.2
292.10980	2.3
293.08035	1.1
295.13303	1.0
296.10394	0.9
308.10391	1.7
310.77313	0.5
311.12766	21.3
312.13052	0.7
323.12790	12.7
323.16339	0.9
324.13052	0.7
341.13876	1.4
503.19553	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	501.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.7
57.03441	2.5
67.05500	2.0
69.03425	3.6
70.64426	2.7
70.64791	2.6
71.01349	1.7
72.83653	1.4
73.02914	3.2
78.04708	3.1
79.05473	2.5
81.07073	1.6
83.04971	1.2
85.02900	3.3
91.05495	2.7
93.07040	1.4
95.04971	2.4
95.08582	1.7
97.02881	3.1
97.06545	2.1
103.05479	1.6
105.07033	2.0
107.04965	5.2
109.02846	2.3
109.10146	2.4
113.25452	1.2
115.03925	1.6
115.15340	1.3
119.04870	1.3
119.08514	1.2
123.04436	10.5
124.05217	1.9
128.06229	1.4
129.06993	2.2
131.04956	2.6
133.02863	1.4
135.04381	1.4
137.05975	5.5
137.09636	2.5
141.06955	1.4
145.06435	1.9
147.04388	1.8
147.08105	1.4
151.03909	3.9
152.04739	1.5
154.35327	1.3
159.08035	2.1
161.05981	3.9
165.09157	1.7
167.07036	100.0
168.07346	1.8
169.06447	1.5
171.08051	1.5
173.06029	1.6
175.07556	6.1
177.05547	1.8
185.05911	1.9
187.07544	4.5
191.06953	2.6
193.08653	2.5
199.07512	15.1
202.07867	3.5
203.08629	1.5
205.06477	2.8
215.80095	1.5
218.07262	3.2
219.08075	3.5
220.08827	1.8
221.05829	1.5
230.07457	2.5
231.08031	8.6
233.05991	2.5
233.09784	1.7
234.06625	1.3
235.07484	1.8
237.08966	1.5
244.05240	2.4
245.05925	2.3
246.06778	4.9
247.07564	8.1
248.08409	5.0
249.09032	2.5
258.06860	4.9
259.07538	13.9
260.08356	5.5
261.05511	5.0
261.09045	3.6
262.10068	2.2
263.06897	1.5
263.10583	2.8
264.07834	2.8
265.08551	3.0
272.08353	1.6
273.05069	1.4
274.06281	1.8
275.07019	6.4
276.07736	11.0
277.08563	6.1
278.09177	1.5
279.10168	3.5
280.06808	1.6
287.07028	4.6
288.07755	3.2
289.05414	2.1
289.08444	8.0
290.09354	9.1
291.06967	2.5
291.10117	15.3
292.07309	2.4
293.08127	4.1
301.08502	1.8
303.06158	1.6
304.07233	5.9
305.08194	6.7
305.11215	1.4
306.08859	3.2
307.09641	3.5
308.10208	1.7
318.08841	2.1
319.09610	20.0
320.10440	5.4
321.07516	4.5
321.11230	5.0
336.09848	4.3
337.10849	2.6
338.11151	1.5
339.12354	5.0
351.12280	52.3
352.12888	1.5
353.14182	6.9
369.13419	4.2
483.16525	2.1
501.18347	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	500.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.6
57.07076	30.0
67.05489	5.0
69.07058	5.6
71.08243	2.9
71.08627	46.6
71.52118	2.4
73.06543	7.7
75.77176	1.7
79.05505	4.1
81.07053	3.8
87.04456	6.0
89.06028	100.0
91.05463	3.8
95.04971	1.7
97.10156	1.9
105.07011	2.5
107.07066	4.6
107.08522	2.0
113.13268	4.7
117.09126	5.9
119.08527	2.0
130.08632	4.5
133.08600	49.2
133.10115	2.2
157.10229	1.9
157.15891	6.4
162.58415	1.8
173.80887	1.6
177.11166	16.5
201.18477	12.8
201.36758	2.1
221.13716	2.8
245.20999	4.7
275.89267	1.6
327.20160	3.6
371.22684	2.8
483.35526	9.9
500.31061	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72468	0.3
57.03448	0.4
60.23407	0.3
60.90096	0.3
63.02377	0.4
67.05493	0.5
69.03406	0.4
70.89110	0.6
70.89442	0.3
71.04999	3.0
79.05483	0.7
79.31396	0.3
81.03430	0.4
83.04973	1.5
85.02900	4.1
89.03912	4.5
95.04976	1.0
97.17796	0.3
106.20015	0.3
107.04961	1.9
109.02805	0.4
110.07368	0.3
111.04458	1.9
117.03374	6.0
121.06453	0.4
123.04459	1.8
129.05479	2.0
133.05037	0.3
135.04413	14.7
137.68422	0.4
145.02849	9.2
147.04254	0.3
147.06519	0.5
151.03902	0.9
163.03899	100.0
164.04205	1.0
169.04953	0.4
177.05414	0.8
183.09804	0.3
192.18263	0.4
217.04987	2.2
233.04362	0.6
273.07504	0.8
291.08658	9.9
292.09070	0.3
309.09760	0.6
337.08890	0.5
356.60974	0.4
382.25375	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38718	0.2
62.28235	0.2
69.01721	0.2
69.03423	0.3
69.29150	0.3
69.29464	2.7
70.06605	0.4
76.04032	0.2
79.05486	0.3
81.03419	0.3
81.07034	0.4
84.04520	0.4
85.02908	1.4
91.05475	0.4
94.04174	1.3
94.04704	0.2
95.04976	0.5
97.02904	0.7
107.04951	0.6
109.02904	0.3
121.06486	0.4
122.03638	3.8
127.04000	0.3
137.05971	100.0
138.06308	1.5
147.04417	0.6
147.60287	0.3
149.05956	1.0
151.03923	0.3
151.07530	0.7
153.06989	1.0
178.08554	0.6
179.07053	1.0
181.06464	1.5
195.08109	0.3
209.05972	0.3
213.09076	0.9
225.09152	0.4
241.08511	1.3
253.08687	0.4
273.11163	4.8
285.11188	1.7
303.12155	1.2
351.16684	0.3
500.17950	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.3
56.05018	0.8
59.05006	0.4
60.08162	6.4
67.70056	0.3
70.06574	0.4
71.07365	2.8
71.51374	0.5
81.03417	0.4
81.07039	0.9
86.09706	29.6
93.25592	0.3
98.98469	2.8
104.10739	3.6
105.07034	0.4
108.31148	0.3
119.08576	0.4
121.10162	0.4
125.00002	21.5
131.08626	0.3
145.02795	0.5
149.49948	0.3
149.60866	0.3
163.01495	0.3
163.03911	1.4
165.60312	0.3
184.07341	100.0
185.07707	0.7
241.08353	0.3
287.05441	1.1
288.05896	0.7
320.05093	0.5
338.06155	0.3
345.24579	0.3
349.17862	0.4
389.21594	0.4
432.21408	0.9
450.22516	6.7
451.22803	0.4
482.25385	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01357	1.4
70.29854	5.7
76.13779	1.5
101.00871	13.5
103.02473	2.4
109.02863	1.6
113.00862	4.3
119.01923	26.3
121.03471	1.7
127.02407	11.4
131.01912	16.3
133.03459	2.1
137.02950	3.2
139.02435	2.2
142.89474	1.6
143.01894	24.5
145.03479	49.0
147.01408	3.2
149.02946	4.2
155.01907	28.2
157.03465	17.9
158.65111	1.5
161.02977	24.0
163.04539	6.5
167.01866	8.0
169.03508	5.5
171.01431	6.5
171.05049	5.7
173.02974	52.3
175.04544	7.0
179.01953	4.2
181.03387	2.1
185.02972	51.2
187.04590	7.0
189.02423	9.7
191.03954	2.1
197.02950	20.3
199.00926	5.9
199.04533	3.5
201.02536	2.7
203.04042	14.0
208.04642	1.8
209.02962	3.6
215.03996	15.1
217.01944	57.0
217.05402	2.4
220.04637	1.4
221.05081	5.9
225.02344	1.8
227.04080	10.4
229.01996	13.5
229.05583	1.9
235.03004	26.8
239.03984	2.9
245.05089	100.0
246.05276	2.1
247.03000	15.5
247.06714	3.5
253.04094	1.9
257.05093	12.8
258.04602	1.7
263.06146	13.4
265.04105	3.4
275.06113	13.5
277.04092	23.8
293.07175	5.9
301.03937	10.5
305.07187	11.6
307.08746	5.3
319.05099	30.7
335.08267	4.9
337.06158	34.0
338.06418	1.8
365.09344	9.2
472.59729	1.6
481.10309	2.4
499.11502	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	499.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
62.27398	1.2
67.99879	1.0
68.85976	0.9
69.03442	1.3
70.33772	2.1
70.34180	2.9
70.99854	1.2
74.01600	1.2
77.00908	1.1
78.57562	1.1
82.99440	1.3
82.99891	3.6
85.01424	1.4
85.02923	1.7
87.47903	0.9
94.99871	1.7
97.02897	1.4
98.97605	1.2
101.00882	15.7
103.02454	3.9
111.84292	1.1
113.00871	7.4
119.01929	37.4
120.77873	1.1
121.03474	1.7
127.02427	11.3
129.00237	1.2
129.03996	1.9
131.01918	20.8
133.03484	4.2
137.03000	4.0
139.02441	3.5
142.03479	1.4
143.01900	24.8
145.03473	60.8
146.03543	1.2
147.01378	3.8
149.02954	3.2
151.04497	1.2
155.01900	30.6
155.84186	1.0
157.03473	22.2
161.02972	27.3
163.04562	6.5
167.01891	11.3
168.05113	1.5
169.03476	5.3
170.99997	1.0
171.01398	6.0
171.05006	5.9
173.02969	57.9
174.03085	3.0
174.99170	1.9
175.04590	6.6
175.16380	1.0
179.01917	4.4
183.01411	1.8
183.05090	1.1
184.04666	1.9
185.02968	52.6
187.04527	7.6
189.02434	9.9
191.02010	1.2
191.04034	3.6
193.00230	2.6
193.01868	1.7
196.04631	1.6
197.02969	18.5
197.04616	1.9
199.00879	4.0
199.04500	5.3
201.00716	1.7
203.04013	15.8
205.05634	2.2
209.02945	4.7
211.04544	2.5
215.03963	11.6
217.01944	59.8
217.05414	2.1
218.02155	1.2
221.05003	6.1
227.03972	10.8
229.01950	10.9
233.05136	1.2
235.03011	19.3
239.03998	2.4
241.05794	1.1
245.05084	100.0
246.05273	4.2
247.03020	13.6
247.05417	1.2
247.06705	3.1
252.71671	1.2
253.04126	2.4
257.05029	11.8
258.04541	1.3
261.02896	1.1
263.06116	13.7
265.04022	2.1
275.06122	15.6
277.04077	20.8
277.07059	1.1
293.07248	4.1
295.05176	1.2
295.08640	1.7
301.04065	12.7
305.07233	10.0
307.08771	4.3
319.05136	22.9
320.05508	1.5
321.04776	1.3
335.08292	5.0
337.06183	29.0
337.10040	2.3
347.08200	1.3
365.09238	8.6
439.12863	2.8
444.49249	1.1
487.17023	1.1
493.67673	1.1
499.11325	24.8
500.12021	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.3
55.05502	2.3
57.03432	2.8
61.02945	1.6
67.05493	2.4
69.03416	5.0
69.07062	1.8
69.49856	10.7
70.06567	2.3
71.51052	1.1
73.02886	2.2
79.05483	4.8
81.03409	4.2
81.07074	1.8
85.02905	13.1
87.04472	1.4
91.05479	4.4
93.07056	3.0
95.04977	3.1
95.08602	3.5
96.08094	2.3
97.02871	6.2
97.06519	3.2
98.21513	1.7
105.07023	4.5
106.06525	1.9
107.04950	3.0
108.08100	5.2
109.02873	3.0
110.06062	1.5
110.09682	1.4
111.04380	1.5
116.72288	1.3
117.07014	2.6
119.07302	1.2
121.06503	1.6
122.09599	1.9
124.07604	8.8
126.09142	2.4
127.03951	2.1
129.07082	1.7
132.08089	1.7
133.06511	7.4
134.09636	1.6
135.04420	19.5
136.07570	2.0
136.11218	9.0
137.05977	2.7
138.09132	10.6
144.08058	1.6
145.04996	1.8
145.10072	1.7
146.06015	2.2
146.09628	2.9
147.04404	2.2
150.09108	4.2
151.09920	1.3
157.13472	1.5
160.07518	2.3
160.11212	1.8
161.05940	4.3
161.09581	1.6
162.09109	2.4
163.03862	3.8
163.07616	1.5
164.07027	1.5
164.09340	2.8
164.10713	54.4
165.05443	2.9
167.07027	11.8
174.09171	6.3
176.10690	3.1
178.12248	4.5
179.07063	1.3
184.90442	1.8
188.10667	7.8
188.14308	2.1
190.12215	11.6
190.15836	2.3
200.10643	1.6
202.15942	1.8
206.11781	4.4
216.10303	13.9
216.13806	25.1
218.11794	6.9
218.15388	12.4
228.13815	1.6
230.15353	4.4
234.11267	43.3
240.13808	9.5
244.13268	1.4
248.12852	5.4
256.13290	2.1
258.14917	18.6
268.13297	8.5
285.10144	1.6
286.14371	67.2
290.17404	2.3
300.15936	5.7
304.15451	53.9
313.11829	5.2
318.16977	50.3
318.20685	1.9
336.18036	100.0
341.11465	2.1
373.13861	9.6
406.69562	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	498.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	4.7
55.05510	9.5
57.03429	9.3
60.65683	2.2
61.02927	4.1
67.05505	11.5
69.03425	3.8
69.07058	2.5
69.17892	18.7
69.18301	4.3
70.06588	3.6
73.02924	2.6
75.20045	2.0
79.05495	8.0
81.03417	11.2
81.07064	8.6
82.04191	2.8
83.04980	5.9
83.08611	7.6
84.02126	2.3
85.02905	5.4
85.06606	2.1
91.05482	9.3
93.07037	7.2
95.04972	8.6
95.08598	4.4
97.02891	4.5
97.06534	3.8
97.10163	6.9
98.07318	3.6
98.21507	5.1
100.85680	2.3
105.07037	5.7
107.08607	6.3
109.10181	3.4
111.08127	2.2
116.04710	7.4
119.08562	5.1
123.08112	2.5
125.09631	10.0
129.05492	17.7
133.10103	3.0
143.07076	4.9
145.10161	2.2
148.77733	2.5
157.08594	8.7
163.03905	3.7
165.05370	2.2
172.77161	2.3
179.34547	2.0
189.11183	5.9
193.12215	2.2
211.15100	2.4
211.49994	2.1
227.12775	26.3
267.16046	3.0
283.15491	3.5
301.16458	100.0
370.04678	2.9
412.41953	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	498.379
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	0.4
55.05512	1.4
57.03436	6.8
58.06601	28.1
59.04992	0.4
59.07383	9.4
60.08165	8.5
67.05506	5.9
68.73478	0.3
69.07069	1.7
69.97206	1.4
71.39535	0.3
73.02885	1.2
75.04486	4.0
79.05500	1.5
81.06615	0.3
81.07053	4.3
83.08591	0.7
85.02538	0.2
85.02908	2.5
87.04466	4.7
91.05476	0.7
93.05482	0.4
93.07016	1.2
95.04929	0.4
95.08624	3.0
97.10140	0.5
97.51326	0.3
100.11228	0.3
102.05497	0.4
103.03939	0.8
105.05487	1.0
105.07034	0.7
107.08583	0.7
109.10117	0.8
113.05944	0.4
123.11727	0.3
131.07024	2.0
133.10109	0.3
144.10199	7.8
147.11703	0.3
159.06534	0.6
162.11243	4.1
184.07216	0.3
218.13927	0.5
236.14926	100.0
237.15248	0.9
291.19687	0.4
393.30051	0.3
407.50400	0.3
432.09787	0.3
480.36868	23.2
481.37247	0.6
498.37897	69.1
499.38559	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19540	0.8
53.03943	1.6
55.05511	1.4
57.03428	1.7
58.33668	0.8
61.02919	2.5
67.05493	2.1
69.03435	8.3
69.07044	2.1
69.67239	0.9
70.06582	1.3
71.04982	1.0
71.51089	1.3
79.05508	4.6
81.03404	3.7
81.07053	2.9
83.08632	1.2
85.02913	11.5
85.39356	0.8
87.04469	1.2
91.05482	2.9
93.07028	3.1
95.04971	1.0
95.08585	1.4
96.08125	1.9
97.02897	4.8
97.06533	2.2
103.05471	1.7
105.07024	5.7
107.04941	3.0
108.08129	1.0
109.02868	3.2
109.06519	1.1
110.01855	0.9
110.06029	2.0
110.09684	1.0
117.06989	1.6
118.06555	0.8
119.04926	1.1
119.08617	1.3
120.08058	2.0
121.06551	1.6
122.09656	1.8
124.07591	10.0
125.08375	1.2
126.09155	2.1
127.03904	2.8
131.04938	1.4
131.08545	1.3
132.04466	1.5
133.06519	5.5
135.04413	18.0
136.07585	1.9
136.11198	6.8
137.05981	2.8
138.09135	10.2
138.10117	1.3
139.03876	1.4
145.06497	1.1
145.10097	1.6
146.06015	1.3
146.09692	1.5
150.09134	3.2
152.10756	1.5
158.06104	1.0
160.07539	4.2
160.11195	1.4
161.05991	3.5
161.09666	2.5
162.09135	3.7
162.12811	1.3
163.03914	5.2
164.10718	68.7
165.05524	2.1
167.07031	7.5
174.09166	4.4
175.09944	1.2
176.10704	3.7
178.12309	4.5
179.07057	1.0
187.09944	1.4
188.10692	10.3
188.14336	2.2
189.11253	0.9
190.08667	1.3
190.12263	10.3
190.15907	2.3
198.09366	0.9
200.10780	1.0
202.12122	1.1
202.15921	1.3
204.14064	0.8
206.04523	1.4
206.11743	5.5
211.09807	0.9
212.14323	1.2
216.10266	12.6
216.13821	22.3
217.08836	1.2
217.10893	1.4
218.11838	10.9
218.15364	11.2
228.10231	1.0
228.13782	1.0
230.15427	5.0
234.11256	59.9
235.11757	1.0
240.13896	6.2
244.09738	1.0
245.10330	1.3
248.12862	5.2
256.13342	4.1
258.14917	13.6
266.13760	1.5
268.13336	9.7
276.15900	1.0
286.14374	57.7
287.14600	1.2
300.15924	2.4
304.15442	76.3
305.15808	2.0
318.17001	29.7
336.18051	100.0
337.18311	2.7
407.42426	1.1
438.16354	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	498.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.4
55.01871	1.3
55.05505	1.5
57.03426	2.7
61.02937	1.6
64.49090	0.7
65.01910	0.7
67.05505	2.7
69.03436	6.4
69.07061	2.6
69.37847	0.7
69.96069	4.7
71.04981	1.9
79.05500	5.0
80.51759	0.7
81.03413	3.7
81.05806	0.8
81.07059	2.8
83.08617	0.9
85.02903	9.6
87.04480	1.6
91.05465	3.7
93.07071	3.8
94.06583	0.9
95.04982	2.8
95.08605	1.7
96.08132	2.3
97.02899	4.8
97.06535	2.9
99.04437	1.1
105.07008	6.1
106.06514	1.0
106.81013	0.7
107.04959	2.9
107.08562	0.9
108.08109	2.9
109.02879	4.3
109.06531	1.4
109.10146	1.4
110.06068	1.5
110.09647	1.2
115.05470	1.0
117.07032	3.6
118.06554	0.7
118.27821	0.8
119.04948	0.7
119.08589	1.7
120.08070	1.1
121.06535	2.2
121.07389	0.9
122.09660	1.8
123.04453	1.1
123.08077	1.3
124.07599	8.7
125.08392	2.1
126.09171	1.5
127.03906	3.1
131.08614	1.4
132.08037	0.9
133.02951	0.9
133.06490	7.1
134.09662	1.4
135.04405	19.3
136.07622	1.9
136.11220	8.0
137.06001	1.0
137.09584	0.9
138.09138	9.7
143.08578	1.2
145.06468	1.6
145.08937	1.0
145.10065	1.1
146.09554	1.1
150.09148	3.8
152.10692	1.4
155.76845	0.8
158.09647	1.3
160.07576	2.0
160.11220	2.3
161.05984	2.8
161.09709	1.3
162.09166	3.8
162.12799	1.2
164.10715	64.0
165.05492	2.4
167.07060	8.2
173.12016	1.0
174.09120	6.4
176.10680	4.4
178.12285	4.8
179.06958	0.9
187.09938	0.9
188.10730	8.5
188.14323	3.8
189.11394	1.0
190.12300	9.6
190.15895	2.3
191.07162	0.8
198.12788	1.4
200.10843	0.8
202.08644	1.5
202.12230	1.5
202.15921	2.5
206.11784	5.0
212.14378	1.7
214.08720	1.6
214.12283	1.3
216.10315	12.0
216.13823	29.0
217.10942	1.9
218.11780	7.9
218.15361	12.9
224.10815	1.2
225.11403	1.0
226.12329	1.3
228.13809	1.6
230.11855	1.0
230.15359	6.9
234.11252	43.7
238.12538	0.9
240.13820	8.9
241.12195	1.0
242.11740	1.2
244.13348	0.8
248.12910	4.0
256.13400	2.5
258.14914	20.1
262.49164	0.8
266.13971	1.4
268.13293	11.7
275.90369	0.9
276.15958	1.2
286.14380	70.5
287.14810	1.8
290.17334	0.9
300.15857	5.3
304.15436	62.1
305.15833	1.6
305.95920	0.9
313.11868	2.4
318.16998	46.3
319.17133	1.1
336.18051	100.0
337.18350	4.2
341.11462	1.4
362.10458	0.8
373.13910	5.0
448.19568	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60305	1.8
53.03946	6.2
55.01875	2.6
56.05030	2.4
57.03427	3.7
61.02913	4.9
65.03942	1.5
65.27591	1.6
67.05498	9.4
69.03429	14.5
69.15407	13.1
69.15816	4.4
70.06592	3.3
71.05013	2.4
73.02920	2.0
79.05500	14.5
80.05012	3.7
81.03413	6.9
81.07063	14.7
84.08136	3.7
85.02901	30.7
86.09676	1.9
87.04483	1.9
89.03954	1.7
91.05480	9.6
93.07050	3.2
94.04179	2.4
94.06577	7.2
95.04961	23.7
96.08130	9.1
97.02889	11.8
99.04507	2.4
102.30221	1.4
103.05449	2.6
105.03381	1.9
105.07024	2.9
106.06557	4.9
107.04951	19.9
107.08617	1.9
108.08131	25.4
109.02880	4.3
109.06518	4.0
109.08891	3.8
109.10165	1.9
110.06052	2.3
110.09653	3.1
111.04434	2.3
115.03926	2.8
115.05428	3.3
117.07051	1.8
118.06544	2.3
119.04923	2.5
120.08105	4.3
122.09667	2.5
123.04419	8.0
124.07591	2.0
126.09151	2.9
127.03905	5.5
128.07106	2.8
129.07034	1.8
131.04967	2.4
132.08119	2.4
132.91644	1.5
133.02881	4.3
134.09639	6.3
135.04410	45.2
135.08102	2.2
136.07567	21.3
137.06001	6.7
138.05447	9.6
139.03908	4.2
140.07045	12.8
141.06976	1.8
145.02855	3.0
145.04961	2.4
146.05972	1.7
146.09668	2.0
149.06020	3.1
151.03889	12.1
151.11205	1.7
152.07086	9.9
153.05461	3.7
154.08627	47.7
154.09843	2.8
158.09682	3.0
159.04401	2.0
160.07590	4.0
160.11259	3.4
162.09125	7.1
162.12764	2.6
163.03909	21.6
163.07555	27.1
164.07050	2.0
164.10706	4.9
165.05473	100.0
166.05936	1.7
167.07045	13.7
169.12238	8.1
174.09175	1.9
177.05522	3.6
178.08641	1.7
180.10220	4.1
182.08157	7.1
183.06477	3.2
184.07401	4.6
186.09146	2.8
186.12738	3.1
187.13277	3.4
188.07111	2.8
188.10730	3.0
190.08658	10.9
190.12283	2.4
192.10172	5.6
196.09697	2.5
202.12289	2.1
206.08240	1.7
206.11757	2.8
214.08696	2.6
214.12241	2.7
218.08162	2.0
218.11797	2.6
222.11237	2.1
230.08026	1.8
230.11763	4.4
232.09637	1.7
232.13330	3.6
234.07594	16.7
234.11234	3.2
236.09135	3.4
237.02864	1.6
240.10324	2.3
242.11754	4.3
244.70361	1.8
246.14871	2.0
258.11362	9.1
260.12866	12.5
266.10257	6.3
274.14490	5.3
276.12140	2.2
279.68631	1.5
286.10812	6.7
286.73917	1.7
290.13962	1.8
304.11798	71.3
318.13379	15.9
336.14398	43.3
345.91641	1.6
396.09103	3.4
396.17712	1.7
480.11493	3.8
498.12695	2.8
498.24832	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	497.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	9.7
53.61435	2.5
55.01872	11.4
55.04910	2.2
55.05516	25.2
57.03433	34.5
57.07079	2.5
59.21041	2.0
61.02927	75.6
65.03937	4.4
67.05503	100.0
69.03431	53.1
69.03808	1.6
69.07072	25.8
69.29568	9.5
69.29996	12.5
71.01355	4.9
71.04984	9.2
73.02917	38.0
75.04489	4.5
79.05495	52.1
80.98061	2.1
81.03414	36.6
81.07057	98.8
81.07536	4.8
83.04971	8.2
83.08611	12.3
85.02905	79.5
85.06528	3.9
86.09702	2.3
87.04486	5.1
91.03954	42.5
91.05479	46.5
93.07040	76.4
95.04951	8.6
95.08605	70.6
97.02891	66.1
97.06519	3.8
97.10157	6.6
98.21542	4.0
99.04454	17.7
101.02405	15.9
103.03928	13.7
105.04531	2.8
105.07030	36.0
107.04966	2.4
107.08598	34.1
109.02887	15.2
109.06516	6.9
109.10156	38.2
111.04398	3.4
111.08082	3.0
115.03912	5.7
117.05556	4.9
117.07011	13.2
119.08576	29.2
121.10149	37.0
123.08102	5.8
123.11701	12.3
124.99966	2.2
125.09625	3.8
127.03924	31.8
129.05455	6.3
129.06972	5.4
131.08565	19.0
133.06522	3.6
133.10135	23.0
135.08055	5.7
135.11696	26.6
137.09596	3.5
137.13243	3.3
141.06999	2.8
143.08591	4.7
145.04953	10.7
145.10109	18.2
147.11671	14.4
149.09653	3.0
149.13225	15.3
151.11176	3.3
155.08504	3.0
157.10175	4.8
159.08124	2.4
159.11665	13.1
161.13268	9.5
163.14824	6.3
169.10109	4.3
171.11707	3.8
173.13286	8.3
175.14853	4.3
183.06578	6.5
184.07401	4.4
185.13231	2.8
187.14812	8.2
193.10402	2.6
195.11613	2.9
197.13193	3.8
201.07597	6.1
205.15878	2.6
209.13382	2.5
213.16501	2.6
243.21091	6.4
259.20660	3.7
261.22089	21.6
277.21677	3.8
327.23035	2.9
335.25787	86.7
363.25317	6.1
369.24136	5.2
387.25391	4.7
405.26343	3.5
422.75455	2.4
443.27652	2.8
461.29041	4.1
472.26376	2.4
479.30176	7.7
497.31265	29.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	10.4
55.01850	6.3
55.05506	25.4
57.03434	33.1
57.07074	4.6
61.02922	69.1
62.37157	1.6
65.03927	4.9
67.05502	100.0
69.03423	47.7
69.07060	22.0
71.01335	6.5
71.04967	5.8
73.02910	31.6
79.05487	58.4
80.64721	1.6
81.03419	22.5
81.07051	99.9
83.01298	1.9
83.04961	6.6
83.08617	10.6
85.02899	64.6
85.06540	4.0
87.04441	2.8
91.03951	45.4
91.05473	45.8
93.07038	70.2
95.04991	10.1
95.08602	76.4
97.02308	3.6
97.02886	56.1
97.06498	6.7
97.10133	4.0
99.04444	11.8
99.08076	2.2
100.73410	1.9
101.02364	14.5
103.03925	8.3
105.04508	2.0
105.07024	35.3
105.07716	3.6
107.04903	2.5
107.08593	35.3
109.02874	12.3
109.06494	4.3
109.10141	32.4
111.04416	3.5
111.08012	2.8
115.03909	3.9
115.05360	1.8
117.06994	15.5
119.08572	26.8
121.06510	4.1
121.10138	37.8
123.08015	3.5
123.11675	10.7
125.09579	2.0
127.03909	26.4
129.05470	6.9
129.07004	3.4
131.08557	18.9
133.10123	22.9
135.08072	2.9
135.11687	20.8
136.46196	2.0
137.09569	3.6
137.13249	3.0
141.07004	2.7
143.08556	4.2
145.04929	9.8
145.10107	15.9
147.08041	3.5
147.11671	18.2
149.09586	3.4
149.13274	13.9
155.08554	2.7
157.10074	2.4
159.06497	2.5
159.11678	15.8
161.13251	9.2
163.14818	5.6
171.11647	5.0
173.13278	10.5
175.11217	2.4
175.14784	2.6
177.12814	2.0
179.14323	2.2
183.06534	2.2
185.13283	4.0
187.14778	5.0
197.13206	2.0
201.07552	6.3
205.15813	2.4
213.12758	2.4
222.44841	1.9
243.21013	6.2
259.20407	2.7
261.22128	21.6
271.20654	2.1
273.22134	2.7
299.39285	2.4
303.23230	3.4
317.24719	2.2
327.22934	3.0
335.25757	71.0
345.24094	3.1
351.23157	2.3
363.25012	2.9
369.24017	3.9
419.28116	2.0
443.27954	2.8
461.28827	5.5
479.29953	3.3
497.31171	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	497.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.4
55.05512	3.5
63.25040	0.2
63.31212	0.3
68.99757	0.3
69.07054	0.5
69.20894	1.8
69.21317	1.2
79.05476	0.7
81.07031	0.6
83.08594	0.4
85.02903	0.4
86.09695	0.3
91.05491	0.4
95.04993	0.3
109.10118	0.3
115.78487	0.3
127.03857	0.3
130.55090	0.3
137.05959	0.5
139.03819	0.4
153.01849	3.3
197.05949	0.4
211.07594	0.5
221.05890	0.4
233.04340	0.5
253.04955	0.5
265.04968	0.7
267.06479	1.1
277.04971	0.5
281.04422	0.7
285.13205	0.5
295.06079	2.5
297.03970	1.0
298.04742	0.9
299.05536	0.6
309.07516	0.4
310.04605	0.6
311.05502	12.1
323.05490	100.0
324.05914	2.7
325.07028	0.7
335.05426	0.6
335.16934	0.6
337.07034	3.8
349.07108	3.6
351.08618	0.7
353.06421	0.3
358.73160	0.3
361.06961	0.3
363.08932	0.4
407.14874	8.1
417.13327	1.1
435.14383	65.1
436.14783	2.2
451.17249	0.3
453.15451	12.3
454.16003	0.5
479.16971	4.9
497.17975	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	497.0912
Annotation	Hibiscetin 3-glucoside
Peak:m/z	Relative Intensity
56.96548	3.8
62.57491	2.2
69.03424	9.4
71.24643	4.8
71.86735	2.0
73.02923	3.0
81.03419	3.8
85.02892	18.8
87.04433	2.3
91.05465	1.9
93.64368	2.2
95.04968	2.2
97.02903	11.7
98.97586	13.3
107.04955	4.7
110.97556	3.5
116.98621	12.0
119.01901	12.7
119.04946	3.9
127.03934	4.9
131.01897	7.8
133.05022	2.3
134.99625	2.5
135.48900	2.1
137.02940	2.8
137.05965	26.6
143.01868	6.3
145.03506	5.3
145.04980	4.7
146.99623	4.6
147.04413	29.0
155.01842	4.4
156.97461	7.1
158.99625	3.9
160.02184	2.8
161.02930	9.5
161.06575	2.3
161.74965	2.3
172.95360	2.7
173.02966	7.3
173.06615	3.8
174.98557	15.7
177.00705	9.3
179.07112	7.5
180.97505	6.9
181.03459	2.6
185.02957	2.5
189.05499	2.9
195.05035	6.4
196.02155	6.4
197.02887	3.1
198.98526	70.5
199.00349	3.9
203.03935	3.2
203.07661	4.0
210.98590	4.0
213.05943	2.8
215.07654	4.8
216.99635	30.5
219.01843	4.8
219.05026	10.9
221.03148	3.5
221.05070	10.1
223.04468	4.0
225.00243	2.7
234.98550	9.0
237.02690	12.7
237.06003	11.2
240.99565	15.4
244.04227	33.5
245.05090	6.8
247.04555	6.6
249.05858	3.7
252.99547	4.5
257.00592	2.3
259.00513	13.2
261.06119	7.2
262.05313	5.5
264.04739	5.3
272.08313	2.7
275.01620	12.3
279.07077	8.7
281.08884	2.5
283.00552	11.5
284.99994	2.6
299.07751	5.6
301.01596	17.4
302.08728	2.6
303.01132	4.4
305.02600	5.4
305.10748	7.6
307.06705	4.1
309.08371	8.5
317.02695	7.9
319.02319	2.5
321.08298	8.9
335.03976	10.8
348.06842	16.3
349.07654	5.9
353.04782	2.5
363.09329	5.5
367.08752	5.2
381.10336	16.4
399.11365	11.5
417.11902	3.3
437.14191	3.0
479.07870	33.0
497.08875	100.0
498.09329	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	496.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.1
55.59703	0.1
56.05035	0.5
57.03425	0.3
57.07070	0.8
58.06627	0.4
59.07384	0.2
60.08159	6.1
67.05480	0.2
69.07059	0.2
69.44469	0.6
70.06595	0.2
71.07368	2.6
71.08633	0.5
81.07014	0.2
83.08615	0.1
85.10171	0.3
86.09699	29.7
87.10016	0.1
95.08593	0.3
98.21502	0.1
98.97799	0.1
98.98457	2.8
104.10734	3.0
105.59084	0.1
109.10121	0.1
116.96510	0.1
124.99995	20.5
125.55614	0.1
143.01064	0.3
158.80009	0.1
163.01471	0.1
166.02655	0.1
184.07327	100.0
185.07666	0.6
189.13116	0.1
258.10995	0.3
304.93375	0.1
313.27277	0.2
478.32877	1.0
496.33917	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	496.3393
Annotation	PC(16:0/0:0)[U] / PC(16:0/0:0)[rac]
Peak:m/z	Relative Intensity
56.05025	1.2
57.07066	2.5
58.06591	1.5
60.08160	14.8
67.05495	1.1
69.07077	0.8
70.06580	0.6
71.07367	5.8
71.08624	2.1
79.59737	0.6
81.07079	0.6
84.65453	0.6
85.10152	0.9
86.09702	47.4
89.73106	0.6
95.08590	1.3
98.21519	2.1
98.98462	3.4
104.10736	100.0
104.41457	0.6
105.11069	0.6
109.10137	0.9
124.99992	27.2
137.69478	0.7
182.91641	0.6
184.07330	95.5
229.55545	0.8
235.23387	0.7
258.11258	0.9
313.27316	1.5
419.25516	0.8
478.32977	9.2
496.33905	26.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3629
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35593	0.6
53.03931	0.9
55.05502	1.8
57.03434	6.8
58.06596	26.7
59.07376	8.8
60.08163	7.9
61.93810	0.7
63.41401	0.7
66.61267	0.8
67.05492	5.2
69.07062	0.7
72.14465	0.8
73.02892	1.4
75.04451	2.3
75.71439	0.6
77.16103	0.6
79.05455	2.3
80.52847	0.7
81.07039	3.6
81.33974	0.8
83.08583	0.9
83.40120	0.7
85.02874	2.7
86.09677	1.5
87.04448	4.8
91.05479	1.9
93.07018	3.0
94.27699	0.9
95.08571	3.1
97.70903	0.8
104.10735	1.0
107.08547	1.9
109.38366	0.7
121.10110	1.2
124.99964	0.9
128.36064	0.7
131.06979	2.0
141.85725	0.7
144.10210	6.2
161.01570	0.7
162.11220	4.0
184.07294	1.7
190.96124	0.8
218.13904	0.9
229.57295	1.2
236.14912	100.0
237.15288	1.5
285.86731	0.8
473.19324	0.8
478.35257	22.6
478.41681	1.5
479.35806	1.1
496.36319	62.9
497.36292	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	496.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.0
55.01855	4.1
55.05511	8.0
55.38037	4.4
57.03429	15.3
60.04528	5.2
61.02911	10.1
63.97890	3.9
67.05495	5.4
69.03425	31.3
69.57270	4.2
70.06360	15.9
71.01342	5.6
71.04996	5.6
72.40551	3.9
73.02912	42.5
75.04475	15.0
79.05486	9.3
81.03419	9.9
81.07042	15.2
83.08595	4.3
83.24925	4.1
84.52344	3.6
85.02905	59.4
87.04484	7.2
91.05480	10.7
93.07042	76.6
95.04977	14.0
95.08595	14.9
97.02891	48.3
97.06506	7.4
98.09718	5.1
99.04417	4.1
100.11281	10.4
105.07043	4.8
107.08573	7.5
109.10142	4.7
111.08061	17.3
115.03959	23.9
117.01066	3.8
119.08577	8.6
121.10144	100.0
123.08075	5.7
126.09130	9.4
127.03895	23.0
133.04936	22.1
139.11176	18.9
140.10696	8.4
145.04929	19.8
147.11653	4.2
149.09610	16.9
151.03854	7.0
161.09697	4.6
163.06017	10.6
167.10677	58.2
178.66652	4.3
182.15344	5.4
190.16220	3.8
191.10571	4.8
209.11723	9.2
210.14748	4.5
213.75330	3.8
217.12263	5.2
223.06134	5.1
230.82689	3.6
241.07210	5.7
245.11742	5.8
246.14928	4.1
259.08087	4.6
281.13861	10.4
295.10254	7.3
302.12259	4.1
431.30377	4.4
442.31516	6.9
460.32544	5.9
479.31720	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	496.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.3
53.46565	1.3
55.01877	1.8
55.05505	1.8
57.03423	4.1
61.02917	5.6
65.03965	1.5
67.05495	3.9
69.03427	16.8
69.07046	1.5
70.06584	2.3
70.42714	1.3
71.04961	1.5
71.46811	1.6
71.47165	2.3
73.02912	4.0
74.02412	1.9
79.05470	3.5
81.03415	7.2
81.05766	1.5
81.07056	3.8
83.01360	2.1
83.04967	2.0
85.02906	32.4
86.09742	3.4
87.04478	2.8
91.03924	2.2
91.05477	4.8
93.07008	1.7
94.06528	2.3
95.04941	4.5
96.08130	4.6
97.02885	15.3
97.11903	1.3
99.04495	2.6
103.05472	1.5
105.07026	3.6
106.06552	2.4
107.04969	2.4
109.02875	5.3
111.04441	1.8
115.05465	2.0
117.07012	1.5
122.06105	1.7
122.09651	2.2
124.07578	20.0
127.03928	7.6
129.07007	2.0
129.21886	1.2
130.06520	8.2
131.04942	3.0
131.08603	2.5
132.08084	2.1
133.02858	1.7
133.06413	1.9
135.04350	1.7
136.07558	4.2
137.05992	3.2
138.09146	2.3
139.03882	11.1
141.06923	1.9
144.08070	3.5
145.04938	4.3
146.05995	5.8
148.07590	4.3
148.11217	1.8
149.06001	1.4
150.09132	7.7
151.03886	2.0
151.09904	6.0
152.10689	8.3
158.06082	6.6
158.09659	3.2
159.04462	1.8
160.07588	4.9
162.09142	13.4
164.07022	2.6
164.10812	1.7
165.05502	23.5
170.09624	3.8
171.10410	4.6
172.07556	3.8
174.09106	5.1
176.07065	1.6
176.10701	27.4
184.07431	4.4
185.08238	1.8
186.09142	12.0
186.12711	7.8
187.09898	4.3
188.07066	3.0
188.10693	10.4
195.10420	1.6
199.09932	2.9
200.10617	2.0
204.10153	13.7
210.12854	1.8
214.08914	9.6
214.12247	49.6
216.06410	1.9
216.10271	3.1
216.13826	24.4
228.13821	10.2
232.09682	36.3
232.13182	2.3
234.11298	2.1
238.12245	8.0
239.10591	3.3
246.11259	5.4
247.11937	1.6
248.09000	2.8
254.11694	2.3
254.81209	1.7
256.13324	17.3
266.11722	5.1
267.10248	2.7
269.09647	1.7
284.12787	76.1
288.15897	5.7
298.14282	7.0
302.13855	34.0
303.14276	1.8
316.15436	48.0
317.15753	1.7
334.16470	100.0
335.16821	3.4
363.19128	2.5
371.12338	4.3
391.18704	1.7
400.28473	1.5
436.20901	1.7
464.19470	3.3
471.39243	1.6
496.13437	1.6
496.22897	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.4
55.01862	1.9
57.03428	2.8
60.92288	0.7
61.02920	5.1
64.91680	0.6
67.05480	2.3
68.15233	0.7
69.03427	14.4
69.81525	3.6
71.04980	1.7
73.02917	1.9
79.05487	1.9
81.03429	6.3
81.05771	1.1
81.07021	1.0
83.04940	1.1
85.02901	29.6
87.04446	2.8
91.03951	2.5
91.05474	2.8
93.07072	0.7
94.06591	1.0
95.04955	3.4
96.08112	2.2
97.02882	12.4
97.06536	0.7
99.04446	2.4
99.24522	0.8
103.05425	0.9
105.07016	2.2
106.06557	1.2
107.08540	1.3
109.02869	4.3
117.07048	1.0
120.08072	1.0
122.06021	1.0
122.09681	1.6
123.04419	1.6
123.06823	1.1
124.07590	17.8
125.08354	0.9
127.03914	8.3
129.07014	0.8
130.06511	6.2
131.08568	1.6
132.08070	1.7
133.06520	1.5
135.04364	1.4
136.07576	3.1
138.09103	1.9
143.07298	1.1
143.08456	1.1
144.08076	1.6
145.04951	4.0
145.91621	0.8
146.05972	1.1
150.09135	6.4
151.03873	1.9
151.09911	4.2
152.10701	8.7
156.08087	1.6
158.06010	5.4
158.09636	3.3
159.04364	1.6
159.10400	1.2
160.07565	3.0
161.08337	0.9
162.09135	11.8
164.10733	2.2
165.05476	21.1
165.06897	1.1
170.09686	2.7
171.10446	1.9
172.07587	2.6
172.61049	0.8
174.09146	5.1
175.09953	1.2
176.07083	1.2
176.10706	23.6
178.07745	1.0
181.08861	1.0
182.07266	0.8
183.11742	1.2
184.07591	0.9
185.08304	1.2
186.09125	8.6
186.12782	5.4
187.09891	5.2
188.10696	7.8
189.11394	0.8
191.07004	3.9
193.10123	1.1
196.08922	1.1
196.11125	1.0
198.09126	1.7
199.09888	2.6
200.10713	2.1
200.14395	1.0
202.08617	1.0
202.12231	1.8
204.10156	10.8
210.12695	1.5
211.11119	2.1
212.10519	0.9
213.11282	0.9
214.08826	8.3
214.12251	41.3
216.10201	2.8
216.13814	19.2
223.09834	1.2
226.08705	1.1
226.12231	1.0
227.09441	1.3
228.10123	1.3
228.13841	8.8
232.09669	31.0
232.13332	1.5
233.10062	0.9
234.08965	1.0
234.11119	1.7
238.12228	7.4
239.10646	3.1
246.11258	4.8
248.12708	1.1
254.11781	1.1
256.13339	16.2
258.14951	0.7
266.11792	5.7
267.10040	1.9
269.10260	0.8
274.14383	1.3
284.12796	65.0
285.13049	2.3
288.15878	4.1
298.14392	6.5
302.13867	28.0
303.14185	1.4
316.15417	41.8
317.15771	1.1
334.16467	100.0
335.16907	3.9
433.52209	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.8
53.03935	3.9
55.01858	3.7
55.05506	23.2
57.03431	15.2
59.04995	1.4
65.03919	3.0
67.05500	34.7
68.05846	1.6
69.03419	6.7
69.07055	9.8
70.10241	5.4
71.04982	8.1
79.05489	36.8
79.59331	1.3
81.03413	81.2
81.07050	39.8
81.07533	2.1
83.04987	16.3
83.06995	1.5
83.08155	2.7
83.08611	33.9
83.09072	2.9
85.02895	43.5
85.06541	4.5
91.05481	39.0
93.07033	23.2
95.04961	40.7
95.08598	15.6
97.02891	6.2
97.06525	6.6
97.10159	4.9
99.08070	1.9
100.11255	2.3
100.96804	1.3
105.07024	31.0
107.04961	10.2
107.08590	10.6
109.02975	1.4
109.06508	6.2
109.10134	7.0
111.04439	5.3
111.08080	16.1
111.53208	1.6
113.06006	4.4
115.05468	3.6
116.64532	1.3
117.07008	3.6
119.08580	26.9
121.06466	2.0
121.10136	14.5
123.08089	4.1
123.11687	3.7
125.09663	2.7
127.07590	1.8
128.06201	1.9
129.06966	15.1
131.08560	15.8
133.06494	3.1
133.10132	13.6
135.08136	1.7
137.05965	2.5
137.09625	2.4
137.52478	1.4
142.07756	5.1
143.57730	1.6
145.10115	3.8
147.08064	4.4
147.11671	20.0
149.09570	7.0
151.07494	2.0
153.01843	2.4
157.10120	21.5
163.11131	2.4
165.12766	5.6
175.11151	19.6
189.11194	2.3
193.10426	3.2
193.12236	84.4
211.13278	100.0
212.13615	2.7
267.15866	8.0
282.31232	1.6
285.17032	4.6
287.05719	1.8
336.22272	1.4
341.06635	2.0
341.64185	1.6
367.22610	1.8
385.23740	1.8
459.27426	2.9
477.28387	5.0
486.94864	1.5
495.12958	5.1
495.29514	85.2
496.29620	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	495.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.1
55.01862	4.0
55.05509	22.7
57.03438	12.8
57.07046	1.1
59.04981	1.1
65.03936	2.6
67.05505	33.0
69.03430	7.3
69.07072	8.0
70.80174	2.2
71.04993	8.9
79.05022	1.1
79.05492	32.9
81.03420	85.6
81.07055	36.3
82.03776	1.8
83.04981	16.3
83.08620	29.4
85.02906	43.5
85.06541	3.0
87.04459	0.9
91.05484	43.3
92.88559	1.0
93.07047	21.5
95.04969	39.5
95.08607	12.6
97.02903	3.6
97.06523	6.8
97.10175	4.2
99.08076	1.0
105.04544	1.6
105.07032	33.3
106.07375	0.9
107.04955	5.8
107.08599	11.2
109.06519	8.1
109.10172	4.0
111.04428	4.4
111.08089	15.6
113.06048	5.6
117.07014	4.6
119.04950	1.5
119.08585	28.5
121.06509	2.0
121.10135	11.1
123.08092	3.6
123.11713	2.8
125.06001	1.4
125.09641	3.3
127.07594	1.0
128.06261	1.0
129.06998	14.0
131.08566	15.2
133.06506	4.0
133.10133	12.3
134.13657	0.9
135.11658	1.1
137.06006	1.5
137.09628	1.6
142.07785	3.6
145.10130	2.9
147.04381	1.7
147.08044	4.3
147.11687	23.0
147.12810	1.4
149.09602	7.2
157.10138	20.5
162.10738	0.9
163.11177	2.2
165.12782	4.5
175.11198	21.9
177.95081	0.9
184.07315	1.1
189.11249	1.4
191.35304	1.1
193.12247	88.8
194.12540	2.1
211.13292	100.0
212.13539	2.1
243.78674	1.0
267.15942	7.6
285.16830	4.3
359.22116	1.6
380.25909	0.9
385.23663	2.5
403.25003	1.6
459.27521	2.9
467.24988	1.2
477.28168	5.4
495.29547	76.9
496.29733	4.4
505.53552	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83799	0.3
55.05497	0.6
57.87728	0.3
58.73040	0.3
60.68292	0.3
67.05489	0.7
68.99768	0.4
69.03392	0.4
69.07092	0.3
71.06487	0.8
79.05495	1.0
81.03415	1.2
81.07046	0.9
83.04983	0.3
83.08620	0.5
85.02902	0.5
89.03894	0.4
91.05463	1.8
93.07022	1.0
95.04958	0.7
95.08617	0.6
102.04704	0.7
102.52234	0.3
103.05457	2.3
105.07024	1.0
107.04954	0.4
115.05524	0.4
117.03388	0.4
118.04124	1.6
119.05005	0.5
119.08596	0.5
121.06478	1.0
123.04446	0.7
125.05959	0.3
130.04167	1.4
131.04938	3.1
132.05702	1.4
133.02875	0.5
133.10127	0.3
135.04463	1.0
137.05994	0.5
140.04666	1.7
146.03629	2.1
147.04414	1.4
148.05141	1.5
149.05971	0.5
153.01823	5.6
153.05482	0.6
155.07068	0.4
159.04472	0.4
160.05209	0.7
161.05930	0.9
162.03125	0.6
163.03922	0.8
163.11217	0.5
166.06390	0.3
167.07050	1.7
169.87837	0.3
173.05814	0.4
176.04657	1.5
177.05489	2.0
178.06242	2.8
180.07932	0.3
191.07030	2.6
192.07803	1.8
193.12296	0.7
194.12593	0.5
201.05469	0.3
203.03415	4.7
206.65262	0.3
208.60812	0.3
211.13202	0.5
213.05487	0.8
216.04184	5.4
229.04956	5.5
240.56554	0.4
241.05000	1.3
242.05719	8.2
243.06276	0.3
244.03688	0.4
251.44519	0.3
253.04890	2.3
257.04431	38.7
258.05203	12.9
259.06076	1.3
266.71167	0.3
269.04446	1.6
270.05215	2.5
271.06006	1.5
272.03110	0.7
274.04810	0.6
283.06107	0.5
285.03894	5.7
286.01987	0.3
286.04694	21.1
287.05472	26.8
297.03998	3.1
299.05460	3.5
300.06287	1.0
301.07028	0.5
302.04129	1.8
311.05460	0.5
313.03632	0.5
313.07071	0.5
315.04950	5.7
316.05667	0.6
317.06577	1.3
327.01120	0.5
327.04837	2.9
329.06577	0.5
341.06598	1.6
373.06873	0.4
403.07950	0.4
415.08029	0.4
416.09018	0.4
419.07376	0.7
433.09100	0.6
445.08917	0.7
447.07108	0.9
462.09760	0.8
465.11868	3.5
477.11771	14.6
478.11832	0.6
495.12833	100.0
496.13068	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	495.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.5
55.01858	4.5
55.05507	25.6
57.03436	17.8
59.04991	2.5
65.03924	3.1
67.05502	42.3
69.03421	8.7
69.07073	8.8
69.61191	6.6
71.04993	9.2
73.02914	1.0
79.05490	43.0
80.05820	1.4
81.03416	97.6
81.07051	44.8
81.57050	1.1
82.03732	1.6
83.04968	22.0
83.08617	36.7
84.12093	1.0
85.02383	2.0
85.02904	52.3
85.06561	3.1
91.05481	54.6
93.07041	29.0
93.23092	1.1
95.04965	43.5
95.08604	15.1
97.02905	5.9
97.06522	7.6
97.10188	6.5
98.20763	1.8
99.08064	1.6
103.05482	1.4
105.07027	40.4
107.04957	10.5
107.08585	13.0
109.06509	10.0
109.10161	5.7
111.04429	3.9
111.08068	17.3
111.83749	1.2
113.06013	4.4
115.05460	4.1
117.07024	4.3
119.08575	32.9
119.09374	2.2
121.06535	3.0
121.10145	14.6
121.95795	1.0
123.08074	4.0
123.11700	3.6
125.09642	2.8
128.06172	1.3
129.07005	15.7
131.08556	16.5
133.06497	4.5
133.10127	17.7
134.13191	1.0
135.07986	1.0
135.11757	1.3
136.15530	1.0
137.09618	3.2
137.13379	1.0
142.07788	6.2
145.10150	4.2
147.08063	5.0
147.11674	21.6
149.09637	8.9
151.11229	1.8
155.08517	1.2
157.10127	21.8
163.11160	2.4
165.12776	6.1
175.11185	25.6
189.11223	1.6
193.12234	85.5
194.12619	1.7
211.13281	100.0
212.13486	1.2
227.12888	1.5
241.09964	1.2
249.14972	2.8
257.04599	1.5
267.15924	11.5
285.17090	3.7
459.27463	3.3
477.28204	5.2
495.13907	2.7
495.29572	86.8
496.30170	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	495.1284
Annotation	5'-Methoxyhydnocarpin-D
Peak:m/z	Relative Intensity
52.62077	0.2
67.05472	0.5
69.07065	0.2
70.15263	1.0
79.05457	0.7
80.02317	0.2
81.03432	0.3
91.05454	1.1
102.04659	0.4
103.05454	0.4
105.07044	0.4
107.04935	0.7
110.03645	0.4
115.44345	0.2
119.04920	0.7
119.08541	0.2
123.04404	2.2
124.05196	0.3
130.04153	0.5
131.04893	0.3
135.04402	0.5
136.05193	1.3
137.06010	0.4
138.06726	0.6
147.04335	0.9
148.05096	0.4
149.05956	0.3
150.06714	0.3
153.01814	6.4
161.05948	0.4
163.03905	0.3
203.03391	1.5
203.07072	0.3
213.05482	0.8
216.04170	37.6
217.04662	0.7
225.05675	0.2
227.03433	0.3
228.04301	0.4
229.04880	0.4
231.06450	1.1
241.04842	0.2
242.05836	0.8
243.06451	0.4
244.03667	3.3
253.04875	0.4
255.02881	0.5
257.04434	2.6
258.05197	0.8
259.06012	5.6
269.04324	0.5
270.05191	1.0
271.06064	0.5
272.03152	6.3
273.03909	0.3
274.04688	3.1
276.02737	0.3
283.06009	0.7
284.03094	0.4
285.03979	0.3
286.04755	0.8
287.05487	80.1
288.05853	1.5
297.04016	0.4
299.05530	1.9
300.06247	0.4
301.03281	0.2
301.07068	0.3
302.04199	5.4
313.03305	0.7
313.06778	0.5
315.04962	10.9
316.05548	0.8
317.06540	3.8
327.04999	5.6
390.07248	0.3
400.00293	0.2
403.08011	0.5
405.09622	0.6
407.07486	0.2
421.08923	0.5
433.09216	1.2
449.08740	0.6
465.11755	3.4
477.12094	1.3
480.10120	0.4
494.27927	0.3
495.12845	100.0
496.13232	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	494.324
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36506	0.1
55.05512	0.6
56.05030	0.4
57.03440	0.2
57.07071	0.2
58.06630	0.5
60.08163	6.1
67.05495	0.3
69.07066	0.5
70.06591	0.3
70.14304	0.3
70.14719	0.4
71.07373	2.8
79.05485	0.2
81.07039	0.4
83.08622	0.4
84.89530	0.1
86.09705	30.4
87.10044	0.2
88.07615	0.3
93.07058	0.2
95.08588	0.3
97.10152	0.2
98.98462	3.0
102.09182	0.3
104.10738	2.9
105.07071	0.1
107.08567	0.1
109.10186	0.1
109.57046	0.1
121.10140	0.1
124.99998	20.9
126.34229	0.1
135.11665	0.2
143.01059	0.4
149.02336	0.8
184.07335	100.0
185.07645	0.7
193.04956	0.8
237.07515	0.9
258.10980	0.1
284.29456	0.7
311.25717	0.3
392.48752	0.1
476.31497	1.0
494.33676	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	494.324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.4
56.05035	0.4
56.69482	0.2
57.03424	0.3
58.06609	0.5
60.08162	6.6
64.41711	0.3
67.05495	0.3
69.07058	0.6
70.64912	0.8
71.07375	2.7
81.07041	0.3
83.08607	0.4
84.11865	0.2
86.09705	28.3
97.10170	0.4
98.98463	2.5
104.10738	2.7
125.00001	21.3
141.17235	0.2
149.02278	0.5
184.07338	100.0
185.07703	0.7
193.04863	0.3
220.05969	0.3
222.54160	0.2
237.07635	0.3
292.82150	0.2
311.25626	0.5
446.57437	0.2
476.31314	0.8
494.32379	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.324
Annotation	Vinylamycin
Peak:m/z	Relative Intensity
50.42235	0.8
55.05510	3.7
56.05023	1.7
57.07064	1.2
58.06593	1.5
60.08163	16.6
66.57686	0.6
67.05502	1.2
69.07075	3.6
69.41413	6.9
71.07367	6.0
81.07070	1.3
83.08617	3.3
86.09705	52.4
91.05462	0.9
97.10190	2.1
98.98494	4.2
104.10741	100.0
116.70399	0.7
125.00000	29.9
127.02133	0.7
142.16060	0.8
163.01596	1.4
169.96034	0.8
184.07339	97.3
185.07651	1.2
258.11264	1.0
311.02380	0.8
311.25793	3.3
356.54532	0.8
412.76636	0.9
424.63217	0.8
476.25281	1.2
476.31393	11.2
494.32407	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	494.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43528	0.6
55.01860	0.7
55.23517	0.6
66.65711	0.5
67.05487	0.5
69.03424	1.6
69.22037	2.1
69.22455	3.5
72.08148	0.6
81.03404	0.6
85.02901	3.8
88.43456	0.6
91.05476	1.4
93.07045	0.8
97.02885	1.1
105.06995	1.3
107.04934	2.0
109.02882	0.6
109.06516	0.8
115.05427	1.2
116.58445	0.5
117.03362	1.8
119.08601	0.7
122.03665	0.6
123.04402	1.3
130.04094	0.8
131.04898	1.0
135.04416	2.5
137.02324	0.8
137.05972	6.3
139.03934	0.9
147.04399	2.8
147.11670	3.6
152.06255	0.7
153.01778	0.6
153.05510	0.6
153.06998	1.7
154.06258	3.6
154.07365	0.5
155.08513	1.1
161.05913	3.4
162.06700	2.1
165.05479	2.4
165.06993	4.8
167.04846	0.6
167.07010	1.1
168.05690	1.1
169.06476	1.4
171.08092	0.9
180.07761	7.1
181.06450	3.3
183.07996	4.2
184.05193	0.7
185.06000	0.7
187.07448	0.7
191.06982	1.6
193.06516	2.1
195.04425	0.9
196.05154	0.8
197.05956	3.5
198.06683	0.8
199.07520	5.0
207.04619	0.8
209.05960	1.3
210.06810	3.2
211.07515	9.2
212.04695	1.4
212.08318	2.9
213.05446	1.5
213.09189	0.9
215.07027	1.2
221.06071	0.8
223.03883	2.4
224.04662	1.5
225.05435	1.6
225.09059	1.1
226.06184	1.1
227.06984	9.3
228.07748	1.8
229.08507	1.1
237.05484	1.2
238.06258	1.3
239.07037	12.5
240.07799	4.6
241.04887	0.9
241.08557	1.2
242.09477	0.8
243.06514	2.2
243.10152	3.2
251.06985	2.0
251.23955	0.6
252.04135	1.4
253.08649	1.7
254.09399	5.7
255.04057	1.1
255.06520	12.3
256.07224	2.9
257.08090	1.0
258.08817	2.0
259.09601	1.2
265.08792	1.1
267.06458	8.2
268.07248	2.4
269.08194	1.5
270.08868	5.2
271.09616	10.3
273.11191	19.5
274.11514	0.8
281.08038	1.5
282.08826	9.6
283.06506	1.0
283.09592	9.3
284.06726	2.6
287.09091	7.8
298.08279	2.3
299.09122	54.5
300.09488	1.4
301.10696	17.4
302.11459	31.2
313.10666	6.2
314.11456	100.0
315.11737	3.2
332.12509	33.6
333.12677	0.9
397.64200	0.8
496.05643	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61077	5.2
55.05505	15.5
57.03426	5.4
57.07078	51.2
57.61298	4.3
58.06597	7.5
63.49863	5.3
67.05499	38.2
69.07064	15.8
70.87757	4.4
71.08625	43.4
71.51395	5.4
71.51804	9.7
79.05494	20.9
81.03417	12.1
81.07053	49.4
83.08614	22.3
85.02892	5.9
85.10179	19.4
91.05453	28.1
93.07040	22.8
95.04965	12.0
95.08610	46.0
97.06528	5.1
97.10159	11.1
105.07039	17.9
107.08595	10.0
109.10155	24.1
119.08575	11.7
120.07986	5.2
121.10155	10.1
123.08107	4.7
123.11713	7.1
125.09628	8.8
133.10129	7.0
147.11664	6.7
167.54599	5.6
184.07263	7.4
193.12239	8.1
227.12904	6.3
239.23720	38.3
275.20041	15.4
277.05722	5.1
313.27341	100.0
331.08185	12.9
347.17215	8.9
493.30225	22.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17205	2.5
53.03962	3.0
54.62284	3.0
55.01851	3.8
55.05511	21.8
57.03424	10.1
57.06796	3.6
57.07072	52.1
65.03916	4.3
67.05502	65.5
67.06052	3.2
69.03419	3.6
69.07069	26.1
71.01337	6.0
71.04990	8.0
71.08624	29.2
71.52755	4.8
73.02887	3.2
79.05491	36.4
81.03417	19.1
81.07059	39.2
83.04976	10.7
83.08615	23.2
85.02898	4.6
85.06527	3.7
85.10162	16.3
89.26065	2.8
91.05473	20.4
93.07040	36.4
95.04972	10.2
95.08615	36.5
97.06518	8.6
97.10183	13.9
99.08126	2.8
105.07034	3.8
107.04965	3.4
107.08595	28.4
109.02881	5.4
109.06517	5.4
109.10159	25.0
111.04417	4.1
111.08060	3.4
117.07024	4.4
119.08575	9.4
121.10139	8.7
123.11760	4.6
125.09566	2.8
129.41548	3.1
133.10114	3.5
135.11694	43.0
145.10115	6.1
160.07214	2.8
163.11200	7.8
181.12178	4.6
193.12260	10.3
211.13324	9.3
229.58415	3.0
239.23720	6.1
240.76773	2.8
405.97870	3.1
493.28714	7.0
493.30280	6.2
493.38843	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3887
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55167	2.3
53.03946	2.7
55.05519	18.2
57.03421	8.3
57.07079	37.6
58.28105	2.3
67.05507	50.4
69.03416	2.4
69.07070	20.6
69.88450	11.9
71.01340	4.2
71.04969	3.0
71.08629	26.0
72.51324	2.4
73.71809	1.9
75.73628	2.3
79.05490	31.5
81.03413	11.5
81.03815	2.1
81.07056	31.2
83.04966	6.0
83.08616	14.0
85.06558	3.5
85.10189	16.7
91.05480	15.4
93.07047	34.0
95.04935	6.3
95.08603	25.7
95.89928	2.5
97.06519	7.9
97.10172	12.5
98.21474	2.7
105.06995	3.7
107.04962	3.4
107.08590	22.3
109.02893	2.1
109.10157	16.3
111.04494	2.2
111.08043	2.3
117.07027	3.9
119.08580	4.3
121.10146	6.0
123.11712	4.8
133.10121	4.1
135.11687	41.9
136.28658	2.0
137.13242	3.1
145.10109	9.1
157.10193	2.7
161.16377	2.5
163.11217	5.3
181.12274	8.1
193.12250	5.2
211.13351	3.5
239.23732	9.7
339.29047	3.4
427.67432	2.2
493.38882	100.0
494.39163	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2795
Annotation	Mucronine B
Peak:m/z	Relative Intensity
51.02383	1.3
53.03932	5.1
55.01880	14.2
55.05513	34.7
57.03442	14.7
57.07071	2.4
58.91671	1.2
59.04995	3.8
65.03941	2.2
67.05503	38.3
69.03422	5.6
69.07076	11.1
71.05002	7.5
71.51836	2.1
73.02914	1.1
79.05495	43.7
80.80750	1.0
81.03422	63.6
81.07059	43.3
83.01352	8.3
83.04987	23.4
83.08153	2.4
83.08618	29.2
85.02908	29.9
85.06543	4.2
91.05485	44.5
93.07042	45.9
95.04973	30.2
95.08607	17.4
97.02895	5.9
97.06541	12.0
97.10181	6.8
99.04457	3.4
99.08117	1.8
105.07033	33.6
107.04955	16.8
107.08588	18.6
109.06526	11.4
109.10166	7.4
111.04450	5.6
111.08087	13.6
113.06017	3.6
115.05433	1.7
117.07037	11.5
117.50150	1.3
119.08582	27.5
121.06516	5.1
121.10140	15.0
123.04442	1.5
123.08083	12.4
123.11687	2.3
125.05990	3.0
125.09629	2.3
128.06250	2.3
129.07001	11.7
130.07780	3.2
131.08559	13.2
133.06462	2.5
133.10127	11.6
135.08055	2.3
135.11713	13.8
137.09619	4.6
142.07799	3.4
143.08540	2.0
145.06487	1.8
145.10123	17.4
147.08078	3.9
147.11696	12.5
149.09618	5.5
153.09055	1.6
153.11681	1.3
153.12697	6.6
155.08528	1.7
157.10123	10.8
160.16969	1.3
161.09621	1.2
163.11205	29.8
165.12799	3.1
173.09628	4.6
174.85139	1.4
175.11200	13.2
181.12311	5.2
191.10725	2.2
193.12245	52.2
209.11644	7.4
211.13293	61.6
227.12796	6.5
229.14348	1.4
249.14818	1.8
267.15912	6.0
283.15396	3.0
331.08109	2.0
383.22232	2.5
401.23175	4.1
475.26791	3.5
493.27988	100.0
494.28342	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	493.2792
Annotation	Mucronine B
Peak:m/z	Relative Intensity
53.03935	6.9
54.02694	1.4
55.01867	13.4
55.05507	41.8
57.03430	16.4
57.07054	1.6
59.04991	4.5
60.50233	1.3
61.82496	1.5
65.03931	2.5
67.05501	36.6
69.03426	4.5
69.07055	13.6
69.42239	1.4
71.04983	12.0
71.35373	1.4
77.03874	1.8
79.05488	49.0
81.03412	77.4
81.07051	48.0
83.01323	9.5
83.04975	27.5
83.08147	3.0
83.08613	32.1
85.02901	32.9
85.06523	2.7
87.21044	1.6
91.05474	50.5
93.07037	50.1
95.04960	39.1
95.08595	21.3
97.02888	5.1
97.06522	9.5
97.10150	5.9
98.54796	1.5
99.04411	2.4
99.08148	1.4
103.05461	2.3
105.07030	32.0
107.04931	16.4
107.08587	20.7
109.06503	13.1
109.10136	6.4
111.04428	9.0
111.08081	16.7
113.06010	3.6
115.05433	2.9
117.07011	12.6
119.08571	28.8
119.09368	2.0
121.02989	1.4
121.06505	5.9
121.10130	20.1
123.04367	1.7
123.08063	9.1
123.11700	3.6
123.52617	1.5
125.05996	2.6
125.09635	4.4
129.06993	10.7
130.07828	2.0
131.08565	14.5
133.06516	2.8
133.10115	11.8
135.08073	2.6
135.11682	14.9
137.05965	5.6
137.09634	4.2
139.07611	2.2
142.07753	2.1
145.06502	1.9
145.10106	23.6
147.08054	4.3
147.11665	14.5
149.09599	9.8
151.07518	2.1
153.12727	5.5
157.10129	10.3
163.07588	1.9
163.11168	31.8
165.09103	2.2
165.12711	2.6
167.06866	1.6
173.09618	4.8
175.11182	16.5
181.12227	5.8
191.10602	3.7
193.12228	67.8
194.12625	1.7
204.31897	1.8
209.11739	12.9
211.13272	67.6
212.13463	2.2
227.12694	7.5
254.11211	1.7
267.15930	5.4
283.15457	4.1
329.26535	1.6
355.15430	1.7
383.22125	4.4
401.23221	3.3
409.44254	1.6
423.82056	1.5
454.04089	1.6
475.26694	3.8
493.27911	100.0
494.28207	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	493.2793
Annotation	Mucronine B
Peak:m/z	Relative Intensity
52.13027	1.4
53.03924	5.3
55.01878	15.0
55.05508	34.8
57.03433	14.9
59.04982	3.8
63.47511	1.5
65.03920	2.7
67.05503	38.4
69.03417	5.7
69.07061	11.0
70.41903	2.9
71.04981	8.9
77.03896	2.1
79.05489	50.9
81.02930	3.6
81.03412	74.7
81.06596	3.3
81.07052	47.0
83.01333	10.1
83.04978	24.2
83.08617	34.7
85.02901	37.4
85.06509	4.2
91.05479	49.7
93.07043	51.9
93.07644	2.9
95.04964	39.3
95.08598	19.9
97.02872	5.5
97.06533	10.5
97.10155	7.0
99.04466	2.8
105.04548	1.8
105.07027	35.1
107.04948	13.5
107.08584	21.4
109.06502	12.0
109.10133	5.2
111.04451	7.5
111.08086	16.6
113.06005	2.9
115.05453	2.4
117.07021	11.1
119.08571	29.5
121.06493	5.0
121.10149	19.6
121.10950	2.7
123.08065	11.2
125.06000	2.7
125.09632	2.0
128.06252	1.9
129.07007	11.3
130.07751	3.6
131.08545	13.2
133.06525	2.1
133.10098	10.1
135.08090	3.0
135.11693	13.7
137.09578	5.5
142.07712	3.0
145.10114	19.0
147.08043	5.0
147.11647	12.9
149.09657	5.9
151.11040	1.7
153.12735	4.9
157.10110	12.3
163.11168	38.3
165.12769	3.6
173.09581	4.2
175.11177	14.1
181.12259	7.0
191.10686	4.9
193.10443	2.9
193.12239	67.0
209.11693	10.3
211.13277	74.8
212.13701	2.2
227.12819	5.3
249.14919	1.7
266.19125	1.6
267.15958	2.7
283.15479	4.9
383.22083	3.6
395.73569	1.9
475.26901	3.5
493.27957	100.0
494.28067	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	493.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.7
55.01853	0.8
55.05505	0.5
62.73029	0.4
65.03927	0.9
67.05508	1.9
69.03416	0.6
69.07074	0.6
71.04974	0.4
71.51497	0.5
79.05487	2.7
81.03406	1.3
81.07045	2.2
83.04972	0.7
83.08616	0.4
85.02895	0.8
91.05477	7.4
93.07030	1.7
94.04179	3.9
95.04989	2.2
95.08605	0.9
97.06514	1.1
97.10172	0.5
100.62142	0.4
103.05458	12.4
105.07019	4.3
107.04951	3.0
107.08594	0.8
109.06497	1.8
109.10144	1.0
111.04405	0.6
111.08067	0.4
115.05424	2.1
117.07032	1.4
119.04950	2.9
119.08575	1.2
121.06477	2.1
122.03640	8.3
123.04411	0.7
123.08077	0.9
123.11668	0.5
126.04173	0.4
128.06207	0.8
129.07010	1.9
131.04929	20.0
131.08569	1.3
132.05692	0.4
133.06474	2.3
133.10130	0.9
135.04335	0.5
135.08046	1.6
137.05969	100.0
138.06323	0.8
141.06995	0.7
143.04944	0.8
143.08588	0.7
145.06474	1.8
146.03618	0.5
146.86433	0.4
147.04417	0.6
147.08067	0.7
147.11711	0.6
148.05232	0.6
149.05989	2.9
149.09541	0.6
151.03958	0.8
151.07538	20.2
153.06958	0.4
157.06480	1.8
159.08022	1.1
160.05199	0.8
161.05983	8.8
161.09648	0.9
162.06645	0.4
163.07535	23.4
165.05516	0.5
165.06958	1.9
165.09132	3.1
166.07869	0.5
166.09416	0.9
167.07042	2.7
167.08554	2.7
169.06497	0.7
171.08112	0.6
173.05940	0.6
174.06781	1.2
175.07556	4.1
177.05466	0.9
177.06902	0.4
177.09082	4.8
178.07753	0.4
179.08563	1.2
181.05011	0.4
181.06496	1.1
182.07219	0.5
187.07529	1.3
189.07301	0.7
189.09099	5.7
191.06981	0.5
191.08655	0.9
191.10664	1.1
193.06500	1.6
193.12169	0.4
194.07303	0.5
195.08067	4.8
195.10164	2.2
196.08774	0.6
197.05969	0.6
199.07593	0.4
201.09117	1.1
203.08662	0.5
203.10582	0.5
205.06638	0.7
205.10246	0.5
207.08086	1.3
207.10150	1.8
209.05965	0.7
209.09697	0.8
209.11604	0.6
210.06746	1.1
211.07410	0.8
212.08324	0.6
213.09113	0.7
218.07309	0.8
219.08072	1.4
221.05923	2.1
221.09573	1.2
221.11595	0.6
222.06618	0.4
223.07568	1.7
224.08315	1.5
225.09062	2.4
227.07062	0.6
227.10698	3.2
227.12688	0.5
231.08107	0.4
233.09618	0.9
234.06741	0.4
235.07553	1.5
236.08238	0.5
237.05571	0.5
237.09036	0.8
238.06247	1.0
239.10667	0.9
241.12141	0.6
247.07492	0.9
249.09117	1.3
250.10100	0.6
251.06999	0.5
251.10648	1.5
252.07803	1.1
253.08595	2.7
253.12262	0.6
254.09329	0.5
255.10168	3.8
261.09131	0.7
263.06989	0.4
265.08621	2.2
265.12228	0.9
266.09412	0.8
267.10129	3.5
269.08060	0.9
269.11664	0.6
270.05234	0.7
270.08676	0.6
277.08517	0.7
278.09222	0.8
279.10101	1.8
281.11713	1.2
282.08728	0.6
284.10449	0.5
285.11249	3.8
287.12762	7.5
291.10330	0.5
291.13718	0.4
293.11667	1.7
297.11206	3.8
299.12747	1.9
305.11642	0.8
307.09885	0.6
307.13318	0.8
311.12732	3.3
312.13477	0.4
313.14172	2.5
315.05270	2.0
315.08487	0.7
316.05698	1.0
317.13937	0.7
319.13358	1.0
325.14206	2.2
331.08066	5.3
337.14417	1.0
339.12207	0.6
343.15393	5.9
351.15884	2.4
369.17056	1.5
415.18921	1.4
443.18414	0.8
475.21161	0.7
488.93372	0.4
493.21942	3.5
493.28537	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1341
Annotation	Malvidin 3-O-glucoside
Peak:m/z	Relative Intensity
69.60434	0.3
69.60845	0.4
90.88336	0.1
91.05444	0.3
94.04170	0.2
95.20800	0.1
98.21492	0.2
108.02104	0.1
119.04939	0.2
122.03577	0.3
131.04889	0.3
137.02319	0.1
137.05977	2.7
145.56075	0.1
149.05995	0.1
151.07550	0.9
153.01813	0.6
154.02553	0.3
160.61296	0.1
163.07501	0.4
167.08528	0.1
175.07381	0.1
178.02548	0.5
195.07999	0.1
214.06108	0.2
227.10667	0.2
241.04930	0.2
242.05743	2.6
255.02681	0.2
255.10185	0.1
258.05228	2.0
269.04437	0.3
270.05219	12.5
271.05524	0.3
273.03946	1.1
285.03931	0.3
285.11139	0.3
286.04691	1.3
287.05490	5.9
287.12598	0.6
288.06134	0.1
298.04724	1.0
299.05548	0.7
301.03455	1.8
302.04221	2.8
305.19171	0.1
313.03381	1.1
315.04968	42.8
316.05737	12.4
317.06070	0.4
325.14154	0.2
331.08102	100.0
332.08423	3.0
493.13165	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.134
Annotation	Unknow
Peak:m/z	Relative Intensity
64.15734	0.1
64.24026	0.1
69.43031	0.6
69.43443	0.2
80.52871	0.1
80.63400	0.1
91.05474	0.1
93.71111	0.1
108.02077	0.1
122.03583	0.1
128.45161	0.1
137.06001	1.1
149.05959	0.1
150.72519	0.1
151.07553	0.2
153.01842	0.6
154.02588	0.3
158.36852	0.1
163.07501	0.1
178.02666	0.6
179.07024	0.2
213.05421	0.1
214.06256	0.2
229.04793	0.1
241.05029	0.1
242.05731	2.1
244.83546	0.1
253.04884	0.2
253.09012	0.1
255.02727	0.2
258.05231	2.2
269.04410	0.3
270.05240	9.8
271.05569	0.2
273.03937	1.3
274.04578	0.1
285.03931	0.3
286.04752	1.7
287.05481	4.2
298.04788	0.3
299.05505	0.7
301.03424	2.2
302.04214	2.4
313.03427	0.9
315.04984	37.4
316.05740	4.7
331.08112	100.0
332.08463	2.3
332.12143	0.2
407.11334	0.1
493.13242	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05527	0.6
57.03423	0.9
65.03939	1.2
67.05496	2.4
69.03430	0.9
69.31396	0.8
69.31732	5.2
73.02913	0.7
79.05484	2.1
81.07046	2.1
85.02896	0.9
86.09689	1.1
89.03938	0.6
91.05493	7.6
93.07066	0.7
93.63962	0.5
94.04192	4.5
95.04987	3.1
95.08600	0.9
97.06515	0.6
98.20681	1.0
103.05456	6.1
105.07033	3.4
107.04974	1.4
109.06525	2.1
109.10162	2.9
111.04470	0.8
115.05453	1.4
117.07011	1.2
119.04940	4.4
120.08095	0.7
121.06504	2.5
121.10115	0.6
122.03645	11.3
123.04470	1.0
127.03915	0.5
128.06223	0.5
129.06982	2.1
131.04939	8.9
131.08603	1.0
133.06517	2.5
135.04466	0.6
135.08087	2.5
136.05246	1.1
137.05978	100.0
137.09581	4.7
138.06311	1.8
141.06918	0.9
145.06477	1.7
147.04417	0.9
149.05977	4.5
150.06892	0.6
151.03952	1.3
151.07545	26.1
152.06192	1.2
157.06454	1.3
159.08037	0.8
161.06010	5.3
162.06599	0.8
163.07547	16.5
165.05626	0.7
165.07011	3.0
165.09145	5.8
166.07782	0.9
167.07196	1.0
167.08551	4.6
169.06471	1.2
174.06728	1.6
175.07547	4.1
177.05504	1.0
177.07028	0.7
177.09154	1.9
181.06564	1.8
182.07259	0.6
187.07541	2.1
189.09102	4.6
191.08582	0.6
191.10757	0.6
193.06506	2.0
194.07265	1.2
195.08040	7.3
197.05980	1.2
201.09143	1.6
203.07010	1.1
203.10626	1.0
205.10153	0.6
207.10199	0.7
209.06050	0.5
209.09613	1.1
210.06796	2.1
211.07414	0.7
212.08215	1.3
219.07957	1.2
221.06055	3.5
221.09637	1.3
223.07520	3.0
224.08221	1.8
225.09050	2.9
226.09509	0.8
227.10632	6.9
233.09692	0.9
234.06786	0.9
235.07611	0.6
237.09172	1.0
238.06270	0.7
239.06902	0.9
240.07571	0.9
241.08315	0.8
249.09071	1.5
251.10701	1.3
252.07759	1.0
253.08543	4.0
253.12254	0.8
255.10168	9.3
258.05182	0.7
265.08405	0.7
266.09238	1.5
267.10165	3.4
269.11499	0.6
270.05283	2.1
270.09006	0.6
279.10110	0.9
281.08109	1.1
281.11847	0.8
285.11139	5.8
287.12793	16.9
293.11688	0.6
297.11313	0.8
299.12805	0.7
301.03946	0.6
305.11646	1.3
310.11795	1.3
311.12317	1.6
313.14307	3.0
315.05002	8.8
316.05692	2.3
319.13242	1.0
325.14423	1.6
327.12225	0.9
328.12656	2.3
330.14377	0.9
331.08124	23.8
331.14621	1.1
332.08527	1.5
337.14478	1.0
342.14554	2.5
343.14966	6.4
351.15970	3.0
415.19189	3.1
443.18613	2.1
454.35934	0.5
475.21185	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05483	0.3
62.18707	0.2
67.05479	0.3
69.07034	0.3
71.04932	0.2
71.12693	0.3
71.13033	0.4
72.08160	1.3
79.43947	0.2
81.07014	0.6
91.05444	0.8
93.07002	0.5
95.04921	0.2
95.08583	0.4
97.15411	0.2
103.05446	0.4
105.07016	0.6
107.04923	0.4
110.31251	0.2
115.05396	0.2
120.08089	1.2
121.06425	0.3
122.03665	0.3
123.04359	0.2
123.11710	0.2
127.04005	0.2
129.06985	0.3
131.04869	0.7
133.02798	0.5
133.10080	0.2
135.04385	0.2
137.05966	3.7
149.05920	0.2
151.03873	0.5
151.07538	1.2
153.01854	0.4
154.02568	0.4
161.05971	0.5
163.03835	0.3
163.07527	1.2
165.05447	0.3
165.06961	0.2
167.06989	0.8
175.07472	0.5
175.08810	0.3
175.14641	0.2
177.09064	2.3
178.02596	0.4
179.06973	0.4
181.08595	0.3
187.07491	0.3
189.09149	0.3
191.07005	0.3
213.64536	0.2
235.10762	1.0
241.04913	0.2
242.03429	0.3
242.05664	2.0
253.08704	0.3
258.05197	1.7
263.10355	1.3
265.08728	0.3
270.05219	8.6
271.05777	0.3
273.03995	1.3
277.08524	0.3
279.10208	0.3
285.03870	0.3
286.04715	1.2
287.05475	3.7
287.12708	0.5
297.11151	0.5
299.05591	0.5
301.03546	2.5
302.04218	2.1
311.12732	0.7
313.03549	0.6
314.15744	0.2
315.04968	33.4
316.05676	5.0
317.05872	0.2
325.10477	0.3
328.12912	0.2
331.08109	100.0
332.08429	3.4
343.14990	0.3
493.18579	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33923	0.7
53.03933	1.3
55.01860	1.3
55.05268	0.6
55.05507	6.9
57.03436	3.8
57.07052	1.4
67.05136	0.8
67.05499	20.0
69.07055	5.8
69.83907	1.2
69.84322	1.5
71.04970	1.5
71.08627	21.9
74.48863	0.5
79.05019	0.9
79.05484	17.7
80.05800	0.5
81.03415	3.5
81.07046	19.6
83.04974	3.6
83.08608	3.9
85.06506	1.2
91.05473	12.0
93.07034	23.1
94.07336	0.5
95.04975	4.8
95.08598	14.5
97.06512	4.0
97.10151	1.5
98.06058	0.5
98.20829	0.6
98.98451	0.9
99.08081	14.2
105.07016	8.2
107.04965	3.1
107.08582	12.0
109.06506	1.4
109.10145	6.1
109.98489	0.5
111.08099	1.0
113.09633	1.6
117.07004	2.4
119.08568	9.0
121.06493	0.9
121.10131	10.4
123.08047	1.1
123.11728	0.5
125.09607	0.8
129.06989	1.0
131.08559	2.2
133.10101	6.2
135.10692	1.0
135.11674	12.1
137.09592	1.2
139.11153	0.6
141.09059	1.9
143.08551	1.0
145.10118	1.9
147.11703	3.4
149.09637	0.6
149.13260	3.8
151.11156	7.7
153.12744	0.7
159.11670	1.8
161.13257	6.0
163.11169	2.7
163.14801	1.8
165.12790	0.6
167.10608	1.0
171.11574	1.1
173.13310	0.9
175.11246	0.7
175.14838	0.7
177.12735	2.0
179.14291	41.5
180.14528	0.6
185.13210	1.1
189.12689	0.6
193.12213	1.0
195.13838	0.7
198.05270	0.6
207.13814	0.6
216.06248	1.3
221.15372	1.1
222.18434	1.3
235.16779	1.2
241.19460	0.8
242.61252	0.7
259.20587	2.3
277.21613	29.7
295.22498	0.8
320.25867	5.1
331.02621	0.5
351.25253	100.0
352.25647	2.3
360.45132	0.6
363.84894	0.5
418.71338	0.6
425.88165	0.6
430.39157	0.6
431.21841	1.9
492.27335	1.5
497.09097	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03555	0.5
57.03425	2.2
61.02924	0.5
62.91402	0.4
69.86487	2.8
70.06573	0.6
73.02927	3.7
76.89705	0.5
77.72527	0.4
79.53000	0.5
85.02908	0.9
88.40646	0.5
91.05457	1.9
95.04971	0.8
98.21461	0.7
98.30663	0.5
103.05467	0.8
105.07018	1.0
107.04981	0.7
115.05504	1.0
117.03362	1.8
119.04891	0.7
120.08037	0.5
121.06519	0.9
122.03641	1.1
122.06955	0.5
125.06003	0.6
129.07031	0.6
131.04921	1.9
135.96974	0.6
137.05984	14.6
138.06531	1.5
145.06500	0.6
146.07196	0.6
147.04395	1.7
149.05971	1.5
150.06709	1.8
151.03886	1.2
151.07535	2.3
152.06171	0.8
157.14896	0.5
159.08080	0.6
161.05983	10.4
161.09608	1.9
162.06746	3.9
163.03952	0.6
163.07513	2.0
165.06958	2.8
166.07680	0.8
167.07005	1.7
167.08546	2.0
168.07407	0.7
173.05956	1.0
174.06737	1.8
175.07536	1.7
177.06946	0.7
177.09053	1.7
178.07803	2.5
179.08575	1.5
181.06448	1.3
182.07184	0.8
182.09441	0.5
183.08067	1.1
187.07578	1.1
189.09160	3.4
190.07797	0.6
191.08582	1.6
193.06500	1.1
193.10031	1.2
194.07237	1.7
195.08034	3.7
203.08641	1.1
205.06480	1.9
205.10112	0.6
206.07379	2.5
206.09200	0.8
207.08058	1.8
207.10152	7.3
208.08707	0.8
209.09631	1.3
210.06746	1.9
211.07495	1.8
212.08176	1.3
213.09103	0.7
218.07140	0.7
219.08072	1.9
220.08833	3.4
221.06007	2.4
221.09564	3.8
222.06757	1.9
223.07535	4.9
224.08214	1.6
225.05486	0.9
225.09087	4.1
227.10582	1.0
231.07974	1.1
233.05974	0.8
233.09689	0.8
234.06712	2.2
235.07565	2.4
236.08134	0.8
237.05446	1.3
237.09094	3.8
238.06279	0.8
238.09891	3.5
239.07002	1.7
240.07777	3.3
247.07475	0.8
248.08363	5.4
249.09093	4.5
250.06192	0.8
250.09738	0.7
251.07072	3.8
251.10683	0.8
252.07780	1.5
253.05029	0.6
253.05692	0.7
253.08589	7.9
253.12332	0.9
254.09300	1.7
255.10144	2.3
261.09106	0.9
263.06931	0.7
263.10886	1.1
264.07846	1.2
265.08563	7.4
266.09338	9.2
267.06973	1.0
267.10144	3.2
268.07211	2.2
268.11276	0.6
269.11868	0.5
270.05057	0.5
276.07816	0.7
277.08670	2.3
278.08994	1.2
279.10123	1.4
280.10870	1.7
281.08109	5.5
281.11649	2.7
282.08981	1.0
282.12418	1.5
283.09613	7.1
283.12787	1.1
285.11182	1.8
286.11923	3.3
291.10104	0.9
292.10938	0.8
293.11780	0.9
294.08792	1.8
295.09677	0.9
296.10184	0.7
297.11191	3.4
298.12021	5.0
299.12778	2.0
309.11200	5.9
310.11938	11.9
311.12735	6.8
312.13257	1.5
315.04947	1.9
324.13528	0.5
325.14355	0.6
326.11517	0.7
327.12268	50.2
328.12595	2.2
329.13858	3.7
330.14606	20.8
331.08115	5.6
341.13800	2.4
342.14612	100.0
343.15027	3.6
344.16064	0.5
394.79691	0.6
474.19727	0.8
492.20795	2.8
513.08087	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.7
57.03430	3.6
57.14305	0.7
60.02149	7.6
61.02932	1.3
64.00471	0.8
65.86919	0.8
69.03422	5.0
69.47051	6.5
71.01331	1.2
73.02911	2.8
79.05503	1.4
81.03407	1.6
85.02893	5.4
86.56288	0.8
87.04486	0.9
89.03917	2.1
89.07185	0.9
91.05483	2.4
95.04999	1.3
95.79563	0.7
97.02879	3.7
99.04404	0.9
103.05467	2.7
105.03397	0.9
105.07132	0.8
106.04171	0.8
107.04968	2.7
107.09840	0.8
117.03381	1.2
118.83068	0.7
121.06501	4.4
122.03664	0.9
127.03930	1.1
131.04974	2.2
133.02861	7.8
133.06532	1.6
135.04405	2.4
136.05220	1.3
137.05971	11.7
147.08080	1.4
149.05965	11.1
150.06752	1.2
151.03949	1.0
159.21289	0.7
163.07594	1.3
165.05428	2.0
165.06865	1.1
165.09100	1.1
175.07585	1.9
183.08035	1.0
193.06613	1.2
193.08514	1.9
195.08104	2.1
207.08090	1.1
208.08775	1.1
209.09570	1.8
210.06734	1.3
211.07526	3.2
213.09021	0.9
221.06010	1.4
221.09604	1.8
223.07579	2.2
223.11115	5.2
225.09094	3.3
227.07085	1.0
227.10857	1.2
237.09021	1.9
239.10674	1.0
240.07857	2.0
241.08589	2.2
241.12202	1.1
242.09409	0.8
243.10123	1.7
249.09219	1.1
251.10689	11.4
252.11565	0.9
253.08537	3.8
254.09372	1.3
255.10187	12.1
257.11688	1.3
258.12555	3.4
262.42776	1.0
263.10822	1.6
267.10162	3.4
268.10986	3.3
269.11737	2.8
270.12369	1.0
271.09598	2.0
281.11673	2.1
283.13245	7.3
295.13409	2.3
301.14273	5.5
302.15109	11.2
312.13574	3.7
313.14243	4.9
329.14130	1.2
330.14606	100.0
331.14877	3.3
358.13898	0.8
383.71701	0.9
492.19821	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	492.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50195	0.7
53.03947	0.9
53.04224	0.6
57.03423	3.5
60.02146	9.4
61.02914	1.2
69.03426	6.0
71.01317	0.8
71.04993	0.8
71.51436	1.1
73.02922	3.8
79.05459	1.5
81.03418	1.7
85.02895	5.8
88.07594	0.9
89.03905	2.8
89.07150	1.2
91.05473	4.0
95.04928	1.0
97.02914	4.0
103.05433	2.4
106.04173	0.7
107.04949	3.2
109.02882	0.7
115.05452	0.9
117.03370	3.2
121.06517	5.3
127.03876	1.4
131.04907	3.2
131.08615	0.8
133.02849	10.7
133.06499	1.5
134.03613	1.0
135.04410	2.0
137.05978	13.2
147.08078	1.8
149.05975	10.8
150.06767	2.7
161.05951	1.8
161.09489	0.8
163.07547	2.0
165.05446	2.9
165.06863	1.2
166.06160	0.8
175.07515	1.5
179.07133	0.9
181.06424	1.2
183.08032	0.9
189.09143	1.1
193.06592	1.4
193.08586	1.9
193.10188	1.1
195.08075	1.9
197.09642	0.8
208.08812	0.9
209.06068	1.1
209.09659	1.0
210.06754	1.6
211.07544	3.1
212.08350	1.1
213.09097	1.2
214.33138	0.8
223.07541	3.5
223.11108	7.0
225.09117	3.9
226.09819	0.9
227.07069	1.6
227.10670	1.4
235.11050	1.1
237.09143	3.6
239.06985	0.8
240.07809	3.2
241.08661	2.2
241.12276	1.7
242.09274	1.0
243.10156	1.9
249.09187	1.0
251.10677	10.5
253.08659	5.5
254.09337	2.3
255.10149	11.7
257.11688	2.1
258.12424	4.0
263.10693	2.2
264.11288	0.8
267.10172	4.3
268.10956	4.7
269.11774	2.2
271.09677	2.0
279.10095	0.8
280.10889	1.0
281.11768	1.7
283.13263	7.8
285.11255	1.3
294.20563	0.9
295.13339	3.4
301.14294	5.7
302.15143	10.1
312.13632	4.0
313.14340	4.5
329.13800	1.6
330.14612	100.0
331.14890	3.9
372.15717	0.8
385.74127	0.8
492.19955	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	491.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.2
55.01856	1.3
55.05505	7.5
57.03432	2.5
57.07061	1.1
65.03933	1.3
67.05505	11.6
67.65733	0.8
69.03421	1.1
69.07069	9.1
71.04995	1.5
71.51334	1.0
75.09827	1.1
79.05502	5.9
81.03407	1.9
81.07054	14.2
82.86004	0.7
83.04957	1.6
83.08616	5.1
85.06515	1.1
85.58622	0.8
91.05483	11.5
93.07023	6.9
94.22847	0.8
95.04953	2.1
95.08608	11.4
97.06541	1.7
97.10177	4.3
105.07011	3.8
107.04971	2.1
107.08580	4.9
109.10157	5.8
111.08041	1.1
111.11692	1.8
117.07055	2.0
119.04125	1.5
119.04932	18.5
119.08586	2.5
120.99355	1.0
121.10127	3.8
123.11720	2.9
125.09587	1.4
129.06952	1.6
131.08575	1.5
133.10153	1.9
135.11671	3.7
137.13210	1.0
147.04407	100.0
147.11659	2.5
148.04713	1.4
149.13176	1.0
151.11224	0.9
153.12767	0.9
161.13185	1.0
161.56108	0.8
163.11200	1.3
165.04182	1.3
165.05482	15.1
165.09117	2.4
165.12657	0.9
179.06961	1.0
209.11807	1.4
217.19458	2.4
227.12654	1.1
233.15654	1.0
235.20592	2.5
309.24203	1.7
327.25348	14.5
351.25443	1.4
450.40753	0.9
491.30191	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	491.3364
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92052	0.2
53.03934	0.2
55.01850	0.5
55.05511	1.3
57.07060	0.6
59.04971	0.3
63.51700	0.2
67.05498	3.9
69.03418	0.3
69.07068	0.5
69.80820	1.6
71.04977	0.5
78.56307	0.2
79.05484	1.9
81.03394	0.4
81.06605	0.3
81.07053	4.9
83.04971	0.8
83.08639	0.4
85.02926	0.3
85.06499	0.3
91.05494	1.5
93.07040	2.0
95.04955	0.8
95.08611	2.6
97.02876	0.3
97.06518	0.5
97.10148	0.5
98.70303	0.2
105.07013	1.1
107.04939	0.9
107.08576	1.1
109.06476	0.7
109.10150	5.1
111.08025	0.3
117.06983	0.6
119.08562	2.9
121.06491	0.4
121.10132	1.0
122.07264	1.7
123.11694	7.8
131.08554	0.3
135.08061	0.3
135.11667	0.6
137.05994	0.4
137.09607	13.2
138.97064	0.3
139.07512	0.4
145.10107	0.6
147.08020	0.4
149.09605	0.8
149.13188	0.5
155.08536	0.3
155.10664	0.9
163.11151	0.8
165.09100	100.0
166.09451	2.3
167.10747	0.3
173.11758	0.5
175.11272	0.3
183.10132	1.0
189.12746	0.4
191.10751	0.3
201.11243	1.6
203.14334	0.4
205.12320	0.6
209.11783	0.5
209.18947	0.3
219.13757	0.4
227.12721	0.4
321.24188	0.4
327.12338	0.2
339.25281	1.1
351.06662	0.2
385.23828	0.4
427.32199	0.4
459.27429	1.0
491.20102	0.3
491.25784	0.4
491.31189	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3365
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.2
55.01860	0.6
55.05505	1.0
57.07088	0.2
58.40237	0.2
62.84660	0.2
62.84970	0.2
67.05503	4.8
69.03431	0.4
69.07056	0.7
71.04985	0.4
71.35773	0.2
71.36123	0.3
77.03924	0.2
79.05482	2.0
81.03404	0.7
81.07053	5.1
83.04963	0.7
83.08603	0.6
85.06545	0.3
86.09658	0.2
91.05468	1.6
93.07034	1.9
95.04968	0.8
95.08600	3.4
97.06503	0.5
97.10162	0.6
105.07066	1.0
107.04951	1.2
107.08569	1.2
109.06518	0.6
109.10154	6.1
117.07025	0.6
119.08579	3.3
121.06482	0.7
121.10134	0.8
122.07289	2.1
123.08080	0.4
123.11703	6.9
125.09602	0.3
131.08560	0.6
133.10167	0.3
135.04301	0.2
135.07986	0.3
135.10677	0.2
135.11665	0.7
137.06021	0.4
137.09605	12.2
139.07581	0.2
143.08614	0.2
145.10101	0.6
147.08089	0.4
147.11646	0.2
149.09618	0.6
149.13309	0.6
153.12749	0.3
155.10661	0.7
163.11205	0.8
163.14827	0.2
165.09103	100.0
166.09424	1.6
167.07057	0.2
173.09624	0.3
173.11823	0.4
175.11168	0.4
183.10184	0.7
184.07364	0.2
189.12729	0.3
191.10535	0.3
201.11195	1.7
201.12718	0.2
203.14378	0.2
209.11760	0.5
227.12740	0.7
291.55090	0.2
293.24698	0.5
321.24182	0.2
339.25314	1.2
350.23969	0.3
351.25168	0.2
367.22629	0.3
385.23880	0.3
427.05243	0.3
427.31885	0.3
445.33267	0.2
459.27402	0.6
473.32224	0.3
491.17819	0.2
491.25012	0.4
491.31213	1.0
510.94141	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2992
Annotation	Hemibrevetoxin B
Peak:m/z	Relative Intensity
52.69889	3.5
58.29650	3.8
71.22141	9.1
96.14747	4.0
128.05235	4.5
129.45137	4.4
161.43027	4.0
220.32460	4.2
241.73312	4.5
269.97443	4.7
281.58920	4.3
333.44910	5.2
351.61383	5.0
491.29962	100.0
491.36554	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	491.2999
Annotation	Hemibrevetoxin B
Peak:m/z	Relative Intensity
51.02378	3.4
53.03942	5.8
55.01865	8.0
55.05508	37.3
57.03430	17.4
57.07067	3.5
58.06586	6.2
61.32957	2.4
63.67995	2.5
67.05503	81.8
69.03428	5.4
69.07050	20.6
71.05006	7.4
71.51818	2.9
73.14005	2.5
79.05026	5.1
79.05488	92.4
80.05834	2.9
81.03414	56.8
81.07050	81.3
82.07385	3.3
83.04977	21.4
83.08619	26.2
85.02901	12.5
85.06537	4.0
91.04905	5.6
91.05476	100.0
93.07040	70.5
93.07501	1.5
93.07627	2.5
95.04961	44.6
95.08596	40.4
97.02847	3.5
97.06520	8.6
97.10156	14.9
105.07027	62.0
107.04957	16.6
107.08602	26.5
109.06502	10.2
109.10154	14.3
111.08043	12.7
115.05461	5.5
117.07013	23.0
119.08584	42.5
121.06470	6.6
121.10125	18.5
122.20812	2.6
123.08057	10.2
123.11677	12.2
125.06001	2.5
125.09628	4.3
128.06194	4.8
129.07013	25.3
131.08543	21.8
133.10118	22.4
135.08051	4.9
135.11653	6.5
137.09631	3.7
142.07759	3.0
143.08582	12.2
145.10120	19.6
145.19933	3.2
147.08075	4.5
147.11682	43.7
149.09662	5.5
152.68420	2.6
155.08553	4.5
157.10143	10.5
161.09483	4.5
161.13316	12.5
163.03868	3.0
163.11157	8.6
164.26567	2.7
165.09071	7.1
171.11671	28.4
175.11171	9.7
185.13248	4.1
188.79773	2.4
189.11211	5.4
189.12749	12.6
193.12244	42.0
207.13795	27.1
209.11681	3.3
211.13248	35.1
223.76939	2.8
227.12726	6.5
249.14854	7.2
267.15842	16.1
281.17447	29.1
335.25916	4.8
336.26147	24.2
358.96301	2.8
363.23071	4.5
381.24194	6.0
399.25162	5.4
455.27911	2.7
473.28995	45.6
491.30481	54.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	6.0
55.01875	34.8
55.05509	48.5
57.03439	13.8
57.07054	3.0
58.70601	2.5
59.03886	2.6
59.04974	8.4
60.55280	2.4
65.03925	5.5
67.05504	61.3
69.03413	5.0
69.07075	13.7
70.64416	3.8
70.64746	5.6
71.01305	3.5
71.04947	11.3
79.05494	74.4
79.05927	2.5
81.03412	44.3
81.07052	60.8
83.01349	24.5
83.04984	40.1
83.08624	29.9
85.02856	12.0
89.99960	2.8
91.05479	58.9
93.07043	81.6
95.04403	2.9
95.04956	35.5
95.08610	31.2
97.02822	9.7
97.06528	19.4
97.10118	5.3
99.04417	7.1
103.05432	3.6
105.04456	3.2
105.07025	34.9
107.04957	33.8
107.08586	43.8
109.02852	2.9
109.06532	23.5
109.10123	7.4
111.04378	12.4
111.08024	8.3
115.05366	3.4
117.06995	26.5
119.08573	33.5
121.06522	14.1
121.10143	33.8
123.08067	31.1
125.05941	6.8
125.09586	7.3
129.06921	4.9
130.07751	4.7
131.08556	19.8
133.10033	10.0
135.07967	7.8
135.11678	42.4
137.09535	6.4
145.06459	6.4
145.09113	3.7
145.10109	54.3
147.07928	8.7
149.09627	3.2
153.12648	12.8
155.08522	5.9
163.11172	99.3
165.09079	5.4
173.09656	15.7
181.12157	12.6
191.10677	13.4
199.66090	2.8
209.10086	2.9
209.11684	31.5
227.12776	18.6
233.71083	2.9
283.15353	4.3
459.27069	3.7
491.25867	100.0
492.26279	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	491.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.4
55.01860	1.4
57.03439	9.6
59.06107	1.0
60.04515	0.9
61.02921	2.2
65.47355	0.9
67.05501	1.3
69.03426	4.2
70.06590	4.2
71.04977	1.0
71.50821	1.6
72.08154	1.9
73.02513	1.3
73.02914	18.0
78.37324	0.9
79.05479	5.8
81.03441	2.2
81.07052	3.8
84.08145	1.5
85.02912	5.2
85.07640	2.4
86.06039	1.4
90.64153	1.0
91.05489	7.4
93.07021	2.2
94.04205	2.1
95.04949	2.6
97.02884	2.7
101.76832	1.0
103.05486	7.5
103.08726	1.5
105.07027	5.2
107.04966	5.4
109.02879	1.5
109.06528	5.1
111.04410	1.1
115.03922	2.3
115.05465	4.0
116.20956	0.8
117.07022	3.1
119.04936	1.1
120.08113	0.9
121.06506	2.9
122.03609	4.8
123.04420	1.7
124.67410	1.1
129.06967	1.8
131.04929	9.8
132.08174	1.0
133.06480	3.6
135.04381	1.9
135.08044	1.7
137.05974	100.0
138.06319	2.1
139.03909	2.1
143.04927	4.2
144.05658	1.2
145.06441	1.8
146.03596	2.5
147.04404	2.1
147.08020	2.0
149.05962	6.3
150.09036	1.1
151.03879	4.0
151.07558	2.6
155.04912	1.3
157.06477	1.5
159.08122	1.5
161.05972	21.0
162.06767	4.7
162.09134	1.5
163.07538	49.2
165.05479	3.8
165.07010	4.3
165.09167	1.9
166.07736	2.1
167.07051	2.9
174.06775	1.7
175.07542	11.9
177.05484	1.2
177.07011	1.9
177.09178	1.2
178.07706	2.2
179.07123	1.9
179.08591	4.5
187.07492	8.0
189.06929	1.8
189.09128	5.6
190.07678	5.3
191.08546	16.2
193.06552	2.8
194.07233	10.7
195.08066	1.9
201.07062	1.3
201.09242	1.3
202.07776	2.1
203.08627	3.0
205.06488	7.1
206.07314	2.8
207.08073	7.8
208.08846	4.5
209.09618	1.4
211.07631	1.8
211.09628	1.3
218.07291	5.7
219.08060	29.5
220.08809	4.5
221.06015	5.2
221.09503	1.9
222.06761	10.1
223.11101	1.7
224.08362	2.3
225.09059	2.2
227.06985	1.2
231.08080	2.2
233.06062	2.1
233.09650	1.8
234.06712	2.2
235.07571	4.8
236.08325	9.0
237.09094	10.7
239.06995	1.6
239.10690	5.7
244.06752	1.0
246.06868	2.1
247.07562	16.6
248.08357	4.9
249.05504	1.3
249.09055	3.2
250.06206	2.8
250.10045	1.5
251.06781	1.7
251.10661	14.7
252.08115	1.5
253.08632	2.9
254.09390	1.4
259.07663	1.9
260.08176	1.4
261.09052	3.7
263.07043	2.4
263.10785	2.7
264.07855	7.8
265.08575	37.8
266.09418	2.0
267.10172	6.7
268.10858	1.5
269.07996	1.4
275.07468	1.0
277.08609	2.2
279.10150	47.1
280.10754	6.6
281.08105	3.4
281.11719	1.7
282.08801	1.7
283.09686	1.0
283.12903	1.0
287.05502	2.7
291.10175	6.0
293.14920	2.3
295.09692	13.1
296.10452	3.6
297.11215	35.7
298.11786	1.8
299.12772	23.0
309.11166	5.3
310.11990	11.1
311.12778	59.8
311.16019	7.5
312.13181	2.2
313.14297	12.4
323.12857	2.3
325.14343	1.5
329.13864	7.3
341.13824	49.8
342.14127	1.8
359.11795	1.0
418.85602	1.1
473.23080	2.3
491.22357	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	489.3575
Annotation	Orthosphenic acid
Peak:m/z	Relative Intensity
52.04871	2.7
55.01874	2.8
55.05513	21.1
57.03428	4.8
57.67160	2.4
65.03944	3.9
67.05503	61.2
69.07069	17.8
70.08681	4.0
70.09078	7.1
71.04976	4.6
72.76652	2.2
73.47807	2.3
79.05487	29.6
81.07051	37.9
83.04970	3.5
83.08627	12.6
85.06542	6.8
91.05473	27.3
93.07034	37.0
95.08604	27.2
97.06538	4.3
97.10152	4.2
98.20861	3.5
105.07030	27.2
107.08580	23.0
109.10148	33.5
110.42387	2.8
117.07018	12.2
119.08570	32.8
121.10129	14.5
127.75353	3.2
129.07063	5.9
131.08539	17.2
133.10103	24.6
135.11719	12.3
136.59483	2.3
139.78586	2.7
141.06950	3.2
143.08546	4.8
145.10124	16.3
147.04442	5.1
147.11673	13.2
149.13245	4.2
152.23514	2.6
155.08597	3.7
157.10188	8.2
159.11711	11.3
161.13217	5.7
169.10138	3.9
171.11757	8.2
173.11745	7.6
173.13292	8.7
175.14835	4.5
175.58272	3.0
183.11685	4.3
185.13232	4.2
187.14888	6.0
197.13333	3.0
199.14902	3.3
201.16368	3.8
211.14917	4.1
213.14810	4.1
233.51442	2.8
261.22336	3.9
276.35742	2.5
294.57224	3.1
323.09799	2.5
379.30032	11.1
397.31036	12.7
415.32291	6.2
433.33450	3.4
471.34537	13.9
489.35849	100.0
490.36127	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	489.3423
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69683	1.8
53.03942	6.0
55.01869	11.7
55.05508	11.9
57.03428	3.2
57.07059	7.4
58.22536	2.0
61.02906	2.8
65.03928	3.5
67.05183	2.8
67.05506	26.4
69.03432	15.6
69.07075	37.1
70.06569	2.8
71.04975	6.4
71.08616	2.1
71.51700	3.7
72.32867	2.0
73.02925	2.9
79.05508	16.2
79.81108	2.1
81.03419	13.3
81.07059	85.2
83.04973	4.9
83.08633	13.9
85.02906	21.7
85.06549	6.3
86.09702	3.3
86.60971	2.0
91.05491	20.0
93.07043	22.2
94.04163	3.3
95.04957	13.2
95.08607	60.0
97.02893	14.0
97.06508	8.2
97.10155	7.4
97.47214	1.9
99.04491	3.7
99.08093	5.1
101.31204	2.2
101.76855	2.2
103.05453	9.1
105.07052	15.1
107.04957	13.0
107.08593	25.4
108.05217	2.5
109.02895	17.2
109.06522	3.7
109.09396	2.4
109.10155	47.5
111.04418	3.8
111.08062	9.8
111.11709	6.6
115.05434	4.2
117.03327	2.1
117.07046	5.2
119.04919	12.3
119.07785	2.0
119.08588	13.0
121.06491	4.8
121.10153	12.9
122.03648	8.5
123.04428	7.1
123.11718	22.6
123.35434	2.1
125.02301	2.6
125.05996	4.1
127.03899	7.2
127.11193	2.2
127.80966	1.9
129.07008	4.5
131.04936	20.3
133.02838	4.4
133.06461	7.3
133.10147	7.9
135.04379	5.6
135.08012	3.1
135.11670	14.5
137.05981	100.0
137.09604	22.5
137.13237	16.1
138.06337	3.2
139.03891	3.3
139.11151	4.9
144.05632	2.6
145.06442	7.1
145.10074	2.6
146.03612	4.5
147.04416	32.5
147.08090	2.6
147.11702	7.2
148.05087	2.4
149.05984	6.2
149.13261	17.0
151.03880	7.2
151.07564	13.5
151.11058	2.5
151.14832	4.2
153.12744	8.8
155.10585	4.1
156.05650	2.1
159.08023	4.0
160.05194	3.2
161.05968	18.5
161.13240	5.5
163.04001	2.5
163.07535	12.3
163.14787	6.6
165.05487	7.0
165.09117	27.7
165.12827	3.6
165.16344	2.7
166.05939	2.6
167.07059	28.0
173.05939	4.7
175.07530	13.1
177.05479	11.6
177.16422	6.5
178.05777	2.7
179.07069	33.6
181.04956	17.1
183.10258	2.5
187.07544	8.5
189.05432	3.6
189.07170	2.3
189.09061	4.1
189.16431	2.6
191.07021	12.4
191.18002	3.3
195.06502	2.7
199.07567	3.2
201.05400	3.9
201.11171	3.1
203.06993	7.5
203.17889	2.3
205.08521	3.9
205.19550	3.2
211.07484	4.2
213.09103	2.5
215.06995	5.1
217.08638	3.3
217.19574	4.6
219.07983	3.0
229.08575	2.4
233.07956	4.1
234.06557	3.5
235.09785	2.7
239.06850	2.6
239.09114	2.9
241.00220	2.1
245.08002	3.5
247.09633	2.8
249.09103	4.0
250.09250	2.2
257.07819	3.4
261.25903	3.9
264.07486	2.8
265.08551	4.1
266.09103	2.2
273.25739	6.5
277.08545	5.0
279.26788	6.0
291.10501	2.9
291.26785	14.5
297.11429	4.5
304.46164	2.3
307.09634	3.8
309.11230	5.9
309.27917	9.3
315.09671	3.8
317.22946	3.3
321.11197	2.8
327.14398	3.5
335.12738	9.8
335.24078	10.0
339.12341	3.5
347.12845	4.6
365.13901	3.7
415.13644	2.3
416.14725	2.9
432.11188	2.5
458.16583	2.3
459.16461	3.1
471.17825	6.2
489.17670	23.8
489.23718	5.2
489.33722	4.7
490.18314	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	489.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.4
55.01872	0.3
55.05502	1.4
56.96576	0.2
57.03429	0.2
57.07053	0.3
67.05508	6.0
69.03419	0.9
69.07063	1.0
70.06575	0.2
71.04976	0.8
71.51276	0.3
71.51661	0.3
74.43501	0.2
79.05492	1.3
81.03412	1.4
81.07059	4.8
83.04980	0.7
83.08639	0.4
85.02908	0.8
85.06541	2.0
86.09716	0.3
91.05491	1.6
93.07030	2.2
95.04965	1.1
95.08611	11.3
97.02856	0.4
97.06538	0.8
97.10145	0.4
98.52361	0.2
99.04447	1.3
101.05993	0.4
103.05440	0.3
105.07030	1.1
107.04958	0.9
107.08605	1.4
109.02879	1.1
109.06493	0.3
109.10161	7.7
111.08070	0.5
113.06001	2.7
113.09657	1.4
115.05431	0.4
117.07022	0.8
119.04984	0.3
119.08577	3.6
121.06503	0.5
121.10133	1.3
122.07308	1.7
123.04456	0.5
123.08079	2.9
123.11691	1.5
125.09604	0.3
127.03908	0.9
129.07016	0.4
129.09085	0.8
131.04956	0.5
131.08588	0.3
133.10123	0.5
135.04408	0.2
135.08037	0.3
135.11676	0.6
137.05981	2.0
137.09619	15.0
139.07524	0.4
141.09105	4.4
145.06465	0.9
145.10136	0.4
147.08034	0.5
147.11705	0.3
148.05162	0.5
149.09637	2.6
149.13274	0.5
151.03899	0.3
151.07550	4.2
151.11203	0.3
153.09050	0.3
155.10660	0.7
157.08626	0.6
159.10225	0.4
159.11708	0.6
161.05966	0.4
161.09601	0.3
161.13245	0.7
165.09116	100.0
166.09473	1.2
167.07043	5.4
169.08611	1.1
173.05980	0.8
175.07545	0.5
175.11182	1.1
177.09102	0.6
177.12752	0.4
179.10690	0.6
181.04948	3.4
183.10168	0.7
187.07864	0.4
187.09663	3.7
187.11211	0.3
189.09134	0.5
189.12744	0.5
191.07040	0.4
201.11250	1.0
203.06990	0.3
203.10678	4.0
203.14407	0.4
205.12228	2.1
207.10164	0.7
220.07285	0.4
229.19565	0.3
235.09761	0.5
237.15921	0.2
239.09128	0.5
245.13103	0.3
245.15390	0.4
273.22195	0.3
291.23239	0.4
293.21127	0.6
307.09366	0.3
307.22662	0.8
319.22635	0.7
325.23874	0.5
327.14398	0.4
337.23718	3.9
385.13000	0.3
386.13583	0.3
416.14557	0.8
425.30490	1.1
443.31326	0.7
459.16568	1.0
471.17929	0.3
471.30878	0.8
489.17960	4.8
489.32306	1.2
490.18842	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64871	0.2
53.03934	0.4
53.74280	0.2
55.01863	0.6
55.05272	0.3
55.05511	3.8
57.03429	2.1
57.07063	0.4
62.82770	0.3
65.03937	1.1
67.05503	11.3
69.07057	3.0
69.99767	1.4
71.04984	0.4
73.02908	0.4
79.05488	5.6
81.03386	0.3
81.07052	11.8
83.04966	0.5
83.08614	2.6
85.06523	0.3
86.91697	0.2
91.05479	11.5
93.07037	5.4
95.04961	0.8
95.08603	10.5
97.06526	1.9
97.10175	1.3
99.08075	0.4
105.07033	2.2
107.04987	0.3
107.08581	3.7
107.25417	0.3
109.06493	0.3
109.10156	4.6
111.08080	0.9
117.06996	0.6
119.04936	20.7
119.08569	1.7
121.10137	4.6
123.04370	0.3
123.08015	0.2
123.11694	2.2
129.05469	0.5
131.08536	1.2
133.10121	3.6
135.11688	3.5
136.15887	0.3
137.09601	1.0
137.13258	0.4
145.10115	1.0
147.04398	100.0
147.11690	0.8
148.04750	1.3
149.09540	0.3
149.13213	1.2
151.11095	1.1
155.10580	0.3
156.19882	0.2
159.11705	0.6
165.05467	17.1
173.13290	0.6
187.14767	0.4
195.13765	0.4
215.17967	2.0
221.08043	1.4
233.18942	2.6
251.20084	2.5
325.23700	14.0
326.23999	0.3
471.27527	0.4
489.28384	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99973	0.9
53.03934	1.6
55.01857	2.5
55.05512	10.3
57.03425	2.8
58.73709	0.9
65.03938	2.6
67.05505	26.5
69.07071	10.3
69.87015	4.8
71.04980	1.1
77.03967	0.8
79.05494	20.2
81.03413	1.5
81.07053	39.0
81.07533	2.0
82.07381	1.0
83.04961	1.8
83.08607	6.5
84.99208	0.9
91.05480	23.6
93.07043	18.2
95.04981	4.4
95.08609	21.9
97.06532	3.7
97.10158	3.3
99.08105	1.1
103.05440	1.2
105.07041	10.1
107.04982	4.5
107.08587	9.6
109.06512	3.9
109.10152	13.1
111.08062	2.3
117.07021	4.9
119.04944	23.9
119.08581	10.5
121.06526	2.1
121.10147	12.6
123.08054	5.0
123.11681	5.2
125.09632	2.1
129.07018	2.7
131.08577	6.6
133.02832	1.1
133.06415	1.2
133.10121	8.2
135.08046	1.8
135.11705	6.1
137.09615	3.1
137.13231	1.4
145.06480	1.3
145.10126	4.1
147.04407	100.0
147.08070	2.7
147.11702	3.2
148.04689	1.7
149.05974	2.0
149.09575	3.1
149.13246	2.7
151.11153	3.1
157.06525	1.2
157.10185	1.5
159.04431	1.8
159.11655	3.1
161.02299	1.7
161.09584	2.6
163.03867	6.9
163.07597	1.8
163.11197	2.2
165.05478	13.6
171.11745	1.1
173.02361	4.2
173.06027	1.4
173.13326	1.9
175.03935	1.1
175.11218	1.1
177.12749	1.1
185.13293	0.9
187.03905	2.2
187.14812	1.4
193.12260	1.3
199.03943	3.6
201.05499	1.7
213.05513	2.3
215.17979	5.0
221.08012	1.1
233.19060	3.6
245.18945	1.0
251.19954	5.0
273.18433	5.6
274.19156	1.4
281.16678	1.7
283.13336	3.1
291.19516	1.3
311.12689	2.6
325.23730	19.1
345.08832	1.4
391.22684	1.0
412.87515	0.9
416.63120	0.9
417.20462	1.3
435.21655	2.9
443.19788	2.8
471.19443	5.1
471.34537	2.2
489.28412	2.6
489.35675	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	489.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.3
55.01869	1.0
55.05506	7.4
56.96555	0.8
57.03428	4.1
57.07071	1.7
57.58818	0.6
59.04987	1.2
65.03917	1.0
67.05502	24.4
69.03410	2.8
69.07063	5.0
71.02091	0.8
71.02415	1.3
71.04962	1.4
79.05487	10.6
81.03420	1.5
81.07050	20.8
83.04975	1.2
83.08610	2.8
85.06532	1.9
91.05475	9.4
93.07037	18.2
95.04958	3.0
95.08602	31.0
97.06522	1.6
97.10155	1.2
98.98457	19.7
99.08085	1.5
105.07024	6.7
107.04923	1.7
107.08585	9.0
109.06495	2.0
109.10145	37.8
111.08051	1.3
113.09654	1.2
117.06995	2.3
119.08566	9.3
121.06478	0.7
121.10120	11.8
122.07235	1.5
123.08051	1.6
123.11710	1.9
125.09626	1.1
127.11184	0.8
129.06981	0.8
131.08530	4.7
133.10106	4.1
135.08054	2.2
135.11700	4.5
136.99921	0.9
137.09602	18.1
139.07498	2.2
145.10094	3.8
147.04391	2.5
147.08037	1.5
147.11650	3.0
149.09592	9.7
149.13269	1.9
150.10921	0.8
154.94160	1.0
155.01027	20.5
155.10608	4.2
159.11748	3.6
161.09593	1.4
161.13263	1.9
163.03822	1.1
163.11142	2.4
163.14795	1.3
165.09102	100.0
166.09399	1.0
171.11607	0.8
172.95203	2.4
173.09608	0.9
173.11740	2.7
173.13216	1.9
175.11177	2.0
175.14828	0.7
177.09056	3.5
179.10588	1.2
183.10168	2.4
187.11191	1.3
187.14839	1.3
189.09151	1.9
189.12740	1.3
190.09818	1.4
190.96254	1.1
191.10687	3.0
191.14238	0.8
199.11206	1.9
201.11150	3.0
201.12759	1.6
203.10667	6.5
205.12236	17.7
207.13708	0.9
217.12259	2.7
229.04733	1.8
229.12277	1.1
233.22539	1.0
243.21080	6.9
261.22116	14.4
273.18259	0.9
299.23557	0.9
315.19537	2.7
317.21368	0.8
317.24796	2.1
327.04333	0.7
335.19406	1.0
335.25748	20.9
336.26053	1.6
425.30383	2.0
443.31549	3.3
453.30118	1.1
471.18188	3.1
471.25003	2.7
471.30945	1.9
489.31897	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	489.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	6.4
55.05505	28.7
60.47436	4.9
64.65746	5.4
67.05499	39.5
69.07068	8.6
70.66828	14.8
75.42918	4.8
79.05495	46.9
81.03392	15.9
81.07055	55.7
82.80412	4.8
83.04976	12.4
83.08616	9.3
84.15643	5.8
84.98907	5.2
91.05474	35.0
93.07050	37.9
95.04975	34.1
95.08610	13.0
97.10129	6.4
105.07031	24.4
107.04948	12.2
107.08589	14.3
109.06486	9.8
109.10111	7.1
112.34998	5.5
115.05364	6.3
116.75078	5.3
117.07005	11.4
119.08603	25.8
121.06503	7.9
121.10117	9.2
123.08110	8.6
125.09641	8.2
128.16692	4.8
129.07010	9.2
131.08513	9.4
133.10114	9.0
145.10139	11.4
147.08037	9.4
147.11653	13.5
149.09679	7.0
157.10205	6.6
161.09605	6.0
161.13161	6.5
163.03883	9.7
163.11166	8.6
165.09135	9.3
171.11644	14.3
173.02377	7.1
173.06068	6.2
199.04016	6.2
207.13843	6.8
213.05533	6.1
226.94490	6.0
273.18454	16.0
291.19495	100.0
311.12811	5.8
489.28305	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	489.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	12.3
55.01867	12.1
55.05509	37.8
57.03419	10.2
59.04993	6.7
65.03934	5.7
67.05503	79.5
69.03420	5.1
69.07072	20.4
69.72803	13.9
71.04977	7.7
72.20650	2.6
79.05492	100.0
81.03424	22.9
81.07059	70.6
82.22733	3.0
83.01329	7.8
83.04977	29.3
83.08617	17.3
85.02898	7.1
85.06519	5.8
86.09704	7.0
91.05477	95.3
93.07042	97.4
94.07431	3.1
94.90340	3.8
95.04960	37.7
95.08604	44.4
97.06532	14.2
97.10172	7.1
99.08062	2.9
103.05420	4.7
104.10734	5.7
105.04565	2.7
105.07030	48.0
107.04951	23.1
107.08598	36.9
109.06511	15.0
109.10150	12.9
111.04414	4.4
111.08110	4.8
115.05416	3.9
117.07006	19.7
119.04918	13.0
119.08577	37.4
121.06522	6.5
121.10117	18.7
123.08080	14.3
128.06238	5.3
129.07005	19.2
131.08557	9.4
133.06422	3.1
133.10092	14.5
135.11685	16.5
137.09579	4.7
143.08551	11.6
145.10110	29.0
147.04408	61.8
147.08061	3.4
147.11693	42.9
159.11653	4.9
161.09593	3.9
161.13242	11.3
163.11215	31.5
165.05461	8.4
165.09222	3.2
169.06403	2.9
171.11696	29.1
173.09616	4.3
176.61909	2.8
179.14264	3.1
181.12195	6.4
184.07336	11.9
189.12756	10.9
191.10661	2.7
207.13783	32.7
209.11703	5.6
225.14944	5.7
227.12862	5.1
265.14386	3.7
307.83438	3.8
325.23752	9.4
455.07803	2.9
471.17923	5.9
471.27383	6.8
489.18365	3.4
489.20184	3.9
489.28445	82.2
490.29019	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	489.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	4.9
55.01870	4.7
55.05498	11.9
60.86854	3.4
67.05502	33.5
69.03442	3.3
69.07067	12.7
69.87307	20.4
72.62079	3.0
79.05479	38.8
81.03414	12.9
81.07053	64.1
83.04981	8.3
83.08595	10.3
91.05472	29.1
93.07030	29.8
95.04983	16.7
95.08605	19.4
97.06543	4.6
97.10161	7.6
98.21473	4.2
105.07023	22.9
106.17474	3.5
107.04949	17.4
107.08619	24.1
109.06529	7.0
109.10176	10.0
117.07028	12.3
117.77416	3.2
119.08617	25.3
121.06512	11.2
121.10155	10.2
123.08064	9.8
125.09605	10.5
128.06271	4.9
129.07004	5.3
131.04988	3.7
131.08571	9.0
133.06497	7.9
133.10130	10.7
135.04405	5.9
135.11696	10.6
137.05957	3.9
137.09625	4.9
138.83369	3.2
145.06479	5.2
145.10143	20.2
147.04367	3.7
147.08086	9.6
147.11745	10.0
149.09631	10.1
151.07487	4.1
159.04427	6.5
159.08031	5.9
159.11696	5.2
163.03951	14.9
163.11169	13.3
165.09137	11.7
167.07065	8.7
171.11668	5.9
173.02345	11.6
173.05962	4.3
187.03929	9.8
193.12202	3.5
199.03870	10.1
201.05508	5.3
205.12173	4.5
213.05560	7.2
224.58028	4.2
227.12784	13.7
256.55280	3.7
267.13940	4.4
273.18509	19.5
291.19547	100.0
292.20114	7.4
311.12750	10.1
327.04929	3.6
329.66876	3.4
344.58514	3.9
373.20724	3.3
403.29172	3.3
435.21344	7.2
453.22330	4.7
472.82254	3.5
489.17490	7.4
489.28214	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	489.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.6
53.65442	2.9
57.03429	4.2
67.05504	21.3
69.03409	9.1
69.60996	7.1
69.61405	13.8
70.06541	3.0
71.04996	17.6
79.05495	6.5
81.03425	18.1
81.07056	11.9
85.02904	30.1
85.04124	3.3
86.09667	4.4
91.05476	7.9
93.07047	4.1
95.04962	6.0
95.08604	10.8
97.02900	4.2
99.04469	4.5
103.05466	7.2
105.06986	5.4
107.04971	7.1
107.08595	6.3
109.02880	8.5
109.06538	4.0
109.10153	33.0
111.04453	6.5
115.05450	6.5
117.06995	4.0
119.08551	4.9
121.06559	3.2
122.03605	4.2
123.08070	4.7
127.03896	11.6
129.06955	3.8
131.04921	12.1
133.02853	5.0
135.04411	10.7
135.08124	3.8
137.05972	100.0
137.09612	56.4
138.06320	3.8
143.04927	3.6
145.02776	3.3
145.06432	3.9
149.06076	3.9
151.03864	6.2
151.07515	27.3
153.06911	3.9
161.05968	11.4
163.03923	38.8
163.07550	15.3
165.05490	4.3
165.07010	3.3
165.09103	60.2
167.07019	16.0
167.22334	3.4
171.08005	5.0
173.05928	2.9
175.07549	19.3
177.05542	3.6
177.09103	36.3
181.04948	6.8
183.00916	3.9
187.07564	7.0
195.10199	11.0
203.06990	4.2
215.06958	4.1
217.08571	3.4
218.07111	3.6
219.08165	4.9
221.11638	5.1
233.09529	3.3
253.08571	3.2
264.07767	4.8
265.08521	9.9
279.10114	4.7
281.11374	3.5
291.10120	5.5
293.11600	6.1
297.11124	9.1
303.10046	3.4
309.11066	12.4
311.05444	5.5
311.12598	16.0
321.11133	5.2
323.12677	6.4
326.10367	4.5
327.10764	6.0
328.08145	4.8
329.13736	4.2
335.12854	8.8
339.12079	5.1
341.13763	14.4
342.14194	3.9
343.15335	18.7
353.13980	4.4
355.15350	7.8
361.14630	3.7
365.13617	6.7
367.15469	9.5
367.88437	3.5
371.15396	3.8
415.17685	5.9
471.19647	10.8
489.17841	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	489.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16924	3.0
58.95759	2.6
59.06115	6.3
67.05505	8.1
68.05020	4.6
69.03426	7.5
79.05472	4.7
81.03431	4.3
84.04538	3.1
85.02916	6.7
85.07668	100.0
86.09707	5.6
89.31216	2.7
91.05492	4.4
93.06983	3.1
95.04954	13.0
97.02885	6.8
107.04951	4.2
109.02892	3.6
109.10148	9.4
119.04983	3.5
121.06479	3.5
123.04451	4.2
125.06094	3.5
127.03968	3.9
131.04994	2.9
133.02856	4.3
137.05975	28.2
137.09628	15.3
147.04419	5.9
151.03923	25.1
161.06010	3.6
163.07533	3.7
165.05479	26.1
165.09131	16.0
177.05421	2.8
187.07491	3.2
193.04948	5.2
215.83795	3.0
225.07578	3.9
309.10980	5.9
309.14276	5.7
330.79968	2.6
489.19907	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	489.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71837	1.1
51.02388	1.0
52.07275	1.3
53.03933	2.3
53.64253	1.0
55.01850	1.3
62.03106	1.1
67.05499	5.5
69.03422	4.1
69.21753	12.1
69.22149	3.1
71.04989	3.3
79.05492	3.7
81.03407	4.4
81.07050	4.0
83.04974	9.0
84.13481	1.1
84.76825	1.3
85.02890	7.1
91.05474	6.1
94.04200	2.4
95.04970	2.3
95.08606	2.6
97.02911	1.6
99.04438	1.5
103.05474	4.4
105.07031	13.4
107.04939	1.5
107.08586	1.1
109.02915	2.4
109.10162	6.8
111.04434	9.0
115.05441	1.6
119.04939	4.5
121.06503	1.9
122.03615	6.8
123.04469	1.5
127.03912	3.3
131.04948	5.4
133.02834	1.3
133.06491	16.8
137.05977	100.0
137.09583	13.9
138.06352	1.3
141.06894	1.3
145.06503	2.3
147.04414	4.9
149.06003	2.2
151.03877	2.3
151.07530	24.5
153.05521	1.5
155.10622	1.7
159.04350	1.0
159.08093	1.4
160.05185	1.4
161.05957	3.6
163.07516	7.7
165.03859	1.2
165.05475	2.1
165.06949	1.2
165.09114	17.8
167.07050	3.9
169.06409	1.3
171.06538	3.9
171.07948	1.1
175.07513	7.7
177.05463	2.5
177.09065	3.3
179.07022	16.8
181.05019	1.4
185.06003	4.3
187.07544	4.9
189.09122	3.1
191.06993	2.5
199.07565	1.4
201.09148	1.8
201.11284	1.5
203.07027	3.4
205.08675	1.3
211.07587	1.9
217.08609	1.8
219.10229	1.5
231.10204	1.5
249.08984	1.3
249.11305	3.3
275.12814	3.6
279.10138	1.3
297.11261	1.7
305.11954	1.6
307.12100	1.6
309.10876	2.4
317.68100	1.2
327.14563	2.8
335.12601	2.0
339.12466	1.2
341.13849	2.8
343.15695	2.0
365.13721	1.2
399.20605	1.4
489.23672	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	489.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.9
55.01866	7.5
55.05502	7.6
56.88080	3.3
57.03439	4.4
57.17215	3.7
65.03917	3.6
67.05495	19.1
69.03420	13.6
69.07062	3.6
69.50053	24.1
71.04993	3.3
77.03930	4.6
79.05492	18.7
81.03424	23.7
81.07057	20.4
83.05001	3.3
85.02922	15.0
91.05468	23.3
93.07040	27.5
95.04970	13.8
95.08600	17.7
97.02888	9.1
103.05453	8.3
105.03348	4.3
105.07029	37.0
107.04945	12.5
107.08581	7.8
109.02884	16.5
109.06519	6.0
109.10160	34.4
113.20002	3.7
115.05450	6.0
116.06217	3.5
117.06995	4.4
119.04924	6.4
119.08571	15.0
121.06479	7.5
121.10143	100.0
122.03647	6.6
123.04445	16.3
123.08037	9.0
123.11690	8.4
125.06055	3.6
127.03951	14.8
128.06177	5.6
129.06970	6.4
131.04922	11.0
131.08604	9.6
133.02859	53.4
133.06496	4.8
133.07535	3.5
135.04353	3.8
137.05975	59.5
137.09616	45.8
145.06476	8.8
147.04456	6.4
147.08043	3.8
149.05991	5.2
149.09616	99.1
151.03943	8.9
151.07533	12.1
153.05478	3.9
157.06555	3.9
159.08044	8.9
161.06044	15.7
163.03937	5.9
163.07538	8.1
165.05484	14.1
165.09123	55.4
167.07045	56.7
167.10648	7.1
173.06047	7.6
175.07530	15.7
177.05455	6.9
179.03413	49.9
179.07037	7.6
181.04948	28.6
183.10130	4.4
187.07550	21.8
189.09097	4.8
191.03374	16.0
191.07013	9.2
199.07690	3.4
201.11244	5.3
206.07100	3.6
210.06836	4.4
213.09212	3.6
217.08591	6.2
223.07689	3.3
234.06770	4.5
235.07632	4.3
239.09102	3.8
247.07512	3.5
248.08328	5.0
249.08975	6.1
253.08572	4.7
260.08340	4.4
261.09097	4.3
263.10541	3.5
264.07919	5.3
267.10074	4.2
277.08548	8.8
279.10046	6.6
283.09735	4.7
285.11212	4.5
289.08340	3.5
292.07013	4.5
293.08099	4.5
293.13867	9.6
299.09088	4.5
299.12613	7.1
303.10147	3.9
307.09525	8.6
309.11142	7.5
309.27988	4.1
311.15027	4.2
321.11243	4.2
324.13525	11.4
325.10574	3.3
325.14288	6.4
335.12735	7.2
339.12250	36.2
339.15839	4.9
416.14478	6.1
457.16254	4.5
459.16528	8.8
471.17358	9.7
489.11499	5.0
489.18231	52.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.9
55.01866	7.5
55.05502	7.6
56.88080	3.3
57.03439	4.4
57.17215	3.7
65.03917	3.6
67.05495	19.1
69.03420	13.6
69.07062	3.6
69.50053	24.1
71.04993	3.3
77.03930	4.6
79.05492	18.7
81.03424	23.7
81.07057	20.4
83.05001	3.3
85.02922	15.0
91.05468	23.3
93.07040	27.5
95.04970	13.8
95.08600	17.7
97.02888	9.1
103.05453	8.3
105.03348	4.3
105.07029	37.0
107.04945	12.5
107.08581	7.8
109.02884	16.5
109.06519	6.0
109.10160	34.4
113.20002	3.7
115.05450	6.0
116.06217	3.5
117.06995	4.4
119.04924	6.4
119.08571	15.0
121.06479	7.5
121.10143	100.0
122.03647	6.6
123.04445	16.3
123.08037	9.0
123.11690	8.4
125.06055	3.6
127.03951	14.8
128.06177	5.6
129.06970	6.4
131.04922	11.0
131.08604	9.6
133.02859	53.4
133.06496	4.8
133.07535	3.5
135.04353	3.8
137.05975	59.5
137.09616	45.8
145.06476	8.8
147.04456	6.4
147.08043	3.8
149.05991	5.2
149.09616	99.1
151.03943	8.9
151.07533	12.1
153.05478	3.9
157.06555	3.9
159.08044	8.9
161.06044	15.7
163.03937	5.9
163.07538	8.1
165.05484	14.1
165.09123	55.4
167.07045	56.7
167.10648	7.1
173.06047	7.6
175.07530	15.7
177.05455	6.9
179.03413	49.9
179.07037	7.6
181.04948	28.6
183.10130	4.4
187.07550	21.8
189.09097	4.8
191.03374	16.0
191.07013	9.2
199.07690	3.4
201.11244	5.3
206.07100	3.6
210.06836	4.4
213.09212	3.6
217.08591	6.2
223.07689	3.3
234.06770	4.5
235.07632	4.3
239.09102	3.8
247.07512	3.5
248.08328	5.0
249.08975	6.1
253.08572	4.7
260.08340	4.4
261.09097	4.3
263.10541	3.5
264.07919	5.3
267.10074	4.2
277.08548	8.8
279.10046	6.6
283.09735	4.7
285.11212	4.5
289.08340	3.5
292.07013	4.5
293.08099	4.5
293.13867	9.6
299.09088	4.5
299.12613	7.1
303.10147	3.9
307.09525	8.6
309.11142	7.5
309.27988	4.1
311.15027	4.2
321.11243	4.2
324.13525	11.4
325.10574	3.3
325.14288	6.4
335.12735	7.2
339.12250	36.2
339.15839	4.9
416.14478	6.1
457.16254	4.5
459.16528	8.8
471.17358	9.7
489.11499	5.0
489.18231	52.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42585	2.4
55.01860	5.8
55.05509	4.3
57.03429	8.5
59.04993	2.5
65.03938	3.8
66.89578	2.2
67.05502	9.3
69.03424	9.2
69.07066	3.7
71.51801	5.3
73.02919	10.3
79.05500	6.5
81.03410	13.0
81.07058	13.4
85.02900	12.3
91.05482	15.0
92.64042	2.5
93.02818	2.1
93.07045	4.8
94.04197	3.7
95.04966	5.2
95.08618	9.2
97.02886	8.0
97.06532	3.9
103.05482	11.7
105.07025	8.4
107.04945	7.8
107.08596	7.7
109.02856	8.2
109.10154	21.2
111.04425	2.8
115.03931	3.1
115.05446	4.6
117.07006	4.0
119.04943	6.6
119.08594	4.6
121.06501	4.1
121.10133	2.9
122.03659	6.6
123.04432	5.2
123.08094	2.7
125.06059	2.7
127.03909	8.0
128.06259	3.4
129.07005	2.8
131.04913	12.1
133.02850	13.7
133.06487	2.9
135.04456	2.7
137.05977	100.0
137.09605	31.7
143.04924	3.0
144.05736	3.4
145.06470	6.5
146.03606	5.1
147.04433	15.7
148.05164	2.6
149.05963	7.5
151.03938	7.1
151.07564	8.0
153.05444	4.6
159.08044	4.2
160.05185	4.3
161.06001	18.3
163.07524	11.0
164.20859	2.1
165.05479	9.9
165.06891	3.1
165.09109	36.0
166.06230	2.7
167.07025	35.1
173.05986	7.2
175.07585	14.1
177.05472	6.7
179.07030	15.4
179.08412	2.9
181.04944	15.1
185.05995	3.4
187.07541	10.0
189.06885	4.9
189.09038	2.2
191.07047	6.7
191.08618	4.0
193.08598	2.3
201.11174	3.3
203.07005	4.7
205.06631	3.5
205.08643	4.0
215.07031	6.6
217.06512	2.3
217.08644	2.9
218.07254	7.4
219.08049	10.8
229.06548	2.6
234.06834	3.6
235.07616	5.8
236.08226	2.5
237.09152	3.3
239.09093	3.4
246.06706	6.2
247.07547	10.9
249.09093	8.5
251.10735	2.8
253.08777	3.1
261.09128	10.2
263.06873	5.0
264.07806	5.0
265.08557	4.6
274.06314	3.3
275.07080	6.7
277.08752	13.3
278.09482	2.9
279.10013	5.6
289.08609	15.8
291.10352	5.9
292.07239	2.7
294.09067	3.2
295.09680	3.2
298.09869	2.3
302.09073	2.6
306.08801	4.4
307.09625	27.9
308.10538	2.7
309.11188	9.7
321.11267	33.9
323.12750	4.2
327.11987	20.8
339.12241	25.7
357.13306	12.1
416.14694	5.2
459.16437	4.6
471.17703	4.5
489.11520	4.6
489.18039	29.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42585	2.4
55.01860	5.8
55.05509	4.3
57.03429	8.5
59.04993	2.5
65.03938	3.8
66.89578	2.2
67.05502	9.3
69.03424	9.2
69.07066	3.7
71.51801	5.3
73.02919	10.3
79.05500	6.5
81.03410	13.0
81.07058	13.4
85.02900	12.3
91.05482	15.0
92.64042	2.5
93.02818	2.1
93.07045	4.8
94.04197	3.7
95.04966	5.2
95.08618	9.2
97.02886	8.0
97.06532	3.9
103.05482	11.7
105.07025	8.4
107.04945	7.8
107.08596	7.7
109.02856	8.2
109.10154	21.2
111.04425	2.8
115.03931	3.1
115.05446	4.6
117.07006	4.0
119.04943	6.6
119.08594	4.6
121.06501	4.1
121.10133	2.9
122.03659	6.6
123.04432	5.2
123.08094	2.7
125.06059	2.7
127.03909	8.0
128.06259	3.4
129.07005	2.8
131.04913	12.1
133.02850	13.7
133.06487	2.9
135.04456	2.7
137.05977	100.0
137.09605	31.7
143.04924	3.0
144.05736	3.4
145.06470	6.5
146.03606	5.1
147.04433	15.7
148.05164	2.6
149.05963	7.5
151.03938	7.1
151.07564	8.0
153.05444	4.6
159.08044	4.2
160.05185	4.3
161.06001	18.3
163.07524	11.0
164.20859	2.1
165.05479	9.9
165.06891	3.1
165.09109	36.0
166.06230	2.7
167.07025	35.1
173.05986	7.2
175.07585	14.1
177.05472	6.7
179.07030	15.4
179.08412	2.9
181.04944	15.1
185.05995	3.4
187.07541	10.0
189.06885	4.9
189.09038	2.2
191.07047	6.7
191.08618	4.0
193.08598	2.3
201.11174	3.3
203.07005	4.7
205.06631	3.5
205.08643	4.0
215.07031	6.6
217.06512	2.3
217.08644	2.9
218.07254	7.4
219.08049	10.8
229.06548	2.6
234.06834	3.6
235.07616	5.8
236.08226	2.5
237.09152	3.3
239.09093	3.4
246.06706	6.2
247.07547	10.9
249.09093	8.5
251.10735	2.8
253.08777	3.1
261.09128	10.2
263.06873	5.0
264.07806	5.0
265.08557	4.6
274.06314	3.3
275.07080	6.7
277.08752	13.3
278.09482	2.9
279.10013	5.6
289.08609	15.8
291.10352	5.9
292.07239	2.7
294.09067	3.2
295.09680	3.2
298.09869	2.3
302.09073	2.6
306.08801	4.4
307.09625	27.9
308.10538	2.7
309.11188	9.7
321.11267	33.9
323.12750	4.2
327.11987	20.8
339.12241	25.7
357.13306	12.1
416.14694	5.2
459.16437	4.6
471.17703	4.5
489.11520	4.6
489.18039	29.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89918	0.9
51.34437	0.8
53.03931	1.3
55.01878	1.2
55.05506	2.1
62.74146	1.0
65.03938	4.5
67.05507	6.3
69.03419	3.4
69.07065	2.0
69.70363	0.8
71.04984	1.2
71.50192	1.1
78.04690	1.3
79.05492	5.9
79.40421	0.9
81.03414	3.7
81.07050	5.8
82.04187	1.1
85.02895	4.4
91.05474	9.2
92.06247	1.3
93.07015	2.9
95.04970	3.4
95.08611	4.2
97.02909	1.6
97.06507	1.8
103.05468	4.4
105.07030	3.4
106.04160	1.4
107.04942	10.8
107.08588	3.1
109.02888	3.4
109.10148	7.1
110.03661	1.5
115.05448	5.2
116.21286	1.0
117.07011	7.5
119.04961	2.2
119.08581	3.7
120.05754	2.0
121.06492	4.2
121.10143	2.5
123.04427	7.3
124.05196	2.7
125.06001	2.0
127.03896	2.2
129.06969	1.3
131.04901	5.2
131.08530	2.0
133.02806	1.5
133.06458	2.4
133.10164	1.8
134.03717	0.9
135.04404	3.5
135.08093	1.5
137.05991	7.3
137.09602	11.3
142.02626	2.2
143.04861	1.4
145.06483	10.1
145.10222	1.0
146.03441	0.9
147.04431	3.0
147.08009	2.4
147.11684	0.9
148.05188	7.2
149.05989	2.2
151.03886	2.6
151.07555	12.1
152.04663	1.9
153.05461	1.2
155.06021	2.5
155.10686	1.3
157.06535	0.9
159.04460	1.5
159.11691	1.8
161.06003	2.8
163.07542	3.5
165.05476	11.7
165.09094	14.1
165.10382	1.5
165.34094	1.0
166.06223	1.6
167.07031	100.0
168.07343	1.2
169.10065	1.1
171.06517	3.5
173.05977	16.9
173.13235	1.3
174.06868	1.0
175.07527	3.1
175.14896	1.4
177.05501	1.9
181.04945	61.9
187.07520	1.1
189.05566	1.1
189.12727	1.1
191.06998	10.4
203.07027	3.2
203.14217	1.2
205.05002	1.7
205.08586	5.8
205.15982	1.3
207.06493	1.0
209.07976	1.1
217.04968	2.5
220.07256	7.1
221.08083	1.8
233.08075	6.1
235.09665	5.6
239.09140	10.6
253.07054	1.8
258.95441	0.9
305.10297	1.8
329.13785	1.3
355.11685	2.1
357.13235	1.3
385.12686	7.5
386.13654	4.7
398.13651	2.5
401.11862	1.1
415.13681	1.4
416.14633	14.9
417.28384	0.9
459.16507	19.4
471.17865	1.4
471.31168	3.0
489.17578	62.2
489.32233	3.6
490.17416	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.1
55.01868	1.2
55.05500	1.0
65.03934	4.3
66.66235	0.5
67.05502	3.5
68.99763	0.7
69.03394	1.7
69.98225	1.0
69.98588	2.7
78.04701	2.8
79.05493	4.2
81.03403	2.5
81.07041	1.8
82.04189	1.7
85.02901	3.6
89.03909	0.8
89.30696	0.6
91.05481	8.8
92.06252	0.8
93.03394	1.3
93.07032	1.4
95.04967	3.6
95.08595	2.1
95.75684	0.5
97.02888	0.9
97.06517	1.6
103.05466	5.1
105.03379	0.7
105.07032	2.0
106.04161	1.7
107.04951	10.8
107.08611	0.7
109.02883	1.0
109.06502	1.0
109.10140	2.3
110.03657	2.5
111.04428	1.6
115.05447	4.6
117.07023	7.1
118.04142	1.2
119.04945	2.4
119.08560	1.1
120.05714	2.3
121.06496	2.5
121.10159	0.8
122.03661	0.7
123.04440	7.1
123.11638	0.6
124.05198	2.5
125.05999	3.1
127.03888	1.1
127.05433	0.8
129.06972	1.2
130.04121	0.6
131.04916	5.1
132.05646	0.8
133.02803	1.1
133.06490	2.0
135.04387	3.0
137.05965	5.6
137.09625	2.1
138.03090	1.6
142.02606	2.1
143.04916	1.2
144.05673	1.0
145.06491	10.9
146.88277	0.6
147.04398	3.0
147.08038	1.5
148.05208	6.9
149.05988	1.5
151.03917	1.8
151.07553	13.0
152.04668	2.3
153.05482	1.9
155.04959	0.8
155.06029	4.3
159.04352	0.9
159.08087	0.7
160.05254	0.8
161.05974	2.1
163.07591	3.5
165.05472	11.4
165.09123	4.9
166.06242	1.7
167.07039	100.0
168.07478	0.7
171.06512	3.7
173.05995	17.1
175.07515	2.9
177.05479	1.7
179.07021	1.1
180.07782	1.0
181.04958	60.6
185.06021	0.8
187.07590	1.4
189.05444	1.6
189.09143	0.9
190.06235	1.0
191.07056	10.8
191.08774	0.4
193.08684	1.0
201.05470	1.0
203.06979	4.0
205.04970	3.2
205.08606	6.6
207.08191	0.6
209.08113	0.7
217.05092	0.7
220.07303	7.4
221.07904	0.8
233.08031	6.6
235.09651	6.1
239.06972	1.1
239.09149	12.5
247.07603	0.9
253.06990	2.9
261.08987	0.8
291.09869	0.8
293.08209	0.7
305.10309	1.7
307.09637	0.6
309.10834	0.7
355.11832	2.3
368.12851	0.8
385.12863	7.4
386.13651	5.7
387.14151	1.0
398.13647	2.4
400.11539	1.0
415.13953	2.2
416.14636	14.3
417.15100	0.9
429.15619	1.1
430.12888	0.9
459.16501	20.6
460.17746	0.7
471.16687	0.9
489.17599	69.4
490.18027	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.0
55.01870	2.0
55.05507	1.6
65.03934	4.8
67.05506	6.5
69.03430	3.4
69.07054	1.8
70.06591	3.0
71.49936	1.0
71.50307	1.7
78.04710	3.6
79.05501	6.6
81.03443	5.6
81.07064	5.8
82.04185	2.1
85.02902	4.6
85.06522	1.2
85.29353	1.1
86.09698	1.6
91.05476	9.5
93.03400	1.4
93.07045	2.8
93.41487	0.9
95.04971	3.9
95.08602	4.2
97.02885	1.7
97.06527	2.0
99.04456	1.1
101.02374	1.0
103.05477	7.0
105.03387	2.1
105.07031	4.1
106.04147	1.1
107.04951	11.7
107.08581	2.8
108.08076	1.0
109.02879	3.5
109.10165	9.3
110.03666	2.0
111.04414	1.5
115.05439	6.6
117.07016	9.2
119.04920	3.4
119.08575	2.5
120.05728	2.2
121.06506	2.8
121.10156	1.8
122.03655	1.8
123.04408	7.7
123.11734	1.7
124.05212	2.6
125.06009	3.0
127.03923	4.2
127.05452	1.2
129.06998	1.5
131.04924	5.3
131.08517	1.3
132.05789	1.2
133.02861	2.2
133.06519	2.7
133.10101	1.5
135.04454	3.0
137.05986	10.3
137.09619	9.8
138.03072	1.5
139.03917	1.4
139.11185	1.0
142.02592	1.7
143.04999	1.3
144.05688	1.6
145.06474	13.3
147.04433	3.7
147.08032	1.8
147.17308	1.1
148.05183	6.8
149.05966	1.8
151.03964	3.2
151.07541	11.7
153.05450	1.9
155.06021	4.0
155.10667	1.7
158.07187	1.2
158.41406	1.0
159.08037	2.4
159.11710	1.5
161.06000	4.5
163.07555	4.5
165.05470	11.2
165.09126	14.3
166.06296	2.6
167.07031	100.0
168.07370	1.2
171.06566	4.0
173.05991	14.7
175.07585	4.2
176.04695	1.7
177.05492	2.6
179.07072	1.4
181.04950	58.6
182.05180	0.9
186.06746	1.4
189.09137	1.5
191.07014	14.7
201.11125	1.5
203.07053	2.8
203.35298	1.1
205.05032	2.4
205.08629	6.3
209.08113	1.8
217.08594	1.2
220.07257	6.7
221.08022	2.1
231.06552	1.5
233.08017	6.1
235.09608	6.1
239.09134	9.1
241.21735	1.2
249.08989	1.4
253.07103	3.2
260.63107	1.1
277.08478	1.1
291.10074	1.4
297.11197	2.1
305.10248	1.4
311.12802	1.2
327.14755	1.3
355.11777	2.2
385.12817	6.6
386.13675	4.9
398.13474	2.4
415.13913	1.4
416.14682	16.1
459.16580	18.6
471.17670	1.8
489.17636	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	487.3417
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30065	7.6
51.09377	7.6
55.01868	14.7
55.05503	37.9
57.03418	10.9
61.02926	9.1
67.05505	79.0
69.07043	32.4
69.53384	31.1
69.53806	33.1
71.04996	11.8
74.87309	7.9
79.05492	77.3
81.03421	43.8
81.07058	100.0
83.04981	27.2
83.08607	23.8
85.02905	9.1
91.05476	86.6
93.07045	86.0
95.04961	35.2
95.08601	93.5
97.06538	16.2
105.07014	98.0
107.04955	34.7
107.08581	79.9
109.06515	15.5
109.10165	46.1
111.08111	10.8
117.07007	49.1
119.08580	95.4
121.06487	16.2
121.10155	63.6
121.10899	11.5
129.07030	16.3
130.07823	11.0
131.08588	78.2
133.10120	75.8
135.08066	16.0
135.11731	45.1
141.06973	11.2
143.08572	28.8
145.10121	97.4
147.08086	11.1
147.11685	35.4
148.71362	8.2
149.09636	10.7
149.13321	14.9
157.10110	29.2
159.11699	81.2
161.09625	29.6
161.13287	21.7
163.11211	30.7
163.14784	24.4
169.10104	18.3
171.11734	22.5
173.13266	45.7
175.14812	29.5
177.12788	12.9
177.16429	13.5
183.11685	10.8
185.13194	24.0
187.11111	14.1
187.14795	49.9
189.12657	12.5
189.16351	44.4
191.14311	25.2
199.14821	25.3
201.16364	38.4
203.14267	30.0
203.17932	19.2
205.12247	21.0
205.15874	18.8
209.15337	25.1
213.16260	10.5
217.15842	22.7
235.16986	21.2
247.17001	22.6
283.15359	16.0
285.10059	17.8
296.12766	9.3
309.22150	12.4
389.90378	8.2
405.31451	23.7
423.32657	19.9
441.33456	20.6
451.31995	22.4
454.94843	8.6
487.26932	16.5
487.34036	45.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3416
Annotation	beta-Kudinlactone
Peak:m/z	Relative Intensity
52.25724	2.6
53.03942	4.1
55.01867	6.3
55.05507	35.6
56.05148	2.4
56.96586	2.6
57.03423	4.9
57.07064	3.4
61.70979	2.2
64.83999	2.4
65.03942	5.2
67.05501	71.3
69.07059	30.9
71.04980	6.9
79.05482	44.8
81.03416	7.9
81.03903	2.4
81.07053	93.4
83.04967	8.2
83.08619	24.4
85.02901	3.6
85.06542	8.7
91.05471	63.1
93.07036	55.9
95.04940	12.2
95.08596	51.5
97.02869	2.8
97.06495	12.1
97.10171	9.1
99.08076	4.1
103.05459	4.5
105.07023	67.6
105.07700	4.4
107.04950	27.1
107.08569	33.7
109.02859	4.9
109.06559	6.6
109.10152	22.4
110.90108	2.8
111.08062	3.3
113.06010	2.6
115.05447	5.2
117.06997	27.9
119.08578	52.6
121.06490	6.7
121.10120	23.8
123.08059	6.3
123.11710	18.8
125.09661	5.6
128.06235	7.1
129.06985	25.5
131.05005	3.5
131.08556	43.1
133.06499	5.8
133.10123	32.6
135.08084	8.0
135.11691	11.3
137.09637	4.5
139.11189	2.6
141.06998	8.7
142.07800	5.9
143.08562	23.2
145.06465	6.2
145.10107	35.6
147.08064	7.1
147.11678	46.3
149.06017	5.4
149.09610	6.1
149.13263	4.5
151.11171	2.9
154.07724	3.6
155.08568	15.6
157.10109	26.9
159.08069	3.6
159.11685	28.1
161.09616	7.0
161.13261	3.4
161.46199	2.7
163.11206	8.7
165.12755	20.4
167.08607	3.4
168.09361	3.5
169.10133	18.0
171.11693	16.3
173.09615	5.7
173.13283	7.1
175.11229	5.3
181.10139	7.5
183.11768	11.8
185.13286	11.7
187.11246	7.1
193.10121	2.9
195.11671	7.7
197.13260	11.5
199.11214	3.7
199.14865	7.5
207.11771	3.5
209.11633	4.6
209.13324	6.3
215.58360	2.6
221.13281	4.4
259.20685	4.2
263.20190	3.0
267.09091	3.5
267.21014	3.6
273.18469	4.6
275.20065	22.8
277.21878	2.6
285.10056	3.9
285.18530	4.4
287.20386	3.7
291.19614	6.9
297.22372	2.7
299.19946	3.0
313.21692	6.3
315.23413	3.9
327.23254	5.5
395.29623	3.0
402.92551	2.9
407.29517	3.0
415.29608	5.5
419.28247	3.1
423.32693	5.3
433.31061	19.1
451.31982	28.8
452.32571	3.2
459.34915	4.2
469.33115	71.1
470.32849	3.4
487.34180	100.0
495.15781	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	487.3417
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
53.03949	9.5
55.01867	11.8
55.05511	45.9
57.03426	7.2
57.07076	3.8
60.88342	3.1
61.55059	2.9
67.05505	80.3
67.17640	3.2
69.03429	6.6
69.07069	38.4
69.21432	37.3
71.04974	8.7
79.05080	4.5
79.05500	58.4
81.03416	5.2
81.07055	99.2
83.04975	9.9
83.08621	24.1
85.06523	5.2
89.43845	3.5
91.05470	83.5
93.07042	60.0
95.04952	19.8
95.08607	57.5
97.06539	12.8
97.10178	10.1
103.05457	7.2
105.07032	89.4
105.07707	7.0
105.81482	3.8
107.04955	97.3
107.05644	6.9
107.08580	41.8
108.43832	3.1
109.02882	37.7
109.06503	14.3
109.10152	22.4
111.08059	6.4
115.05490	3.7
117.07011	30.0
119.08571	68.2
121.06494	20.7
121.10133	32.7
123.04514	4.0
123.08075	6.9
123.11713	12.5
125.09664	8.2
125.63708	3.3
129.07019	26.7
131.08565	40.3
132.86018	3.3
133.06517	7.5
133.10124	49.2
134.52765	3.1
135.08069	6.5
135.11681	10.4
137.09677	6.4
141.06979	10.2
141.09088	6.1
142.07799	5.9
143.08542	26.2
145.06493	6.0
145.10124	31.6
147.08060	7.0
147.11685	51.8
149.05933	15.9
149.09630	10.2
149.13245	8.1
151.11150	4.5
155.08531	11.0
157.10109	20.6
159.11673	20.7
161.09596	5.4
161.13190	4.4
163.11182	5.3
165.09105	8.0
165.12753	14.2
167.08572	5.7
169.10147	15.6
171.11687	19.2
173.13313	7.9
177.05434	22.4
181.10173	4.9
183.11690	15.3
185.13235	12.7
187.11179	6.3
187.14819	3.7
195.11662	8.5
197.13281	9.0
199.14886	8.1
207.11852	4.7
209.13268	5.3
211.14883	4.9
239.17888	6.6
259.20248	3.9
263.19766	4.3
266.45923	3.3
273.18268	4.0
275.20071	59.9
283.90784	3.6
291.19589	4.5
301.21649	6.8
313.21765	4.4
402.22443	3.8
423.32715	6.4
433.31107	18.9
451.32083	28.6
469.33023	63.5
487.34280	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70107	2.2
52.87988	2.4
53.03939	5.8
53.53716	2.4
55.01867	5.7
55.05508	21.1
57.03427	7.0
57.07063	9.5
61.02918	4.1
65.03925	4.6
67.05507	13.5
69.03426	35.9
69.07067	57.7
70.85287	6.6
71.04986	15.0
73.02901	7.7
79.05479	10.6
81.03413	28.3
81.07048	35.7
83.04997	2.9
83.08604	23.9
85.02898	43.8
85.06544	3.3
87.00819	26.3
91.05451	5.6
93.07043	29.8
95.04931	6.1
95.08604	31.0
97.02901	19.0
97.06528	19.0
97.10147	7.6
99.04470	14.3
99.08179	3.2
105.01855	14.1
105.07029	17.9
107.08578	40.7
109.02887	21.6
109.06503	7.4
109.10160	25.7
111.08127	6.4
111.11733	4.2
115.03947	6.4
117.01836	4.6
119.08615	17.2
121.06508	9.3
121.10143	18.8
123.08054	16.1
123.11699	19.6
125.09674	4.1
125.13273	26.7
127.03906	38.7
131.08546	2.9
131.69724	2.6
133.10089	15.7
135.11685	49.3
137.05965	8.5
137.09547	5.7
137.13263	7.8
145.04956	10.0
147.11703	12.3
149.13242	18.8
151.11125	4.0
153.12749	28.8
159.02876	13.6
159.11702	3.4
161.13210	5.1
163.14763	3.2
164.07048	6.3
165.09106	4.4
165.12717	4.4
167.07121	3.1
191.14346	3.8
203.17918	19.7
205.19525	9.2
221.18997	100.0
225.12781	2.7
231.05028	8.1
233.15471	3.4
233.18968	3.5
239.20091	6.5
275.28110	2.7
295.06000	3.2
295.09869	2.9
315.29388	3.0
415.20944	3.1
427.18640	9.5
443.98776	3.3
455.14883	3.9
467.45599	3.2
467.51974	3.8
487.17578	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	487.3048
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	1.5
53.03941	10.0
55.01870	3.5
55.05512	22.3
57.03426	3.4
65.03928	4.6
67.05502	75.3
69.07068	13.3
71.04990	5.1
71.50756	2.3
73.06539	3.5
79.05489	100.0
80.97090	1.7
81.03419	12.5
81.07053	59.8
81.07538	3.1
83.04974	15.9
83.08627	9.4
85.02895	2.2
85.06535	3.3
91.04908	3.7
91.05476	72.9
93.07039	72.6
93.07641	2.8
95.04958	33.6
95.08604	35.3
97.06525	8.8
97.10149	2.2
97.66476	1.7
98.98452	6.5
105.04512	2.4
105.07027	58.9
107.04958	10.4
107.08584	25.4
109.06501	9.3
109.10163	7.8
111.08059	2.6
117.06999	15.2
119.08584	35.3
121.06498	2.6
121.10124	8.9
123.08051	9.9
123.11699	1.7
128.06203	3.2
129.07007	21.3
130.07730	1.5
131.08553	6.9
133.10135	16.8
135.08041	2.2
135.11681	6.7
137.09592	2.0
143.08553	9.7
145.10118	14.8
147.08064	3.1
147.11688	42.0
151.11148	1.9
155.01051	5.5
156.09377	2.5
159.11690	3.9
161.09639	7.3
161.13261	21.1
161.18315	1.7
169.10144	1.7
171.11674	40.1
179.14348	5.1
189.12746	18.4
207.13786	41.4
207.95619	1.7
225.14774	8.2
227.14301	1.7
232.45589	1.5
241.19524	2.8
259.20428	2.9
268.26691	2.0
281.17471	4.5
333.24118	4.8
487.30432	50.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.1
55.01871	4.5
55.05494	11.1
56.00782	3.4
57.03418	5.7
59.04988	9.6
61.15548	3.4
65.03950	3.4
67.05485	13.9
67.10807	3.3
69.03419	10.8
69.07049	13.6
70.54659	3.7
71.01347	4.4
71.04986	3.7
71.51981	6.3
77.65811	4.3
79.05492	28.6
81.03406	14.0
81.07053	52.0
83.04951	5.1
85.02881	15.6
91.05493	21.6
93.07016	16.9
95.04970	34.8
95.08614	12.4
97.02860	7.9
97.06526	28.8
99.08083	14.1
103.05455	14.4
105.07014	17.6
107.04951	100.0
107.08573	5.5
109.02872	95.9
109.06491	9.8
109.10122	9.1
111.04408	6.1
117.07024	8.9
119.08565	7.2
121.06497	25.4
121.10143	5.6
122.03665	6.2
123.04419	8.7
125.02335	15.3
125.05992	4.4
127.03887	5.4
129.06975	5.7
131.04912	14.9
131.08543	4.2
133.06467	4.8
133.10121	8.7
135.08040	4.2
137.05969	40.5
139.03902	61.0
141.05434	5.2
147.04376	4.7
149.05959	34.6
151.03911	28.2
159.04411	8.3
161.06024	8.0
163.04028	5.1
163.07509	8.9
165.05472	66.5
165.09120	8.3
167.07019	15.7
167.08453	4.7
175.07541	5.4
175.11122	3.6
177.05466	82.3
181.08592	4.5
187.07504	4.8
191.07002	6.5
195.06551	21.1
209.08083	63.7
219.08179	5.2
221.11517	4.5
235.07582	4.6
235.13193	8.0
247.13173	7.7
257.11801	5.0
275.12891	8.2
283.37616	4.2
333.11365	5.6
334.08920	4.8
357.82611	4.4
469.16599	8.9
487.17474	50.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.8
55.01866	6.0
55.05508	14.2
57.03436	17.7
57.07061	2.8
58.38549	1.7
65.03949	2.3
67.05502	51.9
67.41496	1.6
69.03427	2.5
69.07069	11.5
71.51803	3.5
79.05492	41.3
81.03403	4.2
81.07056	68.2
83.04959	3.3
83.08611	6.0
88.28687	1.6
91.05480	40.1
93.07040	53.3
95.04965	6.1
95.08603	39.6
97.06512	3.6
97.10143	3.5
98.98467	100.0
103.05475	2.4
105.07027	34.2
107.04958	7.8
107.08582	29.1
109.02860	3.8
109.06516	3.6
109.10159	24.9
110.03683	2.0
111.04391	1.7
116.99511	3.4
117.07007	12.8
119.08578	32.1
121.06531	3.9
121.10139	27.9
121.28160	1.8
121.46297	1.7
123.08070	2.4
123.11720	11.2
129.05486	10.8
129.07014	8.0
131.08566	19.3
133.10123	26.8
135.08028	2.3
135.11700	20.4
136.99979	5.5
137.09619	2.9
137.13257	3.9
143.08566	7.3
145.10138	16.8
147.08017	4.8
147.11678	21.8
149.09650	5.6
149.13216	10.5
151.11197	2.3
155.01038	91.6
155.08479	2.0
157.10089	8.1
159.11696	16.8
161.09586	3.2
161.13261	18.8
163.11128	4.5
163.14758	2.6
171.11633	13.5
173.13252	9.3
175.11160	2.5
175.14816	10.8
177.12653	2.6
185.13242	9.8
187.14864	4.4
189.12759	5.2
199.11150	2.1
199.14841	4.7
203.14333	2.0
211.03621	15.0
213.16434	3.1
215.17978	2.9
217.19492	16.7
227.14323	2.7
229.04720	10.1
231.21123	13.3
241.15837	2.2
241.19514	38.5
259.20560	61.5
260.21021	2.1
261.22098	5.4
273.40567	2.0
289.21552	4.0
315.23187	6.5
333.24243	64.1
351.23618	2.3
413.20782	3.7
451.21277	4.5
461.85336	1.8
469.23212	11.5
487.23853	7.7
487.34195	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	487.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	10.1
55.01849	10.1
55.05509	7.5
57.03412	8.8
58.84802	6.8
67.05500	14.4
69.03413	14.6
69.07049	17.0
70.06583	7.2
70.96362	12.3
71.01363	6.6
71.04978	8.1
79.05492	26.5
79.63961	7.2
81.03396	23.0
81.07044	19.9
85.02893	23.6
87.04459	10.7
91.05464	36.4
93.07047	16.9
95.04955	30.2
97.02885	16.1
97.06528	45.4
103.05471	12.4
105.07013	30.1
107.04958	73.5
107.08581	14.0
109.02881	21.5
109.06508	17.9
117.07007	8.9
119.04972	10.3
119.08578	16.0
121.02856	17.5
121.06498	15.9
123.04394	16.6
127.03870	8.6
131.04906	9.7
131.08548	16.2
133.02875	7.7
133.06514	12.3
135.04485	10.4
137.05943	47.0
137.09579	11.6
139.03894	46.0
141.06985	16.4
143.08510	14.1
145.06403	8.3
149.02357	17.4
149.05978	17.2
151.03882	21.4
151.07498	7.3
159.08037	15.4
161.06027	14.3
163.07593	10.9
165.05475	100.0
165.09128	11.0
167.07022	26.7
175.07430	10.7
177.05391	12.8
177.76430	7.9
179.07001	13.3
183.07950	8.3
183.11754	13.5
187.07607	12.1
193.08635	9.1
201.12801	15.9
209.08073	29.3
211.11183	9.1
227.09225	7.1
229.12175	20.8
235.07431	7.3
283.09579	10.6
335.76785	8.5
351.09641	8.8
402.19299	10.3
455.14716	9.5
469.16147	11.5
487.17422	60.8
488.17834	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	487.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	13.7
67.05499	19.7
69.07070	15.1
70.76915	26.8
76.58719	7.9
79.05484	33.5
81.03419	11.0
81.07048	30.0
85.02896	26.5
91.05476	30.9
93.07044	28.6
95.04965	30.9
95.08591	23.2
97.06528	32.3
103.05480	8.1
105.07018	14.4
107.04957	81.6
107.08576	24.0
109.02883	21.4
109.10135	10.7
117.07040	26.4
121.06522	18.6
129.07018	10.0
131.08560	12.1
133.06511	12.7
137.06013	64.6
149.05991	19.5
151.03926	21.1
154.62515	9.3
155.08514	9.0
161.05994	19.7
165.05473	100.0
167.07034	19.9
170.72523	9.2
173.05983	11.2
175.07596	14.3
177.05469	25.4
181.04930	9.6
187.07533	14.3
191.06905	11.3
195.06461	16.4
201.12698	12.9
207.29950	9.4
209.08058	29.3
229.12248	12.7
235.50046	10.0
251.99699	8.8
256.16537	10.3
337.10629	13.3
422.11121	9.5
455.14789	11.5
469.16074	13.5
487.17398	98.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66127	0.4
57.03419	1.4
65.03947	0.5
66.19080	0.4
66.56912	0.4
69.03404	0.4
69.62591	2.9
71.04987	6.3
79.05488	1.7
81.07057	1.1
85.02899	5.8
86.09715	0.6
88.76464	0.4
91.05484	3.5
94.04172	2.5
95.04923	0.7
96.06750	0.4
98.20853	0.9
103.05456	2.1
105.07028	6.5
107.04971	0.9
109.06516	1.8
112.92953	0.5
115.05436	3.0
116.06258	0.6
117.07000	0.8
119.04912	0.8
119.08564	2.1
121.06485	0.9
122.03641	6.4
128.06232	1.8
129.05463	1.2
129.06982	2.0
131.04900	1.3
132.05688	1.6
133.06479	5.1
137.05974	100.0
138.06320	1.0
143.04935	1.0
144.05710	1.0
145.06474	1.5
147.04362	1.0
147.08037	3.3
149.05984	1.9
151.07567	0.9
155.04901	1.0
156.05745	0.8
159.08089	3.0
160.05196	1.8
161.04643	0.8
161.05981	15.6
163.07584	0.7
165.06978	0.6
167.06976	0.7
169.06505	0.7
171.08063	1.2
172.05217	1.6
175.07539	25.8
176.07841	0.6
179.07016	1.0
184.05263	1.1
187.07538	10.3
189.09125	0.8
190.07813	1.7
191.08525	6.0
199.07535	10.1
202.07825	3.2
203.08559	5.8
205.06538	0.9
205.08511	0.6
207.08058	0.6
218.07288	2.0
219.08044	8.5
220.08698	2.7
227.41040	0.5
230.85892	0.7
231.08032	6.9
232.08807	2.0
233.09698	1.0
235.07523	0.7
236.08414	1.7
237.09067	0.5
246.06798	0.7
247.07556	4.1
248.08319	3.5
249.08960	1.0
251.10684	10.6
259.07556	4.3
260.08344	1.9
261.09106	1.0
263.10678	4.5
264.07825	0.8
265.08655	0.8
275.06985	0.7
276.07800	1.9
277.08615	2.9
279.10165	8.4
280.10883	1.4
291.10156	9.5
292.10907	4.0
293.08069	1.0
295.10007	0.8
295.13361	1.6
296.10287	0.8
308.10471	1.2
311.12762	24.9
312.13354	0.6
323.12772	22.6
324.13101	0.5
337.10916	0.5
341.13812	1.9
487.21686	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11555	1.0
55.01872	2.3
57.03429	1.3
65.03943	1.2
67.05476	1.4
69.03432	6.3
69.40022	8.5
73.02901	1.2
79.05490	3.2
81.03414	4.9
85.02907	2.7
91.05479	13.2
94.04149	2.2
95.04955	4.5
97.02882	2.7
99.04415	1.2
101.36373	0.9
101.52287	1.0
103.05460	7.8
105.07034	4.5
107.04967	1.7
111.04449	3.2
115.05455	3.4
117.07047	5.2
119.04945	19.0
119.08571	1.1
121.06501	2.1
122.03667	7.8
123.04494	1.3
128.06224	2.3
129.06999	4.7
131.04942	14.1
131.08551	3.1
133.06464	5.1
135.04361	1.2
137.05978	100.0
141.06967	4.6
143.04939	2.5
143.08551	2.2
144.05728	1.5
145.06467	9.8
147.04414	46.0
147.08075	1.4
148.04987	0.9
149.05998	6.4
151.03891	5.1
151.06311	1.8
151.07535	34.0
153.05417	1.5
153.07028	1.9
155.08479	1.7
157.06468	4.3
158.07216	1.7
159.08058	5.3
160.05197	3.4
161.06004	6.6
162.06728	1.8
163.07547	19.0
164.08391	1.4
165.05499	5.7
165.06885	1.6
165.09094	3.4
167.07019	1.6
167.08540	1.3
169.06482	3.4
171.08008	3.4
172.05246	1.8
173.05969	1.6
174.06747	3.0
175.07549	18.8
176.04637	1.2
177.05472	6.2
177.09111	11.3
179.07042	32.7
179.08594	2.4
181.04955	1.5
181.06438	1.9
183.08110	2.2
185.05927	2.4
185.09581	1.6
187.07515	7.6
189.05487	2.2
189.09068	6.4
190.06232	1.3
191.07059	7.0
191.10692	3.2
193.04984	1.1
193.08611	4.8
195.08049	3.2
195.10065	1.3
197.06059	2.5
199.07565	4.7
201.05510	1.9
201.09143	9.8
203.07057	2.9
203.10721	3.9
204.44916	1.2
205.08583	4.0
207.10205	2.0
209.07922	1.4
211.07503	2.1
213.09087	4.1
217.08525	5.2
219.08160	2.2
219.10161	4.2
221.06007	1.3
221.07982	2.0
223.07608	1.6
227.10620	3.6
229.08531	6.9
231.10133	3.5
241.08481	1.5
243.10217	1.4
245.08171	3.5
245.11722	5.1
247.07430	1.4
247.09706	4.0
249.11137	1.3
251.10611	1.5
255.10190	2.8
261.11243	2.4
265.08551	1.4
273.11230	9.7
275.12750	1.9
279.10107	2.1
289.10757	1.1
291.12421	13.3
311.12750	5.4
323.12735	2.7
333.13275	1.5
335.12628	1.2
341.13739	2.6
409.16629	1.5
415.68359	1.3
451.17691	1.6
469.18475	4.2
487.19147	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	487.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12932	1.3
55.01868	2.1
65.03933	1.8
67.60670	1.5
69.03425	5.6
69.40997	3.6
69.41416	10.3
71.04986	1.9
79.05493	3.3
81.03407	4.2
83.06084	3.6
85.02872	3.6
86.09740	1.5
88.83584	1.5
91.05481	11.9
92.85786	1.6
94.04179	1.9
95.04964	5.5
97.02915	1.4
103.05458	7.5
103.75594	1.5
105.07024	5.9
107.04980	2.8
109.06550	2.2
110.33054	1.4
111.04432	3.4
115.05473	5.2
117.07030	6.3
119.04956	14.9
121.06493	2.3
122.03667	7.1
123.04398	3.2
128.06245	3.1
129.07021	3.5
131.04932	13.4
131.08588	3.0
132.05675	2.0
133.06483	5.6
135.04410	1.7
137.05978	100.0
141.07028	2.6
143.04875	3.0
145.06425	9.3
147.04399	38.7
149.05988	4.8
151.03929	8.1
151.07538	34.2
157.06543	3.4
159.08090	6.4
160.05220	1.7
161.05981	5.5
163.07556	16.7
165.05490	10.7
165.06842	2.5
165.09169	2.6
167.07098	2.1
167.08495	2.4
169.06549	2.3
170.82887	1.4
171.08051	3.3
174.06697	2.9
175.07547	18.1
177.05505	5.1
177.09064	8.2
179.07037	29.9
181.04994	2.2
183.08064	2.1
186.06854	2.5
187.07523	7.3
189.05481	3.4
189.09132	5.9
191.06967	7.5
193.08667	4.0
195.08122	2.2
197.09692	1.8
198.06828	1.5
199.07552	3.7
201.05426	2.4
201.09142	8.0
203.07025	2.1
203.08878	1.8
203.10677	4.9
205.08617	2.7
209.08060	2.1
213.09082	3.7
215.07086	2.7
217.04984	1.7
217.08615	4.9
219.10139	3.3
220.09010	1.8
227.10712	3.2
229.08553	5.3
231.10205	3.5
241.08525	2.2
243.10118	2.6
245.08075	2.1
245.11673	4.1
247.09689	5.2
249.11366	2.1
251.10754	3.1
255.10208	3.2
261.11490	2.0
273.11240	9.5
275.12949	2.8
279.10202	3.3
291.12448	13.4
307.12762	2.2
311.12820	5.9
323.12680	6.8
333.13306	1.8
341.13855	3.3
384.48392	1.6
409.16794	2.1
451.17661	2.1
466.87354	1.7
469.18613	6.4
487.19284	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	485.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	2.8
57.03435	5.7
57.07075	22.9
60.85543	2.2
61.26764	2.1
67.05489	5.2
67.65021	2.4
69.07058	5.2
69.34718	21.6
70.46484	2.5
71.08643	16.3
81.07070	3.8
83.08614	2.9
85.10165	6.3
90.65633	2.2
93.07002	2.9
95.08602	7.6
97.10146	3.8
98.98444	7.7
109.10155	4.9
155.00987	3.6
234.78120	2.2
242.81851	2.3
313.27365	100.0
403.80020	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	487.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	0.8
56.05022	3.1
61.02883	0.8
67.05489	1.7
69.03416	3.1
70.02937	1.1
70.06599	2.0
71.04980	1.5
71.19699	1.7
71.20039	1.1
74.06084	19.2
79.05473	1.7
80.05015	2.5
81.03393	0.8
81.07052	1.6
83.04929	0.8
84.08134	0.9
85.02900	4.3
86.06063	1.6
86.09708	0.9
95.04972	3.7
95.08600	0.8
96.04487	1.2
97.02905	2.9
106.06577	1.6
107.04955	1.9
108.04501	1.0
109.02878	1.9
109.06521	1.2
111.05582	1.0
118.81031	0.8
121.06557	0.8
122.06031	5.1
123.04417	1.4
124.03938	2.4
124.07592	1.4
125.02415	0.7
127.03893	1.1
129.06563	5.1
131.04951	1.3
134.92424	0.7
135.04414	0.9
136.03964	1.9
137.05994	1.1
138.05504	1.5
139.03931	0.9
148.03958	2.2
148.07594	0.9
150.05502	9.8
150.09105	1.1
151.03877	2.4
152.07065	1.4
153.05490	0.9
159.07690	5.0
163.03883	3.2
163.07457	0.7
164.03424	23.4
166.05005	6.3
168.06601	2.3
171.40234	0.7
174.09070	1.0
176.03435	9.6
178.04898	0.9
179.07034	1.7
191.08118	1.4
194.04494	16.8
206.08124	3.2
209.09181	12.3
211.10793	3.3
216.06598	1.7
219.07646	1.9
219.11285	1.2
234.07616	2.7
236.09148	1.7
237.08699	82.0
238.09146	2.1
239.10284	5.4
246.07687	1.1
255.09705	5.6
264.08624	2.0
269.59381	0.8
279.13403	7.0
289.11728	2.5
307.12888	100.0
308.13272	3.4
325.13956	47.5
326.14328	1.0
441.73416	0.8
469.18118	2.5
487.18738	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	485.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.6
55.01868	3.4
55.05499	4.5
56.05033	3.9
57.03413	6.0
57.07081	3.9
61.02914	3.7
67.05505	16.0
69.03421	10.6
69.07066	23.6
70.06573	5.8
71.01357	2.9
71.04987	12.9
71.49592	2.8
71.49961	2.6
73.02914	10.9
77.61096	2.1
79.05479	8.0
81.03410	8.1
81.07050	84.4
81.07530	4.1
83.04951	2.9
83.06058	3.1
83.08605	4.9
84.08121	3.7
84.84834	2.5
85.02904	23.7
85.06535	31.9
86.09709	18.9
86.68287	2.4
87.04478	4.5
91.05479	5.2
93.07011	4.4
95.04949	6.0
95.07997	2.9
95.08601	55.9
97.02896	13.3
97.06518	2.6
99.08076	17.8
103.84386	2.4
104.10744	3.4
105.07035	3.4
106.06517	3.8
107.04947	4.6
107.08626	3.3
109.02864	5.5
109.06556	2.7
109.10100	5.9
111.11723	5.3
112.84382	2.7
115.03922	6.6
120.08151	2.7
121.06547	2.8
122.39794	2.6
123.04513	2.7
124.03976	3.2
125.00032	16.7
126.05509	2.5
126.90610	2.3
127.03948	7.0
131.87065	2.5
133.04958	3.7
133.06529	2.8
133.68854	2.4
137.05963	6.7
137.13249	30.5
143.14282	2.6
145.04953	3.7
151.03920	5.4
155.14294	100.0
156.14677	4.1
161.30431	2.7
167.06987	3.9
173.15355	88.3
184.07327	79.9
185.07707	6.8
191.14503	5.3
191.16380	44.3
198.05917	2.7
211.07863	2.9
218.07576	2.2
218.30788	3.0
219.08176	2.7
221.05920	3.2
232.61096	2.7
311.05746	4.8
450.22412	3.8
485.17249	4.7
485.24039	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	484.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01626	0.1
52.29622	0.1
55.05507	0.2
56.05028	0.4
57.03439	0.3
58.06586	1.7
58.06842	0.2
59.07383	1.5
60.08161	5.2
63.20564	0.1
69.03420	0.1
70.06596	0.2
71.06535	0.4
71.07372	2.2
79.05502	0.3
81.07047	0.3
86.09704	26.1
91.05489	0.3
93.07034	0.2
98.98464	1.9
104.10748	2.9
105.07037	0.2
107.08592	0.6
116.04704	0.3
124.99999	17.7
125.37836	0.1
129.05457	0.5
131.08531	0.2
132.98170	0.2
133.10110	1.8
136.27133	0.1
137.09637	0.7
143.01018	0.2
168.04250	0.2
184.07335	100.0
185.07721	0.5
191.14279	1.0
210.08887	0.7
222.08897	0.2
239.09164	0.8
258.11099	0.3
299.11139	0.3
312.12015	0.4
390.80881	0.2
457.03229	0.2
466.21844	0.7
484.23053	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2591
Annotation	25-Hydroxyhalisulfate 9
Peak:m/z	Relative Intensity
50.89183	2.5
50.93346	2.8
53.03965	3.3
55.05513	5.1
57.03427	4.5
57.07074	5.7
67.05508	15.5
69.03435	16.5
69.07061	12.4
69.23679	6.8
69.24085	21.0
70.06609	3.3
71.04984	11.9
73.02908	7.3
73.06566	2.6
79.05489	5.4
81.03421	4.7
81.07053	86.8
83.04988	2.5
83.06115	4.4
83.08619	6.1
84.08146	3.3
85.02930	15.9
85.06535	25.7
86.09728	8.5
87.04480	4.6
89.07740	3.0
91.05492	3.6
95.08604	50.3
97.02904	12.6
98.21558	5.8
99.08096	14.2
104.10764	3.7
106.84118	3.2
107.04945	4.1
109.02834	5.4
109.10163	5.3
111.11690	5.5
115.03924	5.8
123.04416	3.4
125.00025	8.5
127.03905	3.9
131.04906	3.2
137.05963	4.0
137.13229	29.7
138.13405	2.9
143.14319	3.8
155.14294	100.0
173.15366	85.4
179.07060	3.3
184.07336	35.7
191.14331	8.3
191.16400	58.5
237.09178	3.0
273.03378	2.5
311.05417	3.0
322.19098	2.6
323.12799	4.1
485.13983	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	483.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.0
55.01850	6.2
55.05508	17.8
57.03439	9.4
57.07067	4.8
61.02914	4.1
67.05517	56.0
69.03429	20.0
69.07071	17.7
69.23578	9.7
69.23981	36.3
70.06588	5.1
71.04993	30.9
72.08158	3.9
73.02887	5.1
79.05498	55.4
81.03415	19.1
81.07063	59.1
83.04965	10.1
83.08611	11.2
84.04509	6.1
85.02907	35.2
85.06544	19.4
86.09711	14.5
87.04470	6.5
87.86819	3.9
91.05474	33.4
93.07047	58.7
95.04963	16.7
95.08611	77.8
97.02911	22.2
97.06528	20.3
98.97598	5.0
101.79099	4.6
103.05479	13.8
105.07043	23.1
107.04961	11.5
107.08595	49.9
109.02902	10.5
109.06529	6.0
109.10162	38.2
111.04439	11.4
111.08057	7.1
115.03902	5.0
116.98639	4.6
117.06975	6.4
119.08604	23.0
121.10159	62.5
123.08063	6.8
123.11729	11.2
125.00008	8.6
125.05988	28.6
127.03927	13.6
129.05472	7.1
131.04927	29.4
131.08609	11.6
133.06476	8.3
133.10143	18.4
135.04408	7.7
135.07983	7.5
135.11697	37.8
137.05997	17.9
137.09596	9.2
143.07066	19.5
145.10149	8.1
147.08102	7.8
147.11685	15.7
149.13283	10.3
153.12762	25.9
157.10133	7.9
161.09666	5.4
161.13220	7.2
163.07478	10.2
163.14917	5.7
165.05511	7.7
165.09113	5.1
167.07103	5.9
171.11754	5.0
171.13707	6.5
176.03487	6.0
184.07370	20.2
185.13341	5.9
189.16379	54.7
207.17474	19.2
213.16376	16.1
221.19037	6.8
225.18518	12.8
231.17451	14.9
237.02675	6.2
249.18484	37.7
259.07941	5.1
267.11307	4.7
267.19571	100.0
267.56308	5.1
285.20593	68.8
303.21774	36.4
317.32358	4.8
321.10815	15.0
321.22937	10.6
427.09198	6.1
483.19452	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	483.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	2.6
55.05499	4.9
57.03432	3.7
67.05492	4.7
69.07070	15.0
70.80651	7.4
75.41355	2.5
79.05493	16.3
79.13647	2.9
80.94486	2.4
81.07056	4.6
85.02905	2.9
91.05478	6.1
95.04958	3.4
97.06529	45.4
107.08618	2.4
111.08044	5.5
117.03358	3.2
117.37482	2.2
119.04919	4.8
129.09113	3.4
130.31209	2.5
133.02811	4.1
135.04419	10.2
137.05994	3.5
145.02885	4.6
147.04375	2.7
153.01808	3.3
159.04411	3.7
161.02351	10.6
163.03902	34.2
167.07013	2.5
173.02350	75.0
174.18518	2.5
175.07333	2.4
177.05487	7.4
187.03838	3.0
191.03365	9.7
195.07980	3.7
212.73946	2.5
213.09058	3.1
215.07008	72.9
233.08060	5.6
241.08601	44.6
259.09650	64.2
259.12357	4.0
260.10126	2.7
269.65576	2.5
273.08215	5.0
273.11206	100.0
274.11304	3.8
287.02258	3.5
287.05490	63.1
291.12180	4.8
410.01263	2.9
483.12613	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	483.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.5
55.01869	2.8
55.05500	2.4
57.03423	3.0
59.04976	1.1
61.02913	1.6
67.05489	3.1
67.19525	0.8
69.03421	2.2
69.07066	24.9
70.38960	1.9
70.39349	1.9
71.04970	0.9
78.67920	0.8
79.05489	10.8
81.07048	2.7
83.04982	1.5
85.02872	0.8
85.06533	1.5
86.09700	1.3
87.08092	1.7
87.66789	0.7
89.03889	3.7
95.04971	2.2
97.06526	95.1
98.06848	1.3
105.03382	1.2
107.04916	2.0
107.42282	0.8
111.04418	1.3
111.08066	2.8
112.08871	1.0
117.03389	4.1
124.99991	1.3
129.09117	3.2
131.04868	1.4
131.08525	0.9
133.02818	4.2
134.03690	0.8
135.04433	7.7
141.07013	0.9
145.02855	7.5
147.04407	2.2
157.06480	1.5
159.04430	10.4
159.07976	0.8
161.02339	28.3
163.03893	65.5
164.04306	0.9
173.02339	68.2
174.02663	1.3
177.05489	1.0
184.07407	4.9
185.05977	5.0
187.07518	1.6
191.03386	10.6
197.05991	1.8
199.03905	0.9
200.04720	1.0
213.09039	0.9
215.07021	98.9
216.07368	2.7
231.47638	0.7
233.08060	5.2
241.08586	18.4
259.09650	28.7
273.11234	15.1
282.99539	0.8
291.12253	100.0
292.12631	2.4
299.12607	0.9
465.17169	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14763	0.9
53.03947	1.1
55.01864	2.4
55.05509	2.0
57.03434	3.5
67.05495	3.3
69.03423	1.0
69.07062	15.2
71.05006	1.7
71.50072	1.4
72.29951	0.9
75.56961	1.0
79.05493	11.7
81.03407	1.3
81.07053	2.9
83.04947	2.0
85.02908	1.4
85.91382	0.9
89.03898	1.5
91.05460	1.9
93.07034	1.5
95.04985	2.0
97.06529	32.1
97.07159	1.8
103.05515	1.0
103.08195	1.1
107.04957	1.9
109.10239	1.2
111.08067	6.3
112.08876	2.9
113.47266	1.0
117.03383	1.1
119.08603	5.1
129.09128	1.1
131.04916	1.1
131.08595	1.1
133.02864	6.9
135.04405	3.5
137.06010	2.0
139.03886	1.3
145.02867	4.3
147.04405	2.2
151.03920	1.3
159.04420	3.0
161.02350	9.3
162.03096	1.2
163.03900	28.4
169.06540	1.2
173.02344	87.7
173.13194	1.2
174.02713	1.2
177.05489	8.3
185.05893	5.3
187.03902	3.2
187.07584	1.2
191.03384	10.9
195.08052	3.5
199.03857	1.5
206.08147	1.1
213.09103	4.4
215.07028	82.4
216.07388	2.3
223.07509	2.0
233.08040	4.8
241.08601	25.5
259.09656	52.8
260.10089	1.1
273.11206	100.0
274.11642	2.3
291.12213	4.3
483.21954	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.6
55.05480	3.3
57.03423	8.6
67.05493	11.6
67.38627	2.3
69.03422	8.5
70.06580	7.3
71.04977	6.0
73.02879	2.9
79.05493	8.2
80.03329	2.8
81.03429	26.8
81.07069	12.4
83.04975	7.4
83.08611	8.2
84.08111	3.2
85.02910	15.9
85.06538	3.2
86.09692	7.2
87.84781	2.6
91.03960	2.9
91.05464	8.5
93.07035	13.0
95.04967	11.9
95.08613	4.4
97.02906	2.3
105.07025	5.9
105.88486	2.7
107.04985	3.1
107.08595	9.8
109.10139	3.4
115.03946	5.1
119.08574	6.7
120.08096	2.8
121.04500	2.5
121.10174	4.4
124.03880	3.3
129.07016	3.9
131.08542	5.6
133.04968	3.1
133.06496	4.3
133.10149	4.6
135.11693	11.3
137.05981	5.8
137.09557	2.9
147.11682	6.2
149.09618	2.8
153.12755	23.6
157.10176	2.9
158.14809	3.0
171.13837	2.9
175.11157	7.7
184.07411	3.1
193.12277	23.1
204.06668	2.6
211.13330	29.8
267.15887	6.2
285.16971	100.0
302.13879	6.4
311.05588	18.7
358.66055	2.4
371.57297	2.7
380.86490	2.7
410.26059	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	482.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34346	0.6
50.87489	0.5
55.01866	1.3
55.05505	2.0
57.03439	3.5
59.04990	1.8
61.02911	2.4
67.05502	1.2
69.03429	8.3
69.07051	1.7
69.63181	3.9
71.01348	0.7
71.04992	12.5
72.05251	0.6
73.02917	8.0
73.06554	2.3
79.05491	3.6
81.03423	1.9
81.07053	14.0
85.02902	15.0
87.04474	1.3
91.05473	1.7
93.07048	10.9
95.08608	2.3
96.86455	0.6
97.02895	10.4
97.06544	1.2
99.04446	1.0
103.03937	0.7
105.07031	0.6
107.08597	8.8
109.02852	1.6
109.10162	1.9
115.03965	4.6
127.03921	4.7
133.04964	4.9
135.11685	19.0
136.12016	0.8
137.05960	1.2
145.04961	5.5
153.12744	100.0
154.13110	2.4
157.59442	0.6
163.06033	2.4
171.13750	1.5
187.07590	1.0
198.20589	0.6
215.07050	2.5
222.45329	0.6
223.06041	1.8
241.07042	1.0
259.08115	2.2
285.16873	1.8
322.11221	0.7
322.30634	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.119
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.0
69.03413	3.4
71.51090	1.2
81.03401	1.4
81.85018	0.8
82.99894	3.0
85.02904	6.9
97.02878	4.2
98.97580	1.2
101.00872	10.5
109.02907	1.8
113.00867	3.3
115.02436	0.9
116.98618	1.8
119.01914	25.2
119.02731	1.7
127.02447	1.2
127.03912	2.2
128.98616	1.0
131.01901	14.5
133.03438	3.4
137.02950	2.7
139.02419	1.0
140.88039	0.7
143.00203	1.2
143.01884	19.5
145.02420	1.4
145.03452	12.6
145.04924	2.2
146.03560	1.1
147.01302	1.6
147.05063	1.3
149.02965	2.8
155.01869	20.9
157.03453	9.0
158.99617	1.1
159.01294	0.8
161.01524	1.3
161.02963	26.8
162.02974	0.9
167.01886	7.4
169.03450	4.1
171.05064	2.8
173.02959	48.4
174.03108	1.7
175.04515	3.1
177.01016	1.1
177.02420	5.8
179.01932	3.0
183.01476	2.1
183.05037	2.1
184.04636	1.9
185.02950	44.1
186.03085	2.2
187.04478	6.5
189.06136	2.0
191.03983	2.2
195.03516	1.9
197.02950	16.3
199.04504	1.1
201.00793	2.5
201.02438	46.7
201.06094	3.1
202.02661	2.1
203.03998	14.2
203.05788	1.3
208.04549	1.2
209.02946	3.4
211.04517	2.3
213.02460	10.8
215.03969	10.4
217.05632	0.9
219.03503	100.0
220.03674	3.8
221.05037	3.6
225.02281	1.8
227.04028	8.8
229.05545	1.3
230.57599	1.1
231.03485	12.1
231.05559	1.1
233.05185	1.7
237.02420	2.2
237.04547	4.3
239.04050	1.6
242.05081	5.2
243.03413	3.9
245.05064	97.7
246.05292	4.0
247.06775	0.9
249.04565	9.9
255.03575	4.1
257.05087	6.2
261.04654	14.1
261.07489	1.2
261.08237	0.8
263.06091	13.4
265.07758	1.1
272.06351	1.3
273.04544	2.6
275.06097	14.8
279.05612	7.2
285.04510	1.9
286.07767	1.0
291.06067	1.2
291.09143	1.9
293.07141	5.8
298.08871	0.8
303.05627	26.9
304.05850	1.7
305.07211	10.1
316.08713	1.0
321.06699	36.7
322.03125	0.9
322.06833	2.0
335.08130	4.3
337.09729	1.7
339.07663	1.8
365.09219	7.8
386.62946	0.8
451.03799	2.2
483.11478	19.1
484.12302	0.9
495.72046	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.5
55.01863	5.6
55.05513	6.0
57.03440	11.1
59.04995	1.6
59.44884	1.4
61.02932	10.1
65.03912	1.8
65.89038	1.4
67.05497	5.7
69.03426	23.3
69.07059	3.4
69.69109	5.1
69.69518	3.9
70.06618	2.1
70.82216	1.3
71.01366	3.3
71.04995	2.4
73.02920	53.8
79.05505	12.6
81.03423	5.2
81.07070	10.6
83.04974	3.1
85.02906	61.5
87.04474	4.7
91.03964	2.9
91.05486	16.0
93.07043	86.2
95.04965	6.1
95.08598	14.1
97.02891	45.1
97.06526	5.7
98.20858	2.6
99.04432	2.8
103.03945	1.9
105.07027	9.7
107.08591	100.0
109.02871	5.6
109.06500	3.5
109.10175	5.7
111.04418	1.9
115.03928	24.0
119.08559	3.1
121.10153	4.4
124.03979	1.7
127.03936	19.6
128.33760	1.4
131.08565	1.6
133.04968	24.5
133.10164	2.7
135.11691	79.4
137.05991	1.9
145.04962	24.5
147.11668	1.9
151.03998	1.7
153.12756	11.9
159.11743	2.1
163.06006	8.3
165.12808	1.6
171.13867	1.6
189.12686	2.9
192.31789	1.4
196.09708	1.6
199.06018	2.2
201.70917	1.5
223.05949	3.5
231.13976	2.1
241.07089	5.1
249.14908	2.2
259.08130	6.7
267.15869	5.7
293.68283	1.4
305.15671	1.5
335.19406	2.6
425.94452	1.5
456.11136	1.9
482.25247	3.9
484.01614	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	482.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.2
54.29592	0.5
55.01852	1.5
57.03430	3.0
61.02926	4.7
67.05497	2.1
69.03424	12.3
70.82903	0.5
71.04974	1.6
71.18063	0.9
71.18401	0.6
73.02901	1.8
79.05466	2.2
81.03405	5.6
81.07037	0.7
83.04987	1.0
85.02896	25.9
87.04438	2.9
91.03933	1.8
91.05473	3.2
93.07030	1.8
95.04942	2.6
96.08125	3.2
97.02884	10.2
99.04447	2.5
105.03436	0.9
105.07047	2.8
107.04890	1.1
107.08590	1.7
109.02869	3.8
109.06476	0.6
110.06053	0.6
115.05452	1.1
117.07010	1.3
122.09652	1.9
123.04416	1.0
123.06841	0.8
124.07575	11.2
125.02399	0.6
127.03911	5.8
128.06297	0.7
129.06992	0.6
129.19763	0.5
130.06517	3.0
131.04900	0.8
131.08543	1.6
132.04422	0.6
132.08096	1.6
133.02876	0.6
133.06485	1.6
133.10080	1.3
134.09618	2.2
135.08035	0.6
136.07547	4.1
138.09142	3.0
141.06952	0.6
142.06508	1.3
143.07297	1.0
143.08495	1.1
144.08064	0.9
145.04950	3.9
145.10097	2.1
146.05994	1.0
146.09601	1.1
148.07515	1.4
148.11191	0.8
150.09134	4.6
151.03886	15.9
151.09918	7.5
152.10695	9.9
155.08528	0.7
158.05974	4.0
158.09631	2.5
160.07571	5.6
160.11237	1.6
161.08363	1.3
161.09608	11.5
161.11797	0.6
162.09129	13.3
162.10387	2.8
163.11095	0.8
164.10707	1.8
165.06946	0.6
168.08078	0.9
169.10240	0.7
170.09654	2.0
171.10403	1.7
172.07596	1.6
174.09160	4.2
175.09853	0.9
176.07228	0.8
176.10686	21.6
177.05441	1.8
185.09642	1.0
185.13264	0.6
186.09131	7.0
186.12746	4.0
187.09894	2.0
188.10683	12.1
189.09123	2.4
189.11301	0.6
190.12224	1.1
191.10570	1.5
195.10431	0.7
196.11246	0.8
198.09117	0.7
199.09953	1.8
200.10664	1.3
202.08614	0.7
203.14267	3.2
204.06483	0.8
204.10185	10.3
206.11732	5.9
207.12526	0.7
210.09071	0.9
210.12730	0.9
211.11278	0.8
212.10722	0.8
213.12823	1.3
214.08823	5.8
214.12251	23.7
215.12558	0.7
216.10219	2.1
216.13812	13.3
223.09958	0.9
226.12222	0.8
228.13791	6.6
230.15411	1.9
231.13794	18.1
232.09674	36.1
233.10106	1.0
234.11232	2.3
238.12231	3.3
239.10707	1.8
240.13817	1.2
241.12280	0.6
254.11763	1.2
256.13306	8.4
258.14874	8.3
266.11734	3.3
267.10193	1.6
274.14417	2.6
276.15915	32.0
277.16315	1.1
284.12790	32.9
285.13181	1.3
302.13840	42.0
303.14328	1.4
320.14893	100.0
321.15244	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	482.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	5.6
54.35756	3.1
54.55224	2.7
55.01866	7.0
55.05497	8.6
55.36277	3.1
57.03436	20.8
61.02923	7.5
67.05495	10.4
69.03434	36.0
69.07052	7.3
70.61104	9.0
73.02914	45.5
75.81206	3.0
79.05489	23.6
79.52192	3.3
81.03432	8.0
81.07047	15.9
85.02902	61.9
87.04447	5.0
91.03951	4.1
91.05485	24.7
93.07045	99.8
93.07636	4.9
95.04957	10.1
95.08606	19.6
97.02888	52.4
97.06519	10.2
105.07023	11.3
107.04959	5.7
107.08590	100.0
109.02864	4.9
109.06472	7.7
109.10162	4.5
115.03944	22.4
119.08568	6.9
121.10141	5.2
127.03921	22.9
133.04980	30.4
133.10100	3.4
135.11691	88.5
135.12721	4.8
137.05969	3.9
145.05000	22.6
153.12723	13.4
159.11658	4.7
160.96988	3.3
161.09547	3.7
163.06017	10.5
175.07574	3.2
178.08652	4.1
184.07446	5.3
186.79189	3.0
193.12271	3.5
196.09671	4.6
228.98845	3.1
241.07053	4.8
259.08194	11.1
267.15778	3.5
295.10086	7.5
482.19257	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	480.3083
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94002	0.3
55.05507	0.5
56.05037	0.4
57.03436	0.3
57.07080	0.2
58.06615	0.5
60.08161	6.0
61.20628	0.2
62.89561	0.2
63.32354	0.2
67.05498	0.9
69.07063	0.6
71.07364	3.0
71.50526	0.3
79.05490	0.4
81.03410	0.3
81.07057	0.9
83.08616	0.5
86.09700	29.6
91.05475	0.4
93.07030	0.7
95.08634	0.4
97.06496	0.4
98.98443	2.6
104.10736	3.0
107.08599	0.4
121.10173	0.4
124.99995	20.9
135.11696	0.5
142.33107	0.2
143.01021	0.3
184.07327	100.0
185.07626	0.6
264.14920	0.2
297.24057	0.3
462.29614	0.9
480.30792	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06595	0.6
71.50133	0.6
71.52339	0.3
72.33157	0.4
77.45686	0.4
77.51862	0.4
79.05474	0.4
84.08096	0.4
101.80919	0.3
127.03686	0.4
137.05952	5.1
147.04433	0.4
153.01747	0.4
155.03214	0.5
169.04727	0.4
171.02632	0.3
173.04153	0.8
174.52150	0.4
184.07304	0.6
186.06551	0.8
196.09688	0.4
215.05275	1.4
229.06763	0.5
258.04956	0.4
259.05814	0.7
276.05209	0.4
282.18234	0.4
285.11316	0.6
286.04672	0.8
297.11237	0.6
301.07077	0.7
302.04300	0.5
304.04602	0.8
317.08987	2.0
318.06897	1.0
319.07092	3.3
319.12665	0.4
321.18210	0.5
322.18503	1.2
349.12729	1.9
421.23239	0.3
432.04834	0.4
446.38330	0.3
454.68951	0.4
481.16791	100.0
482.17108	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	9.8
57.03419	3.4
57.07064	4.6
62.06087	19.9
66.92989	2.7
67.05505	13.1
69.07072	15.6
71.08596	3.2
71.51182	3.7
74.28310	2.3
79.05462	4.2
81.07046	8.3
83.08595	10.2
93.07064	6.1
94.31450	2.6
95.08617	6.6
97.10163	5.7
98.06049	5.4
98.98447	5.3
105.58020	2.9
107.08559	3.5
111.11730	3.2
122.40891	2.7
124.78031	2.3
155.01048	4.2
199.90736	2.4
214.75104	2.8
221.07422	2.5
235.84203	2.5
265.25140	5.7
307.91510	2.9
308.29453	100.0
323.12476	2.7
339.28943	74.3
459.90103	2.5
462.66385	3.0
467.11005	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	480.3081
Annotation	PE(18:1(9Z)/0:0)
Peak:m/z	Relative Intensity
53.03921	0.4
55.01869	0.5
55.05511	12.3
57.03437	7.1
57.07075	6.4
62.06077	0.7
65.93350	0.3
67.05500	10.4
69.07067	18.7
69.85101	2.0
71.04986	0.6
71.08628	3.2
79.05494	4.7
81.06599	0.7
81.07053	11.0
83.04965	0.9
83.08616	12.1
83.47997	0.3
85.06553	0.4
85.10181	1.7
86.09702	0.8
91.05475	0.9
93.07041	6.4
94.13999	0.3
95.08606	11.6
97.06525	1.7
97.10164	7.7
98.06052	0.5
98.98454	0.4
105.07023	0.4
107.08596	3.8
109.09473	0.5
109.10157	4.6
111.08057	1.1
111.11712	2.6
113.99938	0.4
121.10132	5.5
123.11681	1.1
124.01596	0.7
125.09636	0.8
125.13242	0.4
135.11673	3.4
135.17410	0.3
137.13179	0.5
139.11176	0.6
149.13229	1.2
153.12741	0.5
163.14842	0.7
198.05280	0.5
202.67459	0.3
216.06395	0.5
239.13235	0.4
247.24236	0.9
265.25159	1.6
308.29465	4.8
309.29834	0.4
339.28918	100.0
340.29224	2.3
441.43634	0.4
480.33624	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.9
55.01870	14.0
57.03436	24.9
59.04985	5.2
60.04508	2.7
61.02922	18.2
67.05501	5.6
69.03428	51.7
69.07066	59.6
69.17743	14.9
69.18160	9.3
71.01340	6.9
71.04998	2.5
73.02512	4.9
73.02916	84.7
74.01865	2.1
79.05494	5.3
81.03424	9.6
81.07042	18.7
83.04993	3.5
85.02901	100.0
86.09694	4.6
87.04469	9.1
91.03917	5.4
91.05486	4.1
93.05805	3.1
95.04964	3.1
95.08595	4.1
96.04453	3.2
97.02892	83.0
97.15617	2.6
99.04431	4.2
103.03916	4.5
107.05012	2.7
109.02881	9.3
109.06525	3.2
109.10158	6.9
109.33540	2.7
111.04455	2.3
115.03934	41.7
118.18391	2.4
119.04884	2.8
123.11700	75.4
125.00113	2.5
127.03916	31.4
133.04965	49.2
133.10054	2.9
137.05966	21.5
139.03996	2.5
144.06555	3.1
145.04951	43.2
151.07559	4.4
151.11174	75.2
153.01845	4.1
156.08098	3.3
163.03879	2.9
163.06023	14.5
165.05457	3.9
167.07092	3.0
169.12259	10.1
170.09683	9.3
181.05013	2.8
182.35233	2.6
184.07391	7.7
191.07091	3.5
198.09177	6.0
200.07091	7.6
216.10229	3.4
219.10150	3.9
223.06055	6.7
241.07170	6.1
259.08142	7.5
265.14352	3.9
268.09711	6.2
276.11115	2.4
283.15350	31.2
300.12360	10.9
313.16586	3.5
318.13367	10.4
420.21002	5.2
480.17343	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	479.212
Annotation	Kanokoside B
Peak:m/z	Relative Intensity
55.01848	0.9
55.05514	8.7
57.03427	0.9
57.07077	1.6
60.04527	1.8
61.02911	1.0
67.05514	5.3
69.03431	7.7
69.07066	1.0
70.06579	2.4
71.04978	2.1
71.51083	1.3
74.02404	1.0
79.05492	1.8
81.03422	2.5
81.07062	1.2
83.04977	21.1
85.02908	11.8
85.06542	100.0
91.05480	1.4
93.07043	3.8
95.04964	3.1
95.08598	3.2
97.02890	12.5
97.06547	6.4
104.64133	0.8
105.07043	1.8
106.02902	1.5
107.04965	1.4
107.08594	1.2
109.02865	2.7
109.06504	1.7
109.10152	4.0
111.08077	2.3
111.42529	0.8
111.76878	0.9
114.05457	1.0
115.03945	1.5
120.08098	1.2
121.10132	1.8
122.94110	0.8
123.08078	3.1
124.41972	1.0
127.03917	2.6
131.08571	2.1
137.06004	2.2
139.11209	4.9
149.09602	3.3
151.03886	2.2
161.05983	0.9
167.07028	3.0
167.10678	21.0
179.06955	1.0
197.08098	5.7
199.09683	2.2
203.07068	1.1
215.09151	14.0
221.08058	1.3
228.35228	0.9
239.11063	1.9
266.10376	1.2
298.12683	1.1
299.15158	3.3
317.06308	1.1
317.15921	13.9
479.20996	3.0
503.97928	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.9
55.01870	14.0
57.03436	24.9
59.04985	5.2
60.04508	2.7
61.02922	18.2
67.05501	5.6
69.03428	51.7
69.07066	59.6
69.17743	14.9
69.18160	9.3
71.01340	6.9
71.04998	2.5
73.02512	4.9
73.02916	84.7
74.01865	2.1
79.05494	5.3
81.03424	9.6
81.07042	18.7
83.04993	3.5
85.02901	100.0
86.09694	4.6
87.04469	9.1
91.03917	5.4
91.05486	4.1
93.05805	3.1
95.04964	3.1
95.08595	4.1
96.04453	3.2
97.02892	83.0
97.15617	2.6
99.04431	4.2
103.03916	4.5
107.05012	2.7
109.02881	9.3
109.06525	3.2
109.10158	6.9
109.33540	2.7
111.04455	2.3
115.03934	41.7
118.18391	2.4
119.04884	2.8
123.11700	75.4
125.00113	2.5
127.03916	31.4
133.04965	49.2
133.10054	2.9
137.05966	21.5
139.03996	2.5
144.06555	3.1
145.04951	43.2
151.07559	4.4
151.11174	75.2
153.01845	4.1
156.08098	3.3
163.03879	2.9
163.06023	14.5
165.05457	3.9
167.07092	3.0
169.12259	10.1
170.09683	9.3
181.05013	2.8
182.35233	2.6
184.07391	7.7
191.07091	3.5
198.09177	6.0
200.07091	7.6
216.10229	3.4
219.10150	3.9
223.06055	6.7
241.07170	6.1
259.08142	7.5
265.14352	3.9
268.09711	6.2
276.11115	2.4
283.15350	31.2
300.12360	10.9
313.16586	3.5
318.13367	10.4
420.21002	5.2
480.17343	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	479.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05460	0.3
70.06551	0.3
70.96038	0.6
71.04980	0.2
79.05445	0.3
81.07008	0.4
85.06503	0.3
86.09666	0.3
91.05436	0.4
93.06976	0.5
95.04936	0.3
103.56184	0.2
105.06984	0.3
107.04913	0.3
109.10106	0.4
121.10114	0.3
127.03841	0.2
135.07962	0.3
137.05910	0.7
151.07478	0.7
153.01773	0.6
154.78542	0.2
161.05937	0.5
165.05524	0.3
165.09200	0.4
167.07001	0.3
189.09027	0.3
195.10190	0.2
203.03331	0.2
207.82321	0.2
228.04129	0.5
257.04449	0.2
273.03778	0.3
274.04700	18.9
275.05002	0.6
287.05426	0.7
288.05743	0.8
289.05939	1.1
297.11343	0.3
302.04181	33.6
303.04553	1.0
317.06525	100.0
318.06824	2.4
385.10501	0.2
392.25897	0.2
479.12115	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1184
Annotation	6-Hydroxykaempferol 3-methyl ether 6-glucoside
Peak:m/z	Relative Intensity
57.03429	0.6
57.76877	0.2
58.03741	0.2
65.45329	0.2
66.68622	0.2
69.03411	1.3
70.03761	0.3
70.06556	0.3
70.75561	0.7
72.60320	0.2
73.02897	0.8
81.03407	0.2
81.07012	0.2
85.02922	1.2
86.09673	0.4
87.04469	0.5
91.05463	0.3
97.02883	1.2
98.20892	0.2
98.97605	0.4
105.06991	0.3
109.02896	0.3
111.98711	0.2
115.03922	0.8
116.04211	0.3
125.60505	0.2
133.02849	0.5
133.04961	0.4
137.05968	0.9
150.03069	0.6
151.03894	0.8
153.01804	1.7
161.05940	0.3
165.05452	0.7
165.09137	0.4
169.01366	0.7
219.01703	0.4
229.05023	1.3
237.02576	0.3
245.04308	0.3
249.57329	0.3
255.11249	0.2
257.04578	1.4
258.05121	0.5
271.05856	0.3
274.04715	14.4
275.05057	0.5
285.03876	1.8
286.04666	0.5
289.07166	0.5
299.05518	0.6
301.07007	0.9
302.04196	34.4
303.04532	1.1
313.07269	0.3
317.06543	100.0
318.06860	2.5
461.11697	0.3
479.12158	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.2
55.05516	0.9
65.03930	1.9
66.04711	1.0
67.05489	1.9
69.67887	4.1
78.02882	0.8
79.05481	5.0
81.07057	1.1
84.62041	0.8
86.09702	1.7
91.04909	1.3
91.05481	19.1
93.07038	3.3
94.04186	3.6
95.04957	3.8
103.05467	2.5
105.07052	4.3
107.04941	4.0
107.08591	2.3
108.05730	1.5
109.06528	2.5
115.05450	5.0
117.07018	3.9
118.04080	0.9
118.90205	0.8
119.04942	9.2
121.06483	5.1
122.03643	11.0
123.08058	6.3
128.06210	2.1
129.06982	6.0
131.04922	4.0
131.08527	1.8
133.06453	2.1
135.04416	1.1
135.08026	3.9
136.05190	3.9
137.05977	100.0
138.06300	2.6
143.04915	3.7
144.05669	0.8
144.41216	0.9
145.06483	3.1
146.03627	1.9
146.07286	1.4
147.04381	0.9
147.08087	1.1
149.05978	3.1
149.09637	1.6
151.03925	3.9
151.07542	59.5
153.06999	1.2
157.06491	3.7
159.08051	1.1
161.05984	23.9
161.09618	5.1
163.07526	7.4
165.07001	3.3
165.09132	3.7
167.06953	1.0
167.08484	1.1
173.05911	0.9
174.06740	1.9
175.07545	6.7
177.09120	8.0
178.07623	1.4
179.08484	1.7
181.06453	2.2
183.07921	1.1
187.07507	2.4
189.09096	13.6
193.06538	1.6
194.07320	2.2
195.08296	1.8
195.10161	36.8
197.05885	1.0
202.07884	0.9
205.06479	4.2
205.08437	1.6
207.08192	1.9
207.10161	8.0
208.08961	1.1
209.05998	2.0
209.09682	1.2
210.06720	3.0
211.07535	2.9
213.09033	1.9
219.08081	3.3
221.06010	2.0
222.06798	2.6
223.07594	1.3
224.08270	1.3
225.09070	3.0
227.06804	1.1
233.05984	3.0
234.06813	1.6
235.07568	1.9
237.09102	7.5
238.06165	2.4
239.10583	2.1
240.07634	0.9
241.08707	1.8
241.12006	1.0
245.09637	2.0
247.07518	2.8
249.09122	1.7
250.06253	2.1
251.07034	2.9
251.10759	1.5
253.08524	4.8
254.09343	1.2
255.06625	1.0
255.10060	1.5
263.07104	1.3
264.07806	1.3
265.08591	17.7
266.09320	1.3
267.10132	3.1
268.07385	2.0
269.08063	2.7
269.11694	1.2
270.08795	1.7
271.09494	1.1
273.11288	1.8
277.08591	3.0
277.12320	1.4
279.10202	2.2
281.08087	1.2
283.09625	7.3
284.10510	1.3
285.11288	8.9
287.12732	1.1
290.09344	1.6
297.08310	1.4
297.11292	18.1
299.12772	2.5
302.04138	2.3
305.11740	3.3
309.11246	1.8
311.12851	14.2
317.06537	9.3
317.13934	5.8
323.12762	3.7
325.08331	1.4
337.14362	2.7
341.14166	1.7
343.09100	1.2
343.13126	1.0
355.15375	1.5
401.13666	1.4
403.15436	2.0
447.18295	1.0
479.20984	6.8
480.27274	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.056
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78178	7.8
58.63783	6.3
69.80745	17.4
69.81150	23.7
74.96050	7.4
76.52193	7.8
93.66958	6.3
94.93011	59.2
136.94005	97.8
148.94028	24.9
166.95085	55.9
172.95329	10.8
206.88545	12.2
214.89500	7.4
214.96306	12.1
215.00056	12.0
218.28587	8.4
233.00923	9.4
248.89647	100.0
256.98135	20.4
277.83182	7.9
316.99698	9.1
372.24527	7.5
381.07904	92.4
419.03613	53.3
451.48135	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1184
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
53.03944	1.1
57.03433	0.9
61.02913	1.6
61.33306	0.5
69.03435	3.2
70.06577	0.9
70.86468	0.9
71.04976	0.8
72.08146	0.5
73.02903	0.6
79.05499	0.6
81.03397	1.9
85.02908	10.0
86.09686	0.7
91.05451	0.9
92.02626	1.3
93.03404	1.0
94.43154	0.4
97.02887	3.1
107.04978	0.7
109.02862	1.3
120.41531	0.4
121.02828	1.1
127.03912	1.8
129.06972	0.5
131.04950	0.7
133.02863	1.0
137.06001	2.9
139.03888	1.0
145.04924	1.7
149.06044	0.6
151.03865	1.1
151.07538	1.6
153.01826	7.6
161.05969	1.4
165.01880	0.8
165.05453	0.5
169.70599	0.4
176.21767	0.5
184.38420	0.6
189.09084	0.7
195.10242	0.9
201.05513	1.1
207.08142	0.6
207.10248	0.5
217.04929	1.0
217.08569	0.5
218.05803	0.8
223.07666	0.4
226.09988	0.4
228.04160	1.5
229.04982	3.0
231.02779	0.5
237.09128	0.5
245.04405	1.4
246.05165	1.7
253.08470	0.6
256.03830	0.6
257.04449	2.5
260.03232	0.6
265.08554	0.7
273.03946	1.8
274.04745	4.4
279.10513	0.5
284.03079	0.5
285.03976	4.2
297.11298	0.7
302.04221	12.9
317.06564	100.0
318.06866	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2926
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
51.89161	0.2
53.03935	0.8
55.01864	0.5
55.05513	11.6
55.19211	0.3
57.03167	0.4
57.03438	7.3
57.06779	0.3
57.07073	1.8
62.06078	0.4
64.63563	0.2
65.03942	0.4
67.05503	24.9
69.03403	0.3
69.07068	14.4
71.04992	0.8
71.08627	0.6
71.47147	0.5
78.46552	0.2
79.05492	6.8
79.19399	0.3
81.07053	23.6
83.04975	1.0
83.08619	7.1
85.06532	0.8
85.10252	0.2
91.05474	4.7
93.07038	7.0
95.04967	0.5
95.08604	18.2
96.08894	0.3
97.06533	1.3
97.09516	0.4
97.10148	3.5
98.06040	0.4
98.98475	0.6
99.08089	0.4
105.07021	2.5
107.08601	3.7
109.04372	0.3
109.06544	0.4
109.10149	6.8
111.08106	0.8
111.11671	0.5
119.08569	2.5
121.10139	2.9
123.08086	0.4
123.11709	2.6
124.01590	0.4
125.09625	0.6
133.10144	2.0
135.11679	1.1
137.13242	1.0
139.11168	0.3
147.11688	1.2
149.13255	1.0
151.11218	0.3
161.13277	1.0
163.14799	0.6
175.14833	0.4
177.16594	0.3
183.89937	0.2
189.16373	0.4
189.39774	0.3
216.06262	1.0
245.22670	0.5
263.23740	1.1
306.27875	3.5
321.56549	0.3
337.27353	100.0
338.27676	4.4
364.05530	0.3
399.51584	0.3
417.69046	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2927
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
53.03934	0.9
55.05510	12.0
57.03445	4.6
57.07068	1.7
59.04979	0.7
62.06089	23.3
67.05504	31.8
69.07067	17.9
71.02712	0.6
71.03036	1.2
71.04978	0.8
71.08624	1.0
79.05078	0.7
79.05492	9.2
79.15988	0.5
81.07054	31.0
82.07407	0.7
83.04968	1.7
83.08246	0.6
83.08631	7.3
85.06522	0.9
87.04447	0.6
91.05473	5.4
93.07043	9.0
95.04995	0.8
95.08605	23.2
97.06496	2.3
97.10198	3.0
98.06038	1.6
98.98467	8.0
99.77801	0.5
105.07043	4.9
107.08590	5.9
109.06503	0.9
109.10155	8.2
111.08089	0.8
111.11727	0.6
119.08575	3.5
121.10130	5.2
123.11676	4.2
124.01607	1.9
124.93832	0.6
125.09635	0.9
131.08560	0.7
133.10127	3.7
135.11703	2.6
137.13251	1.4
142.02626	1.0
142.94824	0.7
147.11664	2.0
151.11316	0.6
151.14813	0.6
155.01028	3.9
161.13293	1.0
163.14757	1.3
173.02116	1.5
175.14774	1.4
198.05232	1.8
200.33473	0.6
207.13496	0.6
216.06354	3.1
233.35040	0.6
245.22685	1.0
263.23672	4.1
274.36877	0.6
284.02789	0.6
305.84076	0.6
306.27890	9.4
319.26233	0.9
337.27356	100.0
338.27652	5.3
460.28235	1.7
478.20322	1.2
478.28860	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.0
54.35987	1.8
56.05041	3.2
61.02923	3.2
67.05498	5.6
68.05018	7.4
69.03436	12.2
70.02947	6.3
70.06592	18.4
70.76527	5.0
73.02898	2.3
74.02447	29.2
79.05478	8.8
80.05003	8.8
81.03416	8.2
81.07075	3.1
84.08140	1.9
85.02902	22.7
85.06553	3.7
87.04462	3.3
91.05473	14.3
93.07040	4.9
94.06538	2.2
95.04968	44.1
95.08598	5.1
97.02882	11.5
98.06031	2.4
102.99404	2.0
103.05466	3.5
105.07045	11.1
106.06584	5.0
107.04971	24.6
109.02872	6.7
109.06538	9.0
114.05524	4.7
115.05457	2.5
116.07083	9.7
117.07045	2.3
119.08576	8.8
121.06486	5.5
123.04433	24.9
123.08044	6.9
125.02341	7.7
126.05521	21.7
127.03870	3.6
128.06183	2.3
129.07008	13.7
131.04936	3.3
131.08566	6.4
132.08110	13.3
133.02824	3.3
133.06496	8.3
134.06004	3.0
134.09715	3.1
135.04407	6.7
137.05992	4.7
139.03893	6.3
141.05466	6.3
145.04945	4.9
145.06491	3.5
146.09647	4.5
147.04384	2.8
147.08029	16.0
148.07571	4.2
149.06003	10.9
150.05495	7.8
150.09137	10.6
151.03902	56.7
151.07455	3.9
152.07097	8.2
153.05446	7.6
155.07036	7.2
156.08109	4.9
157.06461	6.8
159.04333	2.4
161.05923	4.9
163.07510	2.7
164.07001	2.0
165.05486	50.4
167.07028	18.6
168.06509	2.8
174.09152	11.5
175.07645	9.0
176.10765	2.8
177.05495	11.1
177.09094	3.0
178.08609	14.9
179.07118	2.4
184.07524	4.7
185.05939	3.8
191.07021	5.8
192.10182	7.5
193.08638	13.0
194.11819	1.8
195.06583	10.1
196.06006	4.9
196.09702	2.3
202.08661	22.2
203.07079	4.5
207.10127	6.0
209.08051	5.7
210.07768	2.2
211.09775	2.1
214.07080	6.0
220.09700	58.7
221.08055	6.5
225.11166	3.0
227.09097	4.1
228.08623	9.9
231.06387	3.1
234.11235	6.2
238.10744	100.0
239.11263	2.7
242.50276	1.8
248.09204	11.2
249.07556	22.3
252.12309	29.6
262.10516	2.1
266.10269	40.8
270.13312	2.7
280.11783	17.8
281.10266	5.3
284.11285	38.7
298.12848	92.5
316.13870	23.8
399.74014	2.0
478.18887	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	478.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.3
55.01874	6.9
61.02918	5.8
61.60882	3.5
67.05512	8.7
68.05032	5.8
69.03427	12.7
70.02954	3.8
70.06592	21.4
71.51002	3.0
73.02924	5.0
74.02445	40.2
74.06112	3.7
79.05499	12.2
80.05017	11.3
81.03410	9.8
81.07069	3.1
85.02911	34.1
87.04463	8.5
91.05482	13.1
93.07036	7.2
95.04961	47.2
95.08623	11.2
97.02908	16.7
103.05508	6.3
105.03370	3.5
105.07018	20.2
106.06545	10.1
107.04955	31.4
109.02881	11.9
109.06544	10.5
114.05524	7.8
115.05453	4.2
116.07088	3.9
117.07016	5.9
119.08575	17.7
120.08010	2.8
121.06538	15.8
123.04417	22.3
123.08057	9.7
124.03941	9.7
124.07549	3.8
125.02361	12.9
126.05509	22.9
127.03934	8.3
129.06966	14.7
131.04991	2.7
131.08557	8.4
132.08069	18.9
133.06514	13.3
134.09601	3.7
135.04462	7.5
137.05969	5.9
139.03908	3.9
141.05461	6.6
145.04912	5.5
145.06596	2.9
146.09712	5.9
147.08075	22.4
148.07518	5.2
149.05992	15.6
150.05498	11.3
150.09157	13.0
151.03906	66.8
152.07077	9.8
153.05499	10.0
155.07043	3.8
156.08119	6.0
157.06522	6.1
159.04388	5.5
161.05951	4.1
163.07535	4.0
164.07079	3.1
165.05487	60.4
167.07028	19.1
174.09161	17.5
175.07556	13.7
177.05481	11.0
177.09003	4.6
178.08646	22.3
179.06894	3.7
185.05876	3.8
191.06932	7.0
192.10217	9.8
193.08643	10.5
195.06531	12.7
196.06105	6.1
196.09668	3.8
202.08688	19.2
207.10193	45.1
209.08031	16.7
210.05826	3.0
211.09639	3.2
213.85126	3.0
220.09747	40.3
221.08020	5.2
225.11296	5.2
227.09172	5.8
228.03342	5.5
228.08829	3.2
234.11340	6.4
238.10753	100.0
248.09229	15.8
252.12329	45.0
266.10223	54.6
280.11813	29.9
282.49136	3.2
284.11252	69.5
284.14218	5.3
298.07474	12.8
298.12863	84.8
298.16147	6.4
316.08453	5.7
316.13916	20.4
429.65875	3.7
478.19769	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	478.1379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.9
55.01883	3.0
57.03425	2.5
57.80240	1.5
58.99577	11.0
61.02920	5.5
67.05509	3.4
69.03427	18.9
70.06589	3.3
70.69013	3.3
71.01350	1.8
71.04997	3.0
73.02911	2.5
76.02225	3.9
79.05489	9.7
80.05007	7.3
81.03420	11.0
81.07044	3.0
82.06571	3.2
83.17353	1.4
84.08144	2.1
85.00225	1.5
85.01128	3.6
85.02905	34.0
86.00649	13.6
86.99055	10.4
87.04453	2.9
88.03992	3.6
91.03951	2.4
91.05479	4.2
93.07051	1.7
95.04963	15.1
96.04487	3.3
96.08121	2.2
97.02894	15.1
99.04430	1.9
102.03772	4.0
103.05433	2.2
105.00104	5.1
106.06563	36.7
107.04961	13.0
108.08143	1.9
109.02882	9.5
109.06499	3.0
111.02665	1.6
119.04961	2.4
120.08113	1.7
121.06549	2.9
122.02670	7.0
122.09702	1.6
123.04402	7.0
123.08080	1.5
124.03959	70.0
124.07597	2.5
125.02354	14.3
126.05505	6.4
127.03922	9.1
130.06523	2.3
131.01625	8.7
132.01112	11.5
135.04463	2.8
137.06004	3.9
138.03717	2.2
138.09218	1.6
140.03410	3.4
145.04955	5.1
146.02695	1.7
148.04297	6.6
148.07576	3.2
149.05977	5.1
150.05472	3.0
151.03912	43.8
153.05482	4.6
156.46092	1.5
159.04407	1.9
165.05486	1.9
166.03337	1.6
168.10109	2.1
176.07056	6.1
177.05446	4.7
179.06953	1.8
182.02690	13.3
184.04277	16.1
186.05847	5.5
194.08156	1.9
195.06516	9.0
208.04306	2.4
208.09772	1.6
210.05841	58.0
212.07437	1.7
226.01691	3.2
226.08971	2.0
228.03239	28.1
230.04807	13.3
234.05930	2.0
246.04274	2.6
252.06862	25.1
254.08456	17.7
270.07800	3.0
272.09665	6.8
280.06369	24.7
288.01657	1.5
298.07434	100.0
299.07953	2.1
316.08481	62.3
412.67868	1.6
421.74136	1.5
460.12817	3.2
478.13544	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	477.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45740	1.7
51.89779	2.0
53.03959	10.1
53.86379	1.8
55.01871	19.2
55.05512	87.6
57.03440	16.9
59.05013	2.6
65.03952	3.8
67.05506	86.3
69.03436	11.6
69.07071	23.1
71.04978	6.8
74.16462	2.1
76.04038	1.8
79.05492	87.9
81.03416	77.0
81.07054	77.8
83.04971	20.0
83.08617	52.0
85.02906	14.4
85.06544	5.8
86.57451	2.2
91.05479	76.3
93.07042	52.7
95.04971	42.7
95.08601	36.1
97.02868	2.9
97.06528	12.0
97.10166	58.1
99.08083	2.4
103.05488	6.3
105.06314	2.8
105.07029	55.1
107.04961	48.7
107.08588	43.6
109.06535	14.5
109.10166	15.3
111.04456	2.9
111.08078	17.1
113.06057	3.1
115.05460	5.3
117.07009	26.9
119.04956	4.8
119.08578	31.1
121.05669	3.3
121.06499	43.7
121.10160	11.8
121.61795	2.0
123.04477	5.1
123.08080	11.3
123.11694	6.0
125.06046	2.9
125.09640	38.3
128.06221	5.8
129.07007	31.7
131.04921	8.5
131.08568	27.5
133.06517	15.0
133.10123	23.3
135.04408	3.2
135.08041	13.0
135.11694	5.4
137.05925	3.5
137.09627	5.5
141.06960	6.2
142.07777	5.1
143.08553	13.2
144.05699	2.3
144.09328	2.1
145.06485	29.1
145.10118	14.1
147.04390	7.7
147.08032	16.5
147.11705	23.4
149.09583	10.1
151.07561	4.5
151.11205	3.1
153.09081	10.2
153.12729	3.1
155.08553	9.2
157.06497	6.8
157.10110	22.9
159.08115	7.5
159.11606	4.5
161.05997	5.8
161.09650	8.1
163.07536	2.1
163.11151	6.7
165.12740	3.1
167.08472	2.9
169.10188	6.1
171.08081	7.6
171.10194	2.5
171.11681	6.6
173.09641	4.1
173.11774	3.3
173.13197	4.4
175.11166	18.4
177.12869	2.7
181.06480	2.5
181.10110	4.3
183.08029	4.0
183.11757	2.7
185.09677	4.0
185.13245	4.2
187.11243	2.9
187.14886	3.0
189.09373	3.4
189.11227	28.1
189.12767	6.3
193.12227	53.8
193.13885	3.3
195.11722	5.8
196.30864	1.9
197.09624	2.7
197.13344	5.5
199.11223	4.3
201.12935	2.2
205.12233	4.2
205.15744	2.1
211.11317	2.5
211.13260	32.4
211.15041	3.9
213.12794	7.4
214.30917	2.3
215.14304	6.9
217.12201	6.1
223.13142	2.7
227.12604	18.8
227.14795	3.0
229.35472	1.9
231.13872	6.4
233.15384	22.6
235.13243	2.3
237.12837	3.2
241.14429	6.4
243.13911	2.6
245.15355	5.1
249.14912	7.1
255.13820	5.7
259.13412	3.6
261.14795	2.8
267.15909	26.6
273.14890	17.5
275.16559	4.0
283.82031	1.9
287.16559	2.9
289.18076	2.2
291.15958	4.0
300.36630	1.9
318.93161	2.4
321.22095	3.0
331.20764	2.6
337.95990	2.7
339.23141	10.7
341.21008	2.3
341.24734	2.0
349.21600	23.5
357.24228	15.3
367.22681	57.2
375.25305	1.9
385.23743	100.0
403.24817	28.8
405.24652	2.8
433.25854	7.0
441.26569	10.2
456.86234	2.2
459.27414	88.0
477.28494	94.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02143	3.1
55.01867	17.1
55.05270	4.6
55.05510	55.9
57.03428	12.9
65.03909	3.4
67.05503	64.6
69.03417	9.8
69.07076	16.2
71.04981	6.4
75.02852	3.3
79.05025	3.3
79.05490	62.7
81.03417	44.3
81.07056	44.8
83.04965	8.7
83.08619	30.4
83.64228	2.6
85.02903	4.3
85.06528	5.9
91.05486	45.8
92.28350	3.8
93.07044	35.0
95.04951	33.9
95.08608	29.6
97.06532	9.2
97.10158	45.4
102.37873	2.8
103.05457	3.6
105.04539	2.7
105.07026	36.0
107.04956	35.6
107.08578	25.9
109.06508	13.0
109.10149	15.8
111.04347	4.0
111.08075	9.3
113.06032	4.4
115.05438	4.2
117.07003	19.6
119.04866	3.3
119.08573	25.4
121.06491	38.0
121.10123	13.9
123.04459	3.0
123.08047	9.7
125.09640	35.6
129.07010	18.5
131.04973	4.6
131.08508	22.8
133.06459	11.8
133.10129	11.6
135.08040	13.5
135.11629	3.3
141.06976	6.6
142.07814	3.8
143.08549	13.0
145.06476	24.6
145.10075	9.5
147.08017	10.6
147.11647	11.7
149.09566	8.2
153.09061	8.3
153.12726	5.3
155.08557	6.4
157.06567	3.6
157.10118	13.1
159.08089	7.9
159.11678	8.9
161.09642	6.6
163.11189	4.8
166.04945	2.9
169.10143	6.4
169.47830	3.0
171.08092	5.7
171.11673	8.2
173.09645	5.6
175.07585	4.3
175.09689	2.9
175.11174	11.9
181.10100	3.5
183.11691	7.1
185.09630	5.2
185.13242	4.8
187.11169	5.0
187.14796	3.8
189.11186	23.6
189.12770	6.5
193.12239	28.6
195.11653	4.4
199.11180	6.5
205.12187	5.2
211.11343	5.0
211.13234	7.8
213.12796	7.4
215.14355	4.4
217.12294	4.5
223.13232	5.3
227.12698	21.2
233.15361	16.6
239.14401	3.4
241.14410	4.2
245.15425	4.8
249.14883	5.6
255.13690	3.7
257.15341	4.2
267.15930	18.2
273.14905	15.2
291.16037	4.4
299.16754	3.8
339.22989	10.4
341.20856	4.2
349.21640	17.8
357.24243	13.9
367.22610	45.7
375.25061	4.3
385.23715	81.1
403.24698	31.9
423.25296	4.2
433.25656	10.7
441.26282	9.9
457.43234	3.3
459.21237	6.1
459.27411	100.0
461.15961	3.2
477.22253	5.6
477.28448	73.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97786	1.9
53.03945	10.3
55.01860	13.3
55.05508	62.8
57.03435	18.3
57.07061	2.1
60.19649	2.1
65.03932	4.1
67.05502	80.6
69.03425	10.6
69.07069	20.8
71.05001	10.7
71.50143	3.7
77.03957	2.7
79.05490	83.8
81.03416	85.1
81.06594	4.0
81.07054	71.1
83.01343	2.2
83.04980	26.1
83.08619	43.3
85.02906	16.5
85.06540	6.0
90.71117	1.8
91.05477	100.0
93.07037	57.3
95.04964	43.0
95.08606	29.8
96.05141	1.9
97.02882	4.5
97.06525	9.0
97.10162	42.4
99.08089	2.7
101.05958	2.2
103.05467	4.2
105.04498	2.3
105.07025	62.5
107.04958	43.5
107.08601	31.8
109.06531	11.9
109.10133	14.5
111.04429	4.1
111.08079	13.1
113.06005	2.9
115.05434	5.9
116.00166	1.9
117.07003	19.9
119.04939	4.7
119.08566	35.5
121.02898	2.1
121.06506	23.1
121.10162	14.7
123.08060	9.9
123.11716	7.5
125.09621	33.5
127.07537	2.9
128.06282	4.8
129.06996	28.7
129.74022	2.1
131.04915	5.4
131.08566	24.0
133.06523	10.4
133.10139	26.9
135.08028	10.5
135.11705	7.0
137.06044	3.2
137.09607	3.3
141.06982	3.9
141.16791	1.9
142.07771	4.1
143.08562	7.1
145.06468	16.0
145.10101	13.1
147.04434	3.3
147.08041	13.3
147.11682	24.6
149.09625	8.2
149.13324	4.7
153.09114	6.9
153.12721	2.6
155.08572	6.2
157.06519	4.5
157.10155	24.3
159.08098	6.0
159.11717	6.6
161.05908	2.7
161.09578	3.3
163.11211	8.8
165.12747	5.4
167.08452	2.3
169.06500	2.3
169.10139	6.8
171.08023	4.2
171.11705	6.8
173.09636	4.3
173.13196	2.4
175.11171	19.1
177.12733	3.8
181.10110	5.6
183.11736	3.1
185.13252	3.6
187.11232	2.9
187.13351	2.9
187.14874	2.5
189.11229	18.9
189.12766	3.5
191.10564	2.3
193.12251	53.4
193.13904	4.0
195.07997	2.6
195.11725	3.9
195.13876	3.2
197.09645	3.2
197.11430	2.1
197.13246	4.9
199.07697	2.2
199.11107	4.4
205.12212	3.7
211.11320	3.7
211.13274	31.0
213.12843	2.3
213.14896	1.9
215.14346	5.1
217.12312	5.4
223.13232	2.8
227.12727	15.4
231.13885	3.4
233.15236	15.1
237.12801	2.8
241.14380	3.1
243.13742	2.0
243.16003	2.6
245.15424	2.9
249.14877	5.4
255.13826	3.3
263.16498	3.3
267.15897	32.3
269.15378	2.2
273.14810	15.8
291.15833	4.5
339.23230	8.9
341.21088	2.7
349.21555	16.9
357.24304	9.9
367.22650	38.9
385.23703	57.6
385.28458	3.3
403.24716	19.9
433.26044	5.1
441.26389	8.6
459.27365	88.5
477.28516	88.4
477.35504	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	477.1391
Annotation	Irisolidone 7-O-beta-D-glucoside
Peak:m/z	Relative Intensity
54.57999	0.1
55.05493	0.2
58.75456	0.2
66.62617	0.2
67.05494	0.4
70.55701	0.3
70.56068	0.5
71.80206	0.1
72.08141	0.2
79.05484	0.2
93.07028	0.3
97.11087	0.1
129.06839	0.1
147.99828	0.1
151.07506	0.1
153.01843	0.3
163.07460	0.2
178.02608	0.4
242.05757	1.3
253.05072	0.4
254.05743	1.3
255.06482	0.2
269.04263	0.2
270.05252	0.6
271.06009	9.4
272.06583	0.3
282.05331	0.2
283.05978	0.3
285.04022	1.5
286.04764	2.7
297.04156	0.3
299.05493	33.3
300.06216	6.7
315.08606	100.0
316.08994	2.8
385.23788	0.3
436.24802	0.2
459.27469	0.2
467.79236	0.2
477.14102	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57824	0.6
53.03918	0.6
54.03461	3.4
58.53960	0.6
59.06118	1.5
66.15900	0.6
67.05490	1.0
70.06579	0.8
71.49648	1.3
80.05026	1.0
81.04538	67.7
82.05310	0.8
84.08125	0.7
85.02908	0.8
85.07674	0.8
85.66338	0.8
91.05463	0.9
95.04991	0.9
96.04451	0.7
97.02912	0.8
99.55252	0.7
103.05502	0.7
103.37681	0.6
107.04941	1.1
121.06458	0.8
122.07146	100.0
123.07955	11.4
124.03947	25.2
140.08212	0.9
148.07597	0.8
149.08226	2.8
151.03900	0.8
168.06425	0.6
176.07059	1.3
183.40816	0.6
183.98459	0.7
235.14372	1.0
245.10335	74.0
246.10918	2.6
279.13281	0.9
297.14343	3.4
315.14526	10.5
400.85361	0.6
477.19818	90.1
478.20078	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	477.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96801	1.2
57.03437	2.6
57.24414	1.0
67.05489	1.0
69.03413	1.5
69.24149	10.8
71.04998	16.1
73.02922	5.6
79.05494	1.8
80.37003	1.0
85.02904	24.1
90.01237	1.0
91.05479	6.5
94.04180	2.5
95.04971	2.4
103.05440	2.3
105.07005	2.6
107.04961	2.0
111.04469	1.6
115.05449	4.4
117.07037	2.4
119.04941	5.5
121.06516	2.9
122.03648	5.9
123.08041	2.9
128.06245	2.3
129.05511	5.7
129.06989	2.6
131.04964	4.7
131.08562	1.2
133.06487	1.1
135.08080	2.1
137.05981	100.0
138.06337	1.7
143.04918	4.5
143.08537	1.8
145.04947	1.2
145.06511	2.2
147.04391	2.0
147.07991	1.5
149.05954	2.2
151.03944	3.1
151.07549	34.2
155.08559	1.5
157.06497	4.5
160.05092	2.5
161.05991	8.4
163.07574	9.8
165.05638	1.6
165.07033	3.3
165.09100	2.6
167.08502	2.6
171.08035	5.3
174.06717	2.0
175.07558	26.5
177.05478	7.3
177.09122	7.9
179.06976	1.3
181.06436	1.6
181.89178	1.2
183.08054	2.7
187.07571	3.5
189.05431	1.7
189.09122	12.0
191.07031	2.6
191.08611	1.9
191.10803	1.7
195.08092	3.9
195.10176	11.9
197.06009	1.3
199.07527	2.6
201.09125	3.0
203.07013	4.2
203.10733	4.2
205.08517	2.2
207.08163	1.2
211.07533	2.6
213.09116	1.5
215.10727	1.6
217.08592	4.3
219.08237	1.4
219.10182	5.0
221.05984	1.3
221.09673	2.6
221.11597	1.3
223.07538	2.2
225.09096	2.8
227.10770	3.9
231.10045	2.1
241.08722	1.3
243.10382	1.2
248.08328	2.0
249.09009	1.4
249.11226	1.3
253.08652	1.6
253.12273	1.7
253.78976	1.1
255.10168	4.4
261.08975	1.5
261.11374	2.7
263.06818	1.1
263.10715	2.8
265.08621	2.3
267.10245	1.8
273.09000	1.2
275.10471	1.2
277.08609	2.5
279.10104	2.0
281.11841	1.8
285.11292	2.7
287.05518	1.5
287.13010	8.2
289.12033	1.9
290.09314	1.5
291.10092	3.4
297.11154	2.3
299.12781	2.6
302.09335	1.3
303.10165	1.4
305.11777	3.4
309.11163	4.1
311.12598	5.5
313.14377	6.6
315.09244	1.2
317.11740	3.4
321.11288	4.3
323.12723	3.2
325.14249	1.5
331.15320	4.0
335.12830	4.0
337.14441	3.1
341.13873	2.5
343.15271	5.3
349.14331	3.0
355.15292	4.6
357.16962	1.6
363.15744	1.3
365.13885	1.4
367.15466	12.5
367.19656	1.8
385.16415	2.5
397.16199	1.2
423.18057	5.2
477.20361	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.2
55.05511	6.1
57.03438	5.9
62.06064	0.6
65.03931	1.1
67.05505	24.5
67.47132	0.6
69.07068	6.5
69.75985	0.9
69.76394	2.7
75.76618	0.5
79.05493	12.7
81.06598	1.1
81.07057	22.0
83.04929	0.7
83.08601	2.3
87.30389	0.5
91.05486	6.7
92.43314	0.5
93.07044	14.2
95.04963	1.7
95.08609	16.6
97.06571	1.0
97.10140	0.9
105.06997	3.5
107.08593	5.5
109.09490	0.6
109.10162	5.9
117.07024	1.3
119.08563	2.0
121.10143	4.5
123.08060	0.7
123.11704	1.5
124.01581	0.6
131.08557	2.0
133.10143	2.0
135.11700	2.5
145.10120	1.5
147.11702	0.9
149.13242	1.2
161.13245	0.7
162.65919	0.6
173.13208	0.7
190.02879	0.6
252.59398	0.5
256.28757	0.5
261.22153	1.0
293.63953	0.5
304.26471	1.9
335.25797	100.0
336.26157	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	476.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.8
55.05508	8.9
57.03428	4.9
59.51572	1.0
62.06087	34.7
65.03926	1.8
67.05505	30.5
69.07077	8.8
69.34429	10.4
71.04999	1.2
79.05487	18.7
81.03413	1.1
81.07059	25.2
83.04961	1.2
83.08605	2.7
91.05480	11.0
93.07044	20.7
95.04961	2.0
95.08606	22.3
97.10185	1.5
98.06015	1.7
98.98470	10.0
105.07018	7.4
107.08595	10.2
109.10168	8.1
117.07024	2.1
119.08568	5.3
121.10129	9.2
123.11713	2.4
124.01592	2.5
125.09606	1.3
131.08566	4.0
133.10123	4.3
135.11674	5.4
142.02679	2.2
144.96486	1.1
145.10115	1.8
147.11664	2.9
147.15997	1.4
149.13242	2.4
155.01028	3.2
159.11665	3.4
161.13297	2.2
173.02107	3.8
173.13242	2.5
173.40715	1.3
175.14789	1.2
188.85672	1.2
198.05263	3.0
216.06325	3.5
243.21097	2.7
261.22147	5.7
304.26288	8.9
335.25790	100.0
336.26151	4.0
415.22534	1.8
458.26816	3.5
476.27545	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	476.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.6
55.05515	6.6
57.03434	5.6
57.07059	1.5
62.06072	0.8
65.03917	1.2
67.05503	30.1
69.07066	5.0
69.27133	6.1
71.08577	0.5
79.05492	14.8
81.07053	27.4
83.08590	2.4
85.06533	0.6
91.05473	7.5
93.07040	17.7
95.04985	1.7
95.07991	1.1
95.08604	19.4
97.10172	0.8
98.20705	1.1
105.04483	0.7
105.07020	4.8
107.08588	8.2
108.62616	0.5
109.10149	6.7
117.06987	1.8
119.08571	3.0
121.10124	5.3
123.11726	2.7
129.05437	0.6
131.08548	4.1
133.10114	2.5
135.07988	0.5
135.11703	5.0
137.13255	0.9
145.10104	2.6
147.11690	1.6
149.09615	0.6
149.13271	2.5
159.11678	2.5
161.13161	1.4
163.14813	1.0
173.13280	1.9
175.14868	0.7
177.16360	0.6
187.14754	0.8
198.78377	0.6
216.06190	1.0
234.45438	0.6
243.21042	2.0
250.67105	0.6
261.22128	2.4
288.21158	0.7
304.26285	1.6
317.24768	1.8
335.25784	100.0
336.26233	3.3
384.69226	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.1
60.40010	0.8
60.47773	0.8
61.02932	0.9
63.03012	0.7
69.03421	2.2
70.69021	2.3
72.30262	0.8
73.02950	1.0
76.44289	0.9
79.05495	1.4
80.05029	1.7
81.03422	1.1
84.22996	0.8
85.02909	4.5
85.48476	0.8
88.98951	0.8
95.04951	1.6
96.04479	3.6
97.02864	2.6
102.98521	0.9
104.41962	0.9
105.07013	1.3
106.06535	3.1
107.04916	1.4
109.02850	0.9
120.99560	2.3
122.02422	1.4
123.04443	1.1
124.03950	100.0
125.02361	2.7
125.04301	1.4
126.05518	1.1
127.03860	1.6
140.03406	5.1
147.04292	1.0
148.07533	2.6
150.05518	2.2
151.03949	2.3
152.01627	1.0
164.03433	1.6
176.03433	2.0
176.07042	3.8
177.11174	0.8
180.01131	1.3
180.02820	1.3
182.02719	1.4
184.20285	0.9
194.04442	4.0
194.08275	1.0
198.02251	2.5
202.54405	0.9
208.29726	0.9
226.01678	21.1
226.05118	1.2
244.02751	12.4
250.05466	1.3
264.08658	3.8
268.06369	5.5
278.04645	1.0
296.05865	50.3
297.06192	1.1
314.06979	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	476.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	4.6
57.03437	48.2
61.02916	16.9
69.03429	46.0
70.80563	9.7
73.02914	100.0
76.54579	4.3
81.03379	5.7
85.02901	67.6
87.04437	5.0
95.04977	4.3
97.02889	67.8
105.07024	17.4
108.83221	4.8
109.02883	10.4
110.50191	4.1
115.03928	50.5
124.05230	23.0
127.03902	14.1
130.14912	4.7
133.04971	25.3
133.06483	20.0
137.05972	38.7
138.06335	5.1
144.06564	5.1
145.04961	22.6
145.06487	6.5
152.85301	4.1
162.07637	5.1
163.07617	5.4
165.09120	69.5
167.06987	8.9
175.07724	5.4
176.08026	6.0
181.04979	8.9
189.09084	5.0
241.07048	6.1
452.14484	4.4
470.95633	6.3
475.96542	5.6
476.20139	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	476.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52078	4.8
54.45066	3.6
55.01865	6.1
57.03436	44.3
61.02908	15.8
69.03420	40.3
69.52081	36.6
71.01352	5.3
71.04990	4.6
73.02909	100.0
81.03427	8.2
85.02893	64.1
90.87856	4.6
91.05454	6.1
96.35651	4.0
97.02883	64.6
98.21497	8.5
105.07018	17.7
109.02874	9.0
115.03160	5.1
115.03921	66.5
117.07046	6.9
120.08134	5.5
124.05190	22.4
127.03879	27.8
133.04987	26.4
133.06462	14.4
137.05969	56.8
138.06316	8.3
144.06583	5.9
145.04962	24.0
151.07542	7.9
162.07678	5.6
163.07510	6.8
165.09108	82.0
167.07013	15.5
175.07521	18.0
181.04926	13.2
181.23570	4.8
189.09187	7.8
201.09088	4.9
241.06871	5.4
314.89743	5.0
315.05069	8.3
322.11847	5.6
356.36243	4.9
399.21280	4.2
476.18369	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	475.3418
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.5
55.01868	0.6
55.05308	0.2
55.05508	2.6
57.03428	0.3
57.07063	0.4
58.28630	0.3
67.05504	5.2
69.07060	1.5
69.24492	2.4
69.24895	0.8
71.04959	0.5
71.93431	0.3
79.05492	2.6
81.03410	1.1
81.07060	6.6
83.04967	1.3
83.08607	1.1
91.05491	2.3
91.58900	0.3
93.07050	2.3
95.04947	1.4
95.08608	5.3
95.12579	0.4
97.06547	0.6
97.10180	0.8
105.07015	1.1
107.04929	1.4
107.08562	1.7
109.06511	0.5
109.10165	6.8
111.04457	0.4
111.08099	0.3
113.09615	0.4
115.07474	0.3
117.07037	1.2
119.04984	0.5
119.08573	3.7
121.06496	0.7
121.10141	1.4
122.07288	1.3
123.08062	0.6
123.11700	1.1
125.09640	0.8
129.07018	0.7
131.04921	0.4
131.08618	0.8
133.06442	0.8
133.10083	0.5
135.08043	0.7
135.11696	0.8
137.05968	0.9
137.09619	10.5
137.13196	0.6
145.06473	0.5
145.10071	1.0
147.04433	0.3
149.09602	2.3
149.13264	0.7
151.07527	0.5
151.14796	0.8
157.06419	0.4
157.10126	0.4
159.07997	0.6
161.05984	1.5
163.11177	1.1
163.14798	0.3
165.09113	100.0
166.09436	1.5
167.06992	0.5
167.14313	0.4
171.08040	0.4
173.09645	0.7
175.07404	0.5
177.09111	1.1
179.10641	0.5
189.09137	0.5
189.11119	0.3
190.09810	0.6
191.10664	0.7
193.12189	0.3
203.10738	0.4
205.12262	6.1
227.12810	0.8
270.16574	0.3
289.14474	0.5
323.25800	0.9
336.68396	0.3
365.20969	0.7
383.22253	2.9
401.23373	0.8
429.33710	1.1
439.24597	0.4
457.25824	1.9
475.17053	0.5
475.26819	3.7
475.34030	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.5
55.01872	0.9
55.05510	3.1
55.95933	0.2
57.03426	0.6
57.07063	0.4
61.24579	0.2
65.03918	0.5
67.05508	6.8
69.03426	0.3
69.07068	2.1
69.76755	0.3
69.77168	0.8
70.17348	0.2
71.04962	0.6
79.05066	0.3
79.05495	3.4
80.77798	0.2
81.03425	3.0
81.06599	0.4
81.07059	7.3
83.01303	0.2
83.04979	1.6
83.08628	1.7
85.06564	0.3
91.05481	2.9
93.07045	3.2
95.04973	1.8
95.08605	6.1
96.94577	0.2
97.02867	0.2
97.06509	0.7
97.10166	1.5
98.21436	0.3
100.31154	0.2
101.06001	0.6
103.05431	0.3
105.07026	2.0
107.04934	1.7
107.08594	2.6
109.02869	0.3
109.06509	0.8
109.10157	7.7
111.04436	0.4
111.08047	0.4
111.11723	0.3
113.09663	0.2
115.05412	0.3
117.07035	1.5
119.04918	0.3
119.08578	3.7
121.02867	0.6
121.06508	1.3
121.10147	1.3
122.07285	1.9
123.08099	0.5
123.11724	1.3
125.09672	1.1
127.11203	0.3
128.06195	0.4
129.05482	0.3
129.06996	1.1
131.04890	0.6
131.08577	1.5
133.06485	0.7
133.10149	0.9
135.04433	0.4
135.08058	1.0
135.11681	1.1
137.05963	0.8
137.09618	11.2
137.13210	0.4
138.09923	0.3
139.07608	0.2
141.07022	0.3
143.06993	0.2
143.08557	0.6
145.06471	0.9
145.10143	1.1
147.04414	0.5
147.08025	0.7
147.11723	0.5
149.09610	2.3
149.13249	0.5
150.09132	0.4
151.03809	0.2
151.07545	0.6
151.14793	0.8
153.09062	0.3
153.12753	0.5
155.08553	0.5
157.06416	0.3
157.10164	0.5
159.08029	0.5
159.11696	0.5
160.05235	0.2
161.05975	1.4
161.09598	0.6
163.07562	0.4
163.11168	1.3
163.14816	0.5
165.09114	100.0
166.09421	2.2
167.07080	0.4
169.10152	0.2
171.07997	0.3
172.67896	0.2
173.05971	0.4
173.09605	0.5
175.07513	0.4
175.11156	0.5
175.14828	0.3
177.09096	1.5
179.10687	0.7
181.12230	0.3
183.11723	0.4
185.09625	0.3
185.13181	0.2
187.07555	0.4
187.11205	0.5
189.09128	0.8
189.11188	0.4
189.12741	0.3
190.09886	0.5
191.10681	0.8
193.12241	0.9
195.07919	0.2
197.09602	0.2
201.12624	0.2
203.10683	0.6
203.14400	0.4
205.12253	6.2
211.07332	0.2
211.11212	0.2
211.13148	0.2
213.31673	0.2
217.12285	0.2
219.13838	0.2
222.64030	0.2
227.12704	1.3
227.16246	0.2
229.12204	0.3
231.13734	0.3
243.13913	0.5
247.13211	1.3
253.25430	0.2
259.24268	0.3
271.13196	0.4
273.14774	0.5
277.08762	0.2
277.25214	0.4
278.80054	0.2
289.14392	1.0
299.19449	0.2
303.16104	0.2
308.60379	0.2
319.20715	0.2
323.25769	1.1
345.86661	0.2
347.19925	0.3
355.22638	0.5
365.20807	0.9
383.22153	4.6
397.06973	0.2
401.23126	1.8
402.33344	0.2
403.22415	0.2
411.32632	0.2
415.07788	0.3
421.23749	0.2
429.33652	0.9
431.24146	0.5
439.24750	0.7
439.32147	0.4
443.07593	0.7
457.25882	2.7
457.32361	0.3
458.26514	0.3
475.10040	0.6
475.16595	0.3
475.27127	5.9
475.33969	1.4
476.27307	0.5
492.61874	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.9
55.01864	3.3
55.05515	8.9
57.03434	20.0
57.07072	40.8
59.04995	1.1
61.02924	49.8
65.03922	1.0
66.93834	0.8
67.05499	19.1
69.03429	26.1
69.07062	10.4
71.01345	3.7
71.04974	4.1
71.08241	1.6
71.08627	29.0
71.51086	1.6
73.02511	1.4
73.02914	22.2
75.04465	2.5
79.05493	4.8
81.03416	16.9
81.06596	2.0
81.07053	26.1
81.07531	1.5
82.94830	1.0
83.04967	3.0
83.08157	1.3
83.08614	16.0
85.02900	52.1
85.10181	18.3
87.04478	2.7
91.03951	34.6
91.05465	5.9
93.07040	4.8
95.04972	2.3
95.08602	28.3
97.02886	43.6
97.06507	1.8
97.10168	5.5
99.04434	8.3
99.08030	1.2
99.11729	1.1
101.02377	10.0
103.03947	7.3
105.07018	2.1
107.08576	3.2
109.02864	10.5
109.06519	1.3
109.10149	14.1
111.04462	1.4
111.11723	2.0
113.13294	1.3
115.03895	5.4
117.05489	3.7
117.07016	1.1
119.08554	1.8
121.06505	1.3
121.10138	1.2
123.11686	7.4
125.13262	1.8
127.03899	20.7
129.05466	4.0
133.10095	1.1
137.13191	2.0
145.04976	6.4
146.01295	1.0
147.08012	1.4
147.11697	1.3
149.13263	1.1
151.14835	1.8
159.06497	2.7
161.70877	0.9
164.57042	1.0
183.06522	5.4
201.07556	3.7
212.69841	1.0
214.53868	1.0
217.36555	0.9
219.08327	0.9
239.23682	28.5
252.97504	1.0
257.24734	4.4
313.27350	100.0
314.27713	2.0
341.26804	4.0
345.16168	1.0
355.28427	1.8
367.28415	1.1
383.27838	1.6
454.46060	1.0
457.31436	5.2
475.32706	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	475.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	2.2
55.05494	2.7
57.03439	0.9
65.03953	1.5
67.05499	3.5
69.03445	1.0
69.07056	1.4
71.51580	1.2
71.51979	1.2
74.28474	1.1
79.05495	7.3
81.03419	3.3
81.07061	5.2
83.00162	1.0
83.04985	1.6
83.08629	2.5
85.02891	1.5
91.05476	24.1
93.07053	4.8
94.04185	1.3
94.88652	0.8
95.04957	6.9
95.08617	4.2
97.06548	2.5
97.10168	1.1
103.05455	7.2
105.07017	6.1
107.04948	5.8
107.08617	2.7
109.06552	2.1
109.10149	2.5
115.05452	7.4
117.07031	8.4
119.04936	8.7
119.08581	12.9
120.05688	1.1
121.06520	9.9
121.10139	1.2
122.03645	3.1
123.04478	1.2
123.08088	2.4
125.06007	0.9
125.09676	0.9
128.06212	4.5
129.06998	8.4
131.04936	7.3
131.08553	2.0
132.05702	10.5
133.06516	3.4
135.04430	1.4
135.08083	2.3
135.11703	1.4
136.05159	2.2
137.04918	1.8
137.05971	34.1
137.09651	1.7
139.03979	1.0
139.09558	1.2
141.06979	8.0
142.94162	0.9
145.06480	6.0
145.10139	1.3
147.04411	2.5
147.08054	14.1
148.05162	1.2
149.05972	3.7
149.09644	2.9
151.03932	3.5
151.07532	40.1
153.05522	1.2
155.08537	1.3
157.06508	2.5
159.08018	1.6
160.05203	5.7
161.06003	4.9
161.09746	1.2
162.06752	1.2
163.07536	21.1
163.11191	2.7
165.06992	1.0
165.09146	9.1
167.07094	5.7
167.08392	1.4
169.06487	7.2
171.08092	1.0
173.09602	1.4
174.06728	2.4
175.07542	100.0
176.07860	1.3
177.05559	1.2
177.09106	26.5
181.04939	1.8
183.30721	1.0
187.07538	4.2
189.09053	7.4
191.07016	1.5
191.10600	1.2
195.08008	2.1
201.09135	8.2
203.10693	1.5
205.06590	1.2
209.09702	1.1
219.06293	1.4
219.08174	2.0
221.05943	1.6
222.06769	1.3
223.04506	1.0
223.07430	1.6
225.09099	1.1
227.12817	2.5
249.09073	2.0
253.08583	1.6
255.10176	3.0
263.10739	1.5
265.08597	5.1
267.10068	1.3
271.05936	10.5
272.06329	1.6
279.10107	3.8
281.08243	1.5
281.11584	1.5
283.09390	1.2
285.11292	2.4
287.12811	12.2
291.10202	1.9
294.09039	1.0
295.09866	1.4
297.11261	2.4
299.12897	1.3
307.09912	1.3
307.13309	1.8
309.11053	2.3
311.12808	7.2
313.10852	1.9
313.14261	10.4
319.13232	1.5
321.10928	1.4
323.12750	1.1
346.13388	1.1
351.15927	3.5
365.21075	1.1
383.22110	3.5
401.23657	1.5
443.18506	2.0
457.16391	1.4
457.25870	3.0
475.15219	1.9
475.20853	7.6
475.27191	4.2
485.69949	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.3789
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61295	0.6
55.05480	2.5
56.06978	0.6
57.03439	5.5
57.07071	8.9
58.06597	37.8
59.04977	0.7
59.07382	9.9
60.08166	11.1
67.05495	3.2
69.07037	1.1
69.78637	3.4
71.08633	4.9
73.02897	0.7
75.04449	3.0
79.05460	2.3
81.03394	0.7
81.07040	3.8
83.08597	1.4
83.62208	0.6
84.08118	1.2
85.02877	2.3
85.10153	1.6
87.04481	3.4
91.05465	1.7
93.07018	2.2
95.08578	2.9
97.10148	0.9
99.01640	0.8
100.11220	1.0
103.03881	0.7
105.07051	1.1
107.08596	0.8
109.10130	1.8
113.06004	1.2
119.08558	0.7
131.07047	1.7
133.10063	1.0
144.10194	9.4
145.10023	0.6
162.11208	1.5
184.07370	1.0
236.14919	89.5
237.15250	1.8
265.18661	0.7
313.27548	0.9
456.36795	23.6
457.37253	1.3
474.37903	100.0
475.32007	1.7
475.38254	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	475.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	12.6
61.02919	1.1
69.03415	2.5
70.45235	1.7
70.45627	1.6
71.57226	0.8
71.95257	1.3
81.03413	1.2
84.96037	8.1
85.02913	4.8
87.74805	0.7
97.02868	2.8
97.96805	2.8
98.97586	59.6
99.04510	0.8
106.42085	0.8
109.02888	0.9
110.56353	0.9
110.96842	1.5
110.97573	18.6
110.98337	1.3
112.99122	3.9
116.98623	24.1
119.01910	2.0
119.04959	1.2
122.04010	0.8
124.99174	0.9
127.03889	1.5
128.98605	21.2
131.00175	3.9
131.01921	1.3
134.99648	5.8
137.05992	2.4
140.00240	1.4
140.98636	1.1
143.00180	1.9
144.98123	1.5
145.03476	1.1
145.04932	1.6
146.99663	12.2
149.01207	2.9
153.05463	1.3
158.99649	2.8
159.04991	1.2
161.01218	3.6
161.02933	2.2
161.89606	0.8
162.99089	1.7
165.00726	0.9
168.03772	0.9
170.99641	5.5
173.02997	1.9
175.02734	0.8
177.00781	4.0
183.03282	1.0
187.04674	0.8
189.00716	6.2
189.06107	0.9
194.99852	1.1
197.01312	1.0
201.00674	4.5
201.06117	1.1
207.05025	0.9
208.00453	1.8
211.02756	1.4
211.04555	1.2
211.99915	2.3
213.04366	1.7
219.01770	37.7
221.05058	2.8
223.02739	5.0
223.04683	1.2
226.01578	5.7
235.02756	17.5
237.02815	78.8
241.03830	19.1
242.03322	1.5
244.02434	2.0
253.03751	18.7
255.01657	2.2
255.03958	6.7
259.04886	5.4
260.01993	2.3
260.04495	2.4
265.05914	0.9
269.03384	1.3
271.04861	8.6
276.41821	0.9
278.03073	2.0
279.09213	3.2
289.05832	3.5
295.04678	1.3
305.10733	1.0
313.05969	3.0
319.04999	1.9
321.10471	1.2
325.05994	2.0
327.07767	0.9
337.05811	8.9
343.06793	1.3
349.06046	1.3
350.96002	0.9
355.07123	4.3
357.08429	1.9
367.06940	11.2
371.06485	2.3
373.08109	3.6
379.07678	3.2
385.07788	6.6
397.08087	2.4
415.09122	100.0
416.09497	2.8
433.10202	2.0
475.11179	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	474.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43361	0.5
54.59644	0.4
70.74329	0.5
71.50774	0.9
72.83315	0.5
85.02890	0.9
86.09727	1.3
89.83614	0.5
91.05444	0.6
93.06984	0.6
103.05486	0.5
137.02368	1.1
137.05988	0.6
153.01843	1.0
154.08670	1.1
176.07097	0.6
208.05252	0.9
214.15947	0.5
239.03358	0.8
239.07051	1.1
242.05733	0.7
242.08070	0.8
254.05682	1.2
267.06491	1.0
268.07285	1.5
269.06818	1.7
270.05136	0.8
271.05957	5.2
279.06573	1.2
285.07532	13.7
286.04684	5.6
294.07596	1.9
295.05801	12.0
295.08511	2.3
296.06378	0.7
297.06406	4.2
311.08093	0.9
312.08640	100.0
313.09381	3.0
317.26804	0.5
474.13660	2.2
474.23254	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3471
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45769	2.8
55.01859	4.6
55.05505	20.4
57.03415	4.0
57.07061	7.1
67.05507	29.5
69.03418	7.2
69.07069	42.0
71.08614	2.9
71.51641	3.8
79.05498	20.6
81.03398	6.3
81.07054	72.1
83.04964	5.3
83.08611	21.2
83.30307	3.0
85.02899	16.8
85.06535	6.5
86.09692	5.7
91.05470	14.7
93.07054	23.8
95.04965	11.5
95.08606	56.3
95.10007	3.2
97.02870	5.8
97.06516	14.0
97.10156	16.4
99.08064	6.8
103.05460	3.5
105.07027	13.5
107.04967	17.4
107.08609	20.2
109.02851	4.4
109.06503	6.2
109.10145	45.6
111.04435	5.1
111.08088	5.0
111.11694	10.0
113.10341	3.1
115.05438	3.8
117.06978	5.8
119.08562	10.3
121.06476	3.9
121.10139	13.2
123.04440	4.5
123.11674	25.1
125.13258	7.9
127.03908	6.4
127.11221	3.4
129.06993	8.0
131.04895	5.4
131.08556	8.4
133.10135	10.9
135.04375	4.3
135.08054	3.6
135.11688	9.4
137.05937	11.4
137.09613	5.6
137.13263	13.0
145.06447	5.1
145.10144	4.2
147.11726	4.2
149.09645	4.1
149.13254	10.8
151.07593	3.9
151.11206	3.5
151.14789	7.0
159.08044	8.1
161.05916	5.7
163.03940	19.5
163.14821	7.5
165.05423	3.7
165.09088	31.7
166.06369	4.0
167.07024	38.3
175.07533	6.7
181.06403	4.7
184.07312	5.9
187.07545	7.7
193.08582	4.0
197.04218	7.1
198.06720	3.5
205.08629	6.4
205.12227	4.3
207.06485	4.9
209.18987	4.0
215.05270	18.2
215.07004	6.1
217.08572	9.8
219.07994	5.3
231.08022	5.2
235.07567	5.8
236.08232	3.4
239.09036	8.1
240.07823	3.6
241.08560	15.0
247.07426	5.0
249.09052	3.9
255.06577	6.5
259.09589	5.9
261.09045	4.9
263.27292	4.8
266.78961	3.3
269.07959	6.4
275.07175	4.8
275.27322	3.7
281.28384	4.4
281.88965	3.6
285.07553	4.7
286.08380	8.8
291.10025	5.6
293.07950	4.7
293.28189	15.2
295.09625	3.4
299.09003	5.0
300.09946	4.9
301.10779	5.0
307.09540	6.8
309.07596	5.8
309.10989	4.6
311.09100	6.4
315.08350	5.7
319.11996	3.8
321.11096	6.3
322.12427	3.8
323.09097	4.5
329.10214	30.3
335.09229	5.5
337.10602	4.4
339.12225	5.6
351.12299	5.5
366.14706	5.8
367.11725	11.4
369.13202	4.3
371.15118	4.7
381.13156	8.1
382.13995	12.0
399.14456	6.8
400.14847	4.0
402.12967	21.1
403.13239	7.1
415.13553	3.6
441.15396	4.0
455.16745	13.2
473.14032	100.0
473.25235	8.1
474.14514	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	473.3262
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.0
54.83682	0.5
55.01869	0.7
55.05507	9.1
57.03426	1.0
65.03934	0.9
67.05504	8.0
69.03415	1.0
69.07070	3.7
71.51488	1.0
71.51847	0.7
79.05495	5.2
81.03418	3.8
81.07053	6.8
83.08625	1.3
85.06551	0.7
87.09869	0.5
91.05486	4.5
93.07047	3.2
95.04971	2.5
95.08601	4.5
97.06530	1.5
97.10173	17.0
105.07011	3.6
107.04950	2.1
107.08620	2.9
109.06499	0.9
109.10169	6.9
111.08047	0.6
117.07021	1.5
119.08588	4.9
121.10157	1.5
122.07303	1.8
123.08080	0.8
123.11702	1.5
125.09614	4.0
129.06960	0.7
131.04900	0.6
131.08568	1.6
133.10141	1.2
135.11702	0.8
137.05988	1.8
137.09612	12.4
137.13257	0.6
139.11124	1.2
143.08658	0.5
143.10681	7.3
145.06461	1.0
145.10086	1.1
147.08009	1.2
147.11708	1.5
149.02303	0.9
149.09613	4.6
149.13214	0.7
153.09145	0.6
157.10138	1.0
159.11691	0.8
161.05989	0.8
161.09654	0.5
161.13255	0.7
165.09120	100.0
166.09462	2.4
167.07088	1.3
171.11613	1.2
173.06007	1.3
175.11211	1.1
175.14755	0.5
179.10721	0.7
187.07658	1.0
187.14879	0.7
189.09174	1.0
189.11176	1.6
189.12744	1.9
191.10689	0.8
193.12312	0.8
203.10701	3.4
205.12263	1.8
217.04985	2.1
221.08043	0.6
303.23166	1.2
321.24304	2.8
329.13577	1.2
381.20590	1.3
388.72061	0.7
402.13107	0.8
437.30753	0.7
455.24612	1.0
455.31491	1.8
473.16922	0.6
473.24405	0.9
473.29816	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3471
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45769	2.8
55.01859	4.6
55.05505	20.4
57.03415	4.0
57.07061	7.1
67.05507	29.5
69.03418	7.2
69.07069	42.0
71.08614	2.9
71.51641	3.8
79.05498	20.6
81.03398	6.3
81.07054	72.1
83.04964	5.3
83.08611	21.2
83.30307	3.0
85.02899	16.8
85.06535	6.5
86.09692	5.7
91.05470	14.7
93.07054	23.8
95.04965	11.5
95.08606	56.3
95.10007	3.2
97.02870	5.8
97.06516	14.0
97.10156	16.4
99.08064	6.8
103.05460	3.5
105.07027	13.5
107.04967	17.4
107.08609	20.2
109.02851	4.4
109.06503	6.2
109.10145	45.6
111.04435	5.1
111.08088	5.0
111.11694	10.0
113.10341	3.1
115.05438	3.8
117.06978	5.8
119.08562	10.3
121.06476	3.9
121.10139	13.2
123.04440	4.5
123.11674	25.1
125.13258	7.9
127.03908	6.4
127.11221	3.4
129.06993	8.0
131.04895	5.4
131.08556	8.4
133.10135	10.9
135.04375	4.3
135.08054	3.6
135.11688	9.4
137.05937	11.4
137.09613	5.6
137.13263	13.0
145.06447	5.1
145.10144	4.2
147.11726	4.2
149.09645	4.1
149.13254	10.8
151.07593	3.9
151.11206	3.5
151.14789	7.0
159.08044	8.1
161.05916	5.7
163.03940	19.5
163.14821	7.5
165.05423	3.7
165.09088	31.7
166.06369	4.0
167.07024	38.3
175.07533	6.7
181.06403	4.7
184.07312	5.9
187.07545	7.7
193.08582	4.0
197.04218	7.1
198.06720	3.5
205.08629	6.4
205.12227	4.3
207.06485	4.9
209.18987	4.0
215.05270	18.2
215.07004	6.1
217.08572	9.8
219.07994	5.3
231.08022	5.2
235.07567	5.8
236.08232	3.4
239.09036	8.1
240.07823	3.6
241.08560	15.0
247.07426	5.0
249.09052	3.9
255.06577	6.5
259.09589	5.9
261.09045	4.9
263.27292	4.8
266.78961	3.3
269.07959	6.4
275.07175	4.8
275.27322	3.7
281.28384	4.4
281.88965	3.6
285.07553	4.7
286.08380	8.8
291.10025	5.6
293.07950	4.7
293.28189	15.2
295.09625	3.4
299.09003	5.0
300.09946	4.9
301.10779	5.0
307.09540	6.8
309.07596	5.8
309.10989	4.6
311.09100	6.4
315.08350	5.7
319.11996	3.8
321.11096	6.3
322.12427	3.8
323.09097	4.5
329.10214	30.3
335.09229	5.5
337.10602	4.4
339.12225	5.6
351.12299	5.5
366.14706	5.8
367.11725	11.4
369.13202	4.3
371.15118	4.7
381.13156	8.1
382.13995	12.0
399.14456	6.8
400.14847	4.0
402.12967	21.1
403.13239	7.1
415.13553	3.6
441.15396	4.0
455.16745	13.2
473.14032	100.0
473.25235	8.1
474.14514	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	473.311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	3.9
55.01870	6.5
55.05512	38.6
57.03431	23.1
57.07072	19.6
61.02931	69.3
67.05501	20.7
69.03429	29.1
69.07071	44.0
71.01363	3.7
71.04995	3.3
71.08623	12.6
71.52592	5.6
73.02909	23.7
73.91290	2.5
75.95535	3.2
79.05511	14.2
81.03420	27.8
81.07052	17.7
83.04993	3.5
83.08618	42.0
85.02908	58.0
85.10178	5.4
87.04473	3.4
91.03962	33.1
91.05475	7.5
93.07039	11.3
94.54749	2.8
95.04987	17.1
95.08596	14.6
97.02892	51.1
97.06530	3.7
97.10172	35.8
98.98457	4.4
99.04434	11.5
101.02384	12.0
103.03941	9.2
105.07002	3.1
107.08597	10.5
109.02880	9.3
109.10129	9.8
111.11682	13.5
115.03912	6.3
117.07021	4.0
119.08582	6.7
121.10161	14.5
121.40831	2.7
123.11700	4.8
125.09667	2.9
127.03907	31.3
129.05495	7.5
133.10214	3.6
135.11665	8.3
145.04932	9.3
145.10092	4.5
149.13214	4.0
153.12793	3.0
165.12775	14.3
172.85904	3.0
183.06586	6.4
201.07582	3.5
219.21115	5.8
223.13397	4.2
224.38034	2.7
237.22101	24.6
294.21692	3.5
311.25793	100.0
403.00208	3.2
437.22897	4.9
455.23938	4.5
455.30048	4.7
473.25342	9.5
473.31149	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	473.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22234	1.4
51.02403	1.6
52.02680	1.5
53.03951	2.3
55.01873	17.0
55.05512	24.2
55.40546	1.5
57.03441	3.0
57.07067	2.5
60.46902	1.4
60.54781	1.4
67.05504	32.2
69.03414	2.8
69.07060	16.4
69.28699	16.4
71.04992	4.2
71.08616	8.1
79.05490	31.7
80.46860	1.5
81.03418	15.2
81.07056	35.4
83.04977	6.7
83.08611	14.7
85.02906	2.1
85.10147	1.5
91.05478	26.1
92.05836	1.7
93.07043	31.6
95.04967	48.7
95.08608	21.4
97.06526	14.3
97.10143	4.1
98.20806	2.9
99.08086	4.2
105.07024	20.4
107.04953	10.4
107.08601	16.1
109.06528	7.6
109.10142	9.6
111.04462	1.7
111.08074	8.0
113.09663	1.5
115.05463	2.0
117.07036	7.3
119.08585	15.4
121.06524	5.2
121.10139	11.8
123.08058	6.7
123.11763	2.5
125.09663	5.4
129.07013	6.0
131.04994	1.8
131.08549	10.2
133.02882	2.7
133.06453	1.9
133.10117	8.0
135.04420	1.8
135.08080	4.5
135.11708	9.3
137.09590	2.0
141.06964	3.3
145.02809	1.9
145.06500	1.9
145.10118	11.2
147.04442	2.3
147.07951	2.5
147.11708	9.5
149.02362	1.6
149.06015	2.8
149.09604	14.5
151.11215	6.2
152.01529	1.7
155.08606	1.7
157.06520	2.1
157.10115	2.2
159.04391	6.0
159.11719	6.8
161.02293	3.1
161.09624	2.2
161.13214	3.9
163.03912	22.4
163.11189	16.1
165.09154	5.6
165.12775	10.1
169.06540	2.0
169.10175	1.8
171.11713	3.0
171.47455	1.6
173.02322	13.7
173.05983	4.8
173.13239	2.0
175.11258	1.6
177.12732	4.4
181.06520	3.2
183.04431	6.3
185.05951	3.5
187.03955	8.4
187.11209	1.9
191.14333	2.1
193.12303	3.7
199.03899	19.2
201.05524	2.7
205.12260	3.6
207.13792	2.5
213.05482	14.3
219.13803	1.9
223.13289	14.3
229.19414	2.3
237.14885	2.4
247.20613	3.1
257.18979	3.7
267.13828	6.2
275.20016	24.9
277.21683	2.2
293.21103	100.0
294.21622	8.0
295.13406	1.8
295.22437	2.2
307.13196	2.5
311.12766	9.9
311.16165	1.5
321.14679	2.6
325.14392	5.7
327.15652	1.8
329.13956	2.9
333.24265	3.9
339.16168	2.1
352.53854	1.5
353.14041	1.8
373.21713	2.1
391.22629	1.6
393.24295	6.8
409.17358	2.5
409.23831	1.7
419.22131	11.4
437.23260	10.8
455.24200	6.0
456.24799	1.9
473.14301	4.5
473.29160	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	12.6
55.01634	3.9
55.01873	35.3
55.05513	41.9
57.03433	6.7
57.07069	5.9
65.03937	9.8
67.05503	77.3
69.07057	24.4
69.36650	31.8
71.04988	7.1
71.08616	9.4
73.06552	3.7
79.05491	73.9
81.03417	73.5
81.06602	4.3
81.07056	62.0
83.05000	16.4
83.08210	3.8
83.08620	34.6
85.52075	3.1
89.03964	4.9
91.05475	68.0
93.07040	66.6
95.04964	77.7
95.08599	37.6
96.05260	4.0
97.06525	26.3
97.10158	8.6
99.08099	6.8
105.07028	46.0
107.04944	18.1
107.08583	35.3
109.06528	16.7
109.10158	15.6
111.08062	18.2
115.05440	4.9
117.07020	21.1
119.04868	3.1
119.08576	30.4
121.02879	3.4
121.06497	9.9
121.10130	29.5
123.08040	9.3
123.11681	4.1
125.09606	12.8
129.07007	18.3
131.08569	19.5
133.02809	5.5
133.06458	4.9
133.10153	19.7
135.08012	4.4
135.11725	16.5
137.09612	10.8
139.11227	4.0
141.06975	5.3
142.07841	3.8
143.08546	9.9
145.02762	4.1
145.06482	4.8
145.10129	23.8
147.08029	8.9
147.11685	24.3
149.02338	26.2
149.09584	17.2
149.13263	4.2
149.82845	3.4
151.11139	5.7
153.07021	4.8
155.08669	4.9
157.06427	4.5
157.10045	4.8
159.04398	12.2
159.08099	3.7
159.11708	5.8
161.02356	6.0
161.09579	7.6
161.13281	8.2
163.03905	35.7
163.11180	27.4
164.11810	3.1
165.09105	7.5
165.12753	11.3
171.11667	12.8
173.02350	23.4
173.05959	8.2
173.13116	3.9
175.11206	8.0
177.12694	7.7
183.04446	13.2
185.05876	8.6
187.03893	15.5
187.07629	4.4
187.11169	3.6
189.05496	5.4
189.11212	5.6
189.12723	4.7
193.04976	10.8
193.12164	15.6
199.03915	55.2
201.05441	7.6
201.36986	3.4
205.12285	6.9
207.13768	10.3
209.05894	4.0
213.05447	22.5
223.13251	13.7
229.19518	4.2
231.03990	3.4
257.18973	5.1
275.20135	33.4
283.13400	5.0
293.21109	100.0
294.21729	15.6
311.12689	15.6
315.12201	4.0
325.14264	6.8
329.13947	5.2
353.13641	4.6
393.24255	7.7
409.17596	5.2
409.23386	4.7
419.22147	38.7
437.23306	30.9
455.24231	10.0
469.41074	4.2
473.14578	26.4
473.29050	30.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.5
55.01866	2.7
55.05512	3.2
57.03427	2.6
62.38744	1.9
64.34856	2.2
65.03938	3.4
67.05496	7.6
69.03416	14.2
69.07056	3.4
70.06584	3.9
71.04983	2.0
71.51199	3.0
76.79681	2.1
79.05491	25.8
81.03411	18.9
81.07060	5.0
84.04542	1.9
85.02914	10.0
86.09724	4.0
89.03928	10.3
89.46834	2.2
91.05473	21.9
93.07041	82.1
95.04974	11.4
95.08607	5.0
97.02882	8.4
97.06553	2.5
98.76572	2.1
99.04433	4.5
103.05459	5.8
105.07031	14.3
107.04964	6.7
107.08593	24.0
109.02869	6.2
109.06506	4.0
109.10136	8.8
117.03378	8.3
117.06976	2.9
119.04967	2.6
119.08565	25.7
121.06498	15.7
121.10130	100.0
123.04420	5.0
123.08056	7.7
127.03915	7.7
129.06987	4.9
131.04922	3.6
131.08556	9.5
133.06351	2.0
135.04396	23.4
135.08044	9.1
137.05951	6.6
137.09579	5.9
139.11247	2.4
145.02834	17.5
145.04985	2.4
145.06435	2.3
147.04391	8.9
147.08080	2.9
149.06059	2.4
149.09605	49.1
151.07578	2.4
155.08658	2.4
161.06001	5.1
163.03899	99.4
163.07533	10.9
165.05484	7.4
165.09134	4.0
167.07112	4.4
167.10677	9.3
173.05989	7.2
175.03899	67.1
175.07434	3.0
177.05516	4.2
181.06433	2.5
187.07503	8.2
189.05458	7.2
189.09119	2.2
195.08138	3.4
197.05988	4.0
199.07591	4.1
201.09070	3.3
207.13602	2.0
209.09651	2.5
211.07530	3.0
213.09019	4.8
215.07071	10.8
219.27716	2.2
223.07616	2.5
227.07028	3.5
227.10661	3.4
228.07487	2.1
229.08604	9.1
232.08727	3.2
241.08537	4.0
241.12238	2.7
247.11205	6.2
250.09981	4.1
251.10693	3.5
255.06625	2.6
255.10132	6.2
255.13664	3.6
263.06955	2.5
265.12177	8.7
269.07953	3.5
269.11722	3.7
271.06030	5.4
272.06412	4.8
275.10703	5.7
278.09338	3.3
283.13202	18.5
293.11487	6.4
293.13913	8.4
297.07593	2.1
311.12778	15.2
312.08636	4.4
455.16891	5.4
473.17761	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	1.9
51.23721	1.3
53.03936	4.9
55.05511	3.2
57.03432	4.4
66.49595	1.5
67.05502	4.7
69.03421	13.0
70.06587	2.3
71.04997	1.6
71.51845	2.9
79.05493	22.9
81.03416	19.7
81.07043	7.1
85.02904	11.6
86.09711	3.0
89.03918	9.1
91.05477	20.7
92.05799	1.5
93.07043	75.3
95.04980	6.9
95.08607	5.4
97.02924	8.0
99.04472	2.9
103.05472	4.2
105.07025	15.6
107.04977	5.9
107.08591	24.2
109.02872	6.8
109.06494	3.8
109.10141	5.8
111.08093	2.6
115.05468	2.5
117.03389	8.3
117.07015	2.5
119.04958	3.8
119.08568	22.6
121.06522	13.9
121.10142	93.1
123.04428	4.9
123.08064	6.8
127.03941	7.3
131.04933	3.6
131.08589	4.6
133.06499	1.6
133.07594	2.3
133.10126	1.9
135.04402	19.5
135.08070	4.7
137.02318	2.2
137.06004	4.5
137.09596	3.0
145.02846	11.5
145.04976	2.9
145.06519	2.0
147.04431	13.4
147.08046	3.1
149.05933	1.8
149.09621	45.2
150.09920	1.6
151.07565	1.8
161.05998	4.5
163.03903	100.0
163.07487	9.3
165.05519	6.0
165.06868	1.7
165.09105	3.8
167.07021	4.3
167.10634	9.2
171.08037	2.0
173.06007	5.7
173.09492	1.6
175.03905	60.1
175.07475	3.4
177.05580	3.6
181.06494	2.3
183.08138	2.2
187.07573	6.1
188.08214	1.7
189.05487	6.9
189.09041	2.5
195.08057	2.8
197.05928	3.1
199.07520	2.0
201.05389	1.6
201.09082	2.1
203.07010	2.9
211.07599	3.1
213.05472	2.0
215.03471	1.9
215.07014	8.8
216.07776	1.6
217.04784	1.6
219.08044	1.6
219.11705	3.0
225.09126	2.1
227.07042	6.2
227.10699	1.9
227.89235	1.4
229.08578	9.5
232.08850	2.1
235.07541	2.0
237.09210	2.8
237.88815	1.6
241.08588	3.5
241.12296	2.4
243.06537	1.8
247.11227	3.8
249.09177	3.1
250.09964	2.4
251.10423	1.8
253.08588	3.5
255.06541	1.9
255.10266	5.8
255.13853	2.3
265.08591	1.9
265.12262	11.8
269.11865	3.3
275.10724	3.4
278.09299	2.2
283.13312	20.2
285.14801	1.8
293.11624	5.8
293.13907	6.0
311.05289	1.8
311.12213	16.4
323.08942	1.7
329.10159	2.5
329.13788	2.8
353.13831	2.0
371.14920	1.7
399.14438	2.1
402.13208	2.7
411.24051	1.5
455.16910	5.8
473.17276	13.3
473.23099	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	473.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66375	2.3
53.03950	4.0
55.01863	6.7
55.05525	13.7
57.07077	4.8
65.03950	2.9
67.05505	21.5
67.78870	2.9
69.03449	6.1
69.07065	26.2
71.04995	2.7
71.51471	2.9
73.02879	3.3
77.62857	2.9
78.04699	3.9
79.05494	22.1
81.03410	8.0
81.06660	3.3
81.07063	36.9
83.04965	5.1
83.08602	10.4
85.02896	12.1
85.06557	3.6
86.09688	4.1
91.05489	13.0
93.07038	13.4
95.04981	7.1
95.08611	30.8
97.06553	3.4
97.10157	7.6
103.05454	4.2
105.07016	10.8
106.95141	2.6
107.04968	32.7
107.08580	13.4
109.06501	7.2
109.10153	24.4
111.08125	4.1
111.11701	7.9
112.50433	3.0
114.46752	2.5
115.05442	6.1
117.07005	5.0
119.08559	7.8
120.71513	2.8
121.06507	4.5
121.10121	4.9
123.04410	10.6
123.11711	10.4
124.05217	5.4
125.13213	3.4
128.06261	3.8
129.06987	7.4
131.04900	2.9
131.08545	9.7
132.05731	3.1
133.02794	4.1
133.10117	7.0
135.04434	5.1
135.08014	3.7
135.11665	6.1
137.05969	12.1
137.09605	6.3
137.13234	6.6
142.07782	4.3
143.08630	3.1
144.05661	7.9
145.02855	3.1
145.06451	10.2
145.10138	4.1
147.04395	6.9
147.08073	3.2
147.11664	4.5
149.13228	7.0
151.03949	2.9
151.07562	9.9
151.14899	3.7
152.04803	2.8
153.05434	6.3
153.06929	3.0
157.06483	5.6
157.10127	3.8
159.08035	11.4
161.05983	6.4
163.03926	11.7
165.05531	6.2
165.09111	24.2
165.16379	3.3
166.06223	9.2
167.04832	4.0
167.07039	100.0
168.05611	2.9
169.06444	3.4
171.08034	4.5
173.06010	5.1
173.09566	3.3
175.07556	5.5
177.05533	5.3
178.07745	3.0
179.06981	4.7
179.08426	3.2
181.04996	5.7
181.06477	5.3
181.08496	5.0
183.08087	3.4
184.05197	3.5
185.05803	3.2
186.06770	3.3
187.07515	9.9
188.08304	4.2
189.05409	3.5
189.09082	6.7
191.06969	9.1
191.08546	4.9
192.07814	3.7
193.08743	4.4
195.06462	6.8
195.08058	2.9
197.04178	3.8
197.05876	4.0
198.06741	9.4
199.07588	5.8
201.05426	7.4
201.09000	3.8
201.16470	2.6
202.09947	2.7
203.06940	4.0
203.08636	4.3
203.10431	4.2
204.07808	4.1
205.06682	4.8
205.08467	14.5
205.12231	4.9
207.06473	6.8
207.08202	6.3
208.05136	4.9
209.08073	6.7
210.06743	6.5
211.07509	3.1
213.08919	3.8
215.05251	9.5
215.07086	8.1
216.07796	5.5
217.05043	3.4
217.08580	24.4
218.07224	4.7
219.08095	6.2
221.06070	4.0
221.07997	4.9
225.05568	3.4
225.09027	2.8
226.06224	10.5
227.07065	4.3
228.07777	6.1
231.08232	3.4
232.08804	3.3
233.09650	5.1
234.06783	7.8
235.07477	9.8
236.08202	7.6
237.09067	2.9
238.06157	4.0
239.06949	7.6
239.09126	22.7
240.07793	5.3
241.08612	40.2
243.06433	4.1
245.09720	3.7
246.06786	4.6
247.07472	9.2
247.09706	3.9
248.08342	9.8
249.05420	3.9
249.09068	8.9
250.06206	4.5
250.09801	3.7
251.07047	3.6
252.07846	4.1
253.08644	8.0
254.05688	5.2
255.06450	4.7
255.10258	4.3
257.08057	6.7
259.07397	5.5
259.09830	6.4
260.08322	3.9
261.09152	10.1
262.06299	4.3
263.07019	8.3
264.07864	8.1
265.08539	5.9
268.07245	3.5
268.10712	3.6
269.08066	18.3
270.08795	3.0
271.05917	20.3
275.07056	5.8
275.10562	5.4
276.07800	8.8
277.08490	11.2
277.10980	7.1
278.09274	7.2
279.06296	3.6
279.10037	8.0
280.07434	4.9
281.08105	12.8
281.11893	4.3
283.05984	4.9
283.09454	4.8
285.07629	14.9
286.05344	4.5
286.08295	20.4
289.08057	4.7
289.10974	13.0
290.09369	4.2
291.06506	7.1
291.09979	6.6
292.07291	4.4
293.08109	7.9
293.11615	4.7
293.28336	6.6
294.08618	4.2
295.09781	6.7
296.10165	3.6
297.07559	5.9
298.08209	3.7
299.09055	18.5
300.09802	5.9
301.10928	12.8
305.08035	9.2
306.08829	8.0
307.09619	18.1
309.07614	7.2
311.09100	8.4
311.12646	4.9
314.07864	5.0
314.11407	6.8
315.08536	12.7
317.08020	3.2
318.08914	3.4
319.11871	10.0
321.07678	5.3
321.11169	11.3
322.11865	4.3
323.09076	10.0
323.12863	6.8
324.09924	10.8
325.10831	3.6
327.08743	7.7
329.10187	85.5
330.10632	8.4
333.11316	6.4
335.09061	9.5
335.12689	5.8
337.10822	16.9
338.11404	6.6
339.12195	16.0
341.10107	4.2
342.10916	3.7
349.10706	13.4
350.11508	11.9
351.12198	11.9
353.13882	4.6
354.14856	7.4
355.11761	4.2
364.12985	6.1
365.13687	4.5
366.14560	7.4
367.11835	15.7
369.13431	27.2
371.14978	9.4
381.13257	18.3
382.14011	30.6
383.14374	4.2
399.14334	20.6
400.15070	5.0
402.13095	51.2
403.13818	12.3
413.16025	4.0
415.13977	14.5
423.14233	8.3
424.15112	6.0
425.15848	4.4
441.14993	4.8
455.17355	41.2
473.13422	44.9
473.25500	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	473.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66375	2.3
53.03950	4.0
55.01863	6.7
55.05525	13.7
57.07077	4.8
65.03950	2.9
67.05505	21.5
67.78870	2.9
69.03449	6.1
69.07065	26.2
71.04995	2.7
71.51471	2.9
73.02879	3.3
77.62857	2.9
78.04699	3.9
79.05494	22.1
81.03410	8.0
81.06660	3.3
81.07063	36.9
83.04965	5.1
83.08602	10.4
85.02896	12.1
85.06557	3.6
86.09688	4.1
91.05489	13.0
93.07038	13.4
95.04981	7.1
95.08611	30.8
97.06553	3.4
97.10157	7.6
103.05454	4.2
105.07016	10.8
106.95141	2.6
107.04968	32.7
107.08580	13.4
109.06501	7.2
109.10153	24.4
111.08125	4.1
111.11701	7.9
112.50433	3.0
114.46752	2.5
115.05442	6.1
117.07005	5.0
119.08559	7.8
120.71513	2.8
121.06507	4.5
121.10121	4.9
123.04410	10.6
123.11711	10.4
124.05217	5.4
125.13213	3.4
128.06261	3.8
129.06987	7.4
131.04900	2.9
131.08545	9.7
132.05731	3.1
133.02794	4.1
133.10117	7.0
135.04434	5.1
135.08014	3.7
135.11665	6.1
137.05969	12.1
137.09605	6.3
137.13234	6.6
142.07782	4.3
143.08630	3.1
144.05661	7.9
145.02855	3.1
145.06451	10.2
145.10138	4.1
147.04395	6.9
147.08073	3.2
147.11664	4.5
149.13228	7.0
151.03949	2.9
151.07562	9.9
151.14899	3.7
152.04803	2.8
153.05434	6.3
153.06929	3.0
157.06483	5.6
157.10127	3.8
159.08035	11.4
161.05983	6.4
163.03926	11.7
165.05531	6.2
165.09111	24.2
165.16379	3.3
166.06223	9.2
167.04832	4.0
167.07039	100.0
168.05611	2.9
169.06444	3.4
171.08034	4.5
173.06010	5.1
173.09566	3.3
175.07556	5.5
177.05533	5.3
178.07745	3.0
179.06981	4.7
179.08426	3.2
181.04996	5.7
181.06477	5.3
181.08496	5.0
183.08087	3.4
184.05197	3.5
185.05803	3.2
186.06770	3.3
187.07515	9.9
188.08304	4.2
189.05409	3.5
189.09082	6.7
191.06969	9.1
191.08546	4.9
192.07814	3.7
193.08743	4.4
195.06462	6.8
195.08058	2.9
197.04178	3.8
197.05876	4.0
198.06741	9.4
199.07588	5.8
201.05426	7.4
201.09000	3.8
201.16470	2.6
202.09947	2.7
203.06940	4.0
203.08636	4.3
203.10431	4.2
204.07808	4.1
205.06682	4.8
205.08467	14.5
205.12231	4.9
207.06473	6.8
207.08202	6.3
208.05136	4.9
209.08073	6.7
210.06743	6.5
211.07509	3.1
213.08919	3.8
215.05251	9.5
215.07086	8.1
216.07796	5.5
217.05043	3.4
217.08580	24.4
218.07224	4.7
219.08095	6.2
221.06070	4.0
221.07997	4.9
225.05568	3.4
225.09027	2.8
226.06224	10.5
227.07065	4.3
228.07777	6.1
231.08232	3.4
232.08804	3.3
233.09650	5.1
234.06783	7.8
235.07477	9.8
236.08202	7.6
237.09067	2.9
238.06157	4.0
239.06949	7.6
239.09126	22.7
240.07793	5.3
241.08612	40.2
243.06433	4.1
245.09720	3.7
246.06786	4.6
247.07472	9.2
247.09706	3.9
248.08342	9.8
249.05420	3.9
249.09068	8.9
250.06206	4.5
250.09801	3.7
251.07047	3.6
252.07846	4.1
253.08644	8.0
254.05688	5.2
255.06450	4.7
255.10258	4.3
257.08057	6.7
259.07397	5.5
259.09830	6.4
260.08322	3.9
261.09152	10.1
262.06299	4.3
263.07019	8.3
264.07864	8.1
265.08539	5.9
268.07245	3.5
268.10712	3.6
269.08066	18.3
270.08795	3.0
271.05917	20.3
275.07056	5.8
275.10562	5.4
276.07800	8.8
277.08490	11.2
277.10980	7.1
278.09274	7.2
279.06296	3.6
279.10037	8.0
280.07434	4.9
281.08105	12.8
281.11893	4.3
283.05984	4.9
283.09454	4.8
285.07629	14.9
286.05344	4.5
286.08295	20.4
289.08057	4.7
289.10974	13.0
290.09369	4.2
291.06506	7.1
291.09979	6.6
292.07291	4.4
293.08109	7.9
293.11615	4.7
293.28336	6.6
294.08618	4.2
295.09781	6.7
296.10165	3.6
297.07559	5.9
298.08209	3.7
299.09055	18.5
300.09802	5.9
301.10928	12.8
305.08035	9.2
306.08829	8.0
307.09619	18.1
309.07614	7.2
311.09100	8.4
311.12646	4.9
314.07864	5.0
314.11407	6.8
315.08536	12.7
317.08020	3.2
318.08914	3.4
319.11871	10.0
321.07678	5.3
321.11169	11.3
322.11865	4.3
323.09076	10.0
323.12863	6.8
324.09924	10.8
325.10831	3.6
327.08743	7.7
329.10187	85.5
330.10632	8.4
333.11316	6.4
335.09061	9.5
335.12689	5.8
337.10822	16.9
338.11404	6.6
339.12195	16.0
341.10107	4.2
342.10916	3.7
349.10706	13.4
350.11508	11.9
351.12198	11.9
353.13882	4.6
354.14856	7.4
355.11761	4.2
364.12985	6.1
365.13687	4.5
366.14560	7.4
367.11835	15.7
369.13431	27.2
371.14978	9.4
381.13257	18.3
382.14011	30.6
383.14374	4.2
399.14334	20.6
400.15070	5.0
402.13095	51.2
403.13818	12.3
413.16025	4.0
415.13977	14.5
423.14233	8.3
424.15112	6.0
425.15848	4.4
441.14993	4.8
455.17355	41.2
473.13422	44.9
473.25500	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	473.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.0
57.03440	14.2
58.43704	0.8
61.02919	3.5
68.54213	0.8
69.03439	4.4
71.01369	1.2
73.02918	29.3
73.03323	1.8
79.05506	1.9
81.07035	1.4
85.02907	3.2
91.05476	2.3
94.04192	3.6
95.04949	0.9
97.02903	3.1
97.06489	0.8
103.05484	2.9
105.07032	3.2
107.04978	1.5
109.06506	3.6
115.03935	4.0
115.05453	2.9
117.07002	1.1
119.08583	2.3
121.06577	0.9
122.03645	7.7
128.06241	1.8
129.07019	1.5
131.04932	4.6
132.05698	0.9
133.06502	1.8
137.05981	100.0
138.06339	1.5
141.07005	1.3
146.03645	1.1
147.08043	2.9
149.05981	1.4
159.08066	2.2
160.05241	0.8
161.05995	10.4
163.07539	5.9
169.06555	1.6
175.07552	31.7
184.05289	1.3
187.07509	5.3
188.66541	0.9
189.07166	1.0
189.09128	1.0
190.07771	1.2
191.08531	4.1
191.98712	0.8
199.07545	18.5
201.09198	1.3
202.07849	3.3
203.08574	7.1
204.64819	0.8
218.07343	1.3
219.08066	6.5
220.08812	2.2
222.06828	0.9
231.08063	8.5
232.08902	1.7
234.98201	0.8
235.07565	1.0
236.08116	1.1
247.07559	4.4
248.08311	2.8
249.08977	1.3
251.10680	7.5
259.07526	6.4
260.08325	2.3
261.09158	1.4
263.07825	0.8
263.10675	4.9
264.07932	0.8
276.07852	3.3
277.08633	3.1
279.10178	5.1
280.10907	1.1
291.10156	9.9
292.11026	4.8
293.08286	1.3
293.11578	1.1
295.13342	2.3
308.10257	1.3
309.74814	0.8
311.05426	2.2
311.12796	15.9
323.12750	16.7
325.14401	1.4
333.11197	0.9
335.12625	1.1
368.21964	0.8
400.55005	0.8
473.19318	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	2.2
57.03428	13.8
67.05518	2.6
69.03419	7.1
69.07047	2.2
70.55891	3.7
70.56291	4.5
73.02908	26.4
77.75782	1.9
79.05509	3.4
81.07040	4.4
85.02902	3.5
86.09681	4.9
91.05458	5.1
93.49516	1.9
93.69718	1.9
94.04198	3.1
95.04900	2.9
97.02883	3.8
103.05443	2.5
105.06993	5.7
107.04923	2.4
109.06490	5.3
109.10080	2.2
115.05410	2.4
117.07051	2.3
119.08510	3.5
122.03629	5.1
129.06970	3.4
131.04922	3.8
131.08612	2.3
133.06458	2.4
137.05968	100.0
137.09627	3.1
147.08012	3.6
149.05989	2.5
161.05925	12.0
163.07581	5.3
165.09099	3.4
167.07072	3.0
173.09575	2.8
175.07527	30.3
176.98215	2.2
187.07547	6.4
191.08577	3.9
197.13284	2.7
199.07494	16.7
202.07809	5.2
203.08527	8.9
215.07019	2.7
219.08003	5.3
220.08791	2.8
231.08080	7.6
248.08353	2.6
251.10605	7.5
259.07489	4.3
261.09152	2.7
263.10764	3.2
272.53937	2.5
276.07635	2.5
277.08560	5.2
279.10165	6.5
291.10129	9.9
292.10928	4.6
296.10019	2.3
311.09756	2.6
311.12732	15.5
323.12750	16.5
473.14114	6.5
473.27219	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	471.3468
Annotation	Lantic acid
Peak:m/z	Relative Intensity
55.05506	3.3
56.46923	0.9
67.05508	5.2
69.07063	4.6
71.51408	1.2
79.05477	3.0
81.07050	6.0
83.04974	2.9
83.08582	1.8
89.90558	0.9
91.05492	3.2
93.07048	6.2
95.04924	1.7
95.08615	10.4
97.10172	1.4
98.36774	0.9
105.07040	7.1
107.08585	8.8
109.06496	1.2
109.10149	4.0
111.08077	1.1
117.07038	1.2
119.08578	10.4
121.10114	6.5
123.08066	1.1
123.11696	2.0
131.08563	2.2
133.10155	6.9
135.11646	6.1
143.08595	3.1
144.67223	0.9
145.10124	3.9
147.08041	1.4
147.11676	4.3
149.09604	1.2
149.13287	2.3
155.08562	2.2
157.10112	3.0
159.11703	2.2
161.09633	3.4
161.13255	2.5
163.11200	1.1
171.11676	2.5
173.13295	3.9
175.11150	1.9
175.14847	6.0
177.16367	1.9
183.11746	1.7
187.14873	2.8
189.16360	11.4
191.17879	2.6
197.13200	1.7
199.14822	3.3
201.16296	1.2
207.17424	1.3
213.16484	1.6
215.14351	1.9
217.15967	5.5
221.15381	1.0
227.17912	1.3
235.16881	6.1
253.19542	2.1
257.18954	1.5
271.20645	3.5
298.92877	1.1
407.33289	2.1
425.34131	7.3
471.34735	100.0
472.35193	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	472.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.1
55.01862	3.5
56.96552	5.6
57.03435	4.5
61.02912	5.2
69.03433	23.7
70.06581	3.0
71.04974	3.3
71.51203	2.0
71.51556	1.9
73.02906	4.5
78.60602	1.6
79.05481	3.4
80.05007	4.6
80.82830	1.5
81.03419	11.7
82.06580	8.9
84.96053	1.9
85.02911	35.7
85.67984	1.9
87.04472	3.9
88.62593	1.8
91.05479	3.6
94.06590	2.7
95.04947	2.7
97.02906	18.2
98.97582	5.3
105.07018	5.3
107.04938	5.8
109.02888	4.4
109.05227	2.3
110.06014	2.3
116.98624	4.5
117.07021	2.0
120.08105	5.9
122.05952	2.2
123.04434	2.7
124.07570	2.9
126.05505	6.0
127.03897	11.4
128.06265	2.1
128.98543	2.0
129.06963	5.2
132.08063	6.3
134.06027	13.9
134.09676	4.6
135.04437	3.6
136.07596	12.3
145.04977	3.0
146.06059	2.5
146.09717	3.0
146.99623	2.5
147.08035	3.0
148.07585	1.9
150.05482	2.3
151.03932	7.4
152.07111	2.5
154.04945	2.0
155.00122	2.8
158.09654	5.1
159.08026	2.3
160.07574	6.5
161.02936	2.5
161.06102	2.1
162.05505	37.5
162.09149	20.6
163.03967	3.1
163.06273	4.4
164.06990	2.6
165.05479	14.2
166.08635	7.4
168.08080	2.9
175.07564	2.6
176.07039	2.9
176.10699	2.6
177.00754	2.3
177.05524	2.9
178.04959	3.7
178.08632	6.6
180.06581	34.5
183.05052	2.7
185.05945	4.6
186.09148	9.0
187.07471	2.3
188.10693	5.5
190.04942	4.2
190.08653	23.9
191.05794	2.4
192.10143	2.9
194.08102	16.5
197.04395	2.7
203.07027	3.2
204.10179	13.7
206.08075	4.3
208.06064	21.6
208.09746	2.8
212.09247	5.6
214.08600	13.7
215.07170	1.9
216.10179	3.3
216.31218	1.8
218.11902	2.8
227.05089	2.2
232.09720	34.8
237.02815	5.2
238.07109	2.4
240.08655	5.2
242.08263	2.7
246.11223	2.8
250.10742	5.6
260.09198	13.9
264.12350	27.2
269.03442	3.2
278.07480	2.6
278.10260	25.8
279.07529	3.1
287.04309	7.2
292.11786	33.0
310.12863	100.0
311.04456	11.4
311.13263	2.5
329.04993	4.7
347.09018	2.6
352.13791	2.3
370.75342	2.3
440.15475	2.1
454.17258	2.5
472.18274	54.5
473.12686	34.7
473.18915	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	471.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.1
55.01854	3.1
55.05275	1.6
55.05512	22.8
57.03443	1.4
57.12995	1.1
63.02412	1.3
65.03946	1.4
67.05508	12.9
69.03423	1.6
69.07053	6.9
71.05008	1.2
79.05493	15.9
81.03434	5.7
81.07059	16.1
82.04237	1.2
83.04980	4.1
83.08611	7.9
85.02914	4.2
85.06538	1.4
91.05492	15.0
93.07030	13.6
95.04965	100.0
95.08610	10.6
97.06516	2.8
97.10181	9.1
101.84365	1.1
105.03384	1.8
105.07030	10.4
107.04981	7.0
107.08593	6.2
109.06510	5.7
109.10148	2.5
111.04466	1.3
117.03419	1.5
117.07021	7.8
119.04893	1.8
119.08569	10.0
121.06493	9.2
121.10149	6.7
123.04430	2.5
123.08057	6.1
125.09634	5.1
128.06308	1.4
129.07010	4.3
131.04924	2.5
131.08598	5.9
133.02840	4.3
133.06479	2.4
133.10135	4.1
135.08066	3.2
135.11702	5.4
143.08522	2.1
144.09276	1.2
145.06488	1.9
145.10138	9.9
147.04434	2.2
147.08040	8.7
147.11737	1.8
149.09615	5.3
151.03946	1.6
153.09151	1.4
157.06465	3.0
157.10126	1.6
159.04469	2.4
159.11743	3.8
161.02396	1.4
161.09628	4.0
162.10394	3.4
163.03922	5.0
163.11182	27.2
165.09137	2.6
167.08524	1.5
169.10143	1.6
171.04468	2.3
171.08170	1.3
173.02339	2.1
175.03859	1.4
175.11179	1.7
176.12070	1.5
177.05449	5.8
177.12724	3.0
179.03372	8.5
181.06454	1.7
185.06059	3.9
185.13460	1.2
187.03893	2.4
187.11234	4.0
189.11215	4.6
189.12732	1.2
191.03429	9.0
197.05988	1.4
199.03902	1.3
201.05547	1.4
205.05087	1.1
205.12262	6.3
211.03874	1.8
213.05479	7.5
213.12807	1.3
215.03491	1.8
217.05000	3.0
222.12483	2.6
223.13292	65.1
225.05527	2.2
225.46182	1.2
227.07079	1.8
229.60667	1.3
231.06561	3.2
231.13873	1.6
239.03345	2.3
243.06589	1.2
249.12685	1.2
249.14847	5.4
255.06532	3.0
257.04425	8.8
259.05939	1.7
263.16519	5.9
267.06412	1.5
273.07681	3.2
273.18652	3.1
274.19183	1.5
275.20145	3.5
283.13321	2.0
291.19458	7.2
292.20386	4.7
292.85779	1.1
293.21094	2.7
307.15823	1.1
331.11392	1.0
337.14337	3.0
365.13922	5.0
383.14877	19.7
384.15695	1.2
401.15915	61.5
435.21680	15.0
445.01935	1.1
453.22733	19.0
471.23834	64.2
472.24194	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.6
55.01874	4.8
55.05511	17.7
62.43879	0.7
65.03916	1.1
67.05502	11.0
68.99785	1.8
69.03424	1.6
69.07072	7.3
69.66654	0.7
69.88603	4.6
71.04961	1.4
73.14420	0.8
79.05492	14.0
81.03429	2.8
81.07059	17.6
83.05002	4.1
83.08616	8.2
85.02898	3.1
85.06544	1.6
89.03939	1.1
91.05481	13.0
93.07034	10.4
95.04967	100.0
95.08595	9.6
96.05279	1.4
97.06529	1.5
97.10166	8.6
98.20860	1.7
103.05476	1.5
105.03399	0.9
105.07047	7.5
106.24482	0.8
107.04940	6.2
107.08587	8.6
108.05719	2.4
109.06517	5.6
109.10156	2.3
111.04456	1.2
111.08069	1.9
115.05448	2.5
117.03450	1.3
117.07015	6.6
119.04942	2.4
119.08577	8.4
121.06510	10.8
121.10134	5.4
123.04414	2.0
123.08077	6.3
125.09622	3.4
128.06273	1.7
129.06984	4.7
129.48827	0.8
131.04961	1.7
131.08548	4.5
131.58418	0.8
133.02846	6.4
133.06506	2.9
133.10103	4.8
135.04410	1.3
135.08022	3.9
135.11685	3.8
141.06990	1.6
141.09106	0.9
143.04881	1.2
143.08546	3.5
145.06459	1.5
145.10115	9.4
147.04390	2.0
147.08060	7.5
147.11729	1.5
149.09656	3.8
151.03926	1.6
151.11143	0.8
153.09105	0.9
157.06520	2.1
157.10135	1.2
159.04422	2.1
159.08124	0.8
159.11691	2.9
161.02365	2.2
161.09573	3.9
162.10428	2.5
163.03935	4.7
163.11172	25.8
164.11929	1.0
165.09117	1.1
169.10164	1.7
171.04405	1.8
171.08067	1.0
173.02344	2.7
175.11212	1.5
177.05426	4.6
177.12773	3.0
179.03334	9.0
181.06435	1.1
183.04420	0.8
185.05954	4.0
187.03940	1.9
187.11166	2.8
189.11221	2.3
191.03389	7.2
193.04979	1.1
195.11696	1.1
197.06030	1.4
199.03964	1.2
201.05450	1.2
203.10730	0.9
205.04980	1.7
205.12193	4.8
211.03995	1.8
211.07469	0.9
213.05408	7.5
215.03423	1.8
217.05040	3.6
217.15991	1.1
222.12450	1.4
223.13283	58.3
224.13759	2.0
225.05542	1.4
227.07033	1.9
231.06560	4.3
231.13858	1.4
236.13998	1.0
239.03363	1.5
239.07133	1.8
245.15388	1.5
249.14864	6.5
255.06560	2.7
257.04498	9.9
259.06091	0.9
263.16507	5.0
273.07693	3.1
273.18494	2.7
275.20151	4.1
283.13281	1.5
285.07733	0.9
285.10971	1.0
291.19510	6.2
292.20264	4.9
293.21127	2.7
308.26901	0.8
337.14471	2.0
355.15417	2.0
365.13806	4.7
383.14883	18.2
401.15936	54.8
402.15958	1.6
435.21652	13.4
453.22684	17.5
460.10980	0.9
470.43359	0.9
471.23801	53.2
471.34650	1.5
472.24408	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	471.238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.9
55.01876	15.7
55.05511	19.0
57.03431	4.4
65.03915	2.8
67.05503	22.3
69.03428	5.6
69.07063	11.7
70.06589	3.4
71.04996	2.5
71.22126	2.5
71.51081	5.2
76.02235	5.9
79.05063	4.1
79.05495	40.0
81.03414	10.1
81.04650	2.6
81.07061	63.0
83.04990	14.9
83.08617	6.2
85.02883	2.4
91.05482	21.3
93.07035	13.6
95.04980	12.0
95.08612	13.6
97.02897	2.5
97.06531	8.7
97.10149	3.3
103.05447	7.2
105.07022	11.3
107.04954	5.6
107.08594	27.5
109.02869	12.0
109.06518	10.0
109.10182	12.2
111.04494	2.4
111.08084	4.1
115.05445	6.3
115.49055	2.3
116.01654	3.1
117.07038	5.6
119.08570	9.7
120.08115	9.6
120.15371	2.3
121.06535	8.5
121.10163	3.7
123.04433	6.6
123.08076	19.7
125.09628	53.1
127.03976	4.3
129.07014	8.0
131.04890	6.2
131.08627	4.2
133.06432	2.8
133.10141	4.2
135.08080	4.3
137.05974	4.9
137.09612	16.2
141.06998	4.3
143.08603	2.9
145.06508	10.6
145.10135	3.4
146.06020	8.2
147.04388	7.8
149.05975	3.6
153.01851	3.3
155.04910	3.3
155.08459	2.9
157.06505	8.5
157.10107	3.0
159.08084	3.6
161.01050	2.6
161.05988	20.1
162.02231	3.3
164.07066	13.4
165.05525	5.9
165.06880	4.2
165.09117	24.0
167.05055	2.8
167.07037	4.4
169.06508	6.3
171.04454	7.9
173.06015	36.0
174.89145	2.5
175.03906	8.6
175.07489	4.5
177.05475	22.4
179.04869	8.4
181.06538	7.5
183.04518	3.1
183.07980	3.4
184.05069	2.5
185.06015	11.3
187.03952	8.1
187.07550	13.0
189.05434	12.6
191.07025	3.9
191.08606	2.9
195.08131	4.8
197.05942	8.0
197.09587	3.2
198.06578	2.9
199.03932	19.8
199.07587	10.9
200.04761	12.4
201.05464	100.0
201.09235	3.7
202.05743	2.7
203.07031	9.0
209.05948	3.8
209.07988	3.5
210.08464	3.2
211.07567	6.6
213.05489	47.7
213.09096	4.4
215.06961	18.2
217.05013	5.2
219.11729	3.8
221.09764	4.8
223.11200	4.0
227.07079	28.1
227.10545	4.0
239.06880	3.7
239.10715	9.1
241.08597	16.6
241.12218	35.1
241.14401	4.4
251.06952	4.6
251.10645	5.3
253.08470	3.8
253.12248	3.1
255.10023	3.0
257.11871	2.7
265.12274	8.5
267.10178	7.3
269.11667	13.5
281.11703	5.4
283.13312	61.7
284.13614	3.1
293.11777	8.0
295.13187	4.8
297.14886	4.3
305.11523	2.8
307.13336	3.5
309.11215	3.3
311.12793	97.6
313.14206	8.0
323.12711	6.5
325.14398	8.2
329.13785	17.9
341.13928	4.3
351.12247	3.0
355.15067	3.9
375.19745	2.7
389.21555	3.8
393.20441	4.7
407.22137	7.7
411.19223	14.5
412.19934	2.9
417.20508	18.6
425.23288	3.3
435.21674	36.2
453.22867	19.5
471.17343	3.2
471.24258	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	471.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	5.5
55.01867	9.0
55.05509	15.1
63.36177	2.2
64.76180	2.6
65.03947	3.4
66.71313	2.3
67.05503	31.1
69.03439	3.8
69.07066	14.1
69.95583	13.9
79.05488	49.0
81.03407	9.5
81.07054	86.8
83.04968	7.6
83.08625	7.6
85.06530	3.0
91.05480	28.8
93.07040	28.9
95.04968	27.9
95.08612	19.5
97.06507	5.1
97.10157	4.9
99.08115	3.1
105.07019	22.1
105.77122	2.3
107.04954	13.3
107.08607	18.4
109.06512	29.6
109.10172	8.3
111.08060	6.8
115.05450	3.7
117.07018	14.0
119.08588	28.9
121.06538	11.5
121.10164	14.6
123.04385	2.9
123.08083	18.7
125.09597	4.4
128.06230	3.9
129.07021	10.0
131.04915	2.8
131.08542	16.2
133.02879	3.0
133.06523	2.8
133.10143	7.3
133.65802	2.6
135.08057	5.7
135.11717	5.6
143.08578	8.6
145.06473	3.8
145.10123	15.3
147.04340	3.3
147.08054	10.9
147.11682	4.6
149.09601	14.3
157.06497	3.8
157.10039	5.3
157.32880	2.7
159.04402	4.6
159.08044	4.1
159.11710	5.0
161.02377	8.1
161.09612	9.5
163.03870	25.5
163.11197	9.6
165.86687	2.4
173.02354	18.8
173.05968	4.7
173.09633	2.6
175.11169	3.3
177.12709	3.6
185.05940	3.9
187.03876	15.2
189.05333	3.6
189.11295	2.8
199.03903	16.1
201.05487	4.0
213.05482	17.1
215.07060	3.7
223.13362	5.2
245.19061	3.7
249.14906	3.5
255.17337	4.6
267.13742	7.1
271.36520	2.3
273.18497	41.6
283.13486	4.0
291.19525	100.0
292.20044	3.7
311.12781	13.0
315.12360	5.0
325.14413	3.0
329.13727	4.6
391.22650	3.9
407.22433	3.8
417.20572	8.6
429.94876	2.6
435.21866	19.1
453.22440	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	471.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.4
55.01862	13.1
55.05498	22.7
55.08975	3.2
57.03439	6.9
67.05502	41.2
69.03429	3.8
69.07063	11.2
70.96594	7.6
79.05495	53.8
81.03414	11.3
81.07053	100.0
83.04986	5.6
83.08614	9.4
86.00275	2.8
89.03903	2.9
89.86369	3.3
91.05481	40.4
91.40929	2.6
93.07034	45.0
95.04957	21.3
95.08580	15.3
97.06525	6.8
97.10180	7.2
103.05415	3.2
105.03344	3.4
105.04548	3.1
105.07023	27.3
107.04935	16.8
107.08578	26.5
109.06513	34.2
109.10136	9.0
111.08060	5.8
115.05431	4.2
116.06234	3.1
117.07020	18.9
119.04973	4.5
119.08575	25.9
121.06506	14.4
121.10143	21.6
123.08070	38.0
123.11695	4.1
125.09619	5.3
129.07007	9.6
131.08572	14.8
133.02791	4.9
133.06424	3.7
133.10129	12.9
135.08052	10.3
135.11684	9.0
137.09644	4.1
143.08554	4.9
145.06461	6.1
145.10156	17.2
147.04411	4.3
147.08041	13.1
147.11673	3.8
149.05974	5.4
149.09573	18.0
155.08629	3.8
157.06505	4.7
157.10141	8.3
159.04433	10.9
159.08070	5.8
159.11681	5.7
161.02322	7.0
161.09613	9.2
163.03873	35.0
163.11121	14.2
165.05492	5.4
173.02356	33.2
173.05946	4.5
173.09592	5.6
175.03882	6.6
175.11136	3.6
183.04414	4.3
185.05984	9.6
187.03911	19.7
191.10580	5.9
199.03900	27.3
199.11188	4.0
201.05498	7.3
201.12779	4.5
213.05463	23.8
227.06987	4.2
245.19058	5.9
255.17349	6.3
267.10159	4.9
273.18500	45.2
274.19327	11.1
283.13345	5.2
291.19516	72.1
292.20297	8.0
311.12784	13.8
315.12231	11.8
325.14212	8.9
329.13867	4.2
339.15912	4.6
347.25647	3.0
353.13837	6.9
367.15561	6.8
407.22073	5.6
417.20679	24.8
435.21555	36.0
453.22641	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.2
55.01859	7.1
55.05510	17.0
57.03425	4.0
61.87878	1.8
67.05502	27.9
69.03419	4.4
69.07071	11.2
69.95496	6.9
69.95918	2.6
71.04993	2.4
71.55586	1.7
79.05492	39.9
81.03432	9.1
81.07056	64.5
83.04964	5.1
83.08620	7.1
85.06512	1.9
91.04915	2.3
91.05479	26.6
93.07045	25.2
95.04964	27.5
95.08593	13.4
97.06512	2.4
97.10152	6.1
98.20843	1.8
103.05445	2.2
105.03322	1.8
105.07027	18.2
107.04970	12.9
107.08605	18.0
109.06513	14.9
109.10159	7.5
111.08069	3.7
117.07008	14.3
119.04960	2.1
119.08582	25.8
121.06499	10.6
121.10157	11.9
123.08066	16.3
125.09615	7.4
128.06262	1.8
129.06999	8.4
131.08527	12.2
133.02884	2.7
133.06461	2.0
133.10107	7.0
135.08032	7.4
135.11693	3.8
137.05902	1.9
137.09644	2.2
143.08530	6.7
145.06519	4.0
145.10135	15.6
147.08051	13.3
147.11774	2.2
149.09637	10.5
157.06468	2.5
157.10094	4.8
159.04424	3.2
159.08026	5.0
159.11691	5.5
161.02316	4.9
161.09590	5.8
163.03883	15.2
163.11140	8.9
165.07204	1.7
171.11588	3.9
173.02350	12.8
173.06023	4.2
173.09604	1.7
175.03854	3.0
175.07617	1.9
177.12733	2.3
185.06007	4.0
185.13313	2.0
185.97662	1.8
187.03894	7.6
189.11218	4.7
193.12251	3.3
199.03918	10.0
201.05527	3.7
213.05492	14.8
223.13321	6.7
227.17952	3.0
245.18802	3.7
249.14781	4.9
255.17401	6.7
267.13739	5.7
273.18494	35.5
274.19156	2.5
291.19537	100.0
292.20105	6.8
293.12021	1.7
302.25110	1.6
311.12738	6.7
315.12344	2.5
323.12869	2.6
323.16379	1.8
325.14185	2.0
344.17758	1.8
353.13638	2.2
367.15417	3.9
389.21078	2.6
407.22018	3.1
417.20563	4.7
435.21698	14.4
453.22528	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.4
55.01862	6.0
55.05508	19.0
56.73891	2.5
57.03412	3.8
67.05494	22.1
69.07050	7.7
71.20538	4.4
71.20875	3.4
79.05485	46.5
81.03424	6.6
81.07051	100.0
83.04996	6.8
83.08578	4.8
91.05482	27.5
93.07045	29.2
95.04977	15.1
95.08603	16.0
96.05748	4.1
97.06550	2.9
97.10162	4.1
105.07020	25.0
107.04948	15.7
107.08592	19.1
109.06511	40.0
109.10117	6.7
111.08059	4.0
115.05460	3.5
117.07024	17.9
119.08550	21.3
121.06500	12.4
121.10164	14.9
123.08076	10.3
125.09651	3.5
129.06979	10.0
131.04956	4.4
131.08565	26.1
132.09364	2.7
133.06427	4.8
133.10118	12.4
135.08018	8.7
135.11708	6.2
143.08563	8.3
145.10133	19.1
146.10869	5.6
147.04442	3.6
147.07996	12.4
147.11694	5.2
149.09581	8.8
150.10416	3.1
155.08472	3.0
157.10130	6.7
159.04295	3.4
159.11702	6.2
161.02339	3.7
161.08424	3.1
161.09619	11.3
161.13358	4.1
163.03885	21.8
163.11159	9.8
171.11659	4.4
173.02391	13.3
173.05974	4.5
173.09761	6.5
173.13170	3.3
175.11208	3.2
177.05403	2.7
179.03542	3.1
187.03888	11.4
187.14742	3.4
191.03389	5.6
191.10674	8.7
199.03911	11.7
213.05499	7.7
255.17377	8.0
273.18469	26.8
274.19226	8.5
291.19519	58.5
311.12796	3.7
325.14081	4.4
347.14548	3.5
353.13464	4.3
367.15369	4.6
373.23172	3.8
379.15082	6.7
391.22769	6.1
407.22018	4.2
417.20673	28.9
435.21631	64.5
436.22433	5.4
453.22836	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	469.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	7.2
55.01872	13.1
55.05506	18.5
57.03431	6.8
57.07071	5.1
59.05014	2.8
61.02920	5.2
67.05180	2.5
67.05504	23.1
68.99790	7.0
69.03437	35.0
69.07069	35.7
70.71552	5.6
71.01359	2.3
71.04998	23.2
73.02914	5.5
78.65419	2.1
79.05495	24.0
81.03418	26.2
81.07053	57.5
83.04972	5.7
83.08604	9.3
85.02907	35.6
85.06537	4.4
87.00820	21.4
89.03926	4.2
91.05488	19.2
93.07037	31.8
95.04968	15.4
95.08605	50.0
97.02899	19.6
97.05932	4.2
97.06533	78.1
97.10152	6.7
98.06878	4.8
99.04455	6.2
99.08078	4.7
100.09724	2.4
103.03967	4.4
103.05419	3.4
105.01859	9.9
105.07033	44.1
107.04948	7.8
107.08587	43.5
109.02864	13.9
109.06519	12.9
109.09468	4.5
109.10156	42.8
111.04436	7.2
111.08068	4.8
111.11710	3.4
115.03926	11.9
115.05455	3.4
117.03371	5.9
117.06993	9.0
119.04919	3.1
119.08578	46.4
121.06494	8.2
121.10143	35.4
123.04414	8.4
123.08066	10.2
123.11710	25.3
125.09644	4.9
127.03934	16.5
127.11195	14.3
129.01848	9.7
129.06973	4.6
130.07800	2.0
131.08559	21.1
133.06512	2.5
133.10132	33.2
135.04453	12.4
135.08072	5.0
135.11693	26.2
137.05986	8.3
137.09589	3.4
137.13255	7.6
141.07016	4.3
142.07780	6.0
143.07515	2.2
143.08502	11.5
144.09332	3.3
145.02811	7.5
145.04967	3.7
145.10117	25.4
147.02899	4.1
147.07997	4.1
147.11676	30.3
149.09648	5.2
149.13255	15.8
151.07520	2.9
151.11162	5.5
153.12709	6.5
155.08553	4.9
156.09288	2.9
157.10098	16.5
159.02908	6.6
159.04416	5.1
159.08018	3.9
159.11693	30.8
161.02373	15.0
161.09622	5.4
161.13260	10.6
163.03905	58.8
163.07585	3.7
163.11192	7.6
163.14874	4.3
165.07001	2.6
165.09142	4.6
165.12683	2.7
167.07056	3.4
169.10162	7.4
170.10846	3.6
171.02850	2.4
171.08014	3.7
171.11685	13.9
173.02333	43.3
173.09633	4.0
173.13249	12.1
174.02654	4.2
175.11224	6.4
175.14815	6.0
177.12787	4.1
177.16367	2.6
181.10136	3.9
183.11690	7.5
185.09599	3.6
185.13203	4.0
187.07501	2.6
187.14772	5.8
189.03914	2.6
189.09146	2.9
189.12767	3.1
189.16411	8.3
191.14305	3.7
191.17957	2.7
193.15962	2.7
193.19516	3.7
195.11757	4.7
195.17458	3.8
197.13245	5.6
199.11176	3.2
201.03960	7.0
201.12743	3.4
201.16298	12.7
203.14372	2.3
203.17979	15.5
209.13350	2.9
213.16461	4.7
215.07034	52.2
215.17996	5.9
216.07306	4.9
219.04991	3.2
219.13831	2.5
219.17397	6.2
221.19046	11.3
223.14854	3.1
225.12767	5.0
227.18018	4.7
231.04958	3.8
231.17372	5.5
233.15570	3.1
233.19035	4.6
243.17476	4.3
245.18973	8.3
259.09665	100.0
259.16898	3.1
260.10007	15.9
263.20203	5.2
269.18948	2.7
277.10690	54.1
277.13480	4.4
287.20001	5.0
293.18988	3.8
305.21185	2.5
311.20059	14.2
329.21057	9.7
347.22330	2.6
415.21405	4.0
433.22296	7.0
451.23456	11.3
469.24261	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	469.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	7.2
55.01872	13.1
55.05506	18.5
57.03431	6.8
57.07071	5.1
59.05014	2.8
61.02920	5.2
67.05180	2.5
67.05504	23.1
68.99790	7.0
69.03437	35.0
69.07069	35.7
70.71552	5.6
71.01359	2.3
71.04998	23.2
73.02914	5.5
78.65419	2.1
79.05495	24.0
81.03418	26.2
81.07053	57.5
83.04972	5.7
83.08604	9.3
85.02907	35.6
85.06537	4.4
87.00820	21.4
89.03926	4.2
91.05488	19.2
93.07037	31.8
95.04968	15.4
95.08605	50.0
97.02899	19.6
97.05932	4.2
97.06533	78.1
97.10152	6.7
98.06878	4.8
99.04455	6.2
99.08078	4.7
100.09724	2.4
103.03967	4.4
103.05419	3.4
105.01859	9.9
105.07033	44.1
107.04948	7.8
107.08587	43.5
109.02864	13.9
109.06519	12.9
109.09468	4.5
109.10156	42.8
111.04436	7.2
111.08068	4.8
111.11710	3.4
115.03926	11.9
115.05455	3.4
117.03371	5.9
117.06993	9.0
119.04919	3.1
119.08578	46.4
121.06494	8.2
121.10143	35.4
123.04414	8.4
123.08066	10.2
123.11710	25.3
125.09644	4.9
127.03934	16.5
127.11195	14.3
129.01848	9.7
129.06973	4.6
130.07800	2.0
131.08559	21.1
133.06512	2.5
133.10132	33.2
135.04453	12.4
135.08072	5.0
135.11693	26.2
137.05986	8.3
137.09589	3.4
137.13255	7.6
141.07016	4.3
142.07780	6.0
143.07515	2.2
143.08502	11.5
144.09332	3.3
145.02811	7.5
145.04967	3.7
145.10117	25.4
147.02899	4.1
147.07997	4.1
147.11676	30.3
149.09648	5.2
149.13255	15.8
151.07520	2.9
151.11162	5.5
153.12709	6.5
155.08553	4.9
156.09288	2.9
157.10098	16.5
159.02908	6.6
159.04416	5.1
159.08018	3.9
159.11693	30.8
161.02373	15.0
161.09622	5.4
161.13260	10.6
163.03905	58.8
163.07585	3.7
163.11192	7.6
163.14874	4.3
165.07001	2.6
165.09142	4.6
165.12683	2.7
167.07056	3.4
169.10162	7.4
170.10846	3.6
171.02850	2.4
171.08014	3.7
171.11685	13.9
173.02333	43.3
173.09633	4.0
173.13249	12.1
174.02654	4.2
175.11224	6.4
175.14815	6.0
177.12787	4.1
177.16367	2.6
181.10136	3.9
183.11690	7.5
185.09599	3.6
185.13203	4.0
187.07501	2.6
187.14772	5.8
189.03914	2.6
189.09146	2.9
189.12767	3.1
189.16411	8.3
191.14305	3.7
191.17957	2.7
193.15962	2.7
193.19516	3.7
195.11757	4.7
195.17458	3.8
197.13245	5.6
199.11176	3.2
201.03960	7.0
201.12743	3.4
201.16298	12.7
203.14372	2.3
203.17979	15.5
209.13350	2.9
213.16461	4.7
215.07034	52.2
215.17996	5.9
216.07306	4.9
219.04991	3.2
219.13831	2.5
219.17397	6.2
221.19046	11.3
223.14854	3.1
225.12767	5.0
227.18018	4.7
231.04958	3.8
231.17372	5.5
233.15570	3.1
233.19035	4.6
243.17476	4.3
245.18973	8.3
259.09665	100.0
259.16898	3.1
260.10007	15.9
263.20203	5.2
269.18948	2.7
277.10690	54.1
277.13480	4.4
287.20001	5.0
293.18988	3.8
305.21185	2.5
311.20059	14.2
329.21057	9.7
347.22330	2.6
415.21405	4.0
433.22296	7.0
451.23456	11.3
469.24261	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	469.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.5
67.05469	1.2
67.20166	1.3
69.03413	3.2
70.06587	1.3
71.01356	1.4
71.04980	1.5
71.49796	1.7
79.05471	3.1
81.03412	3.4
81.79042	1.0
83.04999	1.0
85.02886	2.3
91.05479	7.9
94.04173	4.3
94.15108	1.0
95.04947	2.4
97.02910	3.0
101.02374	3.9
103.05479	10.4
105.07018	4.0
107.04930	2.6
111.04449	2.7
115.05453	5.4
117.06995	8.5
119.04948	6.4
122.03672	5.5
123.04393	1.3
125.00033	1.1
128.06226	2.1
129.07036	5.9
131.04926	16.9
131.08569	2.6
133.06483	2.4
136.05128	1.1
137.05977	100.0
138.06320	2.0
141.07002	4.9
143.04900	3.7
143.08525	2.9
144.05664	1.4
145.06473	14.2
146.03627	3.1
147.04411	16.3
149.06000	7.2
151.03903	1.9
151.07538	28.8
152.06322	1.9
153.06982	1.5
155.04863	1.3
155.08607	1.5
157.06482	5.2
157.10258	1.2
158.07216	1.3
159.08051	2.9
160.05202	3.4
161.05969	10.4
161.09628	1.1
162.06752	2.7
163.07555	19.9
165.05428	3.2
165.06902	2.3
165.09125	1.8
167.07089	1.1
167.08510	2.4
169.06491	5.2
171.08034	3.1
174.06770	4.2
175.07565	18.1
176.04741	1.5
177.05515	13.8
177.09103	12.4
179.07042	7.8
179.08511	1.5
181.06480	2.8
183.08066	3.1
184.07349	3.1
185.05992	2.4
185.09589	2.6
186.06784	1.6
187.07555	10.5
188.08359	1.9
189.05412	3.7
189.09082	10.2
191.07043	5.7
191.10709	1.3
193.08589	4.8
195.08069	5.8
197.06006	3.8
198.06778	2.6
199.07570	4.8
201.05420	2.6
201.09084	10.0
203.07014	5.9
203.10687	4.4
205.08585	4.7
207.10185	2.2
208.70522	1.1
211.07552	3.7
212.08299	1.8
213.09108	4.0
214.06268	1.7
215.07034	5.4
215.10674	3.2
217.04961	1.3
217.08585	7.3
219.10097	6.9
223.07506	2.1
225.09174	2.1
227.06999	4.2
227.10577	5.3
229.08585	8.1
229.12364	1.2
231.10095	5.5
233.07982	1.7
233.11671	1.5
237.09024	1.6
241.08604	4.1
243.10262	2.8
245.07985	2.0
245.11728	6.4
246.12376	1.2
247.09688	3.5
255.10219	4.9
257.11856	2.7
259.09625	2.5
271.09674	1.9
273.08597	1.5
273.11194	15.1
274.11993	1.4
275.13089	1.6
285.11353	1.3
287.12790	1.4
291.12241	4.8
303.12595	1.3
305.11682	1.3
311.12820	1.9
321.11179	1.8
329.11975	1.5
331.13123	1.6
335.12634	2.2
337.14175	1.7
349.14114	1.2
359.12650	1.5
361.14523	1.4
365.13730	2.7
366.14551	1.3
377.13742	1.9
379.15341	2.4
391.15549	1.9
402.86343	1.3
409.16504	3.1
433.16595	2.6
451.17316	5.1
469.18503	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05014	1.0
57.03426	0.6
58.06596	1.2
60.08160	15.1
65.03909	0.6
67.05495	0.9
70.06564	0.8
71.07378	5.0
71.49651	0.8
71.50014	0.5
79.05472	1.3
81.03424	0.8
81.07056	1.4
85.02890	2.0
86.09702	44.9
87.10033	0.8
91.05468	1.3
93.07005	0.9
95.04962	0.6
95.08624	0.6
95.99704	0.6
97.02853	0.5
98.98465	3.2
104.10737	68.4
105.07011	0.7
105.11065	1.0
107.04943	0.7
124.99998	27.2
131.08553	0.5
147.11653	0.6
169.06482	1.2
184.07333	100.0
185.07729	2.4
197.05949	1.2
200.04709	0.6
211.07439	0.9
215.07066	1.9
232.79778	0.5
259.09653	2.3
272.10464	2.3
287.05368	1.0
288.05875	0.7
304.05319	1.2
305.05795	1.1
306.05826	1.1
323.82669	0.6
450.22452	5.0
468.23590	24.8
469.24060	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.3081
Annotation	2-tetradecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
56.05052	0.9
57.07057	2.5
58.06604	0.9
60.08162	16.1
67.05495	2.7
68.64998	0.7
69.07059	1.0
71.07373	6.7
71.08625	2.5
71.52266	1.1
79.05491	1.0
81.07046	1.1
85.10172	1.3
86.09704	50.0
95.08570	1.5
98.98444	3.0
104.10738	99.4
105.11064	1.2
125.00001	27.3
163.01517	1.1
184.07336	100.0
258.11127	1.2
285.24203	2.3
389.98428	0.9
447.63806	0.8
450.29846	8.2
468.30844	28.5
469.31088	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60822	0.8
53.03949	8.0
53.85706	0.7
54.06787	0.8
54.48166	0.8
55.01862	3.6
55.05524	1.2
57.88183	1.0
61.02919	2.0
64.30921	0.9
65.03954	4.3
67.05510	6.9
69.03414	2.2
69.07068	1.0
69.22426	0.8
70.01748	4.2
70.06598	2.5
71.01361	1.0
74.06065	2.7
77.03898	1.4
79.05476	2.6
81.03409	2.1
81.07039	2.2
83.04978	1.6
84.04496	1.4
84.08134	2.5
85.02909	4.7
86.09706	1.6
87.10039	1.1
91.05469	4.2
93.03385	1.2
93.07020	1.0
95.04967	67.8
95.08567	1.0
97.02869	2.0
97.06514	1.8
103.05448	1.1
105.03389	1.6
105.04499	3.0
105.07016	1.8
107.04956	4.6
108.02084	1.6
108.61874	0.8
109.02888	0.9
109.06509	3.3
110.03637	0.8
110.64165	1.1
111.04426	3.4
116.07091	1.2
117.06949	0.9
118.96709	0.9
119.04919	2.0
119.08656	0.8
121.06483	2.1
121.10175	1.0
123.04430	76.0
124.99969	0.9
125.02370	1.6
125.06010	1.5
127.03918	1.0
130.08633	1.9
131.04906	1.6
133.02838	4.3
133.06490	2.0
135.04376	2.4
137.06018	6.2
139.03900	2.4
140.04686	22.8
142.02562	0.9
145.06512	1.5
146.06023	1.5
147.04407	2.5
148.05135	0.9
149.05943	3.6
151.03934	1.7
151.07518	3.4
152.04637	0.8
153.05466	3.9
154.06285	1.1
155.07031	44.0
160.07617	1.0
161.05971	2.2
163.03874	2.1
163.07597	1.5
164.07066	1.8
165.01956	0.9
165.05490	11.3
166.06197	1.5
167.07047	27.4
167.08415	1.0
173.08121	1.3
173.09613	0.9
175.07541	1.2
177.05431	6.7
179.07002	2.7
180.07800	3.6
181.03413	1.6
181.04959	25.6
181.06529	1.7
182.05521	1.1
183.06532	100.0
184.07256	5.1
185.07526	0.9
187.07498	3.4
188.10735	1.3
189.09056	1.2
191.06921	1.3
193.04951	3.9
193.08578	1.2
195.06546	4.7
196.09705	1.9
197.08058	1.5
200.04614	0.9
207.06508	4.7
208.07249	8.1
209.08051	5.7
213.09084	2.0
215.06982	1.6
215.10635	1.0
217.08650	1.0
219.06516	2.0
221.07967	1.0
225.05521	1.6
225.07568	21.6
226.08366	6.3
227.09093	3.3
231.10153	1.2
241.08551	2.1
243.08589	1.6
259.09552	2.6
264.15912	2.9
269.10379	1.0
272.10208	1.3
274.14468	2.3
277.10736	9.5
291.64539	0.9
323.05743	1.1
359.10986	1.4
451.22360	1.0
469.17172	3.5
469.23489	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	468.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24331	1.9
60.08162	2.4
67.05493	5.4
69.03398	3.1
69.07065	4.3
69.65742	6.9
69.66152	6.0
71.01337	2.6
75.70699	1.8
79.05497	3.9
81.03425	2.1
81.07047	2.1
83.04978	3.7
85.02893	2.2
86.09687	8.9
87.10036	2.2
91.05445	3.4
92.98296	1.7
93.07001	2.0
95.04965	11.5
97.02908	1.9
97.06535	17.0
103.06385	1.7
104.10719	4.6
105.06994	2.0
109.08203	2.2
124.99979	6.2
133.06387	2.3
135.04347	2.5
147.04372	6.5
160.05199	6.7
161.05991	27.7
163.03885	32.3
169.06442	3.8
171.07973	2.9
173.06021	5.9
175.03891	3.7
175.07504	2.2
177.05457	3.1
179.06998	10.0
184.07338	27.7
185.07558	2.0
186.07736	2.0
187.07550	3.3
189.09079	35.1
193.08585	3.3
195.08107	5.0
197.06004	2.8
197.08086	4.6
207.02759	2.2
207.06297	2.1
211.09624	3.5
213.09143	8.5
215.07004	39.6
217.08585	11.3
231.10095	5.8
241.08594	2.7
259.09653	100.0
260.09949	2.5
277.10605	11.2
392.08337	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	468.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05037	0.3
57.03450	0.2
58.06610	0.3
60.08164	6.1
61.58352	0.2
67.05514	0.3
69.03412	0.2
70.07050	0.6
71.07374	2.8
79.05489	0.4
81.03419	0.2
81.07051	0.3
85.02883	0.4
86.09706	29.9
87.10036	0.2
91.05484	0.4
93.07042	0.2
95.04977	0.2
95.08615	0.4
98.98473	2.4
104.10741	3.4
105.07057	0.2
107.05038	0.2
119.08556	0.2
125.00006	20.9
131.08566	0.2
139.11200	0.6
143.01125	0.2
145.89798	0.2
157.12247	1.1
184.07343	100.0
185.07675	1.0
196.09656	0.2
213.53593	0.2
236.09346	0.2
255.65071	0.2
258.10995	0.3
285.16965	0.2
309.14209	0.3
315.32715	0.2
349.45013	0.2
358.69217	0.2
450.22623	0.8
468.23575	4.1
469.23795	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62400	1.4
55.05515	13.4
57.03427	1.7
57.07079	38.0
58.51532	1.7
59.04989	4.1
65.03935	1.9
67.05508	100.0
69.07054	7.5
71.04996	3.3
71.08637	25.2
71.52605	2.1
71.52970	2.1
79.05499	4.2
81.07053	27.5
81.98985	1.6
83.08623	17.2
85.06532	4.9
85.10190	11.9
89.06027	1.9
91.05479	6.5
93.07044	3.0
94.74023	1.4
95.08604	26.5
97.10191	5.6
101.56904	1.3
107.08586	1.6
109.10158	83.2
111.08064	2.5
111.11736	1.9
117.72556	1.5
119.08577	5.5
123.11714	4.9
127.11213	1.7
130.16562	1.7
137.09639	3.6
137.13275	1.7
155.00928	1.6
155.10677	3.5
173.11732	28.0
239.23689	9.6
323.24240	1.6
374.25601	1.7
399.32773	1.4
467.37341	89.4
468.37772	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	468.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	2.9
55.05486	3.1
65.36872	1.5
67.05492	10.0
69.03403	3.7
69.07060	14.9
70.06604	1.9
71.50970	3.0
72.08131	1.9
79.05498	9.8
81.03401	1.8
81.07014	2.9
83.04980	3.5
84.04470	2.4
85.02896	6.6
86.09707	2.2
89.03904	5.9
91.05447	2.4
95.04958	6.0
95.08574	3.1
96.92313	1.6
97.02888	2.6
97.06528	24.2
105.07027	3.7
117.03368	7.5
117.06966	1.9
134.03613	3.8
135.04402	18.5
145.02847	11.8
149.05840	1.8
159.04474	3.3
161.02238	2.8
163.03903	100.0
165.05522	2.1
169.06615	2.6
171.04358	1.7
180.03815	2.2
184.05263	2.1
184.07243	4.2
185.09573	2.4
195.08026	2.3
215.07010	2.4
217.04968	3.9
220.07413	1.9
241.08598	68.2
241.11121	3.2
259.09647	83.9
272.10352	5.8
323.05423	5.5
389.16641	1.8
407.11459	3.1
468.17050	2.6
468.22833	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	466.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.5
57.06834	0.5
57.07077	6.7
58.06581	1.8
65.03930	2.0
67.05524	0.5
67.33058	0.4
69.07070	0.5
70.06594	16.4
70.57516	0.9
71.08624	2.3
79.05455	0.7
81.07035	1.0
84.08141	0.4
85.10149	0.8
86.09689	0.6
88.07632	20.6
91.05476	0.7
93.07049	0.8
95.04980	0.4
98.20731	0.4
99.79893	0.4
100.10243	0.4
102.09177	15.4
109.10162	0.5
119.08600	0.6
121.02849	1.1
132.10219	0.5
139.03888	1.2
146.11771	0.6
149.02347	55.3
149.03432	3.6
150.02713	0.7
165.66583	0.4
193.04961	55.7
194.05247	1.1
198.03372	0.4
212.23680	0.7
237.07571	60.3
238.07927	1.0
256.26346	49.0
257.26700	1.2
300.29041	2.2
404.27774	0.5
466.31647	100.0
467.32031	4.2
476.69797	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
69.42695	7.9
69.43111	12.4
91.08442	2.3
92.23003	2.5
94.93002	5.3
98.21506	3.5
119.01900	22.0
122.13220	2.4
136.94046	3.7
137.02971	9.4
138.93813	3.8
145.03462	26.2
145.56754	2.3
157.03409	3.7
161.02934	5.1
169.03464	29.8
171.05048	8.6
185.02931	9.2
187.02969	4.6
187.04512	44.9
195.05031	4.8
197.03006	9.3
203.03958	4.9
205.05583	8.2
211.04538	3.9
213.06039	3.7
215.03970	14.8
221.02907	3.8
223.04472	6.7
229.05591	15.5
237.03419	2.7
239.04076	3.2
247.06633	11.7
253.00797	12.7
268.98233	10.3
270.84332	5.7
270.98071	12.6
275.06134	100.0
276.06412	4.7
293.07236	24.3
301.07712	18.6
303.05475	7.8
312.85284	7.2
316.08710	7.0
326.82724	4.4
329.07010	4.8
347.08301	6.4
350.80569	4.4
362.99600	3.5
364.78897	3.5
368.83856	3.3
377.05026	5.0
381.00333	5.4
389.09253	20.6
397.02267	11.9
406.79694	4.5
407.10214	28.6
413.01791	7.4
424.80322	12.1
425.11288	15.0
426.01361	3.8
441.01270	9.0
448.99158	9.9
466.99432	25.5
467.99240	3.6
484.99789	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	466.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	2.9
63.63779	2.1
65.14068	1.7
67.05493	4.1
69.03432	14.4
69.07070	3.7
69.68426	9.8
79.05480	8.1
81.07053	100.0
85.02919	9.4
85.77187	1.7
87.04462	7.8
88.85825	1.7
92.07827	1.7
95.08612	15.3
97.02890	14.9
109.85235	1.8
115.03931	22.1
127.03888	2.1
133.04956	23.0
137.13251	19.7
145.04926	3.0
173.02217	2.0
186.47563	2.0
201.69347	1.8
248.24374	2.2
295.10184	2.0
372.49802	2.0
375.08044	2.0
406.51453	2.4
407.18213	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	466.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.5
55.05505	6.9
57.03424	4.7
61.02919	2.5
62.02679	1.7
65.03909	1.5
67.05503	20.4
69.03420	4.1
69.07077	8.1
69.86889	9.4
70.06574	2.3
79.05484	13.2
81.03408	2.7
81.07059	23.8
83.00615	1.5
83.04977	4.2
83.08601	5.3
85.02905	4.8
85.32100	2.0
86.09708	4.5
91.05463	6.4
93.07047	25.3
94.04200	2.0
95.04977	4.0
95.08614	8.4
97.02850	3.7
97.06535	7.0
100.11213	2.1
105.07022	3.6
107.04900	1.8
107.08601	9.9
109.02870	2.2
109.10169	2.8
111.11707	1.9
115.03898	2.5
117.06992	3.1
119.08575	2.2
121.06483	2.3
121.10133	7.3
122.03676	4.3
131.04926	1.9
131.08531	2.4
133.04974	2.0
133.10129	3.9
135.08049	1.8
135.11674	3.7
137.05972	22.4
138.06306	9.2
149.13264	14.2
153.01852	17.1
154.02150	8.0
159.11740	8.4
159.29865	1.7
177.12773	4.2
184.07323	7.8
189.54517	1.7
195.13788	7.7
255.05191	1.6
265.05081	5.3
266.05310	3.4
269.04602	2.2
269.17484	100.0
270.04776	3.2
294.04803	2.6
296.06400	2.4
297.03824	2.2
298.04364	5.9
299.04880	2.2
300.05591	1.7
311.05493	15.8
312.05801	27.2
313.05997	2.0
324.05743	2.4
339.18127	3.5
436.11069	2.0
466.12177	82.1
467.12372	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	466.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.0
55.05497	1.0
57.03437	4.9
57.07063	1.1
61.02921	2.3
67.05492	4.1
69.03432	5.9
69.07055	2.2
69.77985	4.8
69.78416	1.7
73.02920	10.0
76.41022	1.0
79.05486	6.3
81.03412	1.6
81.07055	100.0
82.07346	1.2
84.04498	1.2
84.23505	0.9
85.02906	18.0
86.09699	2.5
87.10014	1.2
87.14067	1.1
95.08604	14.2
97.02897	12.9
97.11833	1.0
97.74470	0.9
99.04422	1.3
109.02869	2.8
109.10123	1.4
115.03951	6.0
124.99962	2.3
127.03251	0.9
127.03936	8.6
133.04958	11.8
137.13252	22.9
145.04976	9.6
163.06013	6.8
184.07391	6.9
185.07687	2.3
185.92537	1.0
186.07825	2.1
193.59126	1.0
217.06995	1.4
223.06114	2.6
241.06976	2.1
259.08051	3.2
295.10156	1.6
406.19604	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.22
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.3
56.05035	0.5
57.03426	0.2
58.06360	0.2
58.06609	0.4
60.08161	6.9
67.05504	0.3
69.17960	0.2
70.06562	0.3
70.74857	0.2
71.03547	0.4
71.03905	0.3
71.05006	0.2
71.07375	3.0
72.08163	0.3
74.52175	0.2
74.67070	0.2
76.62836	0.2
78.80601	0.2
79.05487	0.5
81.03413	0.2
81.07056	0.6
83.01299	0.3
83.08630	0.3
84.08127	0.3
85.02918	0.3
86.09704	31.4
87.10038	0.3
91.05470	0.3
93.07021	0.3
98.98464	3.1
99.71398	0.2
104.10738	3.7
105.07072	0.2
107.04966	0.3
109.06511	0.2
119.08575	0.3
125.00001	21.5
127.92842	0.2
135.11591	0.2
137.06001	0.4
143.01074	0.3
161.05942	0.2
163.11266	0.3
170.35593	0.2
178.08597	0.5
184.07335	100.0
185.07690	0.5
196.09721	0.8
236.09306	0.3
283.15530	0.3
304.11731	0.4
307.16510	2.2
333.47528	0.2
353.17072	0.2
395.09390	0.2
418.67023	0.2
448.20767	0.9
466.21588	1.8
466.25729	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76541	0.5
53.03939	1.7
54.22618	0.4
55.01868	1.7
55.05511	0.9
57.03434	4.2
57.07079	1.8
59.05009	0.5
60.48928	0.5
61.02921	3.0
67.05499	4.1
69.03429	8.5
69.07072	4.0
71.01347	0.7
71.04995	0.9
71.25303	1.0
73.02917	16.9
76.69740	0.6
79.05494	8.7
81.03425	1.4
81.07056	100.0
82.07352	0.7
85.02906	21.9
86.09743	0.7
87.04481	1.4
91.03930	1.2
93.07050	1.2
95.04951	0.6
95.08607	19.6
96.63341	0.4
97.02896	16.4
97.06514	0.9
99.04452	1.2
103.03968	0.7
105.07050	0.6
108.72477	0.5
109.02871	1.8
109.10162	1.8
110.64550	0.5
111.83723	0.5
115.03928	8.5
115.04680	0.8
127.03922	7.7
133.04965	13.8
137.05959	0.7
137.12195	1.1
137.13255	22.2
144.47534	0.6
145.04956	11.3
150.07645	0.7
157.04999	0.6
163.06036	5.3
193.04951	0.6
205.81874	0.6
217.07182	0.5
223.05975	2.4
241.07101	3.7
242.05847	0.7
257.04532	0.9
258.04889	1.8
259.08063	3.7
277.09232	0.7
286.04617	0.7
287.05298	0.6
290.85413	0.5
295.10358	2.6
408.42459	0.5
431.12656	0.5
466.12234	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	466.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.2
55.01866	2.8
55.05499	0.9
57.02135	0.7
57.03431	5.1
60.04515	2.5
61.02925	9.7
65.03945	3.9
69.03431	18.8
70.06586	1.9
71.01330	0.8
71.04981	3.2
71.15177	0.8
73.02905	4.1
74.06081	1.1
79.05492	2.1
80.04995	0.9
81.03420	11.7
81.07060	1.2
81.36213	0.7
83.01347	1.3
84.04506	2.7
85.02905	100.0
86.03251	1.1
86.06113	0.7
87.04465	2.1
91.03944	5.6
93.03404	1.3
94.06551	1.1
95.04951	1.1
96.04518	0.7
97.02891	27.3
98.03289	0.7
98.06052	1.3
99.04469	5.1
103.05482	0.7
106.06583	1.0
107.04983	1.3
109.02878	10.1
109.06483	0.9
111.04437	7.5
112.03964	1.5
115.03937	1.3
117.07081	0.8
120.04417	0.8
120.08125	1.8
121.06509	0.9
122.05988	1.2
123.04494	0.9
125.05060	1.8
125.05989	36.9
125.69345	0.7
126.05498	1.5
127.03914	26.0
128.03444	2.0
128.06224	0.7
129.01872	3.4
131.05035	0.8
136.07527	2.1
137.02359	1.1
137.06020	3.2
138.05548	0.9
139.03926	1.1
144.06572	3.3
145.04958	51.0
149.06049	1.4
151.03969	1.5
152.07149	1.0
154.08609	1.3
155.07048	1.0
158.14336	0.8
159.04578	1.0
162.09134	1.6
163.03946	1.1
163.06033	17.0
163.07422	1.6
164.07104	2.1
165.05467	1.2
173.05994	0.9
177.05551	1.1
178.08516	1.1
180.06616	1.2
190.08537	1.3
191.07086	2.8
192.06590	1.0
196.09816	1.2
198.07674	0.9
208.09616	0.9
218.08322	1.0
223.12035	1.1
224.09215	3.3
225.07477	1.0
240.12363	1.3
242.10335	3.2
268.11850	7.2
286.12900	7.0
304.05438	3.3
304.13803	0.8
305.05685	1.0
389.09509	0.8
390.19308	2.2
397.49506	0.8
448.18369	1.4
466.20563	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	465.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81569	0.8
55.01875	13.3
55.05512	20.2
57.03442	9.6
57.07078	9.3
57.15501	0.9
67.05504	8.8
69.07072	23.3
69.61145	4.3
69.61546	1.9
70.28706	0.9
71.08624	5.4
71.38686	1.0
73.02925	7.3
79.05492	5.3
81.07059	9.7
83.04986	0.9
83.08614	20.7
85.10155	2.1
93.07059	5.0
95.08598	4.5
97.06519	4.1
97.10168	11.1
98.98469	44.5
107.08579	2.8
107.69160	0.9
109.10161	1.8
111.08096	1.7
111.11697	3.8
113.61645	0.8
116.38518	0.9
116.99455	1.0
121.10146	6.2
129.05478	3.9
135.11682	4.3
136.99995	3.7
137.13278	1.2
149.13295	1.1
155.01044	43.5
211.03683	2.1
219.20917	1.0
229.04602	2.1
237.22127	10.2
311.25812	100.0
312.26047	3.1
321.25067	1.1
344.03918	0.9
391.22174	1.3
434.49258	0.9
447.25198	14.0
448.25037	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02397	2.0
53.03942	9.2
53.15828	1.8
53.20300	1.6
54.44901	1.6
55.01870	9.7
55.05511	38.1
55.05788	1.8
57.03437	24.6
57.07070	3.0
59.05016	2.3
61.70091	1.4
65.03945	5.6
67.05504	96.6
67.96086	1.8
69.03437	5.4
69.07067	22.7
70.13706	2.8
70.14117	5.5
71.01358	4.3
71.04983	9.7
76.99365	1.4
79.05492	98.2
79.31001	1.6
81.03418	83.7
81.07053	70.8
82.03754	1.8
83.04979	28.9
83.08614	31.4
83.09056	2.3
85.02908	38.1
85.06560	5.3
91.05481	91.4
91.22282	1.4
93.07042	85.9
95.04964	54.1
95.08604	26.9
95.09177	2.0
97.02932	3.8
97.06533	19.2
97.10162	18.3
99.08115	4.9
103.05495	1.5
105.04544	2.3
105.07034	40.4
105.07700	2.7
107.04955	14.7
107.08587	53.2
109.06517	10.6
109.10166	11.7
111.04451	7.3
111.08083	15.2
113.06023	4.4
115.05474	6.7
117.07017	23.6
119.04926	3.1
119.08578	33.0
119.09357	1.9
121.06519	8.5
121.10137	22.5
123.08079	3.9
123.11742	2.2
125.06012	2.3
125.09662	6.0
129.07001	14.9
130.07834	3.9
131.08557	16.3
133.06529	4.3
133.10146	17.0
135.08063	17.9
135.08850	1.5
135.11691	58.2
137.06055	1.6
137.09630	5.1
139.03990	1.9
142.07784	3.0
143.08604	3.0
145.09140	2.7
145.10101	13.6
146.03664	1.9
147.04453	2.4
147.08075	5.2
147.11682	17.1
148.05243	2.7
149.09645	7.1
151.11220	3.0
153.01770	7.4
153.12834	2.7
157.10117	17.2
157.11105	1.4
159.11714	1.8
161.06018	1.8
163.07564	3.0
163.11156	16.0
165.09149	1.9
165.12822	5.7
175.11176	21.7
181.08719	1.8
181.12251	10.1
189.11278	2.0
193.12241	77.1
203.03487	2.7
211.13284	86.9
226.42128	1.6
227.12868	1.9
229.05014	3.7
242.05890	7.0
249.14902	2.7
253.04836	2.2
255.16037	6.2
257.04449	38.4
257.07047	1.9
258.05228	14.0
259.05920	2.3
267.15915	9.6
283.15582	4.7
285.03909	4.1
285.16940	2.8
286.04752	21.7
287.05508	12.2
297.04102	5.6
299.05630	1.9
301.07281	2.2
302.07849	2.3
303.07761	2.6
329.21173	3.8
347.22302	3.1
355.22849	2.9
373.23904	6.4
403.25043	2.8
421.26349	3.6
435.11252	3.5
447.10818	8.1
447.27927	11.4
465.11786	69.2
465.28757	100.0
466.12149	11.5
466.29105	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	465.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.4
54.14001	0.7
55.01864	0.9
59.37747	0.8
69.03433	1.1
69.07045	0.9
73.02938	0.9
79.05474	1.6
81.03376	1.0
81.07028	1.2
85.02896	1.1
91.05466	3.5
93.07033	2.3
95.04971	2.0
95.08583	2.0
97.02905	0.9
97.06520	1.1
103.30037	0.8
105.07037	2.4
107.04956	3.1
107.08593	1.0
109.10154	1.2
119.04939	1.0
119.08589	1.4
121.06520	1.7
121.10117	0.9
123.04418	1.4
129.06955	2.3
131.04921	1.2
131.08522	1.4
135.08044	1.3
137.05963	2.7
138.05501	6.0
138.09131	2.3
140.04666	2.0
145.32629	0.9
147.04338	1.1
147.18301	0.8
150.09178	0.9
151.03883	1.3
151.07523	1.8
153.01843	1.1
153.05516	1.5
155.07053	2.1
157.06494	1.2
159.07983	0.8
161.05988	6.4
161.09604	1.6
163.07533	1.4
165.09154	1.1
166.04979	6.8
167.07019	11.8
174.06711	0.9
175.07607	2.2
177.09134	1.1
179.08398	0.9
181.08577	8.8
182.07378	1.0
187.07523	0.9
189.09116	9.5
195.08023	1.1
197.09639	1.4
207.10103	2.3
219.10168	2.4
223.07594	0.9
225.09091	2.0
229.05031	1.0
255.10072	1.3
257.04434	1.7
257.12878	2.3
258.05209	9.3
259.05612	10.4
260.05835	12.6
260.12762	1.0
272.11569	3.4
274.09674	1.8
275.13895	1.8
283.09656	1.2
285.12238	5.5
286.04715	18.1
286.10968	0.9
287.05011	17.4
288.05225	33.5
301.07031	50.2
302.07379	48.2
303.07639	100.0
303.13141	31.8
304.07913	4.1
304.13486	1.0
315.12146	1.2
317.13760	3.1
329.13779	1.4
331.15512	1.1
343.15381	3.1
359.14819	1.5
360.15512	3.7
361.16415	11.7
435.19681	1.1
465.12314	1.9
465.18484	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1178
Annotation	Isohydnocarpin
Peak:m/z	Relative Intensity
52.21595	0.6
53.26741	0.6
67.05482	2.9
69.07041	1.0
71.51474	1.2
79.05481	1.6
81.03401	2.2
81.07034	1.9
83.04959	1.6
83.08607	0.9
83.09641	0.6
85.02872	0.8
90.46746	0.6
91.05464	4.2
93.07025	2.2
95.04939	2.0
95.08582	2.0
97.06506	1.1
105.07001	1.1
107.08575	1.3
111.04362	0.8
117.06973	0.8
119.08554	2.7
122.03616	0.6
123.04396	0.8
123.07976	0.7
126.76096	0.7
135.08022	1.1
137.05930	4.1
147.04390	1.6
149.09482	0.8
153.01813	17.7
157.10161	0.8
161.13403	0.7
163.11081	1.0
165.09044	1.1
193.12230	1.7
203.03427	1.4
205.04796	0.9
205.06577	0.8
206.07193	0.9
207.08026	0.8
211.13138	0.8
213.05496	0.6
227.03725	0.6
229.04898	0.9
234.06746	1.0
235.07494	1.1
237.05482	0.9
241.04871	0.7
252.07712	0.7
257.04449	1.6
258.05188	4.8
263.06931	0.7
265.05090	1.0
266.05936	1.0
267.06427	1.0
269.04340	0.8
271.06027	2.4
272.06604	1.0
279.06396	1.0
280.07346	1.6
286.04678	6.1
287.05191	0.9
295.06006	0.8
297.04010	1.4
298.04837	1.0
299.05493	2.5
300.06125	1.1
301.06732	0.8
303.07602	1.5
309.03955	0.6
310.04825	0.9
311.05447	20.9
319.09698	0.7
323.05457	1.1
325.62930	0.6
329.07968	1.5
333.07806	0.9
339.06332	0.8
347.09219	2.3
357.07791	1.1
358.08276	2.1
359.09195	6.4
360.06204	0.7
361.07132	5.0
369.07455	1.4
374.07941	1.2
375.08557	9.0
376.09268	5.1
385.06995	1.3
386.07819	4.6
387.08652	7.3
389.06738	1.0
391.08032	3.0
397.07309	1.5
403.08112	29.2
404.08728	4.6
413.06805	1.0
414.07129	3.9
415.08102	9.7
415.13254	0.8
416.08801	2.6
419.07516	17.8
420.08325	10.3
421.08450	0.8
431.07623	9.0
432.08383	72.7
433.08676	5.2
435.10718	45.9
436.10995	2.7
447.04160	1.2
447.10721	93.0
448.10989	6.6
465.11783	100.0
465.25351	2.3
466.12143	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	465.1424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.5
55.01863	0.8
56.96567	0.7
57.03415	1.0
58.99564	0.9
61.02913	1.5
62.99071	0.6
67.05480	0.7
69.03417	2.9
70.96499	0.9
71.01337	0.9
71.04985	0.5
73.02905	0.7
74.99067	0.8
77.00624	0.5
79.05486	2.9
81.03431	2.2
81.07052	0.5
83.01343	1.0
85.01118	0.9
85.02902	6.8
86.99055	1.5
87.04469	0.6
89.03891	0.6
89.07186	0.4
91.05095	0.4
91.05492	4.3
93.07050	2.2
95.04960	1.3
97.01102	1.5
97.02905	2.6
99.02663	0.5
99.04478	0.5
103.03936	0.9
103.05479	2.6
105.07034	5.1
107.04951	2.6
107.08585	0.8
109.02867	1.2
109.06566	0.6
111.02635	1.5
111.04411	0.5
113.00558	0.4
115.05455	6.7
117.03397	1.0
117.07014	6.7
119.04900	1.2
119.08575	2.3
121.06499	1.8
123.04449	0.8
125.02396	0.6
125.04236	0.6
127.02151	0.7
127.03886	1.5
128.06175	2.2
129.06998	3.4
131.04924	1.7
131.08586	0.8
133.06483	3.5
134.94746	0.4
135.02644	2.6
135.04413	1.6
135.08041	0.7
137.04221	2.9
139.02101	0.6
139.03891	2.1
145.02794	0.7
145.04933	1.0
145.06471	4.2
147.02605	0.8
147.04405	1.0
147.08018	1.8
149.04169	0.7
149.05965	0.9
151.03867	0.9
151.05766	1.4
151.07574	0.5
153.05435	0.4
157.06509	2.0
159.04422	1.4
161.04218	1.9
161.05951	2.0
163.03888	7.4
163.07501	1.1
164.04178	0.7
165.03647	1.3
173.04666	0.4
173.06010	3.0
175.07509	2.8
177.00728	0.5
177.05443	1.5
179.05254	2.1
179.07043	1.1
183.04689	0.8
185.06007	1.7
189.03679	1.8
189.05307	0.6
191.01627	0.8
191.07021	1.9
197.06320	1.7
201.05550	0.7
203.07019	2.5
205.03151	0.5
205.08670	0.8
207.04793	2.4
217.03111	0.6
217.08588	1.8
225.05785	1.9
226.61652	0.5
235.04276	1.3
237.02927	0.6
237.05577	0.4
241.05379	0.5
253.05301	2.5
269.03229	1.0
271.06314	5.9
285.07883	5.0
287.04382	0.8
303.08945	100.0
304.09204	2.2
305.74451	0.5
311.04407	1.2
361.86316	0.4
465.14246	6.0
465.19928	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1177
Annotation	Hydnocarpin
Peak:m/z	Relative Intensity
58.77260	0.3
58.81083	0.3
60.78630	0.3
67.05492	0.4
69.24617	2.5
71.23700	0.3
71.46458	0.3
71.47381	0.3
77.16766	0.3
79.05488	0.5
81.07017	0.5
83.71692	0.2
84.52184	0.3
91.05434	1.2
94.15361	0.3
95.04904	0.4
102.04649	0.4
103.05465	0.3
104.09005	0.3
105.06973	0.5
110.03600	0.5
118.13246	0.3
119.04883	0.9
123.04385	1.0
130.04205	0.4
131.04878	0.6
135.04359	0.5
136.05130	1.1
137.02295	0.4
137.05905	0.4
138.06702	0.8
146.03561	0.4
147.04370	1.0
148.05162	1.0
153.01820	2.6
156.19519	0.3
160.67409	0.3
161.05978	0.4
166.06212	0.6
170.60175	0.3
171.02840	0.4
186.52823	0.3
203.03345	7.2
213.05389	0.6
229.04947	7.5
229.07196	0.3
231.51949	0.3
241.04926	1.0
242.05714	3.3
253.04927	0.5
257.04416	94.6
258.05051	5.5
269.04517	0.5
270.05197	0.8
271.05966	0.5
271.94467	0.3
285.03894	5.0
286.04688	8.9
287.05447	9.5
295.06003	0.6
297.03906	7.2
298.04355	0.4
299.05524	0.7
311.31577	0.3
327.05023	0.9
373.06848	0.5
375.08649	1.3
391.07925	1.4
392.08817	0.3
403.08102	2.5
419.07596	0.7
420.08456	0.4
432.08557	1.4
435.10641	5.7
436.10443	0.3
447.10678	2.0
465.11768	100.0
466.12152	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	465.1178
Annotation	Hydnocarpin
Peak:m/z	Relative Intensity
58.32484	0.3
64.77473	0.3
66.39367	0.4
67.01859	0.4
71.29939	0.7
71.30258	0.4
83.80992	0.3
91.05470	2.0
102.04628	1.6
107.04895	0.5
110.03648	0.7
119.04916	1.4
123.04404	0.5
130.04099	1.4
131.04932	0.4
135.04366	1.0
136.05139	1.1
137.05960	1.2
146.03635	2.9
147.04390	3.5
148.05186	3.9
153.01814	4.5
161.05969	3.2
162.06734	1.0
163.03847	1.1
169.33348	0.3
177.53459	0.4
198.90364	0.3
203.03333	4.3
213.05470	0.5
214.06029	0.4
229.04945	6.0
241.04919	0.7
242.05724	11.1
243.05933	0.4
253.04990	2.9
255.06297	0.4
257.04428	49.8
258.05194	20.0
259.05594	1.0
269.04410	1.7
270.05206	2.9
271.06027	1.8
283.06104	0.6
285.03922	7.2
286.04697	32.9
287.05453	14.9
288.05823	0.7
295.06113	0.8
297.03906	4.7
299.05511	1.8
300.06174	0.6
310.04721	0.4
327.04904	1.2
341.06622	1.1
363.45474	0.4
373.07120	0.7
387.08694	0.8
389.06418	0.4
391.07953	0.5
403.08157	1.5
421.09308	0.5
432.08496	2.3
435.10632	3.7
447.10690	14.5
448.10892	1.0
465.11786	100.0
466.12119	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	464.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	0.4
56.05031	0.4
58.06627	0.4
60.08163	7.0
67.05501	0.4
69.07071	0.3
70.12514	0.6
71.07373	3.3
77.32027	0.2
79.05485	0.9
81.07053	0.4
83.05001	0.2
86.09706	32.5
87.10047	0.2
87.89771	0.1
91.05481	0.5
93.07059	0.4
95.04972	0.2
95.08604	0.3
98.98463	3.0
104.10748	4.0
105.07036	0.3
112.96899	0.1
116.99699	0.2
119.08545	0.2
125.00005	23.0
131.04947	0.2
147.11627	0.2
163.01590	0.2
168.68958	0.1
184.07343	100.0
185.07695	0.7
200.20201	0.1
258.05060	0.2
258.11157	0.2
259.05515	0.2
273.02621	0.1
281.17426	0.3
286.04901	0.2
287.05023	1.0
301.07031	0.9
302.07474	1.8
364.46906	0.1
446.22845	0.9
464.19061	0.2
464.24103	3.6
465.24030	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1025
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
52.18924	0.3
53.03924	0.6
55.01873	0.6
55.05524	0.4
57.03421	1.1
61.02928	1.9
65.03934	0.4
67.05527	0.5
68.99789	0.6
69.03426	3.0
69.07054	0.3
70.06568	0.6
71.04973	0.6
71.47160	0.4
71.47477	0.3
77.17262	0.3
79.05486	0.5
81.03429	1.8
81.07046	0.5
84.08109	0.5
85.02906	8.9
86.09695	0.6
87.04451	1.0
91.03971	0.4
91.05488	0.4
93.07049	0.7
95.04941	0.4
95.08594	0.5
97.02900	4.0
99.04449	0.6
107.04972	0.5
107.08563	0.6
109.02876	1.6
111.00789	1.1
120.08100	0.5
121.02845	1.3
123.04477	0.3
127.03902	1.7
131.79909	0.3
137.02327	3.9
137.03319	0.5
137.05981	0.6
143.10608	0.4
145.04970	1.3
149.02341	0.6
149.24434	0.4
153.01825	5.7
153.12773	0.5
155.04854	0.5
161.06026	0.6
163.03888	0.9
165.01849	2.6
173.05984	0.5
182.15411	0.4
183.02917	1.4
201.05473	2.7
205.04846	0.3
210.14870	0.5
229.04941	6.4
238.16040	0.9
238.66066	0.7
239.15961	0.4
245.04459	0.6
247.06099	1.1
257.04401	4.2
259.06046	2.3
271.44550	0.4
274.04724	0.8
275.05539	2.0
285.03918	2.3
303.04984	100.0
304.05359	2.2
362.67523	0.3
375.37616	0.4
403.77701	0.4
465.17188	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.5
55.01872	9.2
58.06585	15.9
60.04523	8.2
61.02930	6.9
65.03926	4.4
67.05494	8.2
67.38373	3.8
69.03434	21.9
69.36671	16.5
69.37096	23.1
70.06583	7.9
71.04961	5.5
73.05306	5.4
74.06062	9.1
75.05594	6.9
76.07647	23.7
79.05487	34.6
80.05022	4.8
80.05846	5.0
81.03400	7.0
81.07044	14.8
82.06586	8.0
84.04489	14.8
85.02910	39.6
86.06017	4.4
86.09717	4.7
91.05477	21.4
93.07026	9.2
94.06575	9.2
95.04954	17.4
96.04494	5.2
97.02902	20.2
97.06499	5.3
105.07031	5.9
106.06520	10.6
107.04953	63.4
108.05268	12.4
108.08102	8.9
109.02914	6.1
109.06511	10.2
110.06016	6.8
112.03966	9.0
118.06533	9.4
119.04902	11.6
120.04472	4.3
120.08084	13.0
121.06471	9.0
122.06030	15.6
123.04368	8.9
125.02288	5.7
125.05977	4.3
126.05492	10.1
127.03912	10.6
128.03435	14.5
131.04912	11.8
132.08070	10.3
134.05989	7.1
135.04375	9.0
135.08034	5.6
136.03900	5.8
136.07552	12.2
137.05927	8.1
138.05466	5.6
139.03885	10.5
144.06557	7.4
145.02779	5.0
145.04997	9.3
145.06540	3.9
146.06056	5.5
147.04395	9.8
148.07545	6.2
149.02362	7.7
149.05980	9.3
150.05502	4.6
150.09154	6.9
152.07039	11.1
160.06174	6.3
160.07515	9.2
160.16055	4.2
161.05916	6.6
162.05534	5.7
162.09122	7.1
163.03879	8.0
163.07616	7.1
164.07047	12.1
165.05472	11.9
168.06610	5.1
175.03857	5.1
176.07063	8.9
177.05525	10.2
178.08647	12.5
179.07082	9.8
181.05019	6.4
186.07626	9.8
188.07045	12.1
189.07307	4.6
191.06895	5.3
193.04858	6.6
194.08234	5.0
195.06421	6.1
196.09692	12.9
204.08702	5.8
206.08191	18.8
207.06561	11.4
211.05936	6.6
214.10738	7.0
220.09634	6.3
224.09149	51.9
234.07729	8.4
236.09221	6.1
238.10718	18.7
240.08577	8.1
242.10248	57.0
248.09264	12.5
249.09419	4.5
252.08640	10.2
256.11752	32.3
266.10220	46.4
267.10715	10.7
268.11838	9.1
270.13217	6.1
271.64493	4.7
284.11249	100.0
284.14230	7.9
285.11710	4.5
302.12317	14.0
303.04980	67.0
321.18076	5.1
464.17532	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.4
55.01862	1.6
56.05039	2.9
56.34676	1.1
57.03429	2.9
58.06599	5.8
59.05003	3.1
60.04518	4.3
61.02911	5.0
65.03931	1.5
67.05502	3.5
68.05025	2.1
69.03436	14.9
69.94193	3.7
70.06592	2.7
71.04980	1.7
74.06081	12.4
79.05489	8.2
81.03412	5.7
81.07082	1.6
82.06577	5.4
82.24888	1.0
83.04974	1.3
84.04502	41.5
85.02384	1.4
85.02902	25.8
86.06065	9.5
87.04461	2.6
88.07629	19.8
91.04990	1.2
91.05465	7.5
93.03371	2.0
93.07026	1.9
94.06561	12.8
95.01316	2.3
95.04966	9.4
95.08570	1.2
97.02892	25.7
98.20853	1.4
99.04455	1.4
102.05545	1.9
105.03363	1.3
105.07030	1.7
105.67014	1.2
106.06548	19.6
107.04950	6.7
108.08116	2.6
109.02883	4.3
109.06511	1.6
110.06035	4.7
111.04436	2.9
112.03966	36.2
112.07590	2.9
116.07089	2.0
117.05780	2.1
117.07005	1.6
118.06544	2.9
119.04929	3.9
119.97880	1.0
120.04460	4.2
120.08102	3.0
121.02870	11.6
121.06528	1.2
122.06023	3.7
122.09676	4.2
123.00806	5.5
123.04420	5.8
124.07596	3.5
125.02420	1.9
126.05530	4.7
127.03938	4.2
128.03453	2.3
132.08092	5.3
133.02856	1.2
133.06458	1.1
133.41176	1.0
134.06021	20.4
134.09657	5.0
135.04425	9.2
136.03918	2.2
136.07570	4.9
137.05986	1.8
138.05475	7.4
138.09126	1.6
139.03906	19.3
141.01811	1.4
144.04442	4.1
144.06561	36.7
145.02892	2.2
145.04991	2.2
146.05968	5.5
147.04402	2.4
148.03947	1.6
148.07593	4.8
149.02339	26.8
149.05977	2.8
150.05498	2.0
150.09131	9.6
151.03896	4.2
151.07555	1.9
152.07045	14.2
153.05461	6.8
154.04971	2.4
155.03340	1.4
160.07578	10.0
161.06026	2.4
162.05505	11.6
163.03909	9.2
164.07089	7.2
165.05515	7.1
166.04991	4.5
166.08644	2.3
167.03363	11.6
174.05530	4.5
176.06909	1.3
177.05499	5.1
178.08640	29.4
179.03442	1.3
179.07043	5.4
180.06554	4.7
180.10144	1.8
181.04942	8.4
182.08191	2.0
182.11678	1.1
184.05962	2.0
188.07062	7.1
189.05382	1.6
190.05025	3.3
190.08685	1.8
191.03375	17.3
191.07141	1.2
192.06558	6.1
192.10196	13.6
193.05099	1.7
194.08165	3.8
195.06578	3.3
196.09662	3.9
205.04967	3.9
206.08127	13.2
207.06544	3.4
208.06148	3.0
208.09621	1.7
209.04459	8.0
210.07684	3.1
210.11336	3.7
212.09181	2.3
216.06555	2.6
220.09630	2.6
222.07635	7.2
223.06010	10.1
224.09157	6.8
225.04533	1.2
226.07129	1.5
234.07635	7.8
236.21504	1.3
238.10745	7.4
240.08659	44.8
240.12383	4.2
241.07053	10.2
248.09314	1.5
249.07533	1.6
252.08655	11.2
254.10269	1.8
256.11713	8.1
266.10245	26.5
267.08600	1.8
268.11801	4.6
270.09695	4.3
284.11285	100.0
286.12875	1.2
302.12302	32.7
302.15579	2.4
446.16757	1.3
464.17545	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	463.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.0
55.01869	1.4
55.05510	11.1
57.03434	2.6
57.07070	3.3
58.60593	0.6
59.04992	2.1
61.02919	1.9
65.03929	0.9
66.82684	0.6
67.05498	17.8
68.22908	0.6
68.84665	0.7
69.03425	14.3
69.07057	5.8
69.98850	2.2
69.99255	1.0
71.01340	0.7
71.04986	9.2
71.08651	0.9
73.02881	1.2
74.70078	0.6
79.05478	7.2
81.03419	5.0
81.07048	100.0
82.07394	1.0
83.08615	2.6
85.02898	28.8
85.06545	5.7
87.04480	1.1
89.06036	2.6
91.03960	0.7
91.05466	2.6
93.07038	11.3
93.07568	0.9
95.04959	7.3
95.08596	19.9
97.02885	27.3
97.10154	9.2
98.20872	0.9
99.04469	2.3
99.06354	0.6
99.08096	2.4
105.07036	4.0
107.08589	5.0
109.02866	3.7
109.06527	3.6
109.10148	3.1
111.04450	0.7
111.08076	4.4
113.06023	1.4
113.09602	1.5
115.03942	1.4
121.10150	3.0
123.08083	1.2
123.11694	87.9
124.12073	1.7
127.03894	5.4
133.10135	4.4
139.11172	1.5
141.12732	3.7
145.04953	2.2
148.90143	0.6
149.09627	1.4
151.11166	16.2
169.04974	0.7
169.12225	48.6
170.12630	0.8
187.13280	31.8
215.71632	0.6
219.13867	0.7
237.14767	0.8
253.14348	1.3
265.14362	1.4
283.15387	3.6
301.06955	2.1
301.16428	36.7
302.16800	1.0
331.17392	1.2
419.75446	0.6
438.37234	0.7
460.12384	0.8
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
53.03933	7.1
53.82630	1.6
55.01871	13.4
55.05509	38.9
57.03437	13.9
57.07063	3.5
59.04993	3.9
65.03929	2.9
67.05504	77.3
68.37701	1.8
69.03422	3.3
69.07066	14.9
71.01337	6.4
71.04984	10.1
71.51425	2.4
71.51837	3.1
71.57083	1.9
75.60963	1.6
77.24136	1.9
79.05492	74.1
81.03416	21.9
81.06600	3.2
81.07056	50.2
83.01343	9.8
83.04981	26.5
83.08617	13.9
83.25315	1.6
85.02893	5.3
85.06532	5.1
86.09692	2.1
91.05479	46.9
92.05824	2.3
93.07039	80.6
95.04972	16.6
95.08604	21.6
97.02865	5.2
97.06533	16.5
97.10150	11.9
99.04433	3.3
99.08104	3.2
103.05467	2.0
105.04472	1.9
105.07021	20.2
107.04945	11.8
107.08588	52.0
107.55399	1.9
109.06491	7.8
109.10143	10.8
110.71456	2.0
111.04414	4.8
111.08075	3.0
117.07016	14.3
119.08576	14.3
121.06483	6.5
121.10131	13.9
123.04375	2.4
123.08082	8.9
123.11702	2.2
125.05991	3.3
125.09622	4.9
129.07007	4.6
130.07742	3.9
131.08606	6.2
133.10107	9.8
135.08057	3.4
135.11690	73.2
137.09604	1.9
139.07626	2.1
143.08551	2.5
145.10114	28.8
147.00826	1.8
147.08061	3.6
149.13246	2.0
151.11136	2.1
153.12689	9.0
155.08524	2.7
163.11179	35.8
169.10149	2.0
173.09543	5.3
181.12247	13.6
184.07320	3.7
191.10626	3.3
192.46892	1.9
198.18912	1.8
199.13222	2.4
209.11694	9.1
227.12762	8.6
229.14302	2.9
258.05255	20.5
286.04688	35.1
287.05334	3.2
301.07040	100.0
302.07324	6.2
334.44003	1.9
431.07602	2.5
436.81665	2.1
463.26828	61.5
464.26965	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	463.1231
Annotation	6-C-Methylkaempferol 3-glucoside
Peak:m/z	Relative Intensity
69.54456	0.8
69.54887	1.1
87.50008	0.3
90.63118	0.2
140.30452	0.2
184.74382	0.2
229.04893	0.3
258.05243	12.3
259.05649	0.4
286.04709	28.3
287.05038	1.1
301.07056	100.0
302.07425	1.8
307.16266	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03972	0.2
55.05502	0.5
55.71321	0.1
57.57026	0.2
67.05502	0.8
69.03426	0.6
69.07073	0.2
71.04987	0.4
71.25361	0.4
78.15913	0.2
79.05506	0.2
80.37032	0.2
81.07065	4.2
83.08627	0.3
85.02457	0.2
85.02911	1.2
85.06522	0.2
93.07049	0.4
95.04978	0.3
95.08599	1.1
97.02896	1.1
97.10152	0.4
100.11263	0.4
105.07059	0.2
107.08607	0.4
115.95062	0.2
123.11709	3.6
137.06013	0.3
149.05978	0.2
151.11223	0.6
153.00693	0.2
153.01842	0.5
169.12276	1.9
187.13310	1.1
194.07367	0.2
229.04892	0.4
258.05246	18.2
259.05551	0.9
286.04727	40.1
287.05069	2.2
301.07068	100.0
302.07394	6.0
316.02179	0.2
463.12061	0.4
463.24860	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03416	0.6
57.35137	0.3
69.03421	1.9
69.33886	1.2
69.34308	2.1
70.06595	0.4
71.04979	0.3
73.95190	0.4
79.05478	0.8
81.03419	0.5
81.07056	0.5
85.02912	1.8
86.00660	0.8
87.04477	0.5
88.00244	0.6
89.38584	0.4
91.05506	0.9
94.06580	0.4
97.02871	1.1
98.20679	0.6
98.66660	0.3
104.05840	0.3
105.07024	1.3
106.06553	0.6
107.06858	0.3
107.07353	2.8
109.02847	0.4
112.06243	0.3
117.05763	0.5
121.08959	0.4
122.09670	9.6
124.03945	3.7
124.40192	0.3
125.04247	0.5
126.05491	0.5
131.04906	0.4
132.08144	0.5
135.06805	1.0
138.05423	0.6
150.09138	100.0
151.09474	0.8
164.10762	0.5
167.07091	0.4
168.10197	6.8
181.11072	0.4
181.97423	0.4
184.02257	0.8
205.38579	0.3
229.03455	0.5
230.02838	0.8
246.14902	0.4
254.06584	0.7
254.13934	0.7
291.59518	0.3
298.07742	0.5
300.07227	2.3
330.15485	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	461.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66532	2.0
53.03933	7.6
53.56738	2.1
55.01867	10.2
55.05510	33.5
57.03431	11.1
57.07077	3.0
65.03915	6.1
67.05499	92.7
69.03404	4.4
69.07066	24.8
69.77266	6.3
69.77684	7.1
71.04987	4.9
74.09675	3.1
77.51708	2.0
79.05488	76.1
81.03413	50.1
81.07049	77.9
83.04972	16.5
83.08620	20.0
85.02886	2.1
85.06538	4.1
91.05473	74.7
93.07037	74.8
95.04961	37.5
95.08596	29.8
97.06522	11.2
97.10169	11.2
98.20778	2.8
101.78092	2.0
105.04520	3.6
105.07025	44.7
107.04948	15.1
107.08588	38.4
109.06485	10.3
109.10146	14.1
111.08072	7.5
112.32318	2.3
113.00027	3.3
115.05421	2.2
117.07008	21.6
119.08588	27.1
121.06497	9.6
121.10136	17.8
123.08069	7.2
125.09621	7.5
128.06244	4.5
129.06990	23.5
131.08553	28.2
133.06479	5.3
133.10106	19.9
135.04410	2.3
135.08040	5.6
135.11690	20.3
137.09596	2.5
141.06972	5.7
142.07806	2.6
143.08575	10.8
145.06516	6.8
145.10091	12.9
147.08052	10.4
147.11693	21.2
149.09612	9.3
149.13249	15.9
155.08548	7.8
157.10143	10.3
159.08000	5.8
159.11719	12.7
161.09624	3.6
161.13263	7.2
163.11176	5.6
165.09109	6.4
167.08571	4.3
169.10092	6.1
171.11626	13.4
173.13211	2.9
175.11198	7.2
177.12718	6.4
181.10039	2.8
183.11734	3.8
185.13260	5.2
189.11183	4.7
189.12755	5.0
193.10741	2.1
193.12262	17.0
195.13837	4.0
197.13237	3.1
199.14870	3.0
205.12259	2.6
207.12079	2.2
207.13741	10.3
211.11154	3.0
215.14311	3.1
217.15752	3.8
233.15427	3.0
239.14310	3.6
249.14912	2.5
253.15767	2.1
266.75381	2.1
275.16348	2.3
333.22195	4.0
341.24670	6.0
343.22629	2.9
347.53137	2.2
351.23184	11.3
369.24173	16.7
387.25388	11.6
405.26462	4.0
417.26443	6.2
425.26483	2.6
443.27896	23.3
461.28946	100.0
462.29034	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	463.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
69.39214	0.3
69.39634	0.4
74.83516	0.1
79.19062	0.1
85.02925	0.1
94.83482	0.1
108.72703	0.1
138.64185	0.1
143.56944	0.1
149.05998	0.1
153.01787	0.7
229.04858	0.5
252.64273	0.1
257.04501	0.2
258.05219	19.9
259.05627	0.2
262.55161	0.1
286.04688	43.9
287.05023	0.4
301.07031	100.0
302.07397	1.6
463.12347	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.9
55.01862	2.3
55.05497	3.0
56.05030	1.0
57.03416	1.5
59.06109	1.5
61.02930	1.5
65.03940	1.3
67.05476	2.7
69.03429	11.3
69.07046	1.3
69.73428	6.6
70.06593	2.7
71.04980	1.3
72.08155	14.4
73.02931	1.7
74.06071	1.7
74.95435	1.1
79.05484	4.7
81.03386	2.9
84.04489	4.8
84.08129	3.5
85.02891	8.5
85.07653	1.1
86.09706	28.5
89.57752	1.0
91.05477	6.6
93.03394	1.5
93.07020	3.9
95.04964	50.6
95.05575	2.6
97.02885	27.1
102.05532	3.8
103.05457	3.3
105.01864	1.5
105.03385	1.3
105.07021	6.8
107.04946	11.7
109.02862	2.4
109.06528	4.1
111.04440	2.9
113.02351	1.3
115.05444	2.9
117.07001	8.1
119.04913	1.3
119.08595	2.1
121.02853	9.5
121.06514	7.4
123.04424	19.7
125.02345	100.0
125.05991	1.8
126.94817	1.1
127.03942	1.9
128.06192	1.1
128.10695	1.9
129.07008	2.8
129.10211	1.7
131.04938	5.5
133.02873	1.3
133.06541	5.6
135.04408	2.8
136.07538	1.1
137.05957	4.5
139.03899	5.3
145.06503	9.4
147.04399	3.1
147.08003	3.9
148.06010	2.5
149.02336	2.9
149.05946	10.4
151.03903	48.1
151.07472	1.7
153.05443	4.2
155.08246	1.2
159.04353	2.6
161.05930	3.1
163.07465	2.9
165.05457	2.0
167.03398	5.0
167.06969	1.4
169.04945	2.9
173.06004	7.7
173.12817	1.9
174.11285	1.1
175.07518	3.7
177.05441	6.8
179.07008	2.0
181.62885	1.1
183.07681	1.4
183.11285	1.5
185.04454	1.0
187.14397	1.9
189.05469	2.8
191.07024	15.8
193.08615	7.8
195.06573	3.3
197.12840	1.6
201.05424	5.3
201.12354	3.0
217.04971	1.7
219.06499	9.2
221.08105	1.3
229.12012	1.6
235.06038	4.0
237.07617	6.6
245.04593	1.3
247.13008	2.2
261.14389	7.1
263.05515	2.0
263.09204	1.2
281.06543	9.0
281.09430	1.6
296.19586	2.1
299.07626	33.9
299.11023	2.3
461.15207	2.2
461.21371	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	460.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.8
55.01867	2.0
56.53881	0.8
57.03430	6.3
57.07070	15.2
58.99593	1.2
61.02929	8.5
63.04170	1.0
63.04484	14.4
69.03425	16.1
69.96955	1.2
69.97380	2.7
70.06583	1.8
71.04996	2.6
72.08148	1.9
73.02892	4.5
76.87281	0.9
81.03414	7.3
83.01318	1.0
84.04506	1.2
84.08121	2.3
85.02898	100.0
86.00641	5.5
86.09686	3.9
87.04462	2.9
89.06011	0.9
91.03947	4.7
95.04956	1.4
97.02885	28.9
98.07146	1.4
99.04433	5.4
101.09648	1.4
103.03934	1.8
107.04969	1.9
109.02872	8.3
115.03928	1.5
119.10686	87.9
120.10999	0.9
124.03935	13.3
127.02975	1.9
127.03902	23.9
132.01134	2.8
135.48180	0.8
145.04947	43.4
146.05202	1.1
150.09077	1.0
151.03928	1.5
151.09961	0.8
153.05484	1.1
163.06020	16.1
165.05510	1.5
167.03828	0.8
178.08612	0.8
182.02646	5.2
182.04893	2.2
186.10715	1.0
188.43121	1.0
190.08614	0.8
196.09726	0.9
208.02847	1.5
208.09850	1.1
209.03194	1.7
209.10394	2.5
228.03230	11.9
232.67746	0.9
252.06854	3.0
265.16306	1.9
280.06317	1.8
286.07941	1.8
289.09402	1.1
298.07391	11.4
306.17050	1.9
325.11246	1.5
326.11539	1.2
328.09174	1.1
328.12866	1.0
460.13150	3.0
461.13843	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.4
53.48033	0.9
55.01645	0.9
55.01874	7.7
57.03442	5.4
60.04512	1.1
61.02925	4.9
68.99777	3.0
69.03425	23.8
70.06565	1.1
70.12273	4.3
71.04983	4.0
73.02907	6.2
77.95078	0.9
78.55321	0.9
79.05490	2.6
81.03413	28.4
81.07034	1.3
82.06564	1.3
85.02902	70.5
87.00824	26.6
87.01356	1.3
87.04468	1.0
91.03980	1.1
91.05455	1.1
93.07024	1.4
94.06567	1.8
95.04969	1.0
97.02891	29.6
98.06059	1.9
99.04448	14.2
103.05450	6.0
105.01862	27.9
105.07023	2.5
107.04954	8.1
108.04473	9.6
109.02140	1.5
109.02874	28.4
111.04445	1.1
115.03917	2.3
115.05412	1.1
117.01828	3.7
126.05518	4.8
126.09127	1.0
127.03914	57.2
129.01814	3.6
131.04935	1.9
135.08058	5.1
138.09160	4.5
139.03857	3.0
145.04959	28.1
147.02888	2.7
154.06242	27.1
159.02884	17.6
163.07544	23.2
163.08832	1.8
167.07025	2.3
177.03880	1.1
181.04802	1.1
195.10161	100.0
196.10474	1.8
200.12822	2.3
207.10150	1.6
213.03960	2.4
230.06650	3.5
231.05034	14.0
248.07646	4.5
249.06029	1.3
266.08688	2.9
285.11456	1.0
362.17935	1.0
403.06189	0.9
403.11484	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.7
55.01875	0.4
58.99585	4.7
61.02919	0.5
64.03668	0.4
68.05022	0.7
68.48388	0.4
69.03432	1.8
69.54552	0.5
69.54902	2.9
71.04995	0.9
75.02721	0.4
79.05479	1.1
80.05016	0.6
81.03416	0.8
81.07004	0.5
85.01132	3.1
85.02898	3.2
86.00648	26.7
86.99054	3.3
89.24353	0.3
91.05461	0.6
93.07040	1.2
95.04964	4.7
96.04491	5.3
96.08094	0.4
97.02887	4.4
98.20822	0.4
100.02196	1.8
102.03778	2.5
103.05444	1.0
105.00082	1.5
105.26418	0.4
106.06549	2.0
107.04942	2.1
108.04463	0.7
108.86333	0.4
109.02898	0.6
120.64455	0.3
120.85629	0.4
121.06508	1.3
122.02422	1.4
123.04440	1.4
124.03950	100.0
125.04268	0.8
126.05513	1.0
127.03905	0.9
130.06482	0.5
131.01625	0.5
131.04935	0.6
132.01143	8.9
135.02638	0.6
135.04402	1.8
140.03409	3.6
146.02672	0.7
148.07558	0.8
149.05986	4.2
150.05501	0.6
151.03888	6.3
153.05423	1.2
154.03236	1.8
164.01584	1.1
164.05283	0.8
166.03191	1.1
174.05405	0.4
176.07086	1.1
181.03174	1.4
182.02696	25.4
183.02940	0.4
184.04271	3.7
200.03760	0.5
206.06329	1.3
208.04221	0.9
210.02205	0.6
210.05852	2.5
216.04742	0.5
224.07341	2.8
228.03241	41.1
228.59204	0.4
229.03497	0.9
230.04834	1.3
234.05795	3.6
243.79129	0.5
252.06892	34.7
253.07166	0.7
280.06378	4.8
298.07425	95.4
299.07745	1.7
460.12823	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.1
55.01865	0.7
55.05505	0.8
56.92797	0.7
57.03441	1.2
57.30455	0.7
61.02924	1.7
67.80984	0.7
69.03434	8.4
70.06569	0.9
71.04995	16.4
71.49921	1.3
73.02937	1.0
81.03418	6.3
83.05000	1.8
85.02905	10.4
86.09776	0.9
88.21750	0.7
89.06032	100.0
91.05485	3.2
91.36131	0.8
95.04988	1.2
95.06059	0.7
96.04597	0.7
97.02892	33.0
99.04459	6.2
100.18490	0.7
107.04963	2.4
109.02898	10.3
109.16265	0.7
111.04415	1.7
112.39749	0.7
119.04922	5.2
127.03917	14.3
133.06442	0.8
135.06532	20.6
135.07536	1.4
145.04974	13.6
147.04408	41.9
148.04764	1.0
163.06104	0.8
164.07094	0.8
165.05515	2.7
166.23877	0.9
167.07104	0.9
177.07535	0.9
189.05467	3.1
197.08113	2.1
215.09102	1.8
235.09586	0.9
243.08679	2.3
255.06403	0.8
261.09692	10.9
279.10791	3.4
407.13312	1.7
425.14236	1.4
428.64542	0.8
460.18173	1.2
461.19669	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.127
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02400	0.4
53.03941	0.8
55.01876	0.9
55.05496	0.6
56.02675	0.3
58.22911	0.4
58.99581	4.9
61.02903	0.7
65.03926	0.5
67.05480	0.6
68.05013	0.6
69.03409	1.8
69.07058	0.4
70.06597	0.6
71.04976	0.8
71.49798	0.7
79.05484	1.2
80.05006	0.9
81.03394	1.0
81.07043	0.9
84.08141	0.7
85.01122	2.9
85.02903	4.0
86.00647	23.0
86.09677	1.3
86.99026	2.0
87.04465	0.6
91.05471	1.2
93.07047	1.4
95.04962	5.1
95.08595	0.9
96.04491	4.3
97.02880	5.4
99.57977	0.5
100.02178	1.6
102.03780	3.1
103.05441	0.8
105.00092	1.8
105.07030	0.5
106.06542	3.2
107.04969	2.1
107.08621	0.4
108.04421	0.4
109.02876	1.4
109.06551	0.6
111.04459	0.4
115.03993	0.4
121.06514	1.9
122.02431	0.9
122.09689	0.7
123.04426	1.4
123.08056	0.9
124.03944	100.0
125.04294	0.7
125.05980	0.5
126.05496	1.1
127.03900	1.0
127.87527	0.4
131.01593	0.7
131.04930	1.3
132.01140	8.2
135.04430	1.3
140.03407	4.0
140.10687	1.6
146.02698	0.7
146.05981	0.5
148.07582	1.0
149.05968	5.9
150.05508	0.4
150.09091	0.7
151.03914	5.8
153.05434	1.6
154.03230	1.3
154.52548	0.5
158.06078	0.4
164.01566	1.0
164.05275	1.3
166.03185	0.9
176.07033	1.2
178.08514	0.5
181.03175	1.4
182.02698	26.2
183.03079	0.5
184.04282	3.8
196.06015	0.6
196.09662	0.5
197.10037	0.6
206.06404	0.7
208.04219	0.5
210.02350	0.5
210.05817	2.6
216.04674	0.6
224.07414	4.5
228.03244	43.8
229.03477	0.6
230.04842	1.8
234.05838	3.8
252.06892	39.3
253.07222	1.1
280.06384	5.9
298.07422	97.4
299.07864	2.0
458.42819	0.4
459.35165	1.7
460.13263	0.6
460.21155	1.7
460.35370	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1269
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41740	0.7
53.03955	1.0
58.99580	3.3
61.02934	0.9
61.41301	0.6
67.05485	0.8
68.05026	0.7
69.03419	2.7
69.45788	3.6
69.46213	2.3
70.06599	1.1
72.08100	0.7
73.02901	1.5
79.05492	2.1
80.04990	0.8
81.03418	2.0
81.07051	0.8
84.45624	0.6
85.01129	2.5
85.02882	4.2
86.00648	24.4
86.09689	1.4
86.99048	1.7
88.02217	0.8
91.05479	1.5
93.07047	2.5
95.04977	4.0
95.08583	0.7
96.03974	0.7
96.04479	4.2
97.02901	6.3
99.85157	0.8
100.02228	1.0
102.03782	3.3
103.05459	1.5
105.00089	2.0
106.06559	2.2
107.04968	2.4
114.03899	0.7
121.06477	1.1
123.04433	1.9
124.03951	100.0
126.05534	0.9
131.04900	1.6
132.01151	9.2
135.04399	1.4
135.37828	0.7
140.03372	3.7
140.10712	1.2
145.05017	0.8
148.07515	1.3
149.06007	5.5
150.05481	0.9
151.03922	6.0
153.05437	0.9
154.03241	1.0
164.01556	1.4
166.03322	1.1
176.06975	0.9
181.03232	0.9
182.02699	24.2
183.03127	0.8
184.04265	3.3
206.06343	1.5
210.05861	1.8
224.07336	3.8
228.03242	41.3
229.03436	0.8
230.04742	1.4
234.05905	4.1
250.10771	0.7
252.06908	37.7
269.01315	0.9
280.06400	5.7
298.07428	97.5
299.07678	1.8
442.11307	1.1
459.35052	3.0
460.35071	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	6.6
53.66013	0.9
55.01873	9.6
55.05513	26.5
56.64251	1.1
57.03421	3.0
58.12389	1.0
65.03939	2.4
67.05505	34.3
67.50539	1.1
69.03419	4.6
69.07058	8.2
70.95892	2.6
71.04996	1.8
79.05492	35.8
81.03417	77.5
81.07057	32.8
83.04993	8.9
83.08621	21.8
85.02888	1.9
85.06540	1.7
91.05481	42.6
92.64506	1.1
93.07044	23.4
95.04974	28.4
95.08607	15.4
97.02879	2.2
97.06535	4.4
97.10171	15.6
99.08104	1.7
103.05455	1.5
105.07037	27.5
107.04958	19.5
107.08591	14.4
109.06531	6.9
109.10150	7.9
111.04420	2.0
111.08070	7.4
115.05448	5.1
116.06204	1.1
117.07021	11.4
119.08582	21.4
121.06520	10.9
121.10142	7.4
123.04430	3.1
123.08077	4.6
123.11703	1.0
124.03970	1.2
125.05965	1.3
125.09639	10.3
128.06221	3.8
129.07004	17.5
131.04941	5.0
131.08572	15.1
132.94279	1.0
133.06509	7.4
133.10114	12.3
135.08070	5.1
135.11678	2.4
137.05974	2.8
137.09601	3.2
141.07021	3.6
142.07797	3.0
143.08563	5.9
143.10728	1.4
144.05779	1.3
145.06480	16.8
145.10159	5.1
147.04381	1.7
147.08035	7.3
147.11690	13.1
149.05974	1.6
149.09607	4.4
151.07535	3.9
153.09108	2.8
155.08563	4.7
157.06491	5.4
157.10127	12.5
159.08093	5.9
159.11682	2.9
161.05992	4.0
161.09669	2.7
163.11160	2.5
165.09103	4.8
165.12709	2.4
167.07135	2.7
167.08577	3.5
169.10153	3.0
171.08038	5.1
171.11713	3.1
172.05238	1.4
173.09607	1.5
173.13278	1.2
175.07520	2.7
175.11174	12.1
177.12790	1.3
181.10139	2.6
183.08034	2.9
183.11758	2.4
185.09590	2.6
185.13272	2.5
187.11148	1.9
187.14871	1.4
189.11221	5.8
189.12755	2.2
191.08618	1.5
191.10628	1.4
193.12250	40.7
195.08061	1.6
195.11761	2.1
196.15503	1.1
197.09618	2.2
197.13216	2.9
199.11168	3.3
203.14331	2.3
205.12134	2.3
209.13292	1.9
211.11176	1.7
211.13203	2.0
213.12712	3.1
215.14311	4.2
217.12241	1.3
223.11140	2.0
223.13182	1.6
227.14407	2.2
231.13844	3.0
233.15326	3.5
237.12794	1.5
239.14561	1.3
243.13698	1.3
249.14925	4.5
251.14209	1.3
253.15927	1.3
255.13826	4.1
257.15338	2.5
259.13330	1.6
267.15961	2.0
271.17175	1.4
273.14886	13.4
281.15652	1.7
283.17010	1.5
287.16470	3.1
331.20432	1.3
339.23264	5.0
349.21689	9.9
349.56705	1.2
357.24393	4.1
367.22681	31.9
368.23206	2.0
385.23737	36.4
403.24887	9.9
405.24127	1.7
423.25150	2.6
441.26532	5.2
459.27417	100.0
460.27798	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	459.197
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96412	3.2
59.06127	23.6
61.02917	3.0
68.05015	8.8
69.03413	13.1
70.06577	16.9
70.38216	5.9
70.38615	7.8
72.08147	12.2
79.05473	10.3
81.03405	11.6
81.07037	6.1
82.06575	5.3
83.06103	5.9
83.16756	2.9
84.04498	4.1
85.02905	16.1
85.07664	88.4
86.08454	8.1
86.09686	8.0
87.09226	21.9
91.05482	8.1
93.06998	3.7
94.06559	6.3
95.04958	9.0
97.02874	10.1
97.07645	13.7
98.06044	4.3
99.09182	10.1
103.05457	4.9
105.07043	4.6
106.06541	3.8
107.04950	39.3
109.02872	5.9
109.06506	10.2
109.07664	4.0
110.06071	3.7
119.08595	4.9
121.06508	6.0
122.06010	5.2
123.04460	4.5
123.53288	3.6
124.07582	4.4
125.02370	15.5
126.05482	3.2
127.03896	6.0
131.04909	3.9
134.06041	3.2
136.07634	4.9
142.67854	3.3
145.06566	3.7
146.05974	5.2
147.03236	3.2
147.04414	9.0
147.08046	4.6
147.09148	3.2
148.07588	6.8
149.06021	8.0
150.09050	3.7
151.03893	25.8
153.05432	7.5
161.05914	5.3
164.07060	4.6
165.05495	5.7
165.10234	4.8
172.03773	3.1
174.09058	7.1
175.03865	3.6
176.07013	4.3
177.05418	3.2
177.08989	3.5
178.08665	3.6
189.13957	3.4
191.08186	9.2
193.04921	5.3
195.06525	7.0
196.65666	3.4
202.08620	4.0
204.08496	3.6
210.11171	3.7
213.07549	9.3
218.07950	4.3
219.11229	4.7
220.09718	6.2
229.11784	4.7
233.12901	5.4
235.14391	10.7
236.09003	8.0
238.10654	7.5
243.11263	8.5
244.09735	4.7
247.12869	17.5
252.12288	8.4
253.15486	3.5
254.10269	4.9
261.03952	5.7
261.12354	23.2
279.10156	5.4
279.13370	60.8
280.11526	5.5
297.11377	6.4
297.14441	27.3
388.11533	3.5
441.18408	9.4
459.14072	5.9
459.19876	100.0
460.19772	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	459.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.1
55.01859	2.1
55.05513	3.0
56.96553	1.9
57.03438	2.5
64.45150	1.7
69.03428	6.6
71.14646	3.4
72.08136	2.5
73.02908	3.8
74.71311	1.6
76.03652	1.5
77.40218	1.7
79.05489	2.3
81.03445	10.2
81.07024	1.9
83.04992	1.8
85.02907	18.9
91.05483	3.0
97.02904	9.1
97.30072	1.5
98.97573	3.3
99.04451	1.8
101.00860	9.5
105.07029	2.8
107.04967	10.4
107.08591	2.0
109.02870	1.9
109.06524	16.7
113.00863	1.7
115.02448	1.6
116.98648	3.1
119.01926	36.0
119.04911	2.3
121.01649	7.6
127.03909	6.1
131.01904	6.7
133.03488	3.8
133.06488	3.9
135.08038	5.6
137.02956	6.7
137.05972	28.7
142.03551	1.7
143.01868	14.3
145.01703	2.3
145.03435	6.3
145.04971	3.2
151.04274	2.0
151.07581	3.9
155.01878	5.7
157.03461	3.5
161.02966	53.6
161.05627	3.6
162.03043	2.5
163.02721	6.3
170.06071	2.9
171.05157	2.8
173.01131	1.5
173.02972	7.7
175.04494	4.1
179.05502	2.6
179.07033	35.6
181.03493	3.0
183.04996	4.0
185.02982	6.2
185.06572	2.0
195.05077	4.8
197.02971	5.9
197.04768	2.1
197.06573	3.2
198.05486	1.7
201.00737	2.0
201.06168	1.7
203.04031	22.2
205.03818	4.0
207.05019	2.8
209.02968	3.1
209.06622	4.5
211.06303	2.7
211.08081	3.2
215.04063	4.0
219.01840	3.4
219.05046	7.9
221.05054	17.7
223.04628	4.6
223.08119	2.3
225.06140	4.0
233.02945	2.3
234.03375	1.9
235.02742	6.0
235.08040	4.3
237.06107	21.5
244.04320	6.2
245.05064	16.0
249.06094	6.2
251.04004	2.5
251.08035	2.8
253.09387	4.5
255.07231	3.7
261.06082	4.4
263.06058	10.3
267.07147	11.0
270.05804	2.0
273.08224	4.1
279.00360	2.2
279.04349	2.5
279.07129	19.0
285.08353	2.1
288.10574	2.0
297.08289	100.0
298.08475	5.3
299.06161	3.1
307.06729	3.2
309.08066	2.1
311.04544	2.2
311.09753	2.8
315.09454	14.9
320.09814	3.5
321.10278	3.1
327.09363	1.8
336.06924	3.0
339.09460	12.8
348.06900	6.2
351.09332	3.3
357.10437	11.6
363.09207	3.4
369.10315	5.4
381.10281	9.2
399.11331	11.9
417.12436	3.4
427.40894	1.8
451.11624	1.8
459.13284	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	458.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.9
55.21642	0.6
56.05033	1.9
57.03432	1.0
60.61075	0.6
63.95319	0.7
65.92697	0.6
69.03416	1.9
70.06581	1.0
71.04994	1.2
71.50961	1.3
74.06058	1.5
75.37075	0.6
79.05489	1.9
80.04993	1.4
81.03422	1.8
84.04507	3.8
85.02920	3.9
85.43554	0.7
86.06050	1.0
91.05489	1.6
95.04995	1.4
96.04465	1.8
97.02888	2.8
100.07618	1.0
102.05505	1.4
103.05470	1.0
105.07015	1.2
107.04938	2.1
109.02862	1.5
114.05569	0.8
121.06496	0.9
123.04430	1.0
124.03951	32.8
125.02336	1.0
125.04230	0.7
127.03938	1.1
130.04999	14.6
130.85342	0.8
134.06015	1.1
134.84216	0.7
135.04428	1.8
136.03918	4.2
136.07526	0.7
138.05429	0.9
140.03386	1.0
145.05052	0.6
147.04372	0.9
148.07562	0.6
149.05988	2.8
151.03920	2.6
151.07571	0.9
152.07065	4.3
162.05504	6.1
162.09123	3.5
164.03421	9.9
164.07071	4.4
180.06560	56.7
181.06903	0.8
182.04472	4.5
182.08113	5.2
190.04974	7.4
192.06613	1.1
194.20567	0.7
196.06050	1.0
198.07626	1.8
204.10304	1.3
206.08064	1.1
208.06056	15.6
208.09663	2.3
210.07617	2.5
214.08687	0.9
216.06505	1.1
217.08012	0.7
222.11220	0.9
226.07104	57.0
227.07434	1.5
228.08710	1.4
232.09698	2.5
234.07646	1.1
250.10719	15.6
260.09253	2.6
278.10269	6.4
296.11288	100.0
297.11646	4.4
311.21512	0.6
426.13885	0.7
440.15659	0.9
458.16434	3.1
459.12378	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49097	0.9
55.01873	1.0
57.03439	0.8
61.02923	2.1
69.03422	3.6
69.83153	2.7
69.83566	2.2
73.02905	1.5
81.03401	1.9
85.02895	8.0
91.05483	2.1
94.04175	1.3
97.02898	6.4
101.00893	7.9
109.02897	2.1
113.00863	1.9
118.01138	2.1
119.01919	28.6
119.04939	3.4
121.06515	3.7
122.03640	3.0
127.02423	1.0
127.03907	2.2
128.98625	0.8
131.01245	0.7
131.01932	8.3
132.19191	0.9
133.03481	1.2
137.02995	7.0
137.05972	85.6
142.01048	0.9
143.01883	5.0
145.01459	1.1
145.03458	7.8
147.04387	12.0
149.02986	1.1
149.05957	3.2
155.01900	8.0
156.02640	2.3
157.03484	4.7
159.01303	1.1
160.02203	1.4
161.02966	20.4
161.05933	1.9
163.02661	1.0
163.04453	1.7
167.01895	1.2
167.59386	0.8
168.02711	1.2
172.02101	1.4
173.02956	14.7
175.04509	2.8
177.04007	1.5
179.01929	2.2
179.04042	1.4
179.06982	2.7
181.03439	7.3
182.04289	0.9
184.02132	1.0
185.02928	10.7
187.04599	1.8
191.04041	1.5
194.79393	0.8
195.05020	13.4
196.02217	2.5
197.02948	14.3
199.04489	2.4
203.03998	7.9
203.19550	0.8
204.02707	1.5
205.03493	2.0
207.05052	1.0
209.02954	1.4
210.03725	8.7
213.06082	1.4
215.04099	1.5
217.03467	1.1
218.04144	1.4
219.05025	22.8
221.05055	14.1
221.07053	1.2
222.03696	6.8
223.04521	5.6
224.05132	1.8
225.06082	2.1
228.04735	5.0
231.05080	3.4
234.03651	4.5
235.04436	1.8
236.05304	2.4
237.06073	43.9
238.06204	1.5
241.05429	1.5
243.07230	1.0
244.04286	23.1
244.06679	1.6
245.05054	29.4
247.04549	3.8
249.06107	12.3
250.06720	1.2
251.07428	1.4
252.04875	5.3
253.05533	1.5
259.04431	3.4
260.07587	1.9
261.06143	2.6
262.05362	4.6
263.06049	10.7
264.04871	1.2
265.05646	2.2
267.07132	34.4
268.07303	1.7
270.05743	5.3
277.05524	1.5
279.07129	16.1
280.07114	1.0
288.04855	1.7
289.05426	1.1
290.08899	1.4
291.07120	2.7
297.08188	100.0
298.08359	5.4
303.07004	2.0
304.14407	1.0
307.06592	10.2
309.08124	3.7
315.09164	3.3
320.10052	1.6
321.07730	4.8
327.09344	1.5
333.08194	1.5
336.06909	12.4
338.10736	1.3
339.09256	6.1
341.10547	1.1
348.06857	19.9
349.07492	2.0
351.09216	11.9
354.07922	2.4
363.09256	9.3
364.09540	1.0
366.07870	3.9
369.10263	10.1
381.10297	21.7
399.11380	19.6
400.11700	1.5
417.12302	2.0
459.13446	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	456.353
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	1.2
57.07073	30.4
67.05476	1.2
69.07065	4.3
70.58108	2.9
71.08629	44.5
73.06562	6.4
79.05457	0.7
81.07043	1.9
87.04469	2.3
89.06026	100.0
91.05490	1.3
93.07034	0.9
95.08562	1.1
105.07008	0.9
107.07053	4.8
107.08593	1.6
109.10155	1.3
113.13290	5.6
117.09135	4.0
130.08635	2.4
133.08594	47.8
135.10071	0.8
147.63383	0.7
157.15871	7.7
177.11217	17.0
195.12285	0.8
197.52473	0.7
198.18556	1.5
201.18498	11.3
212.95525	0.8
221.13881	3.0
239.14888	2.3
245.21088	7.1
283.17560	1.6
327.20087	7.4
395.30020	1.0
408.74811	0.8
439.32642	13.6
456.35522	2.3
479.43066	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61960	1.3
52.78054	1.4
53.02930	1.5
54.02275	1.5
56.96558	2.9
57.01997	1.4
57.03429	1.4
58.03613	1.4
58.17281	1.5
60.13852	1.4
60.16370	1.3
61.02938	1.5
64.98039	1.4
69.03416	5.1
70.06586	1.4
70.09913	6.6
73.02923	1.5
77.00910	1.7
79.05476	7.1
81.03417	38.4
82.99866	3.2
85.02901	10.1
91.05446	1.6
93.07044	2.0
97.02860	5.4
98.97574	2.9
99.04435	2.0
101.00854	13.1
105.07011	3.2
107.04952	59.4
109.02847	2.7
109.06513	2.0
109.49534	1.5
110.97514	1.7
116.98646	3.4
119.01917	62.7
120.01986	3.1
121.06522	1.4
126.07769	1.4
128.98610	1.7
131.01915	11.8
131.05005	2.0
133.03522	1.9
133.06476	6.9
135.04378	5.9
137.02960	17.7
137.05954	4.1
139.02444	2.0
143.01888	19.8
145.03441	6.6
145.05028	1.6
147.01370	1.9
149.02925	3.3
149.05983	2.1
151.03851	3.8
153.05484	2.5
155.01868	6.9
157.03491	13.9
161.02951	76.4
162.03076	4.9
162.92064	1.5
163.03865	3.6
165.03940	2.1
167.05525	3.7
171.05000	4.5
173.02936	8.1
174.02972	2.1
175.02646	1.7
175.04498	3.1
179.04002	3.8
179.05508	1.8
181.03568	3.6
183.01382	7.0
183.04970	12.3
184.04539	4.3
185.02927	4.3
185.06598	6.8
187.04492	2.2
189.03998	2.5
191.05583	3.9
195.05023	3.0
197.06564	7.8
199.04517	6.5
201.06111	6.4
203.04018	32.5
204.04160	1.5
206.04231	2.0
207.01317	6.9
207.04999	17.5
209.02975	3.6
209.06558	19.6
219.01512	5.5
219.04887	2.4
221.04984	13.7
221.06700	1.6
223.04514	8.8
225.02411	5.9
225.06075	17.5
227.07704	4.2
229.05452	2.3
233.02948	62.2
233.06616	5.3
234.03136	2.8
235.04536	12.8
237.02580	8.1
241.05513	17.1
243.07191	3.2
245.05035	4.7
247.04390	2.1
247.06718	3.1
248.04570	1.9
249.06190	2.8
251.04033	22.2
251.07693	6.7
253.05573	16.2
259.04535	5.5
263.06155	5.3
265.05667	2.3
266.56653	1.6
267.07144	2.7
271.06726	2.9
273.04483	5.8
277.05490	10.5
279.09308	1.8
283.06531	6.9
293.05045	4.2
295.06610	100.0
296.06696	4.3
309.04468	12.6
309.08105	4.0
311.06030	2.3
313.07739	23.4
314.07825	1.9
315.09421	4.2
318.08194	7.2
337.03824	3.0
337.07642	34.4
355.08688	7.1
357.10117	1.8
373.64386	1.7
378.10126	2.7
394.12714	2.7
397.09683	3.2
415.10837	4.2
457.11801	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	456.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	4.5
61.02924	1.9
69.03422	6.8
71.04999	0.8
71.49448	1.0
73.02911	1.3
81.03416	3.0
85.02902	10.2
87.04491	1.1
89.03912	2.5
91.05484	1.0
91.66679	0.9
94.21085	0.8
97.02898	3.6
98.97570	1.7
99.04478	1.1
105.07034	1.0
107.04922	1.7
109.02850	1.7
110.06059	0.9
116.21056	0.8
116.98610	2.2
117.03369	1.8
119.01899	1.0
120.08120	2.8
127.03922	2.5
131.04970	1.1
132.08037	1.4
134.05994	3.2
135.04411	4.0
136.07585	8.0
137.05959	1.8
139.03923	2.4
143.00174	1.4
145.02840	2.6
145.04958	1.6
146.06024	1.9
148.07547	3.3
160.07588	3.8
161.01239	1.7
161.02956	1.5
162.05493	6.1
163.03900	21.6
163.06142	1.0
164.04224	2.0
164.07057	13.8
165.05479	1.0
172.07603	2.2
174.05545	2.2
176.07091	3.9
177.05435	1.7
178.08670	2.5
179.05688	1.1
180.06602	1.6
181.23212	0.9
188.07057	7.9
189.00729	1.2
189.05453	1.6
190.05000	1.7
190.08635	1.1
192.06546	22.4
193.07344	3.9
194.08118	14.2
194.09714	1.3
203.02245	0.9
206.08119	8.2
208.06032	2.9
216.06534	10.7
218.08124	1.1
220.09726	2.4
221.03168	1.3
233.06691	1.0
234.07587	4.9
237.00673	1.5
237.02843	1.6
244.06058	9.9
247.08185	1.0
248.09256	3.6
249.02913	1.2
255.01868	2.7
256.10895	1.0
262.07108	20.4
267.33777	1.0
270.25183	1.1
270.28275	1.0
273.02884	3.1
276.08725	3.5
283.06500	1.0
294.09702	53.0
295.06900	2.1
295.10153	3.2
302.31113	0.9
366.07263	0.9
404.62500	1.0
411.05545	1.3
429.07071	2.0
456.15012	100.0
457.15356	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	455.3519
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05740	2.5
53.03935	4.8
55.05511	29.9
57.03430	15.2
57.07078	3.0
59.58498	2.9
60.36345	2.5
62.23130	3.1
66.22369	2.8
67.05504	75.3
69.07069	27.3
70.83102	3.5
70.83458	7.0
71.04987	3.9
71.37135	2.9
73.32974	2.5
79.05492	38.5
81.03408	5.2
81.07053	95.1
83.04479	2.3
83.04958	3.1
83.08628	13.1
91.05484	31.9
93.06485	5.0
93.07041	58.3
95.04964	36.5
95.08609	100.0
97.06533	4.2
97.10149	7.5
105.06401	4.3
105.07033	47.7
107.04987	4.1
107.07882	5.0
107.08587	65.1
108.09399	4.5
109.06519	10.2
109.10147	52.5
111.08083	54.7
117.07008	8.3
119.08585	55.8
120.96638	66.4
121.06441	4.5
121.10150	44.6
123.08116	3.1
123.11675	14.1
125.09611	5.7
131.08572	18.7
133.10123	40.0
135.08031	3.3
135.11688	24.9
137.09619	4.0
137.13278	4.1
139.11226	4.1
143.08563	3.4
145.10110	30.0
147.11681	51.6
148.03299	2.8
149.09557	4.0
149.13264	39.4
153.09102	3.9
156.97482	7.1
157.10120	3.5
159.11688	26.6
161.02333	10.8
161.13243	33.7
163.11197	8.3
163.14798	25.7
165.12749	41.1
166.13464	3.8
171.11618	3.9
173.13318	17.2
174.98547	9.9
175.14784	17.9
177.12784	4.5
177.16376	30.7
179.14258	6.8
187.14900	21.2
189.16370	51.3
191.14340	5.0
191.17984	15.9
195.00320	6.6
199.14835	4.5
201.16347	31.0
203.17973	45.6
205.15836	13.9
205.19505	9.0
207.17523	13.8
213.00015	9.8
213.16354	5.9
215.17923	10.7
217.19449	4.8
219.17462	7.8
221.19011	8.3
223.13263	10.4
227.17891	3.0
229.19568	2.8
233.19048	4.6
235.16927	7.4
243.21046	4.6
245.46715	3.0
247.16928	4.8
249.18398	8.0
261.22116	3.6
277.21701	4.4
294.21881	9.9
295.22604	6.2
335.25797	85.3
336.26337	13.1
348.05487	2.9
357.23978	32.9
391.33551	7.2
397.30829	5.4
409.34625	53.1
410.35153	3.5
411.36111	3.3
437.23392	26.0
437.33960	21.8
455.21216	41.0
455.35153	26.6
456.21530	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	455.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36887	2.6
53.03940	12.3
55.01860	11.3
55.05511	38.3
57.03428	12.5
57.07069	9.1
61.02914	4.8
65.03916	3.6
67.05505	47.4
69.03426	29.2
69.07069	43.5
70.57451	8.6
71.01364	4.4
71.05005	13.7
73.02900	4.9
77.03919	2.7
79.05064	4.8
79.05493	53.0
81.03426	14.9
81.07052	61.2
83.01367	6.3
83.04983	28.3
83.08616	12.0
85.02896	33.4
85.06538	10.9
91.05479	97.7
93.06487	4.3
93.07047	59.8
95.04968	60.2
95.05562	5.3
95.08610	53.4
97.02901	30.5
97.06532	12.1
97.10160	5.7
103.03967	3.4
103.05473	11.8
103.43258	2.7
105.03382	3.8
105.07030	66.7
107.04948	59.0
107.08588	47.4
109.02882	8.4
109.06515	26.1
109.10155	26.6
111.04433	10.7
111.08080	10.4
111.11701	3.9
115.03915	3.8
115.05477	21.1
115.11321	2.5
116.06235	8.0
117.07013	48.8
119.04891	6.4
119.08554	33.0
121.02822	4.8
121.06499	30.6
121.10126	18.7
123.04441	16.3
123.08044	14.5
123.11707	13.5
125.02347	79.4
125.09615	6.3
127.03924	9.0
128.06206	17.2
129.05490	5.2
129.07002	31.6
131.04929	14.1
131.08563	100.0
133.04977	4.2
133.06500	19.1
133.10132	31.2
135.04401	35.8
135.08061	17.7
135.11691	11.4
137.06001	7.0
137.09621	7.5
137.13257	7.8
141.06981	27.8
142.07774	9.2
143.08543	25.9
144.05653	5.2
144.09380	4.9
145.04942	6.3
145.06473	32.7
145.10147	20.1
147.04433	6.5
147.08046	10.8
147.11711	9.5
149.02397	4.6
149.05983	18.0
149.09616	18.2
149.13261	9.5
151.03900	94.9
151.07449	6.4
151.11154	3.9
153.05466	17.3
153.06955	7.7
154.07777	9.4
155.07372	2.7
155.08536	18.5
157.06493	8.6
157.10107	13.7
159.04443	10.1
159.08055	62.6
159.11661	24.6
161.06010	11.3
161.09622	32.0
161.13246	6.6
162.10088	3.3
163.03859	5.0
163.07527	8.8
163.11250	3.6
163.14856	5.4
165.05511	6.5
165.06918	3.5
165.09111	8.8
166.07747	4.3
167.07121	4.4
167.08575	5.6
168.09364	5.7
169.04951	4.5
169.06432	6.4
169.10124	7.4
171.08083	10.0
171.11679	6.9
173.05934	15.2
173.09619	10.7
173.13239	17.5
175.03862	5.0
175.07567	9.0
175.11136	5.3
175.14796	4.2
177.05490	19.6
177.09116	50.2
177.12633	4.6
179.05602	3.5
179.07024	6.6
179.08466	3.8
181.05037	4.5
181.06487	5.7
182.07312	5.7
183.08131	5.6
183.11702	20.2
185.09665	5.3
185.13179	5.7
187.07558	25.1
187.11226	12.3
189.09154	4.3
191.07013	5.1
191.10544	3.8
191.14314	4.3
193.10155	6.5
195.06555	11.7
196.08830	4.4
199.07582	3.2
201.05484	3.5
201.12740	38.2
201.16435	3.0
203.10666	3.6
203.14352	3.4
205.08595	24.0
205.12177	3.4
207.10130	3.1
211.11186	28.3
213.12697	7.0
215.14282	2.9
219.06511	3.6
219.13675	5.6
223.09738	8.3
229.12244	67.7
230.12630	3.7
231.13875	4.7
237.07564	3.8
239.10707	13.1
247.13364	16.0
255.96092	2.7
257.11691	28.9
263.03369	4.4
275.12839	15.8
275.20044	3.2
293.13818	60.6
403.20892	2.9
409.20938	2.8
419.31320	3.9
455.15933	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	454.2927
Annotation	LysoPE(0:0/16:0)
Peak:m/z	Relative Intensity
54.02463	0.6
55.05502	2.7
57.03444	4.1
57.07079	21.6
62.06091	23.2
62.06416	1.1
65.84741	0.5
67.05501	4.0
69.07070	3.0
69.86201	2.2
69.86610	1.1
71.08633	14.8
79.05491	0.8
81.07059	6.9
83.08630	4.7
85.10183	9.1
89.06024	0.9
90.35970	0.6
91.05445	0.6
95.08611	7.4
97.10158	2.7
98.98477	5.6
99.09761	0.6
102.58977	0.6
105.07069	1.0
108.00341	0.5
109.10144	2.8
123.11700	0.8
124.01631	1.4
137.13174	0.7
141.53610	0.6
142.02673	1.1
155.01022	6.6
181.06500	0.8
195.69644	0.6
198.05261	1.4
216.06325	2.3
225.09152	1.1
239.23788	1.5
256.26450	0.8
257.24878	0.7
275.19876	0.5
282.27908	10.9
292.06143	0.8
305.87683	0.7
313.27371	100.0
314.27695	2.3
378.22980	0.6
393.24115	5.9
436.28207	1.3
454.28461	0.9
454.34344	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1164
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64621	0.6
69.32335	0.6
70.17360	2.2
98.21485	0.8
129.22179	0.8
135.24387	0.6
235.18233	0.7
263.06168	2.4
435.20502	0.7
455.11627	100.0
456.12030	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	455.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02360	5.0
53.03934	9.9
55.01863	15.9
55.05506	35.8
57.03424	11.9
57.07049	9.7
61.02905	6.2
65.03945	7.3
67.05143	3.9
67.05502	58.5
69.03430	26.1
69.07064	39.2
70.82780	8.6
71.01328	5.8
71.04972	13.7
71.08629	2.9
73.02916	7.4
75.20913	3.2
75.95753	3.0
77.03899	3.1
79.05489	67.9
81.03408	21.7
81.07052	76.6
83.01343	6.1
83.04976	33.3
83.08597	11.6
85.02905	36.9
85.06525	12.4
88.25231	2.9
89.57180	2.6
91.05474	98.7
93.07039	59.5
95.04389	4.1
95.04964	65.0
95.08599	67.9
97.02884	31.0
97.06528	16.9
97.10149	8.5
99.08072	4.9
101.02377	3.5
103.05455	18.7
105.03379	5.3
105.07027	73.7
107.04955	65.1
107.08585	61.1
109.02852	13.7
109.06516	31.5
109.10149	34.5
111.04424	12.9
111.08067	10.3
111.11694	5.6
115.03889	6.3
115.05450	15.5
116.06229	9.6
117.07001	48.9
119.04910	6.7
119.08565	31.6
121.02866	5.1
121.06494	28.4
121.10136	22.0
123.04436	16.9
123.08067	13.0
123.11710	16.6
125.02345	88.6
125.05987	6.0
125.09611	7.4
126.02746	3.6
127.03904	7.3
128.06219	17.5
129.05472	6.9
129.07001	34.9
131.04939	17.0
131.08562	100.0
133.04933	3.9
133.06476	25.9
133.10132	29.9
135.04417	31.3
135.08072	20.2
135.11685	12.8
137.05997	9.7
137.09610	7.8
137.13202	9.9
139.00595	2.8
139.03806	4.2
141.06992	26.0
142.07736	8.3
143.08545	27.2
144.05695	9.3
144.09300	3.9
145.05330	5.0
145.06471	31.9
145.10109	21.6
147.04355	9.2
147.08049	11.2
147.11664	10.1
149.02390	3.9
149.05963	21.3
149.09624	19.6
149.13251	11.8
151.03894	99.3
151.07524	4.2
151.11172	4.5
153.05434	21.8
153.06944	10.6
154.07735	5.4
155.07303	3.5
155.08546	23.5
157.06450	5.2
157.10095	12.7
158.07233	4.7
159.04402	10.8
159.08054	72.0
159.11699	27.3
161.05968	13.2
161.09602	31.7
161.13219	11.2
163.03886	7.8
163.07523	10.2
163.11168	7.2
163.14790	6.5
165.05463	8.1
165.06938	7.4
165.09135	9.0
167.07014	3.2
167.08606	6.6
168.09303	12.2
169.05038	6.0
169.06444	5.6
169.10056	6.7
171.08034	8.5
171.11656	6.0
172.08789	4.3
173.05959	11.1
173.09581	11.9
173.13211	19.4
175.03896	3.9
175.07533	10.7
175.11185	4.9
175.14804	5.6
177.05499	23.0
177.09109	57.8
177.12697	8.0
177.16322	3.3
178.07776	3.4
179.06996	9.2
179.83820	3.0
181.06499	5.9
182.07193	5.9
183.07982	6.9
183.11708	23.6
185.05931	5.7
185.09662	7.9
185.13258	10.1
187.07524	32.9
187.11119	15.3
189.09058	5.7
191.07043	7.1
193.05098	4.2
193.10152	10.3
195.06503	14.5
195.08163	3.7
196.08704	5.6
199.11224	5.0
201.09088	8.9
201.12749	40.2
203.14377	4.1
205.08585	23.7
205.12141	3.5
209.11757	5.2
211.11150	30.6
213.09134	4.5
213.12735	4.5
219.06493	6.1
219.13815	9.9
223.09677	5.1
229.12228	78.6
231.10193	5.1
231.13824	6.0
239.10568	9.6
247.13341	22.0
257.11700	31.5
275.12848	21.0
293.13828	70.4
293.28339	3.4
301.17358	4.0
392.21295	2.9
393.77878	3.0
432.37756	3.3
455.14233	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	453.3361
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.0
55.01871	4.4
55.05507	26.0
57.07070	5.0
61.01140	2.6
65.03940	3.6
67.05499	33.1
68.05836	1.5
69.03428	2.6
69.07064	25.7
69.57741	11.5
71.04977	3.1
71.36353	1.7
77.03884	1.9
79.05019	2.4
79.05484	39.6
81.03401	3.9
81.07052	80.3
81.07537	3.9
81.58038	1.5
83.04960	17.5
83.08606	10.6
85.06538	2.8
86.09723	3.0
91.05473	37.4
93.07035	55.7
95.04963	29.5
95.08601	82.1
96.08964	1.8
97.06522	4.4
97.10162	6.0
99.08086	2.4
103.05474	3.3
105.07024	81.0
106.06555	2.2
107.04967	4.9
107.08584	79.7
108.08977	1.9
109.06514	22.4
109.10155	43.9
111.08082	8.4
115.05465	4.4
117.07012	14.2
119.04936	2.3
119.08572	100.0
120.08929	3.7
121.06511	6.3
121.10135	55.8
121.88802	1.6
123.08047	10.4
123.11699	19.1
125.09628	10.4
128.06253	2.1
129.07001	10.0
130.07797	3.0
131.08556	35.3
133.02936	3.3
133.06488	3.4
133.10121	58.6
133.11107	3.4
135.04405	2.3
135.08089	7.8
135.11665	27.0
137.09618	7.1
139.11206	2.6
141.06978	2.1
142.07793	3.6
143.08553	18.8
144.09268	4.5
145.06514	1.9
145.10107	63.5
147.08041	5.2
147.11670	36.7
149.09607	7.1
149.13258	16.5
151.11189	5.1
153.09135	3.9
155.08615	2.5
156.09386	1.8
157.10104	17.7
158.10915	3.8
159.04436	3.2
159.08031	2.9
159.11691	54.1
161.02415	3.8
161.05984	2.0
161.09631	5.0
161.13252	29.1
163.03853	9.3
163.11171	9.3
163.14838	13.6
165.05537	2.1
165.06888	2.2
165.09131	2.6
165.12787	3.0
167.08627	2.0
169.10121	4.4
170.10823	1.9
171.08102	1.7
171.11684	10.1
172.12393	3.4
173.02354	6.5
173.05957	2.3
173.09628	2.3
173.13255	29.7
175.03940	2.1
175.11275	2.9
175.14804	31.0
177.09126	3.7
177.12735	4.6
177.16374	16.9
179.14343	1.7
181.10246	1.8
183.11684	6.1
184.07338	2.2
185.05945	2.2
185.13222	9.7
186.13884	2.6
187.03889	3.2
187.07515	1.7
187.11185	1.7
187.14809	48.9
189.12787	1.8
189.16370	52.8
191.14296	13.8
191.17938	15.3
193.15923	2.7
195.08023	1.9
195.11755	2.8
197.06073	2.1
197.13260	3.9
198.11211	2.5
199.03941	6.3
199.14827	16.3
201.05403	5.3
201.16376	65.3
202.16689	2.8
203.14308	4.0
203.17934	20.2
205.15863	32.4
205.19638	2.2
207.17413	4.4
210.18535	6.5
211.07507	2.4
211.14827	3.2
213.05513	4.6
213.16316	22.8
214.06100	1.6
215.07074	2.8
215.14536	1.9
215.17935	28.4
217.04941	2.0
217.15843	9.5
217.19527	4.7
219.17406	33.5
223.07594	1.5
223.13106	8.6
224.13759	2.1
225.16396	3.8
227.17976	5.6
229.15921	3.3
229.19522	5.6
231.17461	2.5
231.20909	2.2
233.19035	4.7
235.16913	16.5
237.16425	1.9
239.07039	2.4
239.17877	3.9
241.08572	7.5
241.12256	3.8
241.19475	9.6
243.17650	1.8
243.21040	5.2
245.19037	3.7
247.16922	8.9
249.18565	3.0
253.19519	3.8
255.06403	3.4
255.21049	6.4
257.19052	2.1
259.20667	2.8
261.18445	7.8
265.19531	1.8
267.21124	9.6
269.22580	2.5
273.18451	6.6
274.19067	2.3
275.20038	2.4
283.13321	2.7
283.23984	2.1
291.19659	5.1
292.20129	3.1
311.12766	4.7
311.23724	2.4
325.12976	3.5
351.17209	4.5
365.13956	2.4
383.14728	7.7
389.31958	9.9
392.24374	1.7
407.22382	2.1
407.33041	52.8
408.33551	3.2
409.34485	2.8
417.20575	6.0
418.21332	2.0
421.18060	2.6
435.21530	18.5
435.32193	12.2
436.22021	3.1
453.23245	14.9
453.33585	32.8
454.22598	2.2
454.33975	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	453.2268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.3
55.01870	6.8
55.05510	16.0
63.88897	2.4
67.05500	27.1
69.03426	4.4
69.07050	15.2
69.07989	2.4
71.34949	6.1
79.05489	33.5
81.03397	6.6
81.07051	37.5
83.04994	3.0
83.08614	4.9
89.52334	2.4
91.05476	34.7
93.07038	25.9
95.04985	7.6
95.08604	14.1
97.06540	6.2
97.10156	4.9
103.05482	4.2
105.07035	25.0
107.04948	9.9
107.08581	15.1
109.06525	11.9
109.10159	5.5
115.05460	5.4
117.07015	12.5
118.07894	2.6
119.07849	3.0
119.08566	17.6
121.06487	3.6
121.10151	11.2
123.08052	3.5
123.11690	3.2
128.06177	4.2
129.07008	10.6
130.07817	3.3
131.04974	3.9
131.08553	22.2
133.02834	8.9
133.06485	4.9
133.10103	11.1
135.08060	7.9
135.11691	6.0
141.06979	3.5
143.08568	7.4
145.02867	2.8
145.06435	5.7
145.10088	8.3
147.04364	4.1
147.08057	5.8
147.11668	3.8
149.09641	11.6
157.06537	4.6
157.10117	5.6
159.04396	5.3
159.11668	7.5
161.02348	9.5
161.05905	3.0
161.09691	4.1
163.03922	20.9
163.09727	2.6
163.11119	3.6
167.08556	3.0
171.11655	3.9
173.02348	90.6
173.06004	9.9
173.09662	3.9
175.03889	8.4
175.11172	3.0
177.12758	4.3
181.06456	5.5
183.04343	3.2
185.05965	5.1
185.07536	2.3
187.03851	4.4
191.03328	3.0
196.66615	2.7
197.05986	5.5
199.03908	63.1
199.89658	2.8
201.05501	4.8
203.07068	12.3
211.07520	2.7
212.04611	2.8
213.05524	13.5
215.07101	2.7
217.04857	3.2
225.05537	3.4
227.07063	3.5
239.06990	3.2
241.08568	100.0
242.08600	2.9
249.05534	3.4
253.08469	2.9
255.06419	5.0
255.17450	5.7
267.10233	3.8
273.18466	19.3
274.19211	5.7
275.20267	3.4
291.10110	3.8
291.19543	8.8
292.20300	3.0
311.12717	2.8
325.14456	6.1
339.16006	8.4
389.21512	4.4
391.22559	3.6
399.19775	2.9
407.21872	3.8
417.20633	22.9
435.21585	36.8
453.22922	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	453.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	0.6
53.03942	1.5
55.01868	5.0
55.05511	18.3
57.03423	1.1
57.07069	0.9
59.04999	0.5
65.03936	1.2
67.05505	13.5
68.99786	0.7
69.03413	1.8
69.07066	6.2
69.26257	0.4
69.50964	0.5
70.58243	1.7
71.04992	1.4
77.03949	0.5
79.05491	14.4
81.03422	5.5
81.07057	16.1
83.04972	3.5
83.08616	8.5
85.02893	3.0
85.06528	1.1
86.92928	0.4
89.03922	0.8
91.04913	0.7
91.05484	13.3
93.06483	1.0
93.07044	13.2
93.07633	0.6
94.04214	0.6
95.04967	100.0
95.08597	10.0
96.05300	1.1
97.06528	2.3
97.10171	5.9
97.15267	0.4
99.08114	1.1
103.05498	0.6
105.03397	2.4
105.04502	0.7
105.06391	0.8
105.07034	8.3
106.07773	0.5
107.04964	7.8
107.08586	7.8
108.05737	1.6
109.06527	6.7
109.10161	3.5
111.04439	0.6
111.08082	1.5
115.05466	2.1
117.03408	0.9
117.07014	7.6
119.04919	1.1
119.08565	9.5
120.09312	0.5
121.06497	9.5
121.10144	6.0
122.07344	0.5
123.04404	0.8
123.08057	7.3
125.09626	4.3
128.06229	1.3
129.06999	4.3
130.07777	0.7
131.04901	3.3
131.08553	6.7
133.02826	7.2
133.06464	2.3
133.10135	4.8
135.04436	0.7
135.08063	5.3
135.11710	4.5
137.09605	0.7
139.05392	0.4
139.07602	0.5
141.07025	1.3
142.07759	0.7
143.04941	1.3
143.08586	2.5
144.05705	0.6
144.09297	0.6
145.02823	0.8
145.06496	1.5
145.10115	10.4
147.04405	0.9
147.08035	7.3
147.11705	2.1
148.08783	1.0
149.09625	4.2
151.11188	0.7
153.06984	0.7
153.09123	1.9
154.07816	0.7
155.04924	0.6
157.06503	1.8
157.10106	2.6
159.04425	6.3
159.08096	1.1
159.11700	5.4
161.02332	15.3
161.05994	0.7
161.09619	5.4
162.10440	2.4
163.03899	3.3
163.11179	25.6
165.07014	0.6
167.08565	1.0
169.06500	0.7
169.10146	2.1
171.04405	3.0
171.08073	0.5
171.11700	1.4
173.02336	9.1
173.05992	0.8
173.09726	0.6
173.13272	0.6
175.03835	0.8
175.11209	2.1
176.12013	1.1
177.12743	5.2
181.06494	1.4
183.04434	1.6
183.07979	0.6
184.05276	0.7
185.05975	4.5
185.09718	0.7
185.13229	0.8
187.03909	2.9
187.11115	3.2
187.14799	0.5
189.05360	0.6
189.11246	1.9
189.12798	1.0
191.10545	0.7
193.12247	1.2
195.08076	0.7
195.11710	0.6
197.02353	1.4
197.05989	1.7
198.06772	0.5
199.03931	3.2
199.07509	0.7
199.14864	1.1
201.05525	0.9
203.06926	0.8
203.14325	1.0
204.11549	0.5
205.10382	0.9
205.12192	6.1
209.05980	0.8
211.03986	1.3
211.07616	1.2
212.04663	0.6
213.05505	5.1
213.12773	1.2
213.16449	0.7
215.03378	1.4
215.14388	0.7
221.06044	0.6
222.12544	1.7
223.13280	51.9
224.13693	1.2
225.05479	1.9
226.06268	1.8
227.03297	0.5
227.07094	1.5
227.17982	0.6
231.13882	1.3
237.05458	1.4
239.03400	5.4
239.07030	1.5
241.04958	1.1
241.08742	0.6
245.15405	1.6
245.19069	0.9
249.05603	0.6
249.14874	4.7
251.16389	0.6
253.04944	1.1
254.05736	1.3
255.06499	5.3
255.17439	1.3
257.18994	0.6
260.24811	0.5
263.16470	5.6
263.20117	0.9
267.06464	2.5
267.10199	1.3
273.18466	6.1
274.19223	3.8
275.20056	5.6
281.08105	0.7
281.11670	0.6
283.13385	1.7
291.19583	5.8
292.20313	5.2
293.21158	2.2
312.26141	2.1
323.12848	1.0
325.14349	0.8
337.14319	6.0
339.12289	0.7
353.13806	0.8
365.13858	15.1
367.15411	1.3
383.14871	50.3
384.15271	1.6
385.16617	0.7
407.22018	0.9
417.20599	1.7
435.21652	36.7
436.22192	1.7
453.22736	36.1
454.23022	2.1
471.00864	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	8.2
55.01877	8.3
55.05503	35.1
66.70998	4.2
67.05503	52.7
69.07060	28.8
69.83275	9.7
69.83688	17.1
75.59029	3.8
79.05492	59.6
81.03418	6.9
81.07043	56.7
83.05003	4.7
83.08602	14.6
91.05466	65.6
93.07040	66.7
94.13423	5.9
95.04959	21.8
95.08604	29.6
97.06526	10.7
97.10144	10.0
103.05449	7.6
105.03362	6.6
105.07028	56.5
107.04951	26.9
107.08578	32.7
109.06498	20.5
109.10117	12.6
111.08068	6.6
115.05489	7.4
116.06190	5.1
117.07035	32.9
119.04945	5.9
119.08561	34.7
121.06498	28.0
121.10175	23.2
121.83713	5.0
122.07305	6.0
123.08048	13.6
128.06224	12.8
129.06976	19.8
131.04860	8.2
131.08578	53.6
133.06467	17.8
133.10143	25.0
135.08015	17.0
135.11668	12.9
139.33757	4.6
141.07002	7.3
142.07779	5.2
143.08533	17.8
145.06435	8.5
145.10080	34.6
146.10892	8.0
147.04373	8.2
147.08008	19.1
147.11638	13.0
149.05949	7.5
149.09624	25.4
149.13266	5.7
152.06183	5.5
157.10095	15.2
159.07997	7.4
159.11671	22.8
161.02322	6.9
161.09596	21.4
161.13319	4.9
163.03905	66.2
163.11151	19.6
164.12021	9.3
165.05602	4.4
169.10139	5.7
171.11665	13.2
173.02338	76.8
173.05968	10.6
173.09549	6.6
173.13313	5.1
175.03938	8.9
175.11159	8.0
177.12770	24.1
181.06532	5.6
185.13222	5.6
187.03891	11.3
187.07594	5.7
187.11157	8.1
189.09036	6.1
189.12723	10.3
195.08058	5.0
197.06041	9.4
199.03888	50.9
199.11183	7.2
203.07014	7.5
203.14423	5.2
213.05434	13.3
217.05034	5.2
223.11191	5.0
225.05293	6.4
227.17905	7.2
231.17308	5.5
237.16483	5.6
238.06183	5.5
239.06911	8.2
241.08603	94.4
242.39815	4.8
245.19016	21.6
255.06369	5.7
255.17365	16.6
256.18207	5.3
263.16614	4.9
273.18488	73.5
274.19141	21.8
291.19440	27.3
292.20212	6.1
293.11636	5.1
307.71136	5.0
339.15915	9.0
367.15533	9.1
379.15417	7.8
389.21167	8.2
391.18463	5.5
399.19498	8.8
407.22150	21.1
417.20660	62.1
435.21643	100.0
436.21356	8.4
453.22705	42.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.6
55.01872	4.4
55.05273	1.1
55.05513	16.7
57.03428	0.9
65.03937	1.4
65.33131	0.9
67.05183	1.2
67.05507	14.5
69.07068	8.0
69.89117	4.7
71.04987	1.9
77.03905	0.9
79.05489	15.0
81.03416	4.0
81.07059	17.0
83.04978	5.5
83.08612	7.4
85.02913	3.0
85.06536	1.1
91.05479	11.8
93.07043	14.9
95.04967	100.0
95.08605	12.7
97.06533	2.6
97.10175	5.8
98.20744	1.4
103.05467	1.0
105.03407	2.5
105.07030	10.7
107.04940	8.2
107.08595	8.2
108.05751	2.1
109.06514	5.5
109.10135	3.1
111.08067	1.5
115.05466	2.0
117.07026	6.6
119.08567	12.1
121.06488	9.5
121.07292	1.0
121.10126	7.4
123.04501	1.1
123.08040	6.5
123.11715	1.1
125.09622	4.2
128.06265	1.7
129.06984	4.0
131.04927	3.8
131.08594	5.3
133.02834	7.2
133.06474	2.4
133.10117	7.4
135.04399	0.9
135.08083	4.5
135.11702	5.6
141.06981	1.3
143.04906	1.8
143.08566	2.9
143.17560	0.8
145.02898	0.9
145.06464	2.0
145.10129	10.6
147.08047	7.0
147.11714	2.7
148.08839	0.9
149.09645	4.4
149.13286	1.6
150.76511	0.9
153.07045	1.0
153.09094	2.5
157.06520	2.4
157.10127	2.6
158.83797	0.8
159.04373	4.9
159.08011	0.9
159.11716	6.7
161.02341	14.0
161.09627	3.9
161.13255	2.5
162.10400	1.8
163.03920	4.5
163.11185	24.5
169.06535	1.2
169.10191	1.4
171.04454	3.5
173.02364	7.1
173.13263	1.1
175.11121	2.2
175.14841	0.9
176.12010	1.4
177.12733	4.6
183.04512	1.5
185.06000	3.3
185.13213	1.2
187.03905	2.9
187.11237	3.4
187.14847	1.5
189.05434	1.2
189.11246	2.3
189.16397	1.5
191.18060	1.2
199.03911	3.6
201.05446	1.2
201.16402	1.9
203.14259	1.2
205.12242	5.9
211.03888	1.1
213.05446	4.7
215.03430	2.0
215.76047	0.8
217.15967	1.2
219.17433	1.1
222.12462	1.1
223.13283	57.0
224.13768	1.1
225.05498	2.3
226.06302	1.6
227.07100	1.4
227.14258	1.1
231.13805	1.1
237.05444	1.2
239.03326	5.5
239.07089	1.8
239.17764	0.9
241.05090	1.3
245.15427	1.8
245.18996	1.1
246.19780	1.0
249.14874	3.8
252.81024	0.9
255.06523	4.7
255.17433	1.5
263.16434	4.5
267.06607	2.5
267.10187	1.5
273.18484	6.0
274.19354	2.2
275.20068	5.8
283.13303	1.3
291.19467	5.5
292.20319	4.4
293.21127	1.4
309.11035	1.4
323.12891	1.0
325.14017	0.9
337.14090	6.0
353.13760	1.2
365.13867	16.3
383.14877	52.8
384.15250	1.6
407.33368	1.0
417.20282	1.2
435.15598	1.6
435.21692	43.2
436.21979	2.7
453.22739	46.7
453.32791	1.8
454.22998	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	453.227
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75149	1.7
53.03947	6.9
55.01864	8.2
55.05513	18.2
57.07079	2.5
65.03953	3.2
67.05508	31.9
69.03408	2.4
69.07060	9.5
69.54142	12.7
71.04976	2.2
75.51611	1.8
79.05498	58.1
81.03412	7.7
81.07057	100.0
83.04969	6.9
83.08624	5.1
91.05480	33.7
93.07044	38.8
95.04991	18.3
95.08610	24.7
96.05723	2.4
97.06527	4.3
97.10133	2.6
98.34681	2.1
105.07031	29.9
107.04956	17.6
107.08591	26.0
109.06521	40.0
109.10172	10.0
111.08100	3.5
115.05455	4.6
117.07034	18.8
118.07784	2.9
119.08586	25.8
121.06520	12.3
121.10139	22.1
123.08067	18.9
123.11738	2.3
125.09606	4.5
128.06183	2.9
129.07010	10.3
130.07813	2.8
131.04938	4.5
131.08571	25.7
133.02856	3.8
133.06490	6.0
133.10132	14.7
135.08092	6.5
135.11697	6.1
137.09631	2.7
139.57324	2.3
141.06987	3.7
142.07767	2.8
143.08551	9.1
145.02827	2.5
145.06502	6.3
145.10114	24.6
146.10896	5.0
147.04419	2.9
147.08054	11.6
147.11662	6.4
149.05962	2.9
149.09627	12.9
149.13254	3.6
151.13148	1.9
155.08571	3.0
157.06528	4.6
157.10121	9.5
159.04428	7.9
159.11693	9.2
160.08888	2.0
161.02316	7.7
161.09601	14.6
161.13298	5.6
163.03906	21.4
163.11224	11.4
165.05438	2.4
169.06490	2.2
171.04443	3.0
171.11722	6.2
173.02324	21.9
173.05914	5.6
173.09601	9.5
173.13219	5.1
175.03975	2.2
175.11145	4.3
175.14745	3.5
177.12788	2.7
183.04355	2.5
185.13208	3.1
187.03923	13.1
187.14833	4.8
189.05466	3.0
189.16449	3.4
191.10643	10.5
197.06023	3.5
199.03854	15.7
199.07570	3.7
199.14781	2.2
201.16396	3.5
205.15849	5.0
209.06209	2.3
211.07410	2.8
213.05408	13.8
213.16454	3.1
213.65146	2.0
231.17345	3.2
237.05496	3.2
245.19131	3.7
247.16653	2.1
249.05267	2.2
255.17467	6.1
256.18149	2.8
273.18484	35.7
274.19260	13.8
275.19897	2.2
283.13281	2.5
291.19583	19.8
292.20114	2.4
293.11737	2.7
309.96466	2.0
311.12595	4.6
325.14325	4.5
329.13867	3.4
349.14087	3.4
353.13727	10.0
367.15631	4.9
379.15311	7.2
391.22592	9.0
407.21921	3.1
407.32959	4.5
417.20737	33.6
429.89145	2.1
435.21689	68.4
436.21921	3.9
453.22726	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	453.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.7
53.03942	6.6
55.01879	13.9
55.05510	21.3
57.03424	5.5
65.03938	3.9
67.05502	51.9
69.03426	4.7
69.07069	12.8
70.76267	3.5
70.76634	3.1
71.04987	3.7
72.81483	1.5
77.03916	2.2
79.05019	2.0
79.05493	66.6
81.03411	11.9
81.07054	100.0
83.04979	7.0
83.08625	9.8
85.02901	1.7
85.06529	2.2
91.05480	46.0
91.95459	1.6
92.06263	2.5
92.61928	1.6
93.06489	3.1
93.07046	50.1
95.04973	37.4
95.08610	20.5
95.91325	1.7
97.06525	5.0
97.10167	4.9
103.05475	3.9
105.07031	35.2
107.04954	16.8
107.08589	28.1
109.06519	37.2
109.10143	12.0
111.08080	6.7
115.05460	5.5
117.03361	1.5
117.07011	22.1
119.04923	2.9
119.08588	29.7
121.06495	15.8
121.10136	18.7
123.04408	2.8
123.08067	32.4
123.11711	2.7
125.09660	9.1
126.03489	1.6
126.69167	1.9
128.06212	2.9
129.06984	12.5
130.07753	1.9
131.04897	3.3
131.08577	26.7
133.02866	6.3
133.06497	6.8
133.10141	13.3
135.04376	3.5
135.08031	11.0
135.11684	10.3
137.09657	6.1
141.06993	5.1
143.04938	2.8
143.08551	11.5
144.09331	1.7
145.02879	2.1
145.06483	6.9
145.10121	20.9
147.04373	5.5
147.08060	13.8
147.11679	6.8
149.05980	3.7
149.09630	20.8
151.11252	3.4
155.08571	5.2
157.06502	7.0
157.10110	6.4
159.04431	7.4
159.08070	6.1
159.11702	6.8
161.02325	6.8
161.05974	2.0
161.09587	13.1
161.13274	1.8
163.03914	34.7
163.11168	16.2
164.11836	1.5
165.05515	3.3
165.07042	2.4
169.06401	1.9
169.10211	3.1
171.04417	2.3
171.11676	5.9
173.02350	35.2
173.05968	5.7
173.09671	5.7
173.13271	1.7
175.03859	4.7
175.07686	1.9
175.11163	6.3
177.12715	3.2
181.06462	3.9
183.04620	2.0
183.08073	2.4
183.11644	1.9
185.05966	7.6
185.09610	2.3
185.13243	2.5
187.03891	21.7
187.07599	3.6
187.11159	2.0
189.05435	3.5
189.09238	1.8
189.11194	2.2
191.10678	6.7
193.12213	3.8
195.07967	2.1
195.11774	2.8
197.06023	3.8
199.03911	36.9
199.11273	3.3
201.05473	7.2
203.07173	2.0
205.12181	4.9
209.05951	2.6
211.07544	3.6
213.05473	31.4
213.08943	2.0
215.07019	3.8
221.09688	1.9
223.13287	3.0
225.05470	5.0
225.09041	2.3
227.07051	5.2
227.18025	3.8
229.08665	2.4
231.17540	2.2
237.16478	2.0
239.06934	2.7
241.08589	6.9
245.19170	5.4
249.12630	2.2
249.14957	3.7
251.07143	2.1
255.10031	2.1
255.17389	9.8
256.18195	3.1
263.20004	2.3
265.08365	1.6
267.10672	2.7
267.13806	16.2
273.18481	39.8
274.19238	9.6
275.20029	2.5
279.13644	1.8
281.11774	2.7
283.13342	3.8
291.19531	45.8
292.20224	7.5
293.11746	5.7
297.11298	3.3
299.12952	1.9
307.13245	4.0
309.11157	4.1
309.14688	2.9
311.12729	14.9
313.14307	4.1
315.12296	11.9
323.12787	4.0
325.14343	7.6
329.13809	4.6
335.12823	2.8
337.14120	1.8
341.13846	1.8
353.13776	5.7
364.01273	1.8
367.15533	9.5
389.20969	5.8
391.22665	11.9
399.19534	2.6
407.22147	5.4
417.20642	19.9
435.21683	43.4
436.21631	2.6
453.22791	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	453.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24932	1.2
53.03938	6.0
55.01861	5.0
55.05323	1.1
55.05515	11.7
57.03426	1.8
65.03923	1.1
65.76646	1.1
67.05506	21.2
69.03416	1.8
69.07058	5.1
69.40810	8.4
71.04980	2.3
78.01767	1.0
79.05493	51.8
80.62540	1.1
81.03434	7.5
81.07056	100.0
82.07444	1.1
83.04995	3.0
83.08611	3.2
89.03904	1.5
91.05482	20.0
93.07045	23.5
95.04966	13.3
95.08604	11.1
97.06534	2.8
97.10161	3.1
98.20799	2.6
103.05506	2.1
105.07023	14.2
107.04955	9.1
107.08588	14.6
109.05808	2.4
109.06519	38.0
109.10132	6.4
111.08095	1.7
115.05431	2.5
117.07025	9.4
119.08591	15.6
121.06493	5.4
121.10141	11.3
123.04468	1.1
123.08067	11.4
123.11712	1.6
125.09634	3.9
128.06227	2.5
129.07047	6.3
131.04950	2.0
131.08572	12.5
133.02855	2.5
133.06485	4.8
133.10104	5.6
135.08049	3.8
135.11655	3.8
137.09622	1.3
141.06984	1.4
143.04906	2.2
143.08598	5.5
145.06485	2.9
145.10104	9.4
146.10825	1.2
147.04424	2.6
147.08073	7.1
147.11693	2.5
149.05937	1.9
149.09599	8.3
151.11140	1.3
155.08553	1.9
157.06500	2.8
157.10083	1.6
159.04443	6.4
159.08029	2.1
159.11717	2.6
161.02275	3.4
161.09619	10.7
163.03908	18.3
163.11192	5.3
165.06982	2.1
167.08504	1.2
171.04443	1.4
171.08064	1.2
171.11684	1.4
173.02339	17.9
173.05957	3.5
173.09680	4.6
175.03897	4.2
177.12767	1.4
181.06537	1.9
183.07964	2.0
185.05998	3.8
185.09526	1.4
185.13385	1.5
187.03900	13.3
189.05420	1.3
189.11102	1.3
191.10666	7.2
193.00160	1.1
193.12244	1.4
199.03940	11.7
199.07607	1.6
201.05501	2.7
209.09554	1.3
211.07552	1.9
213.05441	12.9
215.07074	1.4
223.11107	1.5
223.13223	1.8
225.09109	2.9
227.07085	2.3
227.17911	2.2
237.16408	2.1
245.18925	4.0
255.17448	5.7
265.12317	1.7
267.13782	18.7
268.14130	1.4
273.18503	28.9
274.19180	4.9
283.13339	2.6
291.19531	20.8
293.11597	2.3
309.14819	2.8
311.12808	6.9
315.12183	1.7
322.51520	1.2
323.12796	1.7
325.14282	1.8
329.13675	2.0
353.13815	3.8
389.21158	2.5
391.22803	7.8
407.22034	3.7
417.20499	10.3
435.21579	25.8
453.22638	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	452.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33458	0.2
55.05501	0.2
56.05040	0.5
57.03448	0.3
60.08164	6.8
61.78019	0.2
67.05505	0.5
67.73156	0.2
69.07090	0.3
69.21584	1.4
69.22014	1.1
71.07374	3.0
78.46935	0.2
79.05498	0.8
81.07058	0.8
83.08655	0.2
86.09705	31.4
87.10059	0.3
91.05470	0.3
93.07047	0.6
95.08608	0.2
97.06529	1.9
98.06879	0.6
98.98466	2.7
104.10742	3.5
107.08597	0.3
121.10186	0.3
125.00003	23.1
126.02171	0.2
143.01108	0.5
149.02257	0.2
149.13249	0.3
163.03889	0.5
164.02890	0.2
164.04257	0.7
165.09204	0.2
173.02371	0.4
182.97560	0.2
184.07339	100.0
185.07671	1.0
197.58771	0.2
215.07002	0.4
216.07397	0.7
258.11047	0.3
259.09698	1.1
260.09964	1.9
262.37827	0.2
279.50946	0.3
297.93768	0.2
434.22870	1.1
452.24109	3.5
453.24643	0.3
478.94147	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41772	0.7
53.03944	1.0
55.01866	1.0
55.05512	14.9
57.03432	9.0
57.07077	5.7
67.05501	14.4
69.07069	15.6
71.04984	1.1
71.08634	3.5
71.08961	0.8
71.50896	1.1
79.05488	7.8
81.06602	1.0
81.07055	18.0
82.07378	0.7
83.04978	1.6
83.08614	20.4
85.10159	0.9
86.09716	1.1
91.05483	2.1
92.22846	0.7
93.07042	8.3
94.07398	0.7
95.04991	4.4
95.05524	0.8
95.08606	11.6
97.06531	3.4
97.10171	7.3
99.08086	1.9
105.07025	1.4
107.05042	0.7
107.08613	6.4
109.06494	0.9
109.10154	4.3
111.08067	2.4
111.11733	1.1
111.42877	0.8
117.07037	1.3
119.08604	1.6
121.06491	1.1
121.10139	8.8
123.08125	1.0
123.11704	1.6
124.99966	1.1
125.09620	2.5
131.08577	1.3
132.04276	0.7
133.10109	1.2
135.11703	4.5
137.13252	2.1
139.11201	2.2
143.08604	0.9
145.10123	1.8
147.08049	0.9
149.13290	1.1
159.11647	0.8
163.11223	0.9
169.10059	1.3
180.11504	1.1
181.11900	0.9
184.07326	1.6
185.13252	0.7
197.47075	0.8
198.62367	0.8
207.06532	1.2
215.14250	1.0
219.21162	1.4
223.13319	2.1
237.22124	0.9
280.26385	3.4
290.06250	1.0
311.25800	100.0
312.26257	6.6
340.22327	0.8
366.84906	0.7
383.14896	2.1
435.21698	1.1
453.22815	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	11.4
57.03425	1.8
62.16746	1.2
63.21230	1.1
69.03434	2.5
69.42934	1.3
71.51417	2.4
73.47717	1.4
80.90428	1.5
81.03402	2.8
85.02901	6.4
87.04453	1.3
92.76066	1.2
97.02893	4.7
98.97571	4.1
101.00876	3.7
105.00385	1.4
107.04972	2.3
109.02941	1.4
115.02470	3.3
116.98621	4.6
117.04009	3.6
119.01906	14.6
123.69561	1.2
127.03895	1.7
128.98624	1.5
131.01907	11.9
133.03497	8.1
135.05029	5.8
137.02950	2.6
137.05940	1.3
143.00165	1.8
143.01926	6.5
145.01736	1.7
145.03491	15.1
146.03566	1.7
146.99657	2.0
147.01398	1.9
149.02972	3.7
151.04550	1.4
152.05661	1.9
155.01907	15.9
155.05478	2.0
156.02753	1.6
157.03485	6.1
159.05066	17.1
161.01305	3.1
161.02957	14.5
163.04469	5.7
163.05869	1.4
169.03493	2.0
171.05035	22.1
173.01575	2.5
173.02994	23.0
173.06633	4.8
173.13234	1.3
175.02876	1.6
175.04527	5.1
177.06097	10.6
179.03940	1.4
185.01257	2.1
185.02937	4.0
185.06689	3.3
187.02841	1.4
187.04515	6.0
189.02512	2.2
189.06094	22.7
191.03975	2.3
191.07664	2.1
195.01389	1.9
195.05087	2.1
199.04445	1.5
201.06078	9.3
203.02325	2.8
203.03981	9.0
203.07677	3.1
211.02835	2.2
211.04607	2.6
213.00706	1.8
213.06068	9.2
215.04103	2.6
219.01845	1.7
219.07135	4.2
221.03438	2.1
221.05092	33.7
231.01726	2.4
231.07242	1.6
234.99756	2.6
237.00642	3.3
237.02924	3.7
243.07123	4.4
245.05096	4.8
249.02617	1.7
255.01764	5.5
257.01559	2.3
257.04938	1.7
259.06641	3.0
261.08243	43.2
273.02802	10.5
275.06403	1.4
279.09293	67.1
280.09583	2.5
289.56918	1.4
299.06207	2.0
301.00574	1.6
302.10901	5.2
305.10883	2.0
323.04623	1.8
345.10345	5.3
357.10461	3.5
361.02673	6.7
393.12433	100.0
394.12686	4.5
411.05762	4.8
420.03854	1.7
429.06964	3.3
435.09320	1.7
453.12921	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	451.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.3
67.05501	1.4
69.03417	0.9
69.07066	17.2
69.81673	2.9
69.82077	1.9
72.58500	0.9
72.74642	0.9
79.05495	5.3
81.89630	0.9
83.04992	1.2
89.03901	3.6
95.04967	1.2
97.06525	20.8
107.04947	2.6
117.03383	8.7
134.03603	4.8
135.04422	17.2
137.05989	1.2
145.02850	16.3
154.82152	0.9
163.03900	100.0
164.04282	2.9
189.05580	1.1
217.04973	2.1
232.99092	1.0
241.08556	2.1
259.09662	88.8
260.10059	3.6
293.54376	0.8
313.47717	1.1
458.31699	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3204
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.1
55.01856	2.6
55.05504	15.5
55.86253	2.3
57.07059	3.5
66.71281	2.5
67.05501	29.1
68.17870	2.4
69.03402	4.0
69.07063	16.3
69.94195	10.5
71.04977	3.4
76.73732	2.2
79.05483	23.8
81.03420	4.3
81.07049	53.0
83.04985	25.8
83.08620	11.3
86.09717	3.7
88.39442	2.3
91.05476	36.7
93.07042	52.5
95.04957	10.9
95.08603	66.2
97.06496	14.9
97.10162	3.9
98.20837	3.7
103.05466	2.9
105.06315	3.3
105.07026	68.7
107.04930	3.3
107.07883	4.9
107.08587	72.6
109.06509	8.9
109.10156	34.4
111.08055	10.0
117.07034	13.5
119.08575	100.0
121.06512	4.3
121.10137	42.2
121.89726	2.2
123.08051	8.4
123.11695	10.5
123.34821	2.1
125.09641	4.4
128.06204	3.5
129.06976	7.9
131.07619	3.3
131.08568	36.2
133.10115	57.3
135.08011	3.6
135.11665	16.1
136.41647	2.8
137.09581	7.3
139.11209	2.7
141.07028	3.4
142.07761	10.3
143.08534	25.2
144.09303	3.3
145.10106	73.7
147.08026	5.0
147.11693	35.8
149.13232	17.1
153.09093	4.0
155.08528	10.1
156.09358	9.8
157.10118	35.9
158.10854	5.3
159.11694	32.8
160.12039	2.8
161.09616	9.5
161.13260	13.9
163.03905	8.1
163.07568	6.8
163.14795	11.1
165.09074	4.3
165.12758	2.4
167.08505	2.7
169.10170	13.2
170.10811	3.4
171.11646	27.3
173.02333	4.2
173.13263	24.0
175.11243	5.6
175.14825	43.2
177.09148	5.0
177.16388	12.7
181.10127	4.0
183.11703	11.6
184.07298	5.5
184.12515	3.5
185.13264	19.1
187.14806	55.9
189.16374	30.9
191.17921	2.9
193.15836	3.1
195.11697	5.8
197.13254	9.6
199.14781	25.7
201.16393	25.2
203.14307	11.4
203.18010	12.8
205.15819	10.1
205.19360	3.4
209.13226	4.7
211.14784	13.4
213.16344	19.2
215.07010	5.8
215.14310	6.4
215.17989	5.1
217.15842	16.5
223.14876	3.6
225.16396	5.9
227.17886	3.2
229.15817	7.9
231.17401	13.3
233.15475	3.6
237.16312	3.8
239.17888	5.8
241.08444	3.4
241.19516	11.4
243.21138	3.8
247.16953	12.9
251.17920	3.2
253.19502	5.3
259.09671	14.8
267.21091	4.5
279.21082	3.0
281.22546	4.6
283.20587	3.6
285.18481	3.1
287.05417	9.3
288.05838	8.6
289.06036	16.2
291.20892	2.9
299.20001	2.8
309.21933	7.3
367.26224	5.2
387.30417	9.9
391.22308	3.5
405.31534	58.1
406.31754	4.8
407.33130	4.9
421.30936	4.7
433.20078	5.2
433.31122	18.5
451.12558	3.0
451.21426	5.0
451.27228	4.2
451.32114	54.9
452.32687	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	451.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15214	0.9
52.15590	0.8
53.03941	1.1
55.01880	1.0
55.05527	1.4
57.03432	1.3
65.03958	1.8
67.05507	4.4
69.03437	2.7
69.07071	1.9
69.14246	0.8
69.57771	3.6
69.58202	2.9
70.06593	3.2
71.04967	1.4
79.05502	2.7
83.04973	2.7
85.02895	1.2
86.09698	2.7
86.83685	0.8
91.05491	2.2
93.25497	0.9
95.04976	12.9
97.06535	13.0
98.21489	1.9
101.59150	0.9
104.10757	1.3
111.04432	2.5
115.05466	3.0
117.06978	1.3
119.08595	1.2
120.08082	1.2
121.02843	1.0
123.04433	2.8
128.06192	1.8
131.04935	1.3
131.08566	1.8
135.04405	3.5
136.04807	1.5
137.06007	4.7
139.03940	1.6
141.07007	4.3
143.04984	1.8
143.08578	2.5
147.04445	1.4
149.05966	1.5
153.01842	5.8
154.02177	2.9
155.02327	2.0
157.05032	1.0
157.10133	1.1
159.04401	2.2
159.08081	1.4
160.05223	7.7
161.05995	22.8
163.03934	9.2
165.05522	1.0
167.08539	4.9
169.06499	2.9
171.08121	1.9
173.02380	2.1
173.05998	2.9
174.06805	2.0
175.03990	2.0
175.06059	1.5
175.07536	2.7
184.07339	1.8
185.06094	1.9
185.07722	1.0
185.09509	2.0
187.07536	3.7
189.05469	1.7
189.09108	31.4
195.08150	4.9
197.05951	1.9
197.09674	1.0
198.06747	1.7
201.05435	2.6
203.07149	0.9
209.04352	1.0
213.09068	8.6
215.07027	36.5
217.08601	7.6
231.10172	5.8
241.08621	4.7
243.91571	1.0
248.24597	0.9
249.11162	2.6
258.05963	1.0
259.09662	60.4
277.10849	6.8
287.05511	48.9
288.05838	45.0
289.06052	100.0
290.06253	2.8
355.19431	1.0
404.92245	1.2
433.14944	1.0
451.10452	1.2
451.16064	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	451.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.4
55.01860	0.7
56.96557	0.8
57.03434	0.7
61.02913	1.0
69.03428	2.0
69.04227	0.3
69.07063	0.3
70.25950	0.4
70.26293	1.1
73.02907	0.5
81.03400	1.1
85.02908	8.7
87.04478	0.4
89.73365	0.3
91.03949	0.4
97.02889	2.3
98.97576	0.7
99.04436	0.4
109.02872	1.1
113.01478	0.3
116.98640	0.5
127.03912	100.0
128.04260	0.9
134.99695	0.3
145.04959	1.7
158.89835	0.3
161.01181	0.3
163.03914	0.7
186.55782	0.3
187.02805	0.4
193.37141	0.3
237.02795	0.7
271.16510	0.3
273.02777	0.3
289.09082	2.0
311.84680	0.3
328.55585	0.3
342.90344	0.3
451.04865	0.4
451.12143	0.6
451.17844	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81408	0.2
55.01862	0.3
56.05024	0.6
58.06605	0.6
60.07890	0.4
60.08165	5.6
67.05499	0.9
69.07060	0.8
69.24335	0.3
69.24736	2.3
71.07372	2.7
79.05488	1.2
79.65443	0.2
81.03447	0.2
81.07025	0.4
83.04968	0.6
86.09708	30.1
87.10030	0.6
91.05466	0.8
93.02717	0.2
93.07003	0.4
95.04959	0.2
97.06528	4.9
97.10184	0.2
98.98454	2.6
103.90521	0.2
104.10746	3.6
105.07052	0.3
108.08080	0.2
117.03379	0.3
125.00005	20.4
133.10179	0.3
135.04433	0.6
137.05980	0.3
145.02853	0.4
154.02217	0.3
161.02354	0.9
163.03932	1.8
173.02356	2.2
184.07344	100.0
185.07642	0.9
215.07021	2.7
223.00003	0.2
235.23683	0.2
254.72072	0.2
259.09659	6.7
267.15952	0.3
287.05444	2.4
288.05826	5.5
289.06189	0.3
391.53973	0.3
432.21429	0.9
450.22604	2.6
460.53925	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.3
54.55914	0.9
55.01880	1.7
57.03434	4.2
60.03762	0.9
60.04510	1.6
61.02928	6.4
62.00507	0.8
65.03940	1.7
69.03431	13.8
69.67619	3.7
69.68027	2.3
71.04995	1.2
73.02917	2.1
78.68529	0.9
79.05508	1.0
81.03427	5.7
83.01314	0.9
85.02907	64.2
86.03278	1.1
87.04479	1.4
91.03947	2.7
91.05482	100.0
91.92929	0.8
92.05821	1.0
95.04947	1.4
97.02889	31.3
99.04459	2.6
105.06989	1.2
107.04948	1.6
109.02887	6.1
115.03930	4.0
125.02357	1.9
127.03915	13.7
133.06471	1.7
137.05927	1.4
145.04962	27.4
145.06255	1.5
145.06534	1.3
149.02377	1.1
161.04491	2.0
161.05943	1.3
163.06023	9.0
173.20634	0.9
210.07558	1.2
217.08595	2.0
235.09613	1.4
252.08797	1.1
253.10818	1.3
270.09756	4.5
287.05493	2.1
288.05743	6.6
288.10883	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.6
55.01867	2.0
55.97548	1.6
57.03430	5.5
59.96159	1.8
60.04514	3.3
61.02909	7.9
62.06073	3.7
63.64061	1.9
66.48724	1.7
68.05017	2.3
69.02636	1.8
69.03430	16.8
70.06580	2.9
71.04964	3.7
71.51150	2.9
73.02892	5.0
79.05495	4.5
81.03423	10.0
81.07066	2.6
82.06557	2.7
85.02901	77.7
86.06063	4.8
86.09689	3.8
89.06009	6.0
91.03936	3.9
91.05477	100.0
93.07024	2.8
94.06572	2.6
95.04942	5.2
95.06065	2.1
96.04504	4.5
97.02882	46.2
97.06491	3.1
99.04451	3.5
105.06978	4.5
107.04951	4.7
109.02914	10.5
109.82624	2.2
115.03954	4.2
119.08536	2.8
121.06471	5.0
123.00782	2.5
123.04449	2.2
124.07604	3.5
125.02264	2.1
125.05967	7.6
127.03909	20.2
129.06956	2.4
133.06512	3.6
135.04430	2.5
137.05930	2.0
139.03876	7.2
145.04958	32.7
145.06105	3.0
145.06485	1.7
147.04405	3.1
148.07561	2.4
149.02267	2.6
149.05971	6.9
150.09161	3.3
151.03815	2.4
151.07565	3.1
152.07021	2.8
153.05473	10.9
161.05904	3.3
163.05995	13.3
163.57195	2.1
165.05505	2.9
166.05022	11.7
167.03387	2.2
167.07034	26.2
168.10164	3.9
174.09143	2.5
175.07512	4.0
177.05490	2.8
178.08611	3.1
183.06493	2.5
192.10181	3.5
195.06531	6.9
196.09683	15.5
198.07571	4.0
202.08365	2.1
206.10162	2.3
217.08562	4.0
220.09711	9.1
226.10684	4.1
227.09070	4.9
235.09523	3.7
238.10651	9.8
252.08640	3.8
252.12297	15.6
256.11761	6.0
270.09726	7.8
270.13306	28.4
287.05548	4.2
288.05811	8.9
288.10791	1.8
288.14261	7.1
396.16006	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	450.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32645	4.3
56.05013	4.5
57.03411	5.7
58.06599	8.2
60.04280	3.2
60.04526	27.4
61.02923	6.0
67.05503	8.7
68.05015	6.5
69.03419	24.6
69.23369	6.3
69.23773	33.9
70.06579	13.2
71.04972	6.7
72.08150	3.8
73.02899	5.7
74.06065	10.4
76.07657	4.1
77.14850	3.7
79.05476	14.8
81.03405	13.5
81.07049	4.9
82.06559	8.5
83.04923	4.7
84.04494	21.5
84.08121	7.0
85.02905	43.7
86.06042	19.5
86.09674	7.6
88.03970	3.9
88.07626	25.6
91.05468	20.0
93.05772	4.9
93.07052	7.9
94.06559	22.9
95.04964	16.0
97.02895	41.0
105.06998	3.9
106.06540	6.4
107.04939	12.3
108.08100	5.8
109.02843	12.3
110.06010	7.7
112.03945	9.4
112.07623	5.4
113.02354	4.0
114.05508	3.6
117.07047	3.9
119.04937	10.5
120.04393	4.7
120.08100	17.0
121.02852	13.0
121.06492	10.0
121.14253	3.3
121.73139	3.9
122.05997	8.9
123.00785	6.2
123.04427	12.0
124.07558	4.5
125.02373	19.0
126.05515	7.2
127.03947	9.8
128.07132	5.3
130.04985	13.9
130.06519	9.0
133.06407	4.5
134.05984	7.0
134.09666	13.9
135.04434	8.5
136.07559	14.4
137.05954	13.1
138.05466	10.5
138.09108	10.7
139.03902	15.1
141.01863	5.1
145.04924	6.0
146.05940	4.0
147.04390	13.7
148.07585	13.5
149.02328	31.5
149.06029	8.1
150.09155	5.1
151.03900	15.0
152.07050	7.2
153.01802	5.3
156.10202	29.3
158.05949	11.6
162.05507	7.5
162.09050	6.4
163.03877	10.1
163.07524	6.3
164.07056	16.3
165.05472	10.1
166.04944	9.1
166.08577	5.1
167.03403	23.3
167.07132	4.4
174.05522	7.6
175.03882	7.7
177.05461	5.6
178.08646	8.6
180.06479	7.1
180.10175	8.7
182.08128	6.3
184.07407	5.0
188.07086	4.6
190.08533	5.0
191.03352	18.8
192.06566	10.0
193.04933	16.7
204.08630	6.1
206.08183	5.5
207.06461	4.8
208.06079	9.6
208.09680	11.8
209.04381	13.3
218.08109	10.8
224.09164	6.6
226.07080	16.9
226.10709	36.1
227.05492	8.2
228.08672	7.0
230.07727	4.2
234.07654	7.6
235.05957	5.6
235.08061	4.7
242.10226	7.3
252.08643	50.5
270.09702	100.0
281.55075	4.3
287.05426	28.4
288.05841	58.2
288.10742	50.7
296.96164	4.2
433.11865	4.5
450.16156	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	450.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51923	5.9
50.83256	6.4
56.05033	7.5
57.03434	6.7
60.04518	20.3
68.05019	11.1
68.55617	7.3
69.03416	31.1
71.51324	13.8
72.08140	8.5
74.06085	9.2
74.51617	6.1
75.05596	11.4
76.07645	13.3
79.05479	18.6
81.03400	24.9
81.07048	9.6
83.04990	7.1
84.04480	15.6
84.08184	8.6
85.02901	32.2
87.04474	9.7
91.05477	16.9
94.06568	8.5
95.04951	14.4
97.02886	26.5
107.00433	6.6
107.04937	34.2
109.02901	7.4
110.06036	9.8
119.04945	7.5
120.08126	9.2
121.06474	10.5
122.06008	9.9
123.04434	8.0
125.02345	19.3
126.30867	8.4
134.06039	9.7
135.04407	7.2
136.07581	14.8
137.06049	15.7
138.05487	7.9
139.03868	7.1
147.04390	12.4
149.02298	12.1
149.05992	8.7
161.06042	8.0
163.03876	11.9
164.07076	6.9
165.05472	9.2
166.05078	9.8
167.03432	7.8
184.07390	7.8
193.04921	11.3
204.08594	9.4
208.06073	12.3
208.09677	9.0
210.07597	20.7
211.05995	10.4
224.09232	16.1
226.07097	8.3
226.10699	20.7
228.08699	16.7
234.07718	8.3
242.10289	10.6
252.08641	44.1
254.10292	8.7
270.09686	100.0
272.11179	7.5
288.05698	8.3
288.10754	22.5
429.39233	7.8
432.14716	11.1
450.15948	24.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00790	0.2
53.03938	0.4
55.01861	1.0
55.05513	1.3
57.03423	0.9
57.07069	0.3
65.03910	0.3
67.01868	0.4
67.05506	3.5
68.99800	0.4
69.03416	0.3
69.07066	1.5
70.06588	0.2
70.54333	0.9
71.04965	0.5
71.08615	1.1
75.30766	0.3
79.05489	3.0
81.03402	1.2
81.07052	5.0
83.04974	0.7
83.08595	1.1
85.06532	0.6
85.10178	0.5
91.05470	3.0
93.07047	2.6
95.04959	1.5
95.08601	2.6
97.06516	1.2
97.10157	0.5
98.98479	2.2
99.08083	1.0
105.07023	2.0
107.04926	0.7
107.08590	2.2
108.66058	0.2
109.06524	0.9
109.10150	1.5
111.04424	0.8
111.08070	0.9
113.09605	0.4
117.06990	0.9
119.08567	1.3
121.06548	0.3
121.10107	1.1
123.11694	0.4
125.09635	0.4
129.06935	0.3
131.08568	0.6
133.10144	1.4
135.04417	1.8
135.08023	0.6
135.11674	1.1
137.02284	0.6
137.05972	3.5
137.09604	0.3
145.06516	0.3
145.10112	0.7
147.07986	0.4
147.11667	1.0
149.09622	0.5
149.13255	0.7
151.07576	0.3
151.11185	1.0
153.01825	4.7
155.00993	0.3
157.10193	0.3
159.11707	0.5
161.02373	0.7
161.09596	0.4
161.13245	0.9
163.11174	0.7
165.12762	1.0
171.02892	0.7
171.11646	0.5
173.02196	0.3
175.11151	0.4
175.14804	0.2
177.12749	0.5
179.03477	0.5
184.07358	0.5
189.12766	0.3
197.06221	0.2
197.20921	0.3
213.05463	0.2
227.12813	0.4
231.20990	0.3
241.04996	0.3
241.19456	0.3
259.20517	0.7
268.99036	0.3
269.04523	0.5
277.17999	1.5
277.21603	3.1
287.05484	100.0
288.05814	8.7
295.19199	0.5
351.21545	1.1
351.25275	4.1
449.10925	0.6
449.19275	0.4
449.25116	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.23
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.0
55.01851	0.6
55.05508	4.3
57.03430	2.3
57.07072	0.5
60.91576	0.5
67.01857	0.8
67.05182	0.7
67.05506	8.4
69.07077	3.3
70.11295	1.9
71.08636	7.9
74.16183	0.5
74.68982	0.5
75.66428	0.5
79.05071	0.8
79.05493	8.6
81.03397	2.0
81.07046	9.3
83.04972	1.8
83.08595	1.9
89.38417	0.4
91.05479	5.8
93.07040	7.7
94.07384	0.5
95.04957	2.5
95.08604	4.5
97.06519	1.6
97.10173	0.8
98.98454	6.5
99.08089	6.0
105.07034	4.4
107.04951	1.5
107.08582	4.4
109.06490	0.9
109.10144	2.1
111.08073	0.6
117.07018	1.5
119.04921	0.9
119.08566	3.2
121.06436	0.5
121.10138	3.6
123.08105	0.8
125.09630	1.0
131.08559	1.4
133.10115	2.3
135.04434	1.8
135.08061	0.8
135.11676	3.9
137.02364	0.6
139.11124	0.5
143.08522	1.0
145.10127	2.1
147.04428	1.6
147.11676	2.0
149.09570	0.6
149.13275	1.4
151.11154	4.3
153.01828	4.7
153.09167	0.8
155.01041	1.6
159.11662	1.3
161.02269	0.9
161.13287	2.7
163.11151	2.2
165.05429	0.6
165.12686	0.7
171.02859	0.5
171.11646	1.1
173.02132	0.7
173.11623	0.5
175.14772	0.5
177.12773	2.4
179.03374	0.6
179.14296	4.9
185.13219	0.8
195.13774	0.8
199.14778	0.7
231.21117	0.7
241.04988	0.7
241.19534	1.2
249.18495	1.4
259.20621	2.5
277.21622	7.5
287.05496	100.0
288.05829	8.2
295.22266	0.7
333.24081	0.7
337.26440	0.6
351.25250	12.6
449.30194	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1078
Annotation	Chrysanthemin
Peak:m/z	Relative Intensity
59.20768	0.2
60.06486	0.2
67.01855	0.6
68.99804	0.4
69.19534	1.8
73.91042	0.2
82.88704	0.2
85.02893	0.3
86.71607	0.2
98.20676	0.3
105.07030	0.2
119.04942	0.4
123.00782	0.3
135.04404	1.6
137.02328	0.4
153.01828	4.5
158.50783	0.2
161.02339	0.4
169.01271	0.3
171.02876	0.3
177.09084	0.5
179.03387	0.3
193.08711	0.2
241.04988	0.4
269.04425	0.6
271.06000	0.2
271.92532	0.2
287.05502	100.0
288.05832	4.2
303.05035	0.3
449.10834	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1419
Annotation	TyrMe-Met-OH
Peak:m/z	Relative Intensity
54.58861	0.8
54.80128	1.0
69.03458	1.0
69.82675	1.9
69.83083	3.3
85.02884	1.4
135.04402	2.4
142.89314	0.8
145.02852	1.9
161.02991	1.1
163.03909	9.7
164.99782	1.1
179.31604	0.8
188.18826	1.0
246.14185	0.9
267.03867	1.0
277.77911	0.9
287.05542	1.3
309.05014	1.1
449.14288	100.0
450.14780	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	449.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.2
54.58889	1.6
55.05509	13.4
57.03425	7.1
57.07055	2.9
67.05141	2.3
67.05498	29.0
69.07063	10.1
71.08629	28.6
71.34693	2.3
71.35028	2.9
79.05489	29.3
81.03410	4.3
81.07044	33.9
83.04966	7.4
83.08602	5.5
85.06493	1.9
85.86469	1.8
87.25511	1.9
91.05463	21.1
93.07038	34.9
95.04955	8.4
95.08600	24.6
97.06516	7.6
98.98450	11.4
99.08087	18.2
105.07022	13.4
107.04932	4.4
107.08588	16.2
109.10128	8.5
113.09650	2.5
117.06963	2.1
119.08533	12.6
121.10144	13.6
131.08517	3.3
133.10103	8.1
135.04369	3.3
135.11696	17.8
137.09587	2.2
140.34926	2.0
145.10155	2.3
147.11656	5.0
149.13272	4.8
151.11191	10.8
153.01762	4.8
155.01100	2.4
161.13245	7.5
163.11156	5.0
171.11641	3.0
177.12811	1.9
179.14307	54.9
195.13689	2.7
235.17053	2.1
259.20633	3.7
277.18823	3.6
277.21622	38.0
287.05484	100.0
288.05789	9.4
297.70956	2.0
311.69070	2.0
315.19330	5.2
351.25256	72.5
352.25577	3.8
449.21210	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	449.1076
Annotation	Chrysanthemin
Peak:m/z	Relative Intensity
53.03946	0.4
57.03425	0.5
61.02911	0.6
61.78764	0.3
62.50425	0.4
65.03939	0.4
66.19733	0.3
67.01865	0.7
67.05514	0.4
68.99797	0.7
69.03417	1.6
70.06578	0.6
71.51425	0.7
73.02888	0.6
79.05479	1.4
80.05775	0.5
81.03410	0.9
81.07058	0.6
82.06620	0.4
84.04519	1.7
84.04948	0.4
85.02899	3.2
85.55839	0.3
91.05461	1.3
92.05834	0.4
93.03419	0.3
93.07027	0.7
94.06559	0.4
95.04958	0.4
96.37383	0.4
97.02888	1.8
103.05481	0.4
107.04951	1.6
108.05259	0.6
109.02870	0.5
112.03956	1.4
119.04932	0.6
120.05228	0.6
121.02850	0.4
125.05988	0.5
126.05514	0.6
127.03912	1.3
131.08606	0.4
133.06461	0.3
135.04404	2.0
137.02321	0.7
137.05998	1.0
138.47304	0.3
139.03947	0.6
144.06570	0.9
145.02907	0.6
146.06139	0.4
147.04381	0.7
149.05998	0.6
149.07997	0.4
151.03903	0.6
152.07068	0.6
153.01848	4.8
153.07350	0.4
161.02350	0.4
162.09129	0.4
163.09517	0.6
164.06918	0.4
165.05440	0.8
165.07394	0.5
167.07045	1.2
168.59679	0.4
170.08133	0.5
175.07486	0.5
181.04907	1.2
191.07100	0.7
208.06871	0.4
208.09659	0.8
209.10025	0.7
212.06503	0.5
224.09166	1.0
225.09476	1.9
237.09607	0.4
240.12332	0.6
241.04985	0.6
241.12660	0.9
250.10858	0.5
251.11066	0.8
253.10806	0.9
255.08304	0.5
268.11810	2.0
269.04578	0.4
269.12198	3.7
270.13275	0.6
271.13669	0.8
282.55948	0.4
286.12689	0.6
287.05496	100.0
288.05817	4.4
299.05496	0.4
307.16382	0.4
352.78271	0.4
372.25308	0.4
431.17441	0.6
449.10696	2.1
449.18134	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1074
Annotation	Luteolin-7-glucoside
Peak:m/z	Relative Intensity
53.67943	0.1
61.98880	0.1
67.01867	0.7
68.99786	0.4
71.35387	0.3
71.62154	0.1
86.54785	0.1
89.03923	0.2
106.07404	0.1
106.69405	0.1
112.73697	0.1
117.03370	0.3
126.48042	0.1
135.04411	1.7
137.02310	0.5
153.01819	5.4
156.61629	0.1
161.02332	0.5
171.02882	0.6
179.03430	0.4
203.03320	0.1
213.05507	0.2
236.80954	0.1
241.04982	0.6
263.05408	0.1
269.04416	0.5
287.05469	100.0
288.05795	2.9
449.10638	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.4
57.07071	4.7
58.06591	1.8
66.84076	0.8
67.05492	2.0
68.99808	0.8
70.06587	17.6
71.08621	2.6
71.50838	1.3
72.08109	0.9
79.05482	1.4
81.07059	1.7
88.07110	1.4
88.07623	20.8
91.05465	2.2
93.07037	1.6
102.09174	12.8
104.02618	2.3
105.07033	1.1
119.04945	2.0
132.02069	6.2
135.04353	1.7
136.01552	7.3
137.02257	1.0
147.04398	22.9
148.05132	1.3
149.02374	2.0
153.01790	4.3
165.12828	0.8
175.03894	46.4
176.04657	2.8
180.04147	9.0
190.96239	1.0
191.06989	2.7
203.51250	0.9
211.43323	0.9
212.23654	1.1
219.06508	82.8
220.06934	2.9
256.26340	52.2
257.26657	1.9
257.41074	1.0
287.05484	100.0
448.30573	90.9
449.30688	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	449.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09858	0.1
55.01884	0.1
55.05495	0.3
57.03443	0.1
58.76751	0.1
67.01865	0.4
67.05492	0.2
68.99775	0.4
69.03424	0.2
69.07047	0.1
69.41066	0.2
69.41483	0.4
70.06577	0.1
79.05479	0.2
81.03439	0.1
81.07045	0.3
82.06588	0.1
83.04961	0.2
83.08588	0.2
85.02888	0.3
86.09673	0.2
89.03917	0.2
91.05466	0.1
93.07017	0.1
93.82553	0.1
95.04987	0.1
96.08115	0.3
97.02874	0.1
97.06517	0.1
98.09683	0.5
100.07606	0.1
100.11259	0.3
107.04930	0.3
108.46145	0.1
109.02866	0.1
110.06021	0.2
111.04446	0.4
112.07594	0.1
115.78763	0.1
117.03386	0.3
119.08595	0.1
121.02767	0.1
123.04456	0.1
128.07100	0.1
129.01819	0.2
131.04913	0.1
133.02850	0.1
135.04404	2.0
137.02357	0.5
137.05948	0.3
147.04430	0.2
151.03915	0.1
153.01826	5.3
155.08536	0.1
157.06424	0.1
161.02319	0.6
161.05943	0.1
163.03874	0.1
171.02873	0.6
173.06010	0.1
175.07539	0.2
175.27101	0.1
177.05450	0.1
179.03389	0.3
180.13841	0.1
181.04912	0.4
182.15437	0.2
183.08058	0.1
184.07335	0.3
185.05927	0.1
187.07513	0.1
201.09099	0.2
203.03426	0.2
203.06978	0.1
205.13275	0.1
208.13394	0.1
210.14868	0.3
211.07539	0.4
213.05440	0.3
217.04977	0.1
219.06444	0.1
225.16005	0.1
229.08646	0.5
231.06438	0.1
241.04865	0.6
245.04495	0.1
246.65117	0.1
257.04514	0.1
257.07861	0.1
258.05063	0.2
259.05542	0.3
269.04468	0.7
275.09219	0.6
286.04654	0.2
287.05484	100.0
288.05823	3.2
337.21033	0.2
352.22391	0.1
354.23666	0.1
380.25580	0.1
431.14484	0.1
431.30020	0.2
449.09329	0.1
449.15546	0.6
449.20529	0.1
449.31198	1.0
452.42764	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	13.1
56.05030	12.7
56.46360	7.7
57.03417	10.7
58.06589	9.7
58.23883	7.9
60.05651	11.4
61.36288	9.2
67.05503	11.7
68.49626	10.5
69.03421	26.8
69.51515	61.6
70.06599	29.3
71.04986	8.3
71.87874	8.5
72.08148	19.4
79.05488	16.0
81.03411	26.9
84.04491	8.8
84.08146	9.0
85.02905	56.4
86.09693	20.0
86.39718	8.6
87.04459	10.8
93.07027	10.7
95.04972	81.5
96.04491	15.2
97.02882	24.5
97.06562	9.2
105.07053	20.7
107.04958	26.1
109.02877	15.1
109.06548	14.8
110.06047	9.0
111.04439	9.3
114.05532	15.8
115.03904	8.8
117.07062	8.4
120.08115	20.1
121.02883	10.9
121.06504	15.4
122.05989	11.1
123.04431	33.5
125.02373	36.0
127.03911	18.6
133.06503	13.9
134.06039	10.3
135.04440	15.9
136.04720	8.9
137.05971	20.7
139.03909	40.5
140.07010	9.3
145.04936	10.5
147.04442	13.5
148.07472	15.5
149.05995	15.2
151.03909	97.4
152.04135	18.0
152.07132	10.0
153.01807	9.0
153.05495	15.0
163.03909	8.4
165.05450	13.1
166.08633	10.7
167.03426	34.2
175.07507	11.1
177.05402	10.8
179.07050	12.5
190.08656	15.0
193.04987	18.7
195.06480	9.5
204.08662	18.1
206.06503	11.2
208.09836	11.2
211.06056	94.2
218.08116	18.4
224.09180	13.0
229.07068	70.7
236.09164	24.9
240.09187	10.2
243.08830	51.3
250.08124	9.9
253.08566	8.6
268.08969	21.1
268.11823	90.4
268.14819	12.0
269.10184	13.6
275.79327	8.8
286.12857	32.9
287.05502	100.0
349.65616	9.5
448.18045	35.9
449.19055	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	448.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.7
55.01851	2.7
56.05021	3.8
57.03429	3.1
58.06590	1.8
59.05005	2.2
61.02925	3.4
62.72034	1.8
64.14024	2.1
65.03928	2.1
67.05505	4.8
69.03427	11.2
71.31484	3.3
74.06058	7.1
77.03572	1.9
79.05492	16.5
80.05013	2.4
81.03405	4.9
81.07072	13.0
82.06569	6.1
84.04507	26.6
85.02906	18.7
87.04459	1.8
91.05479	13.3
92.05003	2.1
93.07023	3.7
94.02922	7.7
94.06579	2.3
95.04956	6.0
96.04503	2.8
97.02889	6.5
97.06556	1.8
98.69552	1.7
103.05464	2.4
103.47757	2.0
104.16903	1.7
106.06570	2.3
107.04958	29.7
108.05733	2.2
108.08102	6.1
109.06524	5.0
110.06039	4.0
112.03979	20.5
117.07056	2.3
118.06547	8.7
119.04938	9.5
120.04472	10.7
120.08113	3.3
121.02867	2.2
121.06501	3.1
122.06006	3.4
123.04458	2.6
124.07578	2.5
125.06007	2.0
126.05511	11.9
127.03903	4.2
131.04927	4.5
134.09650	6.9
135.04375	2.1
136.07552	6.5
137.05965	4.8
138.05487	3.8
139.03871	3.7
144.06540	20.8
144.08154	3.2
145.04893	2.3
146.06020	4.2
147.04393	7.3
148.07558	4.3
149.05983	2.4
152.07042	13.4
153.01843	5.1
153.05447	4.0
154.08653	2.7
159.04390	2.1
159.66977	1.7
162.09160	13.2
163.04033	2.1
164.07024	5.4
165.05481	7.9
170.08110	12.2
172.07573	2.7
174.05492	3.4
177.05510	2.6
178.08565	2.8
179.06972	2.4
180.10155	6.5
183.06544	2.7
190.08672	8.1
191.07028	2.7
196.09700	5.2
197.08005	2.5
206.08292	3.1
206.10210	4.3
208.09688	18.1
209.08121	2.8
209.16850	1.7
211.06009	13.1
218.08093	5.8
222.11191	4.5
224.09178	55.7
225.07556	7.3
226.10625	2.3
236.09186	7.6
240.12332	20.7
242.10289	3.8
242.13864	3.9
243.08690	7.0
250.10739	18.3
252.12267	2.0
254.10286	4.6
268.11810	100.0
270.13348	10.7
286.12878	21.1
287.05502	77.7
342.88498	2.1
447.85818	2.0
448.18121	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	448.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	13.1
56.05030	12.7
56.46360	7.7
57.03417	10.7
58.06589	9.7
58.23883	7.9
60.05651	11.4
61.36288	9.2
67.05503	11.7
68.49626	10.5
69.03421	26.8
69.51515	61.6
70.06599	29.3
71.04986	8.3
71.87874	8.5
72.08148	19.4
79.05488	16.0
81.03411	26.9
84.04491	8.8
84.08146	9.0
85.02905	56.4
86.09693	20.0
86.39718	8.6
87.04459	10.8
93.07027	10.7
95.04972	81.5
96.04491	15.2
97.02882	24.5
97.06562	9.2
105.07053	20.7
107.04958	26.1
109.02877	15.1
109.06548	14.8
110.06047	9.0
111.04439	9.3
114.05532	15.8
115.03904	8.8
117.07062	8.4
120.08115	20.1
121.02883	10.9
121.06504	15.4
122.05989	11.1
123.04431	33.5
125.02373	36.0
127.03911	18.6
133.06503	13.9
134.06039	10.3
135.04440	15.9
136.04720	8.9
137.05971	20.7
139.03909	40.5
140.07010	9.3
145.04936	10.5
147.04442	13.5
148.07472	15.5
149.05995	15.2
151.03909	97.4
152.04135	18.0
152.07132	10.0
153.01807	9.0
153.05495	15.0
163.03909	8.4
165.05450	13.1
166.08633	10.7
167.03426	34.2
175.07507	11.1
177.05402	10.8
179.07050	12.5
190.08656	15.0
193.04987	18.7
195.06480	9.5
204.08662	18.1
206.06503	11.2
208.09836	11.2
211.06056	94.2
218.08116	18.4
224.09180	13.0
229.07068	70.7
236.09164	24.9
240.09187	10.2
243.08830	51.3
250.08124	9.9
253.08566	8.6
268.08969	21.1
268.11823	90.4
268.14819	12.0
269.10184	13.6
275.79327	8.8
286.12857	32.9
287.05502	100.0
349.65616	9.5
448.18045	35.9
449.19055	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	448.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.5
55.01863	0.6
55.05503	0.3
56.05022	1.0
57.03426	0.6
58.06592	0.6
59.04995	0.5
61.02929	1.2
65.03940	0.4
67.01844	0.4
67.05493	1.1
68.05026	0.6
68.99802	0.5
69.03431	3.4
69.07059	0.3
69.28867	0.5
69.29273	2.0
70.06593	0.4
71.04987	0.6
73.02051	0.3
73.02905	0.5
74.06094	1.9
79.05076	0.3
79.05493	3.8
80.05025	0.5
80.10629	0.2
81.03423	1.9
81.07049	3.0
82.06581	1.3
84.04505	7.8
85.02909	5.7
86.06065	0.3
86.09679	0.3
87.04491	0.7
89.03942	0.2
91.05485	3.5
93.05800	0.4
93.07040	1.4
94.02925	1.5
94.06568	1.2
95.04960	1.3
95.08614	0.4
96.04490	0.5
96.08119	0.5
97.02902	2.4
97.06517	0.7
99.04451	0.7
103.05450	0.7
105.07010	0.6
105.84846	0.2
106.06538	0.7
107.04954	8.5
107.08593	0.4
108.04488	0.4
108.05756	0.7
108.08109	1.8
108.79485	0.2
109.02860	0.8
109.06517	1.8
110.06033	1.0
111.04408	0.3
112.03240	0.4
112.03970	6.0
112.07588	0.4
115.05464	0.4
116.07095	0.3
117.07017	0.7
118.06533	1.9
119.04933	2.8
119.07316	0.3
120.04464	2.0
120.08087	0.7
121.02884	0.7
121.06496	1.1
122.06046	1.5
123.04428	0.9
124.03947	0.4
124.07550	0.9
125.02364	0.3
126.05522	3.8
127.03925	1.4
128.03435	0.8
129.01805	0.5
130.04979	0.5
131.04941	0.7
132.08105	0.6
133.06450	0.3
134.05988	0.5
134.09669	1.9
135.04430	1.9
135.08020	0.3
136.03763	0.3
136.07544	1.4
137.02365	0.5
137.05992	1.7
138.05496	1.5
138.09158	0.3
139.03854	1.6
139.07497	0.4
144.06549	5.5
144.08026	0.8
145.02780	0.3
145.05000	0.6
145.06512	0.3
146.06033	1.3
147.04448	2.3
148.07559	1.4
149.02341	0.6
149.05998	0.7
150.09114	0.4
151.07498	0.4
152.07056	4.8
153.01837	4.1
153.05484	0.7
154.08591	0.5
155.07027	0.5
159.04370	0.7
160.07594	0.5
161.02333	0.4
162.05522	0.4
162.09166	3.7
163.03856	0.3
164.07072	2.0
165.05470	1.7
166.04927	0.6
166.08588	0.4
167.03465	0.4
169.74568	0.2
170.08150	2.9
171.02914	0.4
172.07570	1.0
173.05882	0.3
174.05476	0.7
175.03873	0.7
176.07077	0.7
177.05568	0.6
178.08710	1.3
179.07062	0.8
180.06651	0.3
180.10216	1.4
181.05031	0.4
182.08133	0.4
183.06578	0.7
189.05508	0.4
190.08646	2.9
191.07062	0.9
192.06509	0.5
193.04994	0.5
195.06465	0.5
196.09698	1.2
197.08090	0.6
200.07089	0.5
205.08714	0.3
206.08171	1.0
206.10231	0.8
207.06529	0.6
208.07787	0.5
208.09686	6.7
209.07951	0.3
211.06035	4.8
218.08192	1.2
219.06447	0.4
222.11221	1.1
224.06961	0.5
224.09183	10.1
225.07614	1.9
225.09567	0.5
226.10829	0.6
232.09792	0.5
236.09181	2.6
240.12305	4.5
241.04993	0.7
242.10223	1.0
242.13885	0.9
243.08681	1.6
250.10756	4.7
251.11229	0.3
252.12299	0.5
254.10229	0.6
258.05099	0.6
267.26492	0.3
268.11810	22.1
269.04648	0.7
269.12042	0.7
270.13397	2.3
286.04581	0.6
286.12897	4.3
287.05499	100.0
317.06641	0.3
430.17133	1.1
448.18112	6.2
449.10544	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.3832
Annotation	13'-hydroxy-alpha-tocopherol
Peak:m/z	Relative Intensity
55.05507	43.6
57.06794	5.2
57.07072	72.6
60.95502	3.4
62.77128	3.2
67.05489	6.3
69.07068	91.8
71.08632	51.0
71.21435	7.2
73.46367	3.3
78.51578	3.2
79.05475	3.9
81.07048	13.6
83.08616	69.3
84.08927	3.1
85.10177	33.5
95.08614	9.3
97.10165	69.6
99.11723	7.0
105.07001	3.4
107.08598	9.8
109.10150	7.0
111.11718	50.2
119.08572	4.4
121.06474	5.2
123.11649	3.9
125.13251	18.1
135.08032	12.8
136.08820	4.8
137.09645	9.4
139.07542	24.5
139.14886	3.7
149.02316	12.2
149.09718	6.5
151.07591	16.9
153.09094	13.3
157.62675	3.3
159.11746	4.0
163.11211	6.1
164.08334	6.6
165.09116	100.0
169.08585	8.3
177.09119	9.4
179.10727	4.6
181.08578	40.2
189.52483	3.7
191.10617	8.5
205.12228	11.2
246.87628	3.3
334.20447	3.8
376.91159	3.2
429.37485	21.7
430.37921	15.8
447.38321	76.6
448.38745	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	448.181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53637	2.5
53.03933	3.7
57.03424	10.0
57.20801	2.3
58.19427	2.4
61.02914	3.9
62.06075	2.6
67.05510	3.3
69.03428	17.8
69.72997	9.2
69.73427	7.7
70.06589	2.4
71.04981	2.7
72.84486	2.2
74.06061	8.8
79.05485	8.1
79.64262	2.2
81.03403	12.2
81.07037	10.0
84.04501	21.8
85.02906	36.8
86.09688	7.4
87.02703	4.1
87.04440	3.0
91.05461	4.5
93.07027	4.4
94.06622	2.7
95.04978	4.8
97.02895	17.6
97.06529	4.2
99.04478	3.5
103.03949	4.5
105.07036	3.2
106.06558	2.9
107.04943	21.5
107.08578	3.4
108.05717	3.1
108.08133	3.4
109.02819	4.4
109.06501	13.5
110.06017	3.4
111.04369	2.6
112.03941	9.3
112.07639	2.7
116.07071	5.3
122.06068	2.6
123.04444	5.2
123.08071	3.8
125.05959	11.0
126.05568	2.7
127.03888	13.3
128.03410	16.7
129.01816	2.6
134.09648	5.9
135.04369	6.7
135.07953	2.8
136.05215	5.1
136.07568	5.9
137.05977	16.0
139.03915	3.8
144.06581	12.3
145.04958	5.6
145.06569	2.6
146.06073	3.1
147.04399	3.5
148.35278	2.9
149.06009	5.4
150.09103	2.8
151.03862	3.7
152.07025	4.2
153.05447	18.4
154.08620	20.1
162.09145	7.5
163.07524	4.6
164.07033	10.2
165.05408	6.1
167.07016	33.2
168.07811	70.1
179.06825	2.2
180.10191	8.3
181.08664	2.9
181.68480	2.5
183.06671	2.6
190.08536	4.5
192.06554	3.9
192.10130	3.7
197.08058	7.6
206.10152	2.9
208.09689	14.6
211.09665	2.9
212.10414	77.5
213.11111	5.6
218.07970	4.3
220.24695	2.7
222.11285	11.7
224.09172	39.1
224.12646	5.5
225.07561	3.2
236.09183	5.9
240.12305	15.6
250.10751	11.1
252.12265	3.6
254.10515	3.7
268.11810	100.0
270.13290	4.5
286.13031	7.3
287.05496	45.5
430.16779	5.5
448.18365	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	447.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66462	1.7
53.03942	9.1
53.25569	1.8
55.01878	11.8
55.05513	31.6
57.03445	17.6
57.07081	2.1
65.03925	3.7
66.05521	1.9
67.05505	75.2
67.14281	2.1
69.03424	6.0
69.07065	22.7
69.29708	7.9
69.30140	8.1
71.01360	3.3
71.04990	7.0
79.05496	73.9
81.03421	100.0
81.07059	47.2
83.04983	21.5
83.08617	23.3
85.02919	3.3
85.06564	5.8
85.44648	1.8
90.71463	1.9
91.05473	67.4
93.07042	68.1
95.04966	47.3
95.08603	22.8
97.02911	3.7
97.06521	16.2
97.10168	19.1
98.98467	9.0
105.04487	2.3
105.07037	36.9
107.04957	20.3
107.08591	42.7
109.06509	12.9
109.10159	13.1
111.04453	7.6
111.08065	10.0
115.05482	5.5
117.07014	21.3
119.04946	2.1
119.08585	29.0
119.09386	2.6
121.02876	2.5
121.06519	16.9
121.10141	13.4
123.08044	5.0
125.09639	10.8
128.06258	3.0
129.07001	20.9
130.07823	2.4
131.08572	25.7
133.06514	7.0
133.10130	16.1
135.08098	10.1
135.11693	43.2
137.06064	2.8
137.09630	4.3
139.03929	5.6
141.06985	3.4
142.07787	5.4
143.08600	7.9
145.06497	5.4
145.10123	20.4
147.08075	7.2
147.11681	13.0
149.02380	6.3
149.09628	10.8
151.07419	2.1
151.11229	2.2
153.09128	2.3
153.12721	1.9
155.08591	3.9
157.10104	14.1
158.93845	1.9
159.08098	2.6
159.11725	6.3
161.09634	4.3
161.13235	2.2
163.03957	2.6
163.11186	12.2
165.09113	3.8
165.12810	4.6
167.08647	1.8
169.10176	5.3
171.11690	1.8
173.13345	3.3
175.11154	13.0
175.14851	1.8
176.76663	1.9
177.12836	2.6
181.12297	5.4
183.11794	3.6
185.13318	4.2
185.51602	1.8
187.11153	2.6
189.11269	3.3
193.12224	35.4
195.11665	2.9
197.13361	2.1
199.46617	1.8
203.03496	3.3
203.14330	2.5
205.12170	2.3
211.13167	2.5
219.13934	2.0
229.05174	2.0
243.13918	2.5
249.14919	7.1
257.04446	21.0
257.19156	2.3
271.06079	2.9
275.20084	18.9
275.28394	1.9
285.03903	3.7
293.21201	5.7
311.20197	3.7
320.47079	1.8
327.23218	3.6
329.21265	8.4
337.21774	4.8
347.22253	3.1
349.23685	23.4
355.18961	5.5
355.22778	11.4
361.02731	2.3
373.23911	5.2
403.24890	7.6
429.27039	9.2
436.15555	1.9
447.27567	93.7
448.27942	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	447.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08287	3.7
51.21865	3.7
51.76042	3.7
51.88525	3.6
53.03939	5.8
54.65245	4.3
55.01864	4.5
55.05500	17.1
57.03441	11.9
57.07069	3.8
65.03948	3.9
67.05505	76.3
69.03410	4.0
69.07071	11.0
69.76936	29.8
79.05503	41.6
81.03434	23.2
81.07059	63.5
83.04978	9.5
83.08613	18.4
85.02912	4.9
85.06539	4.5
91.05439	35.5
93.07038	48.6
95.04967	14.1
95.08601	55.6
97.06516	5.0
105.07039	18.6
106.03732	4.5
107.04951	7.2
107.08604	28.3
109.06519	6.0
109.10157	14.7
111.08107	5.2
112.99314	7.6
113.00018	73.9
115.92342	4.0
117.07043	9.3
119.08585	12.1
121.10143	19.1
123.11694	5.4
126.22650	4.7
129.06981	7.9
131.08588	18.6
133.10127	20.7
135.11702	21.4
143.08578	5.2
145.10127	12.4
147.11691	7.8
149.02318	9.5
149.13292	9.0
159.11754	8.0
161.13242	5.5
169.02582	32.3
187.03674	5.6
193.12215	12.4
195.11916	4.4
203.03534	6.1
241.54060	4.5
243.21025	19.9
257.04486	25.1
261.22214	24.6
283.18390	4.8
294.30859	4.6
317.24658	8.0
335.25803	100.0
429.26172	7.2
447.27679	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	447.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	2.3
57.03413	0.9
58.99847	1.5
67.05507	4.1
69.03396	0.6
69.07073	2.9
71.04988	0.6
71.26184	0.8
71.26521	0.7
77.00909	11.2
79.05482	4.8
81.03407	4.7
81.07058	4.4
83.04964	2.2
83.08623	1.8
85.02893	0.8
88.53922	0.6
91.05423	3.2
93.07040	4.4
95.01952	8.6
95.04970	3.4
95.08578	1.5
97.06514	1.1
97.10153	0.8
98.98466	0.8
99.00826	0.7
100.02467	1.4
105.07026	2.4
107.04935	1.3
107.08591	2.3
109.10140	1.5
111.04440	1.4
117.07010	1.0
119.08579	2.1
121.06471	0.9
121.10126	0.8
123.11691	0.7
129.05421	0.6
129.06976	1.1
131.08511	0.9
133.06555	0.6
133.10141	1.0
135.08051	0.8
135.11694	1.7
139.03952	1.1
145.10172	1.2
147.11635	0.8
149.02290	0.8
157.10132	1.1
159.11667	0.8
163.03880	0.7
163.11160	1.2
173.06506	0.8
175.11301	0.5
193.04872	0.7
193.12242	2.0
197.10194	6.8
201.09671	0.8
203.03352	0.8
209.10149	0.9
213.09711	0.9
215.11293	51.9
216.11488	3.2
220.11821	1.0
223.11845	1.2
227.11252	2.4
233.09967	1.1
233.12331	21.8
235.11664	4.1
238.12936	4.3
241.12813	3.6
253.12857	29.1
254.13037	1.9
256.13992	0.9
257.04520	4.3
271.13901	57.8
272.14114	3.7
275.20059	0.9
276.14465	5.7
285.03940	0.9
290.81598	0.6
294.15570	4.8
355.18881	1.3
361.02545	0.8
447.25961	100.0
448.26199	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	447.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55051	2.6
53.03954	6.0
55.01870	40.9
55.05499	23.2
55.77649	2.9
57.03411	9.7
65.03931	3.8
67.05500	42.0
69.03408	4.4
69.07064	32.1
71.04945	4.1
71.50497	3.3
79.05490	47.8
81.03413	15.1
81.07051	50.3
83.04955	12.4
83.08609	9.8
88.78529	2.7
91.05452	40.9
93.07034	36.5
95.01327	5.6
95.04967	17.1
95.08602	28.3
97.06523	83.6
97.10091	5.9
98.85653	2.9
98.98472	18.4
105.07030	46.2
107.04945	25.2
107.08562	24.0
109.06478	8.2
109.10123	9.8
111.04411	3.7
111.08124	6.2
117.07013	15.6
119.08577	27.8
121.06480	7.7
121.10104	11.0
123.08054	5.5
125.09605	6.4
131.04895	2.8
131.08565	19.0
133.10109	32.1
135.08043	7.9
135.11679	10.8
137.06001	3.5
137.09631	6.0
139.07463	4.3
143.08533	4.5
145.06496	4.4
145.10117	14.6
147.11667	16.7
149.02350	5.9
149.09604	13.2
151.11127	4.4
155.01062	3.8
155.08540	4.0
159.11638	11.9
163.11127	13.0
165.12755	3.7
171.11641	4.3
173.13217	5.1
176.55241	2.8
177.12685	7.1
179.14288	11.1
207.13824	2.9
212.17297	2.8
219.17328	4.3
229.19469	4.6
239.17987	4.1
247.20567	6.2
257.04495	22.6
257.19046	9.3
271.06039	2.9
275.20056	87.2
280.39243	3.2
290.59549	2.9
293.21185	17.3
349.23712	100.0
367.24847	6.8
429.20590	5.4
447.21802	7.2
447.28165	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	447.1499
Annotation	Bungeiside D
Peak:m/z	Relative Intensity
54.40882	4.2
67.05471	7.0
69.03409	11.3
70.17159	21.1
75.31247	4.4
79.05479	17.3
81.03412	14.0
85.02888	11.8
86.09692	21.0
87.04451	6.4
91.05480	24.6
93.07018	10.8
95.04971	51.6
103.05435	5.9
105.07043	23.5
107.04934	15.6
109.02732	5.4
109.06497	5.8
115.05396	7.0
117.07079	5.3
119.08579	15.0
121.06495	13.4
123.04444	30.5
123.08134	7.3
125.02357	14.1
129.06984	19.9
131.04944	5.8
131.08539	8.2
133.02861	13.3
133.06525	24.6
135.04391	12.2
137.05832	5.3
145.06511	7.7
147.08051	36.8
149.06013	10.6
151.03908	100.0
153.05467	22.1
157.06528	15.4
159.04411	14.0
159.08026	6.1
161.02286	7.6
161.05927	10.0
165.09123	5.3
169.04990	10.9
175.07503	31.3
177.05478	9.3
179.06996	6.9
185.05923	12.2
195.06586	6.1
197.04453	8.3
197.08170	6.9
203.07018	26.6
221.08055	40.0
239.09166	29.8
249.07661	29.4
267.08627	72.5
285.09583	44.8
286.10568	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	445.3675
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	4.6
55.01867	3.9
55.05518	28.1
55.62981	4.2
57.07074	40.9
62.46742	3.7
67.05505	12.6
67.95488	4.1
69.06738	5.3
69.07073	69.6
70.98872	7.7
71.08640	22.4
79.05456	10.6
81.07053	51.4
83.08628	39.1
85.10181	20.5
85.22375	3.5
91.05822	5.7
93.07047	29.0
95.08601	46.1
97.10186	28.1
105.07009	5.2
107.08591	20.2
109.10168	21.3
110.87195	3.8
111.08043	10.0
111.11711	20.2
119.08636	3.9
121.06554	6.7
121.10117	16.2
121.58100	3.8
123.08062	9.4
123.11720	10.5
125.13284	6.3
135.11679	17.9
137.05983	7.2
139.06529	7.3
139.07544	100.0
147.70383	3.4
149.09648	8.9
149.13254	16.8
151.07510	11.8
151.76051	3.7
157.32266	3.7
161.09586	4.9
163.14813	12.5
165.05496	16.7
165.09137	15.3
177.09074	5.2
177.16434	7.0
193.08591	13.6
203.10701	5.3
217.12259	9.3
221.11887	4.6
289.28815	19.2
307.30029	29.9
409.40317	4.0
417.37091	5.9
427.35559	5.9
445.36749	50.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03139	1.1
53.03955	2.5
55.01851	1.9
56.05037	1.2
65.03934	1.5
67.05497	3.9
68.05029	2.7
69.03423	3.7
69.77972	1.1
70.06596	12.2
71.01325	1.2
71.48801	2.5
73.02912	1.6
73.04760	3.4
73.99370	1.2
74.02437	31.9
77.03918	1.4
79.05506	6.1
79.12864	1.1
80.05014	10.1
81.03419	3.3
81.07050	2.6
83.01321	1.7
85.02895	8.3
87.45481	1.3
91.05380	3.0
91.05802	5.0
91.79562	1.1
93.07030	3.1
95.04962	36.2
95.08607	2.6
97.02894	4.1
103.05469	2.6
105.03388	1.6
105.07023	7.1
106.06514	2.4
107.04954	17.8
108.08157	1.4
109.02870	4.9
109.06509	4.5
114.05528	2.7
115.05497	1.3
116.07059	1.9
117.06991	3.1
119.08562	4.4
121.06485	4.5
122.06029	2.0
122.09646	1.5
123.04425	18.0
123.08060	3.4
125.02351	10.7
125.06032	1.5
126.05507	20.6
127.03889	1.6
128.06241	1.6
129.07002	6.8
131.04886	3.3
131.08534	6.1
132.08084	5.4
133.02840	2.5
133.06447	4.6
135.04430	4.1
137.05980	1.6
141.05438	4.4
145.06500	2.2
146.09616	2.0
147.08044	16.7
148.07530	2.4
149.05980	4.2
149.09560	2.2
150.05492	9.2
150.09125	3.4
151.03893	61.1
151.07463	2.3
152.07019	6.1
153.05496	10.3
157.06444	3.4
159.04404	3.2
163.07533	2.0
164.10730	1.5
165.09015	2.2
167.03317	1.3
167.05583	3.2
169.04948	1.6
174.09158	5.4
175.07523	8.1
176.10696	3.3
177.05469	6.3
177.09114	5.4
178.08560	6.3
179.03467	1.5
185.05978	3.5
191.07033	5.0
192.10191	4.3
193.08578	11.0
194.11766	4.6
195.06462	9.7
196.05983	6.0
202.08609	7.7
203.06943	3.3
209.08073	1.7
211.09613	4.7
213.05833	1.3
213.07524	7.1
214.07098	7.0
220.09694	28.9
221.07997	2.7
222.11243	8.3
238.10728	70.2
240.12280	2.3
242.16907	1.4
248.09161	9.7
256.11682	1.7
266.10233	42.0
267.29153	1.3
284.11267	100.0
285.11649	2.2
325.26971	1.3
360.02853	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	445.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	12.4
55.01861	4.7
55.85549	4.8
64.67603	3.8
66.65366	3.9
67.05500	7.0
69.03422	14.7
69.72929	22.2
70.06577	6.1
71.04979	6.8
73.02894	6.0
73.04744	15.9
77.03920	4.0
77.21247	4.3
79.05492	24.3
81.03429	7.4
81.07054	5.6
83.04983	4.6
85.02914	7.5
91.05387	12.5
91.05802	21.4
93.07039	22.7
95.04961	97.9
97.02895	12.5
98.21442	7.5
103.05464	14.3
105.07036	12.8
107.04936	35.9
109.02896	5.8
109.06502	11.0
111.04363	4.7
115.05460	4.9
117.06993	26.4
119.04993	4.2
119.08588	7.8
121.02858	35.8
121.06494	35.6
123.04437	32.6
125.02363	82.1
129.06995	5.8
131.04956	13.8
133.06435	7.7
135.08032	7.1
139.03967	8.6
145.06470	31.6
147.04388	5.2
147.08061	12.6
149.02347	35.8
149.04857	6.1
149.05971	39.1
151.03909	85.7
153.05496	13.2
159.04419	14.4
161.05945	4.4
163.07536	13.5
165.05490	6.7
167.03430	12.4
167.05635	14.5
172.59421	4.6
173.05994	29.2
175.07579	9.3
177.05428	24.4
191.07011	36.1
195.02945	4.6
195.06558	16.9
201.05397	31.9
205.04866	4.4
213.03889	23.5
219.06512	28.7
225.04280	8.1
234.99071	5.0
237.07596	14.0
241.28203	4.3
247.06017	19.9
265.07101	37.4
283.08109	100.0
284.08539	7.0
359.02747	16.9
359.88757	4.5
371.64050	4.4
372.89957	4.8
445.10834	23.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3676
Annotation	Topsentisterol C4
Peak:m/z	Relative Intensity
53.03948	5.7
55.01854	4.3
55.05514	32.7
57.07079	42.8
65.03957	5.1
65.60782	3.2
67.05508	36.4
69.03396	5.2
69.07069	75.0
71.01350	3.6
71.08633	30.6
71.53100	6.1
78.06235	3.3
79.05493	32.1
81.06599	5.3
81.07058	98.2
83.08614	25.2
85.10159	18.8
87.37988	3.5
91.05453	32.2
93.07043	65.5
95.04984	4.7
95.08607	100.0
97.10169	26.9
105.07026	68.0
107.08599	72.5
109.06505	4.7
109.10159	46.0
111.11713	10.8
117.07008	13.0
119.08582	62.2
121.10139	45.1
123.08051	4.7
123.11737	22.2
125.13185	3.8
129.06982	7.9
131.08582	43.6
133.10129	42.3
135.08018	3.4
135.11696	22.7
137.13246	13.8
143.08549	13.6
144.09349	3.8
145.09068	5.2
145.10124	53.6
147.11678	35.1
148.05563	3.6
149.09593	5.5
149.13275	17.3
151.14893	4.2
155.07027	9.9
157.10129	13.9
159.11682	39.3
161.09669	4.7
161.13321	20.2
163.11295	4.3
163.14828	9.5
165.09120	12.5
171.11702	13.0
173.13277	15.5
175.11244	4.9
175.14906	5.1
177.16373	3.6
179.10648	6.3
185.13319	11.0
187.14859	11.4
189.16405	11.0
191.10687	13.8
193.12402	3.4
199.14819	5.4
201.16383	9.2
203.17935	8.5
205.12265	9.4
213.16333	4.8
227.18036	5.9
233.15430	5.7
241.19466	4.0
245.15384	7.2
247.16998	3.9
247.24271	5.7
261.25751	6.7
263.16376	5.4
273.18442	9.6
287.20053	8.5
287.27438	4.0
291.23953	4.2
305.21060	5.0
341.31906	10.6
343.33582	23.7
359.02734	5.1
367.33710	5.4
381.14029	3.6
409.34933	3.8
427.35797	39.7
445.29974	8.3
445.36731	71.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82866	4.3
55.01865	5.4
55.05499	17.6
56.96539	3.6
59.13214	4.3
67.05496	26.2
69.07061	10.0
71.51093	4.8
79.05489	26.1
81.03408	7.1
81.07047	30.8
83.08625	17.3
91.05437	28.2
93.07053	25.1
95.04974	30.2
95.08609	21.9
97.10164	5.3
105.07014	31.1
107.04912	12.1
107.08572	27.7
109.06491	5.8
109.10152	12.6
111.08051	6.5
117.07025	12.4
119.08589	36.8
121.06528	7.5
121.10158	12.7
125.09639	8.6
131.08540	16.8
133.10179	26.1
135.07072	4.4
135.08116	5.6
135.11658	7.4
145.10089	21.0
147.08046	4.8
147.11690	15.7
149.09592	26.1
151.03889	13.6
152.04228	7.6
159.11743	8.2
163.11151	25.2
169.10135	6.5
171.11705	5.6
173.13181	7.8
184.07397	4.9
197.71703	4.5
223.13297	22.2
239.17967	8.3
245.37007	5.0
257.19092	12.5
275.20056	100.0
283.31229	4.8
293.21100	40.5
359.02853	4.5
365.68094	4.3
444.24619	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	445.1104
Annotation	Unknow
Peak:m/z	Relative Intensity
61.20460	2.6
71.02478	5.2
111.05388	2.8
190.24564	2.5
250.71307	2.8
283.46719	2.5
310.58185	2.9
318.04309	2.8
359.76538	3.0
427.01563	2.9
445.11087	100.0
445.16895	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	445.1107
Annotation	Griseusin A
Peak:m/z	Relative Intensity
56.96563	11.9
57.03442	4.1
61.02915	6.0
69.03414	12.3
71.49502	6.4
80.12080	4.4
81.03413	5.5
85.02892	32.0
87.04449	5.7
91.05821	7.0
97.02888	20.0
98.97577	29.9
107.04968	3.9
110.97558	9.4
116.98624	15.3
119.01945	11.6
122.03593	3.8
123.04391	4.4
127.03969	6.3
128.98622	16.0
131.01917	13.3
133.03497	5.8
137.05981	13.5
143.01935	4.3
144.97964	3.7
145.03467	7.7
146.99692	6.3
147.04425	7.2
152.05682	8.6
155.01898	7.1
168.02736	3.9
173.02965	16.9
175.04456	4.1
177.00871	9.1
179.07129	5.4
181.03473	11.2
203.04045	5.3
203.88129	3.7
205.03510	6.3
211.02824	5.5
217.03847	4.4
219.00043	4.5
219.01859	21.9
219.05177	5.4
221.05090	14.1
222.86176	3.7
223.04633	9.8
227.02487	4.7
231.01962	8.0
231.05376	4.0
233.03487	6.2
237.02861	29.9
239.06020	4.9
241.03690	4.0
243.02014	5.2
244.04361	9.8
245.11230	3.5
247.04576	5.4
249.06088	4.1
257.06061	5.1
259.04810	8.9
271.04968	9.8
283.05054	11.2
289.05902	6.3
294.05972	9.4
295.06842	5.8
301.05966	9.0
307.06552	9.1
309.08359	6.0
313.06244	4.4
335.02203	3.7
337.07651	7.5
349.07477	20.8
355.08612	15.7
359.02710	7.6
364.03528	5.3
367.08411	6.4
373.08243	8.3
385.08643	36.3
397.13367	7.1
403.09320	30.6
415.09073	4.9
445.11032	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	9.9
55.01870	17.1
55.05498	17.8
57.03434	7.2
59.05000	3.3
64.94238	3.7
65.03916	3.6
67.05508	40.5
69.03424	5.6
69.07053	27.6
71.04978	6.2
71.51360	5.4
73.02912	3.4
76.03539	3.3
76.09507	3.0
79.05029	4.4
79.05489	77.6
81.03411	20.9
81.06602	6.8
81.07053	100.0
82.07399	3.5
83.04967	9.8
83.08617	4.6
91.05474	50.4
93.06501	4.7
93.07037	65.1
95.04956	34.6
95.08601	34.9
96.52388	3.1
97.02892	5.0
97.06510	14.0
99.08065	6.0
103.05462	3.9
105.07029	35.3
107.04951	21.4
107.08585	41.4
109.06508	86.9
109.10131	15.1
111.08044	4.7
115.05395	3.7
117.06998	18.2
119.04926	5.0
119.08586	24.4
121.06496	33.4
121.10172	18.7
123.04448	5.5
123.08057	48.7
125.05949	5.5
125.09601	6.6
128.06241	4.3
129.06987	15.1
131.04907	7.7
131.08521	26.6
133.02809	6.8
133.06430	9.3
133.10100	8.3
135.04340	5.3
135.08031	42.5
137.09592	13.5
143.07016	5.1
143.08557	10.8
145.02757	6.3
145.06482	6.3
145.10101	12.5
147.04326	4.9
147.08060	17.4
147.11687	4.3
149.09628	31.2
151.03928	3.8
151.07504	14.4
153.05443	3.7
155.04836	3.9
157.06448	4.9
157.10081	7.8
159.04448	8.5
159.08020	13.3
161.02338	8.4
161.09592	11.9
163.03883	53.5
163.07474	7.9
163.11186	8.0
165.05426	12.7
165.09120	22.9
167.07040	16.5
167.08344	4.8
171.11761	4.7
173.02333	47.4
173.05893	4.3
173.09660	5.2
173.13181	4.3
175.03935	5.0
175.07544	8.6
175.11192	5.7
177.09108	12.1
180.71538	3.3
183.04391	4.9
183.11781	3.6
185.09660	6.3
187.03963	21.8
187.07468	5.5
189.05455	7.9
189.12761	6.1
191.06944	6.0
191.10649	9.9
195.10185	5.2
199.03842	33.9
199.11157	4.7
199.14772	13.0
201.05441	7.9
203.14294	4.2
205.12178	6.4
213.05350	5.5
217.15808	10.4
227.14247	12.0
229.08554	4.3
233.09753	3.8
235.07513	4.1
237.09131	4.1
245.15363	23.2
247.07516	6.6
251.06924	4.3
253.08543	3.3
255.10060	5.2
257.11935	3.9
262.15588	6.5
263.16415	28.4
264.16940	3.4
265.08508	5.0
269.08124	5.9
271.09760	4.0
279.10007	6.2
283.09671	17.8
285.11124	6.0
291.10114	8.2
295.09631	6.3
297.11197	5.4
309.10883	4.1
319.09845	4.3
325.10693	5.2
339.12286	44.2
340.12778	4.0
351.11896	4.2
352.12903	4.2
357.13147	6.8
365.10352	3.9
383.14810	19.0
389.17221	4.7
407.18506	29.0
425.19583	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	443.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66075	3.4
53.03947	9.3
53.92035	3.4
55.01873	10.3
55.05504	16.2
57.03432	7.8
65.03959	4.6
67.05509	35.8
69.03427	8.7
69.07074	30.2
71.04966	6.6
71.51448	7.1
79.05495	66.7
81.03403	24.3
81.07059	100.0
83.05003	5.8
83.08614	8.7
86.09663	3.6
88.77472	3.6
91.05476	51.8
93.07050	53.9
95.04963	37.1
95.08617	18.7
97.06544	11.2
99.08090	5.0
103.05479	5.9
105.04543	3.7
105.07042	26.1
107.04938	18.1
107.08585	37.1
109.06521	57.2
109.10143	12.3
111.08083	5.5
115.05450	5.1
116.10759	4.6
117.06992	13.6
119.04935	6.1
119.08603	36.1
121.06506	16.5
121.10139	12.8
122.44363	3.4
123.08062	37.0
123.11700	3.7
129.07025	11.2
131.04918	7.5
131.08571	21.8
133.06454	8.7
133.10114	11.9
135.04382	5.9
135.08064	29.0
137.06052	6.6
137.09650	10.5
142.07770	4.0
143.07002	4.5
143.08545	11.1
145.06474	7.4
145.10152	13.9
147.04416	4.4
147.08043	20.6
149.09604	16.3
151.03862	6.2
151.07567	9.0
157.10143	13.3
159.04387	8.7
159.08072	11.5
159.11758	7.0
161.02293	3.7
161.09642	16.4
163.03937	46.1
163.07556	6.4
165.09111	13.1
167.07065	13.3
171.08095	4.3
171.11719	6.7
173.02344	33.5
173.05974	5.3
175.03906	6.3
175.07512	5.1
177.09081	5.5
179.08478	4.7
185.13213	4.3
187.03903	21.9
195.10153	6.3
199.03938	20.5
199.14871	14.5
201.05457	8.0
207.08151	5.2
213.05511	9.0
217.15886	12.1
225.05536	6.8
227.14313	8.2
232.73749	3.9
239.10760	8.9
242.38474	4.3
245.15427	27.6
255.10161	3.8
263.16483	43.6
283.09665	16.9
297.11032	5.4
319.09839	4.7
321.11298	5.6
339.12305	15.0
345.24725	8.2
369.84073	3.7
383.15118	6.5
389.17477	7.9
407.18619	30.0
425.19641	9.7
443.17126	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	443.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66075	3.4
53.03947	9.3
53.92035	3.4
55.01873	10.3
55.05504	16.2
57.03432	7.8
65.03959	4.6
67.05509	35.8
69.03427	8.7
69.07074	30.2
71.04966	6.6
71.51448	7.1
79.05495	66.7
81.03403	24.3
81.07059	100.0
83.05003	5.8
83.08614	8.7
86.09663	3.6
88.77472	3.6
91.05476	51.8
93.07050	53.9
95.04963	37.1
95.08617	18.7
97.06544	11.2
99.08090	5.0
103.05479	5.9
105.04543	3.7
105.07042	26.1
107.04938	18.1
107.08585	37.1
109.06521	57.2
109.10143	12.3
111.08083	5.5
115.05450	5.1
116.10759	4.6
117.06992	13.6
119.04935	6.1
119.08603	36.1
121.06506	16.5
121.10139	12.8
122.44363	3.4
123.08062	37.0
123.11700	3.7
129.07025	11.2
131.04918	7.5
131.08571	21.8
133.06454	8.7
133.10114	11.9
135.04382	5.9
135.08064	29.0
137.06052	6.6
137.09650	10.5
142.07770	4.0
143.07002	4.5
143.08545	11.1
145.06474	7.4
145.10152	13.9
147.04416	4.4
147.08043	20.6
149.09604	16.3
151.03862	6.2
151.07567	9.0
157.10143	13.3
159.04387	8.7
159.08072	11.5
159.11758	7.0
161.02293	3.7
161.09642	16.4
163.03937	46.1
163.07556	6.4
165.09111	13.1
167.07065	13.3
171.08095	4.3
171.11719	6.7
173.02344	33.5
173.05974	5.3
175.03906	6.3
175.07512	5.1
177.09081	5.5
179.08478	4.7
185.13213	4.3
187.03903	21.9
195.10153	6.3
199.03938	20.5
199.14871	14.5
201.05457	8.0
207.08151	5.2
213.05511	9.0
217.15886	12.1
225.05536	6.8
227.14313	8.2
232.73749	3.9
239.10760	8.9
242.38474	4.3
245.15427	27.6
255.10161	3.8
263.16483	43.6
283.09665	16.9
297.11032	5.4
319.09839	4.7
321.11298	5.6
339.12305	15.0
345.24725	8.2
369.84073	3.7
383.15118	6.5
389.17477	7.9
407.18619	30.0
425.19641	9.7
443.17126	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	443.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	1.7
63.63725	1.4
65.03946	2.1
65.83554	1.3
67.05500	3.2
69.07049	1.6
69.10364	1.5
69.72409	2.8
69.72822	6.3
71.97350	1.5
78.04693	2.5
79.05496	7.0
81.03415	2.3
81.07053	4.6
81.60918	1.5
91.05492	11.4
93.03390	2.0
93.07040	3.2
95.04947	3.2
95.08599	3.7
103.05473	5.6
105.07028	15.8
106.04152	2.2
107.04957	5.4
109.10155	3.9
109.74052	1.3
110.03668	2.4
111.04443	3.5
115.05438	8.3
117.07037	4.0
118.04156	1.7
119.04949	2.2
119.08572	7.7
121.06493	3.9
121.10172	1.6
122.03663	1.9
123.04427	8.0
123.11755	1.5
124.05267	3.2
125.05982	7.2
128.06207	4.4
129.07004	9.2
131.04938	7.7
131.05817	1.5
132.05728	4.2
133.06456	8.1
137.05969	5.6
137.09608	6.5
141.06982	2.9
144.05717	3.3
145.06525	4.9
146.06058	2.0
147.04390	4.0
147.08093	7.0
149.05943	2.2
151.03911	4.3
151.07532	20.1
152.04756	2.3
153.05475	9.4
155.06989	2.0
157.06497	3.1
157.97069	1.4
159.08018	8.3
160.05222	3.2
161.05986	14.0
165.05589	1.6
165.07021	1.8
165.09111	47.5
166.06325	2.3
167.07033	100.0
168.07388	2.2
171.04427	1.9
172.05202	4.2
173.05986	4.1
174.06819	1.7
175.07536	51.3
175.09059	3.2
177.05515	3.9
177.09167	2.1
178.07822	1.8
178.72560	1.4
179.07095	3.6
182.98503	1.9
186.06772	3.0
187.03949	1.5
187.07541	20.3
187.57373	1.4
189.05475	3.2
189.07039	3.3
189.09004	2.0
191.07014	3.7
191.08595	5.2
191.10448	1.4
194.07253	2.4
195.08038	1.8
199.07561	10.5
201.05467	2.3
201.09145	2.1
202.07835	4.4
203.08591	5.4
205.06483	2.4
205.08429	1.7
205.12178	3.1
206.07263	3.3
207.06534	5.3
207.08241	3.0
207.09863	1.5
209.08015	3.4
215.08595	2.8
217.08502	2.8
217.12291	1.8
218.07280	4.1
219.08063	11.1
220.08838	4.4
221.09673	3.5
229.08611	2.4
231.08061	5.8
232.08775	2.9
233.06044	3.1
233.09650	5.1
234.06754	3.8
234.10565	2.5
235.07472	5.6
236.08252	2.7
237.09134	4.7
239.06921	2.3
239.09096	15.9
245.06026	2.4
245.09657	2.4
246.06790	4.3
247.07550	8.4
248.08385	8.5
249.09090	8.3
250.06276	2.7
250.09700	1.7
251.10686	4.8
259.07556	4.9
260.08316	3.4
261.05402	2.7
261.09155	5.6
262.06061	2.1
262.09790	2.7
263.07031	3.0
263.10693	4.8
263.83270	1.5
264.07864	5.1
265.08618	10.0
265.11761	1.9
267.10083	1.4
273.08972	3.6
274.09854	1.6
275.06973	5.5
276.07788	6.8
277.08542	9.0
278.09250	4.0
279.10190	7.7
281.11743	3.8
288.07889	2.3
289.08563	4.7
290.09341	3.0
291.06833	2.4
291.10132	8.8
292.07352	3.4
292.10995	1.9
293.08105	7.7
293.11499	3.4
297.11133	1.6
301.10870	3.9
304.07285	3.2
305.07965	4.0
305.11520	2.6
306.08908	2.8
307.09668	6.2
308.10406	4.6
309.11163	6.6
311.12756	1.9
315.78922	1.4
319.09637	9.0
320.10416	5.4
321.07813	2.4
321.11169	8.3
323.12753	5.3
324.13495	5.8
333.11041	2.1
334.11938	2.5
336.09506	1.5
336.13583	2.1
337.10666	6.4
339.12247	96.6
340.12982	16.6
351.12265	20.5
352.12982	12.1
353.13864	2.5
383.15009	20.6
420.49536	1.6
425.15823	5.3
443.17429	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	443.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	3.4
57.03440	1.8
58.32295	0.9
61.02909	2.5
69.03423	4.8
69.59753	5.4
73.02904	1.2
81.03408	2.3
84.96056	1.1
85.02901	8.8
87.04485	0.9
91.05454	1.4
93.03381	1.1
97.02898	9.3
98.20862	2.1
98.85646	0.9
98.97584	4.7
99.04457	1.2
101.00884	4.9
107.04918	1.2
109.02876	2.2
110.97573	1.4
113.00901	0.9
115.02430	1.1
116.78883	0.8
116.98620	4.0
119.01929	19.1
119.04890	2.0
120.08081	1.0
122.03682	2.1
123.07921	1.8
127.02368	1.3
127.03913	2.3
128.98586	2.5
131.01201	0.8
131.01926	8.5
131.04880	1.9
133.03448	1.4
134.99623	2.4
137.03024	6.7
137.05981	100.0
138.06348	2.0
138.53506	0.9
143.01891	6.6
145.03462	9.4
146.99600	1.5
147.04399	2.6
149.02893	1.8
155.01897	9.5
156.02733	1.1
157.03490	4.7
158.99677	2.2
161.02962	19.7
161.04263	0.7
163.04478	1.5
163.07590	2.3
165.00754	1.0
167.01910	1.5
168.02647	1.0
169.03445	1.6
170.99718	1.0
173.02972	11.9
175.04459	1.8
177.00732	1.5
179.01900	1.3
179.03981	1.1
181.03416	4.9
184.04637	0.9
185.02997	7.2
187.04485	3.1
189.00594	1.4
193.00240	1.0
195.05075	9.3
197.01253	1.3
197.02982	14.4
199.04509	1.3
201.00697	1.8
203.04028	6.3
204.02533	1.0
207.01730	1.0
207.05011	1.6
209.06485	1.5
210.01984	1.1
213.06073	2.0
214.06866	1.1
215.04030	2.6
217.05513	1.2
219.01764	1.9
219.05014	11.9
221.04913	6.9
221.06857	1.0
222.03741	3.2
223.04485	2.1
224.05382	1.9
225.06094	1.0
231.05008	3.5
233.06696	2.2
236.05276	2.4
237.02864	2.6
237.06082	22.8
238.06345	1.8
239.07578	1.4
245.05043	43.8
246.05179	1.0
247.04512	1.7
248.05348	1.9
249.06100	4.9
251.07732	5.8
259.04565	1.8
260.05173	1.4
260.07690	1.4
263.05878	13.9
266.06238	3.0
269.08743	2.0
275.07635	1.9
281.08722	36.6
282.01331	1.6
282.08963	2.3
286.07730	2.5
289.05469	1.4
293.08707	8.7
294.05688	1.4
294.08823	1.3
295.10263	1.9
299.09723	13.5
302.06219	2.7
304.10260	1.3
307.06750	2.8
309.08096	1.1
311.09512	1.8
317.08823	1.0
320.07321	2.7
321.08115	1.3
322.11514	2.4
323.06049	1.0
323.09662	5.8
337.07556	2.6
350.08432	3.9
353.10812	2.1
355.08755	1.1
365.10699	2.2
368.09473	4.9
383.11908	51.2
384.11987	3.4
401.12970	2.0
443.14209	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.159
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03462	3.2
55.04243	3.5
55.28456	0.9
60.04517	0.9
63.34678	0.7
69.03407	3.2
71.49775	1.1
77.37355	0.8
79.05446	1.2
80.05000	1.0
81.03418	1.4
81.04539	21.2
82.05317	8.0
85.02904	5.1
87.04459	1.4
89.07195	1.2
97.02892	1.4
107.04915	1.0
110.68112	0.9
110.84860	0.7
122.07150	100.0
123.07933	91.1
126.15035	0.8
127.03887	1.9
135.04436	1.8
137.05949	1.5
137.20210	1.0
160.04277	1.8
163.03900	9.7
165.07777	3.0
172.04276	1.2
178.08687	1.1
237.02902	1.4
244.98524	0.7
257.29434	0.8
281.10660	61.3
344.66275	0.9
353.75171	0.8
443.15982	83.4
444.16293	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	443.0214
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	12.9
68.37259	5.4
70.34134	4.7
71.50637	4.8
71.51041	6.3
85.02930	5.3
97.02930	6.7
98.97591	28.8
116.82151	4.7
116.98634	29.9
119.01942	31.1
121.01656	8.6
134.99678	28.6
137.02983	12.5
143.16896	5.0
149.48822	5.1
153.00929	4.8
156.96295	5.1
160.04781	5.6
177.00911	34.3
179.00630	6.2
217.04214	6.1
219.01952	36.7
220.02206	11.1
221.01898	9.2
235.00031	9.1
237.00020	6.7
249.06261	5.8
256.96759	7.4
258.99988	47.4
260.00134	50.4
260.99869	31.9
261.03104	100.0
262.03171	26.6
263.02856	19.6
266.49164	5.9
276.98148	10.1
277.00977	50.6
278.01178	71.7
279.00937	41.7
283.00009	30.1
284.00229	11.5
284.04764	5.3
284.99875	12.2
299.09781	27.1
300.10022	6.2
301.00989	60.6
301.09756	25.8
302.01151	17.3
303.00934	21.4
314.95657	6.3
315.95740	9.5
316.95523	8.5
318.98575	14.9
324.55734	6.6
339.95947	6.8
356.96878	17.9
357.92731	4.4
357.96841	98.9
358.96576	50.3
366.41617	5.6
372.68143	5.7
386.92902	6.0
395.91467	10.8
397.94742	7.6
413.92450	8.3
414.95813	6.8
418.91818	9.9
419.91443	46.0
419.97433	11.5
420.91171	28.2
425.01126	7.0
437.92853	28.5
438.91833	22.4
439.98132	6.4
440.93991	25.2
440.99869	6.3
441.43768	19.4
443.02975	31.0
444.02252	6.9
446.88629	6.3
447.90714	10.7
449.92349	12.3
452.44434	6.3
460.99576	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	442.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.7
55.01865	2.1
55.05506	3.4
57.03436	6.8
61.02932	9.2
67.05491	1.3
69.03429	16.8
69.07044	0.9
70.06590	2.1
71.04977	4.2
71.49769	1.5
72.08162	1.2
73.02927	3.6
79.05477	1.6
80.04964	0.6
80.86884	0.7
81.03419	6.2
83.01364	1.0
83.04971	1.2
83.08607	4.1
84.04514	1.0
84.08118	2.2
85.02905	100.0
86.03229	1.1
86.09713	1.4
87.04456	3.2
91.03957	4.8
91.05492	1.2
93.07052	1.8
95.04984	1.4
95.06105	0.9
95.08600	1.2
97.02892	24.8
98.30028	0.7
99.04468	4.7
99.08105	0.8
101.09665	0.9
103.03941	1.0
103.05498	1.1
106.06551	0.9
107.04984	1.6
107.08648	1.3
109.02884	8.6
111.04450	1.0
111.08104	2.0
112.05098	1.9
113.09627	1.0
115.03950	2.8
121.07616	2.1
123.08057	1.0
127.03917	24.9
129.09164	1.0
131.04985	1.1
137.06018	1.0
139.07567	2.8
141.09100	2.1
145.04961	49.1
151.03990	0.8
151.07491	1.3
153.05504	0.8
162.38959	0.7
163.06023	19.1
163.07422	1.3
167.10693	0.8
178.08652	0.9
180.14992	1.8
187.07497	0.8
209.11729	1.4
217.15480	0.9
227.12816	2.2
228.13380	0.9
245.13972	2.2
263.14856	1.6
264.12534	0.9
295.48627	0.9
318.65750	0.9
325.11264	0.9
340.10352	1.1
340.99536	0.9
442.15341	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	441.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.8
65.03924	1.3
69.03419	1.5
79.05489	1.9
81.07048	0.8
85.02895	1.3
91.05476	4.9
93.07031	1.2
94.04172	2.5
95.04993	2.0
98.21545	1.4
103.05468	3.9
105.07010	1.4
107.04963	2.2
107.65244	0.8
108.05662	1.3
109.06520	1.0
109.24617	0.8
111.04393	1.0
115.05460	2.7
116.10985	0.7
117.07008	3.0
119.04925	2.9
121.06489	2.6
122.03680	6.9
123.08031	2.2
125.35231	0.9
128.06212	2.9
129.07007	4.1
131.04938	7.2
131.08524	1.5
133.06471	2.8
135.04396	0.9
135.08031	2.2
136.05177	0.9
137.05980	100.0
138.06332	1.8
139.05446	1.2
141.06966	2.2
143.04930	2.4
143.08504	1.1
144.05672	1.9
145.06474	2.9
145.87918	0.7
146.03578	1.0
146.07274	1.0
147.04414	2.2
147.08014	0.9
149.05968	3.0
149.09576	0.7
151.03873	2.7
151.07547	26.8
153.05482	1.6
153.06914	1.6
155.04887	0.9
155.08479	1.1
157.06502	4.9
159.04419	0.9
159.08014	3.5
160.05185	3.3
161.05991	8.7
161.09593	2.3
163.07559	10.1
165.05453	3.3
165.06837	1.1
165.09119	4.2
167.07022	1.8
169.06461	1.9
170.07172	0.8
171.08072	2.8
173.05882	1.1
174.06776	4.9
175.07547	26.1
177.05511	4.5
177.09084	6.9
179.07050	5.8
181.06494	2.8
183.08047	2.0
185.05972	1.2
185.09579	1.5
187.07533	6.7
188.08304	2.7
189.05507	1.6
189.09103	12.2
191.07042	7.0
191.10664	2.3
193.06981	0.9
193.08614	4.5
195.08275	1.9
195.10158	10.5
198.06804	1.8
199.07602	5.6
200.08293	1.2
201.09039	7.4
202.07854	1.4
203.07033	4.0
203.10574	1.1
205.08612	2.2
207.08107	1.7
207.10057	1.6
209.06093	0.9
209.08073	2.7
211.07625	1.7
213.09142	4.4
215.07021	3.6
215.10692	2.8
217.08566	8.0
218.07043	1.1
219.08144	1.8
219.10115	8.4
221.08000	2.3
225.09079	2.0
226.06111	1.1
227.07042	1.8
227.10643	1.6
229.08557	2.9
231.08099	1.2
231.10193	4.5
233.08029	1.4
233.09938	1.2
233.11725	26.5
235.07564	1.1
235.09657	1.4
236.08054	1.1
237.09023	0.9
239.10672	1.4
241.08525	7.5
243.08043	1.0
243.10165	1.4
245.11745	1.3
247.07399	1.0
247.09633	1.2
248.08273	1.2
249.08963	1.7
249.11165	2.4
251.12885	1.4
255.10234	1.0
256.08698	0.9
257.11945	1.3
259.07297	1.1
259.09702	4.4
260.08429	1.4
261.08939	1.9
261.11307	6.1
263.07077	1.2
263.12863	1.2
265.08542	1.4
267.10101	1.1
271.07468	1.2
271.11145	1.5
273.09018	2.4
274.10040	1.5
275.10480	1.6
276.07779	1.6
277.08621	4.2
278.09308	1.3
279.09985	1.5
285.09015	1.4
286.09903	1.4
287.10315	1.9
287.13065	1.3
288.07745	1.5
288.11191	1.2
289.08548	1.6
290.09326	2.6
291.10083	2.9
293.08188	1.7
293.11649	2.2
297.11368	1.7
299.12759	2.9
301.08606	1.3
301.11868	0.9
302.09363	1.9
303.10043	4.7
303.13333	1.4
304.10870	1.6
305.08426	1.7
305.11417	6.0
306.08829	2.2
307.09552	3.1
307.12927	1.3
308.10562	1.7
309.11191	2.4
311.12912	4.7
311.15750	1.0
313.11926	1.1
314.09467	1.0
315.09836	1.5
316.10782	1.8
317.08246	1.1
317.11713	3.4
319.09521	2.4
319.13135	1.8
320.10303	2.4
321.11072	5.2
322.11804	2.2
323.12762	3.3
325.14371	2.2
328.12921	0.9
329.11609	1.6
330.12308	1.3
331.09726	1.7
331.12943	4.3
333.11099	2.9
334.11859	1.2
335.12784	6.1
337.14304	4.2
341.14142	1.2
342.14444	1.8
343.15320	2.2
345.11328	1.1
345.15143	1.3
347.12805	2.5
348.13535	1.5
349.14447	3.9
351.12204	1.0
351.16077	1.1
353.13773	2.3
355.15668	3.9
359.12970	1.3
361.14240	1.6
363.15936	4.9
365.13889	6.6
367.15417	6.9
373.14169	1.9
376.12918	1.0
377.13495	1.6
379.15378	5.0
381.16980	5.4
383.14679	2.6
391.15115	2.6
395.18369	3.7
397.16388	2.8
399.17731	1.1
405.16928	8.8
423.18076	18.8
424.18634	1.1
441.19235	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63040	0.9
55.05496	2.4
57.07072	28.3
61.71769	0.9
62.48664	0.9
67.05502	1.5
69.07068	1.8
71.08247	1.6
71.08624	29.4
71.51193	1.2
73.06549	6.2
79.19147	0.8
81.07034	1.5
83.08610	2.9
85.09663	1.3
85.10175	25.3
87.04443	1.8
88.34148	1.2
89.06023	100.0
91.70834	0.9
97.10154	1.1
99.11700	3.0
107.07036	2.6
107.83887	1.0
109.10005	0.9
117.09126	2.1
130.08640	2.9
133.08598	45.5
135.10129	1.2
141.16356	3.9
177.11221	16.7
185.19055	4.7
187.60533	1.1
195.12317	2.0
206.20419	1.0
221.13927	2.2
226.21690	1.1
229.21579	9.6
239.14841	2.7
273.24136	2.9
283.17529	12.2
379.30115	1.3
423.33063	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	441.0922
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36362	0.9
55.16821	1.0
56.96561	15.3
57.03437	1.3
69.03429	2.6
69.43681	5.2
69.44097	3.3
70.06590	1.0
72.18945	1.0
74.97629	0.9
82.99841	1.1
84.96045	9.4
85.02915	5.3
89.03920	5.1
97.02868	2.6
98.97585	86.1
101.00877	2.3
106.75280	1.1
107.04942	1.7
110.07133	1.0
110.97570	25.3
112.99039	1.1
116.98624	46.9
117.03393	3.2
119.01915	4.2
124.99106	1.2
127.00688	1.7
127.03911	1.7
128.97707	2.1
128.98610	31.1
129.98987	1.0
131.00145	2.7
131.01923	1.8
134.53268	1.0
134.99675	11.8
135.03226	3.6
135.04405	10.8
140.00220	2.9
140.98611	7.8
143.00162	14.1
143.01918	2.7
145.01828	1.3
145.02823	3.7
145.04703	1.0
146.99672	16.1
149.01234	1.2
152.00117	1.1
152.98596	3.8
153.00706	1.6
155.01869	2.4
157.01689	1.2
158.99655	38.2
161.01230	16.1
161.02922	3.2
162.02968	1.1
163.03903	52.0
164.04268	2.6
165.00676	2.0
167.02037	1.3
167.52530	1.0
169.03485	4.7
170.99666	25.9
171.05032	1.6
173.01250	1.6
173.02914	2.7
175.04498	1.7
176.69289	1.2
177.00725	39.0
177.04221	1.5
179.02144	2.6
182.99669	17.6
185.03000	3.3
187.02991	1.0
187.04536	4.5
189.00716	34.3
189.02405	2.2
189.04358	1.1
189.06094	0.9
191.02242	1.3
195.01831	4.1
197.02983	2.0
200.02361	1.8
201.00714	58.4
202.01028	1.3
203.04056	2.5
203.05850	1.2
205.05606	3.7
207.01718	7.1
212.02422	2.0
213.00754	4.0
215.04153	2.6
217.05566	4.2
219.01782	56.2
224.02455	1.4
231.01782	7.3
233.03349	1.3
237.02814	24.8
241.05629	1.9
242.03383	2.0
243.01765	18.5
245.05093	10.4
249.02887	1.4
250.31361	1.0
255.04042	2.0
261.02832	100.0
262.03302	2.1
273.02850	8.4
275.06097	14.5
276.06403	1.5
279.03888	67.3
284.04578	1.3
287.06024	1.8
291.03860	20.2
293.07181	1.4
297.04950	2.9
297.08621	4.9
302.05496	5.4
305.07349	2.1
307.08698	12.7
309.04950	2.5
314.05463	1.4
321.04941	43.5
333.04913	3.6
351.05951	6.8
351.10696	1.1
365.09485	1.3
381.07037	3.4
399.08102	3.3
441.09039	17.7
441.14355	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35069	0.4
57.03441	0.3
69.03416	0.4
69.20014	4.2
70.19855	0.3
70.73914	0.3
73.02914	0.3
79.05490	0.9
81.03414	0.6
85.02895	1.5
91.05481	0.5
93.03423	0.7
93.07072	0.4
95.01095	1.5
96.01851	0.8
97.02856	0.7
99.04467	0.4
102.26039	0.4
107.04942	1.3
109.02889	0.8
111.04427	0.4
113.02128	1.9
119.04929	0.4
119.76727	0.4
121.02866	0.8
123.04436	0.7
127.03913	0.4
135.04407	1.1
137.05936	0.4
138.05455	0.4
146.11757	0.6
147.04414	0.8
149.02448	0.5
151.03947	0.6
157.04710	0.6
159.04349	1.0
161.05949	0.9
173.05873	0.4
177.05446	0.4
185.04234	2.7
187.03915	0.5
187.38507	0.4
188.28685	0.3
189.01862	1.4
189.05354	0.7
191.03450	0.7
195.02831	0.5
201.03671	1.2
201.05420	0.5
203.03423	0.7
204.07584	2.8
207.02943	1.3
215.03479	0.5
219.02881	0.6
223.02411	0.5
225.03949	0.4
229.04935	1.6
231.02924	1.0
243.08484	0.4
249.03979	0.7
257.04419	0.9
259.07846	0.8
261.03995	1.6
273.04022	1.7
277.78690	0.4
279.12201	1.2
285.03961	3.1
291.05066	1.0
303.05048	1.5
321.06030	1.5
345.05795	0.5
363.07080	2.8
393.09134	1.0
423.09033	0.6
433.55759	0.4
441.17303	100.0
442.17618	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	440.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.7
55.01865	3.1
55.05515	12.0
56.05037	2.9
57.03428	1.5
57.07070	0.9
61.76686	0.8
62.86122	0.8
65.66014	0.8
67.05504	14.8
68.05846	1.6
69.03419	1.3
69.07063	4.2
72.75582	0.9
78.48530	0.9
79.05486	9.5
81.03410	3.8
81.07061	13.0
83.04967	2.0
83.08610	8.5
84.04504	100.0
85.02893	3.4
85.04832	1.4
89.16171	0.9
91.05478	11.0
93.07036	8.4
95.04963	17.6
95.08612	10.3
95.15101	1.0
97.06541	4.7
97.10155	2.3
101.06033	1.2
102.05538	31.9
105.07021	9.0
107.04961	3.6
107.08591	8.0
109.06510	2.8
109.10145	6.3
111.08068	2.8
117.07027	3.3
119.08569	8.3
121.06488	2.3
121.10151	5.3
125.09643	3.1
129.07030	2.0
130.04999	53.7
131.05168	1.0
131.08536	5.4
133.10143	6.2
135.11685	3.1
137.09581	1.8
145.10133	6.0
147.08067	1.1
147.11699	3.7
148.06046	80.3
149.02397	1.5
149.09624	9.5
157.10133	1.3
159.11623	4.4
163.11171	10.8
165.12671	1.5
169.10129	1.9
171.11638	1.2
173.13242	1.8
183.11749	1.9
194.05359	1.1
205.12260	2.1
223.13293	15.4
229.19463	1.4
229.23543	1.0
230.23755	1.2
239.08110	1.5
239.17955	1.7
247.20636	1.2
257.19019	3.6
272.82864	0.9
275.20074	18.3
276.20386	1.7
293.21078	11.7
350.10782	0.9
440.27039	5.9
440.34961	1.1
456.13766	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.2
55.01868	9.5
55.05502	10.2
57.03441	19.6
57.07066	3.7
61.02930	15.8
67.05505	6.7
69.03434	35.5
69.07071	54.1
70.06586	2.5
71.01334	4.8
71.08618	4.6
71.51547	4.2
73.02918	79.1
81.03401	9.3
81.07032	4.3
85.02908	100.0
86.09717	2.5
87.04475	4.8
91.05468	4.3
93.07021	4.3
95.04977	2.2
95.08596	3.1
97.02891	70.1
97.06542	7.1
99.04478	2.6
99.08121	4.3
103.03944	5.4
105.07043	4.6
109.02890	9.7
111.11726	24.3
115.03938	28.2
116.82240	2.0
120.08115	2.4
121.10191	2.7
127.03918	36.3
133.04956	34.7
135.11656	2.7
137.05978	5.8
138.05508	48.0
145.04961	44.3
150.07610	5.2
163.03981	2.8
163.06032	23.9
184.07381	3.1
185.22336	2.2
199.06042	3.0
215.06987	3.7
217.08823	2.5
223.06010	8.4
241.07011	12.3
259.07968	11.5
295.10153	2.6
440.23361	5.9
441.24707	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	439.1424
Annotation	Shogasulfonic acid A
Peak:m/z	Relative Intensity
50.87906	0.3
57.03432	0.3
58.78599	0.4
60.74220	0.4
70.00038	0.9
70.00423	0.9
71.04080	0.3
82.43833	0.4
96.92220	3.8
103.02441	1.6
115.02455	0.5
119.01913	1.0
121.03498	0.4
126.91176	0.4
131.01927	0.6
133.03456	10.1
133.04422	0.7
143.01930	1.3
145.03432	0.8
151.04509	4.4
155.01920	1.5
159.05031	0.9
161.02959	1.5
166.03311	0.4
169.03543	0.9
171.05075	0.5
173.02988	1.4
174.94154	0.7
175.04514	5.1
175.91740	0.4
180.97511	1.4
181.03481	0.5
185.04303	0.5
187.04529	3.7
189.06041	1.5
190.02417	0.4
192.97459	0.8
199.04520	1.4
201.06056	4.0
211.04527	3.4
216.95154	0.8
217.05548	3.5
229.05420	0.5
247.91296	0.7
248.89563	0.5
258.88705	0.3
276.97272	0.7
277.08987	33.1
278.09305	0.5
295.05789	0.7
295.08774	8.7
318.10248	0.8
347.09415	0.8
365.10641	2.1
381.08047	0.8
421.99173	0.5
439.14224	100.0
440.14673	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3568
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62322	2.3
55.05510	10.8
57.07074	11.6
64.89804	2.4
67.05504	25.4
69.07060	15.7
69.82945	7.7
69.83352	5.0
71.08624	4.0
79.05472	6.0
81.07053	74.1
83.08610	10.1
86.36539	2.4
91.05462	3.8
91.31033	2.6
91.42730	2.2
92.34021	2.4
93.07056	11.8
95.08605	100.0
97.10156	3.7
98.20851	3.2
105.07037	11.0
107.08584	13.1
109.09459	4.6
109.10153	38.5
111.11697	2.3
119.08543	11.8
121.10169	11.4
123.11703	34.0
131.08566	7.9
133.10110	11.2
133.10991	2.3
135.11703	6.1
137.12202	3.6
137.13249	60.3
143.08582	4.8
144.44719	2.9
145.10126	11.6
147.11652	4.7
149.13237	5.0
151.14801	3.4
157.10115	6.7
159.11671	8.9
161.13289	5.4
163.14789	2.8
163.77649	2.2
171.11699	8.2
173.13272	6.0
175.14775	4.8
179.17943	7.8
179.99838	2.3
183.11568	3.7
185.13263	4.2
187.14807	8.1
191.17885	2.4
199.14861	9.3
201.16357	5.4
203.17932	2.8
205.19565	3.3
213.16402	10.7
215.17879	7.4
215.19775	2.6
218.65720	2.3
227.17996	2.9
241.19511	7.7
243.21169	5.3
255.21136	4.4
259.16953	7.2
261.18564	2.8
269.22635	6.5
287.20135	3.1
301.21613	3.2
332.18579	2.4
393.35141	21.5
439.35797	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	438.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.6
55.05494	2.6
56.05025	2.2
59.91258	1.4
60.04507	6.7
62.06089	87.1
67.05494	8.3
69.03420	3.5
69.07071	9.4
69.69703	8.6
70.06589	9.0
71.04984	8.6
72.08167	2.2
79.05494	7.0
81.03406	3.1
81.07054	11.7
82.02934	2.3
83.08607	3.0
84.04503	23.9
84.08126	4.8
85.02882	5.4
85.06547	2.9
86.09691	3.9
91.05460	6.7
93.07022	5.5
95.01315	1.6
95.04967	6.4
95.08604	11.8
96.04488	3.4
97.02872	2.9
97.06535	10.3
98.06084	1.8
98.20859	2.9
99.04442	11.8
101.07143	1.6
102.05500	2.2
105.07018	4.2
107.04933	3.1
107.08591	2.6
109.10160	2.8
118.06589	2.0
119.08573	4.2
120.08102	4.2
121.10147	2.8
122.09672	2.3
123.08023	2.6
125.09631	2.9
126.05492	1.6
127.03899	1.3
130.04982	9.0
130.08624	3.6
133.10097	2.5
135.11652	2.6
136.06139	8.1
137.05946	2.4
137.09676	1.7
137.13321	1.5
140.10681	6.1
146.05988	9.3
147.04402	3.5
149.02362	2.1
149.06032	2.0
151.03912	3.3
156.76129	1.3
159.04385	1.6
161.13264	4.3
164.07062	3.5
176.12703	2.0
177.05348	1.8
178.08650	16.6
179.07010	1.5
179.14302	2.1
181.05008	1.6
194.08125	1.7
195.13905	1.9
196.09700	37.0
197.10103	1.6
207.06497	3.3
211.13036	1.6
236.09143	7.0
240.19594	30.5
241.14301	3.7
241.17831	1.9
258.20660	100.0
259.20941	3.6
276.21713	15.7
303.17157	1.6
310.16599	1.7
315.96417	1.6
321.18073	30.4
367.18457	1.9
384.24161	1.4
402.24725	4.8
420.26083	7.1
421.19699	2.1
438.22357	83.2
439.22876	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	438.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07201	0.9
51.84716	1.2
53.77345	1.1
55.01862	2.3
55.05508	6.3
57.07068	6.0
58.06586	1.6
63.43308	1.0
65.03936	2.7
67.05499	22.2
68.05830	4.9
69.03433	1.8
69.07043	2.6
69.23808	7.2
69.24221	3.7
70.06587	17.3
71.04996	1.5
71.08638	2.4
73.89490	1.0
79.05506	3.3
80.05835	1.2
81.03430	2.6
81.07057	6.6
83.04980	2.0
83.08642	3.8
85.02921	1.9
85.06552	1.4
86.09708	4.2
88.07625	23.5
91.05499	4.6
92.05821	1.7
93.07059	4.8
95.04976	3.6
95.08627	4.5
96.08932	1.2
97.06535	4.3
99.77509	1.1
102.09171	15.5
104.81610	1.0
105.06991	2.3
107.04969	2.0
107.08616	2.6
109.10159	13.1
110.10461	5.4
111.08074	1.1
119.08598	5.6
120.09022	1.4
121.10146	1.2
125.00040	1.9
131.08623	1.7
135.11716	2.1
135.74937	1.1
138.09935	1.1
139.03860	1.2
139.65768	1.0
145.10144	2.2
145.26971	1.1
146.10527	1.5
149.02336	55.8
149.03362	3.6
150.02708	1.7
163.11206	2.1
164.11563	2.4
173.11772	4.4
174.12059	1.5
184.07301	9.5
193.04942	59.7
193.12346	2.4
210.12263	1.2
211.13388	1.8
212.15321	1.1
222.62825	1.1
228.23221	58.2
229.23544	1.4
237.07547	67.6
238.08054	1.5
272.25928	1.4
404.53870	1.1
420.11414	1.5
438.28677	100.0
439.28781	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	437.2661
Annotation	1-Oleoyl Lysophosphatidic Acid
Peak:m/z	Relative Intensity
52.18135	5.5
55.05494	21.9
57.07067	12.8
58.18159	5.3
59.28602	5.7
67.05506	53.0
69.07070	33.8
71.08647	7.0
71.51131	6.8
77.82421	6.1
79.05486	13.6
81.03394	5.9
81.07061	31.6
83.08611	30.2
91.05492	5.9
93.07032	23.6
95.08584	33.1
97.10162	18.1
98.98465	61.3
107.08580	11.3
109.10154	40.8
121.10139	14.7
124.69514	7.0
134.83385	6.0
135.11722	6.4
140.06737	5.1
155.01033	21.1
155.47144	6.4
173.02083	8.0
173.11737	16.4
202.46371	7.4
247.24162	6.8
253.31607	6.7
265.25226	16.8
276.53668	6.1
339.28958	100.0
378.06146	6.1
437.14706	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	437.3415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	2.0
55.05270	1.8
55.05512	13.2
55.81575	1.2
57.07076	3.5
58.97412	1.2
65.03923	1.4
67.05179	2.2
67.05507	25.8
69.07066	21.8
70.48592	4.9
72.05026	1.1
74.22104	1.5
77.65836	1.2
79.05494	14.4
81.03408	2.6
81.06596	2.6
81.07058	45.4
83.04942	1.5
83.08609	8.1
91.05475	12.8
93.07043	29.0
94.07367	1.9
95.05009	2.4
95.08605	58.5
97.10145	3.7
100.08272	1.2
103.76775	1.3
105.07034	28.4
107.04980	1.5
107.07887	2.4
107.08596	46.0
109.06538	2.3
109.10159	42.4
110.10492	1.4
111.08113	2.7
111.11700	1.9
117.07011	4.8
117.70241	1.2
119.08581	43.1
121.10143	30.9
123.11699	15.7
129.06995	3.1
131.08569	17.0
132.19989	1.3
133.10133	28.7
135.11691	22.5
137.13234	3.4
142.70096	1.2
143.08562	10.6
145.10126	25.1
147.11682	24.1
149.06070	1.5
149.09579	1.3
149.12216	1.9
149.13278	20.7
151.07581	1.6
155.08568	4.8
157.10120	11.7
158.10909	1.7
159.11688	22.7
161.13251	13.2
163.14807	7.2
165.09138	1.6
165.16406	1.5
167.80325	1.5
169.10129	4.7
171.11703	9.5
173.11861	1.5
173.13263	19.1
175.14787	19.1
177.16371	14.9
183.11676	9.5
184.85023	1.5
185.13216	7.5
187.14799	11.4
189.16374	25.1
191.18001	6.3
195.11697	2.4
197.13297	4.8
199.14891	6.5
201.16385	21.3
203.10478	1.3
203.17950	17.5
209.13329	3.2
211.14861	4.0
213.16322	9.3
215.17952	23.9
217.19553	5.6
219.17384	1.5
222.50583	1.2
225.16367	8.3
227.17984	7.1
229.19443	6.8
233.15457	1.5
235.17049	2.9
237.16382	3.1
239.17943	7.6
241.19550	5.7
243.21094	4.1
247.17029	2.9
249.18544	1.5
253.19524	4.5
255.21152	3.7
259.16986	2.4
261.18463	6.9
265.19501	2.2
267.21133	5.8
269.22662	5.0
271.17032	1.6
273.18530	5.0
275.20059	3.7
279.21078	3.7
281.22687	3.9
283.24188	2.8
285.18411	7.4
287.20139	3.2
289.79526	1.5
295.24222	10.4
299.20020	4.7
301.21588	2.6
309.25839	1.6
313.21664	4.3
315.22919	2.0
321.25702	4.0
322.73505	1.5
325.21619	3.3
327.23035	2.9
335.27634	2.5
344.75302	1.5
355.26401	1.7
367.26086	2.0
381.27917	3.2
391.33578	44.9
395.63837	1.4
409.34595	3.2
419.33130	2.9
437.34180	100.0
438.34451	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	437.232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	8.9
55.01867	8.2
55.05513	32.8
56.26939	3.1
65.03941	5.5
67.05503	78.5
69.03417	5.2
69.07066	24.6
69.37961	6.6
69.38351	26.6
71.04980	4.9
73.06454	2.9
79.05069	5.0
79.05492	53.6
80.06267	4.0
81.03410	9.4
81.07055	64.0
83.04971	10.1
83.08598	12.5
85.06562	6.1
91.05479	100.0
92.06245	3.8
93.07039	47.1
95.04964	10.9
95.08597	36.4
97.06528	10.9
97.10180	3.6
102.74377	3.1
103.05440	5.1
105.03432	2.8
105.07034	96.9
106.07839	4.0
107.04954	9.0
107.08602	26.6
109.06503	9.1
109.10155	30.3
110.62975	3.2
111.04446	3.2
111.08048	3.3
115.05443	8.2
116.06268	3.7
117.07032	41.5
118.07793	3.2
119.08582	74.1
120.09322	4.2
121.06508	5.8
121.10129	19.1
123.08044	7.4
123.11694	4.7
129.06999	13.3
131.08568	46.2
133.02827	10.9
133.10110	51.3
134.10913	7.1
135.08032	4.9
135.11710	10.0
137.09590	5.4
141.06996	9.2
143.08568	10.7
145.06496	6.2
145.10115	41.5
147.04384	11.0
147.08047	6.7
147.11700	28.7
149.09624	9.0
149.13248	5.0
153.06892	3.8
154.83282	3.3
155.08527	5.7
157.06511	4.0
157.10103	9.9
159.04376	15.3
159.11684	22.6
160.12370	3.6
161.02328	11.1
161.13242	13.0
163.03911	39.9
163.11177	11.3
165.05560	3.6
165.06923	8.1
169.06500	5.6
169.10023	6.6
171.11667	6.2
173.02339	23.5
173.06021	6.6
173.09460	4.5
173.11845	4.7
173.13287	7.7
175.03979	3.7
175.11102	4.0
178.07774	3.8
181.06505	4.6
182.07251	2.9
183.08194	3.9
183.11693	6.7
184.07358	4.5
185.05957	5.9
187.03929	7.7
189.05429	4.9
189.12703	9.3
190.13538	14.7
195.08055	6.5
197.05957	4.7
197.13217	5.4
199.03857	30.2
199.07558	3.6
201.05411	3.7
209.11777	3.6
210.18515	3.9
211.07565	7.2
213.05469	9.6
223.07610	4.6
225.05490	26.7
225.09120	3.6
227.07060	5.9
227.12794	7.0
229.19560	8.4
233.09628	3.7
237.05383	4.4
239.07076	17.4
239.10666	4.3
239.17921	5.7
240.07571	3.2
249.09215	5.0
251.07098	8.5
253.08519	10.7
257.19025	27.1
258.19714	5.4
265.08630	9.5
267.10022	9.4
267.13702	5.1
275.10855	3.4
275.20050	55.0
276.20715	11.2
277.12207	4.2
277.21698	4.1
279.10110	12.8
281.11700	12.8
293.11691	6.2
295.13199	4.6
307.13232	9.9
351.16077	4.6
355.15469	4.7
375.23148	3.2
391.22763	7.8
401.21017	8.1
419.22162	86.6
420.22623	8.4
421.08075	6.2
437.11185	18.3
437.23270	71.9
449.31308	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.1
55.01850	2.7
55.05508	11.0
57.03423	1.4
57.07043	1.2
58.50584	0.9
65.03926	1.6
67.05503	21.0
69.03398	2.0
69.07064	4.9
70.83468	2.6
71.04972	1.4
73.37463	1.0
73.68029	0.8
79.05082	1.0
79.05484	14.4
81.03389	2.6
81.07054	15.0
83.04945	2.0
83.08614	5.8
91.05484	22.1
93.07042	12.9
95.04978	4.6
95.08593	9.1
97.06495	2.8
97.10126	2.1
103.05481	1.0
105.07036	20.1
107.04902	3.7
107.08585	6.2
109.06480	2.1
109.10156	11.1
111.08051	2.0
115.05399	2.8
115.51028	0.9
117.07013	9.0
119.07813	1.2
119.08573	15.3
120.09328	1.2
121.06492	2.1
121.10101	4.7
123.08004	1.5
123.11666	1.4
128.06189	1.9
129.06960	3.6
129.09039	1.3
131.04855	1.3
131.08565	7.3
133.02815	1.4
133.06371	1.0
133.10118	12.6
135.08012	1.5
135.11638	3.7
141.06929	1.5
143.04916	1.5
143.08521	2.3
145.06442	2.0
145.10112	8.4
146.03506	1.0
146.68982	1.0
147.04282	2.1
147.07994	1.7
147.11681	7.9
148.12434	1.6
149.05894	1.5
149.09560	2.9
149.13235	1.2
153.06956	1.0
155.08453	2.2
157.06450	1.4
157.10118	2.8
159.04344	3.1
159.11702	4.9
161.02304	1.6
161.09532	1.5
161.13162	3.1
161.35449	0.9
163.03922	6.7
163.11119	3.9
165.05518	1.7
165.06883	1.3
171.07858	1.0
171.11737	1.2
173.02330	6.1
173.05949	2.3
173.11772	1.9
173.13196	3.3
175.03868	1.9
175.11168	1.1
175.14697	1.5
181.06482	1.3
183.04230	1.1
184.07188	0.9
185.05927	1.1
185.13229	1.3
187.03877	1.7
189.05363	1.1
197.05917	2.0
199.03856	7.2
199.07547	1.1
211.07402	1.6
213.05347	2.2
215.17883	1.1
219.07957	1.7
223.07416	1.2
225.05367	4.1
227.06882	2.3
227.12807	1.2
237.05486	1.7
239.07002	1.9
239.10565	1.3
239.17789	1.1
247.07457	1.1
251.06830	1.8
253.08534	1.3
257.18887	4.6
259.20483	1.4
267.10040	0.9
267.13617	2.9
275.20026	14.8
276.20767	1.8
279.10049	2.1
281.11835	2.0
293.11536	1.1
295.13162	1.6
383.21115	1.1
391.22705	1.3
401.20828	2.7
419.17093	1.3
419.22134	22.6
420.22433	1.2
437.19016	100.0
437.23239	7.9
438.19800	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	437.1078
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	1.3
55.01872	3.1
57.03447	1.8
61.02934	1.7
67.05494	1.2
68.30985	1.4
69.03424	7.3
70.06582	2.0
71.50874	2.1
73.02911	2.9
79.05497	2.9
81.03417	4.8
83.01315	1.4
84.08163	1.2
85.02895	5.6
91.05486	11.2
92.05764	1.4
94.82810	1.2
95.01335	17.0
95.04975	1.9
97.02896	2.8
101.79798	1.5
103.05445	3.5
105.07021	3.0
107.04962	3.6
109.02872	2.2
113.02336	2.8
115.05452	8.5
117.07025	20.7
124.03962	1.5
126.38960	1.2
127.05432	2.5
128.06238	10.2
129.01936	1.7
129.07016	22.5
131.04932	8.2
131.08571	4.3
133.06485	4.6
135.04420	5.2
139.03882	3.5
141.01794	4.6
141.07005	6.6
143.05013	2.6
143.08562	2.9
144.05708	2.0
145.02890	4.2
145.06490	20.6
147.04417	4.7
147.08047	5.1
151.03920	7.9
153.06981	4.0
153.26430	1.3
155.04890	19.1
155.06033	2.6
155.08539	2.9
156.05630	2.0
157.06496	17.0
159.04416	5.3
159.08096	2.3
161.05988	4.5
163.03947	1.9
165.05528	1.5
165.06952	3.0
167.04887	1.6
167.07115	2.8
167.08612	4.5
169.06512	5.6
171.04445	5.3
171.08034	2.9
172.05173	1.7
173.05988	27.1
175.03908	4.9
175.07726	2.7
177.03987	1.8
177.05461	3.1
177.06891	1.4
181.04980	1.8
181.06482	3.6
183.04402	18.3
183.07964	1.6
184.05107	2.4
185.02274	1.4
185.05994	14.3
187.07587	3.9
189.05499	8.5
189.09033	1.4
191.03326	1.9
191.07060	2.0
195.04478	2.8
195.08061	4.4
197.05977	5.9
199.03804	3.4
199.07579	3.3
200.04604	2.0
201.05457	24.0
202.02583	2.7
202.06166	3.0
203.03435	2.6
203.07025	5.0
205.06470	1.9
209.06027	3.6
211.04056	7.0
211.07576	3.3
213.05455	11.1
213.09145	1.6
215.03435	4.3
215.07014	15.1
216.07750	3.4
217.04962	5.5
217.08604	3.2
219.06546	3.1
223.04027	2.0
223.07582	3.7
225.05519	4.4
227.07013	4.4
229.04948	26.7
229.08485	1.9
231.02826	2.0
231.06519	3.5
233.08054	3.8
239.07010	3.3
241.05005	5.4
243.06522	55.4
245.04405	19.1
245.08174	1.9
246.05219	4.4
247.06058	8.1
249.05461	2.0
251.07031	5.0
253.04977	2.5
255.06487	4.3
257.04474	2.2
257.08069	2.4
259.06143	3.3
261.07587	100.0
262.08023	1.7
267.06482	2.1
269.04303	2.0
269.08017	3.3
271.06113	2.7
273.07587	3.1
275.05606	1.4
275.09146	2.2
279.06409	2.0
285.07593	1.3
287.05453	4.3
289.07156	6.2
291.08621	2.4
295.06009	1.9
297.07617	1.9
299.05615	1.8
301.07153	1.5
305.06638	2.0
306.58685	1.3
313.07010	1.7
315.08679	2.5
325.07214	2.7
331.08182	3.8
341.06586	3.3
343.08234	2.7
349.09225	3.8
357.09726	3.8
359.07532	11.6
361.09216	1.7
375.10886	7.1
377.08783	7.4
387.07159	5.2
391.10242	8.7
405.08148	17.5
409.11221	4.3
419.09644	4.9
423.09225	25.2
437.10764	51.2
437.16391	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	436.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.5
55.01867	4.0
55.05509	26.4
56.05832	3.3
65.03947	4.0
67.05503	7.8
69.03429	4.8
69.07082	5.0
70.06580	2.8
70.82975	5.6
71.04995	12.1
71.54198	1.5
73.06555	3.8
74.44383	1.9
79.05492	7.6
81.03420	4.7
81.07051	22.1
82.06573	6.9
83.04976	5.9
83.08625	12.7
84.08130	5.0
84.08945	2.3
85.02896	9.8
85.92640	1.8
88.11993	2.2
91.05476	6.4
93.03362	2.9
93.07043	16.9
95.04958	6.7
95.08606	5.4
97.02864	2.5
97.06535	5.4
98.09730	2.0
100.07617	8.9
100.11254	45.6
101.11568	8.8
103.05447	2.2
105.01861	3.4
105.04474	1.7
105.07044	3.7
106.04139	4.7
107.04968	7.7
107.08600	11.6
109.02897	5.5
109.06528	2.6
109.10145	5.0
109.44212	1.7
110.06074	1.9
111.04443	14.5
112.04835	2.1
115.05490	2.2
117.07047	1.9
119.08655	1.6
121.06531	4.5
122.06908	2.0
123.04439	2.3
124.76971	1.6
125.06016	2.7
126.09232	1.9
126.72301	1.7
127.03892	5.3
128.07074	7.9
131.04997	1.8
131.08549	2.1
135.04395	1.8
135.11707	18.1
137.05983	4.9
137.09615	5.5
138.05479	1.9
139.07584	1.9
140.07014	3.7
141.11465	3.7
141.61763	2.0
145.06477	2.5
145.10144	2.0
149.05948	5.0
150.06378	2.6
153.12740	100.0
154.73766	1.7
155.07062	5.4
155.11237	2.9
161.06033	3.4
163.07625	1.9
165.09120	5.9
167.07011	14.1
168.07416	7.6
177.05515	4.2
178.05843	2.1
181.04951	23.8
181.08553	3.3
182.05283	11.5
182.15401	32.8
183.15736	8.6
187.07623	2.4
199.18094	3.8
203.17931	1.9
209.08072	6.0
209.16530	6.2
210.08479	5.9
210.14914	31.3
210.16750	3.8
211.07846	2.1
211.09688	3.6
211.15247	15.1
219.16405	2.9
225.15753	1.9
229.16243	2.4
233.08112	5.7
234.06288	2.0
234.08401	10.5
241.17587	2.6
245.18692	3.2
268.21423	2.3
268.71707	6.1
272.06439	2.9
274.06754	2.0
282.69519	3.3
309.13211	1.9
326.28012	4.2
332.24750	10.0
337.21097	3.7
338.21780	2.9
340.75513	2.6
341.25162	2.9
354.26141	6.1
354.76111	2.9
388.14627	2.4
395.77994	1.9
417.79462	4.5
418.15939	10.5
426.79819	7.9
435.33456	2.5
436.33160	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12840	3.1
55.01850	3.4
57.03428	5.9
63.83782	3.3
66.95257	3.3
71.21471	5.7
79.05470	3.8
81.03402	6.0
85.02927	6.6
105.07050	28.1
122.03616	3.9
133.06485	60.3
137.05978	100.0
141.14723	3.6
147.08003	4.7
163.07495	6.4
165.09123	45.3
169.68051	4.1
175.07623	5.7
183.10150	34.3
195.92191	4.0
220.09676	3.7
221.11670	4.6
223.78677	3.3
238.10666	8.7
239.12889	4.4
254.10342	4.0
256.11841	31.0
257.13870	58.5
274.13013	4.2
418.16254	6.3
436.17905	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	436.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	2.1
56.74158	1.4
57.03430	5.5
62.54058	1.1
69.03423	2.8
69.60331	2.8
69.60738	5.9
72.57388	1.1
73.02908	1.3
75.04460	2.4
75.18859	1.2
75.57593	1.0
79.05486	3.5
79.90260	1.2
81.07043	1.9
85.02897	8.2
85.80267	1.2
88.05189	1.5
95.05003	1.4
96.78976	1.3
97.02879	3.8
103.05460	1.9
105.07037	26.2
107.04927	2.9
109.06529	1.4
118.81338	1.1
121.06520	1.2
122.03597	1.8
123.04425	1.4
124.05286	1.5
133.06490	58.7
134.06868	1.8
135.04431	1.5
137.05977	100.0
163.07559	3.2
165.09120	32.6
167.07097	1.8
175.07541	2.4
180.07684	1.3
181.04953	1.9
181.08636	2.1
183.10196	21.0
192.63078	1.3
194.08083	1.8
196.79065	1.5
221.11694	3.6
238.10602	2.3
239.12836	3.2
256.11853	8.0
257.13843	41.8
337.41800	1.5
436.17957	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	13.4
55.01857	6.1
57.03426	5.0
58.06589	17.7
59.58298	4.2
60.04515	12.8
61.02916	8.5
62.06101	4.5
66.03241	4.5
67.05482	11.5
68.05013	8.0
69.03133	4.5
69.03432	41.9
69.07069	4.9
70.06590	8.1
71.04996	4.2
73.02933	4.6
73.11259	3.5
74.06030	4.7
79.05487	25.9
81.03407	20.4
81.07043	13.9
82.06579	9.3
83.04984	13.2
84.04497	17.5
85.02905	48.5
86.06058	22.3
87.04441	7.4
88.07623	15.5
91.05482	17.9
93.07033	18.7
94.06559	25.7
95.04955	28.5
95.08589	5.2
96.08145	8.7
97.02882	33.4
97.06524	17.5
101.90347	5.0
103.05453	9.6
105.07023	19.1
107.04963	25.5
108.08114	7.0
109.02864	14.9
109.06528	28.2
111.04440	5.2
111.42643	3.9
112.07590	6.1
114.09164	5.6
117.07013	4.8
118.06510	4.8
118.97474	4.1
119.08564	6.3
120.08101	7.5
121.06529	21.8
122.09647	4.6
123.04431	12.4
123.08054	9.1
124.07587	14.0
124.20972	4.5
125.02357	8.0
125.05981	21.6
127.03916	58.5
129.06891	4.1
130.04984	7.0
131.04900	6.4
132.08104	6.0
133.06502	12.2
135.04424	4.2
135.08023	5.1
137.05943	7.5
139.03903	7.3
139.07567	6.4
145.04916	4.9
146.09618	5.5
147.04405	6.9
147.08017	5.3
148.07576	10.2
148.11267	5.3
149.05956	22.3
150.09158	44.1
151.03885	10.3
151.07500	17.4
159.04358	4.2
161.05971	4.5
165.05492	10.7
166.08646	6.6
166.12370	5.6
167.03415	9.6
167.07050	16.6
168.10164	6.9
174.09166	4.3
175.07532	6.1
176.07008	5.9
176.10760	4.5
177.05455	13.9
177.09094	12.0
177.61919	4.5
178.05841	4.5
179.06949	5.6
180.07858	4.1
181.04959	6.3
189.14310	4.1
190.01366	4.2
192.06502	4.8
192.10242	6.1
193.08553	10.4
194.08141	11.1
194.11787	21.4
195.06548	33.5
197.08162	7.2
201.05144	3.8
210.11075	4.2
211.09688	6.9
212.09160	8.7
212.12840	21.8
213.07555	19.1
220.09663	13.7
221.08052	8.6
231.02771	5.0
234.08388	9.8
238.10718	62.6
239.09146	5.5
243.06476	7.1
245.04436	35.0
256.11816	100.0
261.07483	5.0
274.12833	38.1
302.23288	5.2
336.42853	5.3
418.16785	8.1
436.17941	27.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	10.8
55.01859	9.4
55.05512	36.4
55.45061	2.4
57.03436	23.0
65.03940	5.7
66.77979	2.3
67.05508	100.0
68.05807	3.2
69.03397	2.7
69.07071	36.3
70.72550	5.0
71.01334	5.9
71.04980	6.6
76.36768	2.2
79.05496	91.3
81.03417	12.7
81.07055	67.4
83.04974	19.7
83.08611	14.4
85.06540	6.1
89.06023	2.4
89.07887	2.6
91.03951	2.5
91.05485	61.5
93.07047	98.5
95.04969	20.9
95.08612	30.4
97.06538	25.4
97.10178	12.8
99.08097	5.0
103.05400	2.8
105.04500	4.0
105.07034	35.2
107.04939	12.2
107.08601	56.0
109.06523	12.0
109.10152	21.3
110.82659	2.5
111.08069	4.3
115.05475	6.9
117.03371	2.8
117.07021	27.8
119.04956	4.2
119.08577	21.5
121.06496	6.5
121.10123	25.4
123.08056	4.9
125.09618	7.0
126.53555	2.2
128.06230	4.8
129.06992	13.2
130.07863	3.2
131.04916	5.8
131.08575	21.6
133.02902	4.5
133.06454	5.0
133.10153	18.0
135.08037	9.3
135.11690	63.6
137.09641	4.1
139.11171	3.0
141.06943	5.4
143.08557	9.3
145.06516	4.7
145.10146	25.6
146.10680	2.5
147.04398	9.4
147.08080	5.6
147.11676	9.2
149.09636	5.9
149.13234	9.5
151.11140	4.7
153.06989	3.3
155.08537	4.3
157.06503	5.7
157.10158	4.9
159.04460	7.9
159.08116	3.5
159.11711	12.5
161.02350	4.2
161.05980	4.0
161.09613	3.4
161.13297	4.2
163.03873	9.5
163.11179	14.7
165.06999	2.6
169.06615	2.4
169.10065	3.1
171.07921	2.6
171.11674	11.0
173.02364	22.1
173.05983	5.4
173.09567	3.3
173.11766	4.9
173.13246	6.2
175.03922	29.5
177.12750	5.2
181.06517	3.6
181.10190	3.1
181.12247	11.2
183.07944	3.6
185.05986	6.4
185.13203	2.7
189.12698	2.8
195.08011	4.1
197.05977	6.0
197.13078	2.7
199.03911	18.6
199.13315	2.9
201.05562	3.7
203.07021	44.9
207.13844	2.3
211.07613	4.9
213.05565	5.6
215.07204	4.1
215.14415	2.9
223.07596	3.1
225.05388	3.4
227.07069	3.3
233.09685	3.3
237.05475	9.3
238.06122	3.6
239.06996	4.3
241.08563	16.0
247.11107	2.3
249.05519	5.2
251.06967	7.6
251.10808	2.7
255.17531	2.7
263.06989	4.7
272.06326	3.0
273.06589	6.2
273.18549	12.2
274.19131	3.0
277.08694	7.0
279.10175	6.6
283.71744	2.5
291.10239	3.2
321.14859	3.6
339.16095	3.0
343.22650	3.6
365.13751	2.6
368.15717	2.4
389.20847	5.0
391.22928	2.6
399.19550	4.9
417.20581	17.8
435.21603	39.3
435.27423	51.9
436.22198	4.3
436.27725	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	435.2162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.4
54.64274	1.7
55.01871	12.3
55.05506	23.8
57.03418	3.3
57.07044	1.8
65.03925	3.6
66.51271	1.7
67.05500	41.6
69.03423	3.7
69.06728	2.6
69.07064	25.1
69.85486	6.8
69.85896	3.3
71.04983	3.9
77.03925	2.3
79.05487	51.1
81.03407	6.6
81.07047	36.7
83.04971	4.6
83.08608	7.2
85.06516	3.0
89.03912	2.0
91.05473	61.8
92.05796	1.8
93.07039	43.1
95.04957	17.1
95.08595	26.0
97.06551	8.0
97.10144	2.8
100.79047	1.5
103.05435	7.9
104.06252	1.7
105.03381	2.0
105.07024	49.9
107.04958	18.4
107.08576	22.8
109.05881	1.6
109.06507	9.5
109.10159	9.8
111.08045	2.6
115.05475	8.9
116.06229	3.2
117.07009	38.9
118.07809	2.7
119.04955	4.6
119.08582	27.8
120.09443	2.0
121.06483	15.0
121.10132	11.5
123.04414	3.6
123.08062	7.1
125.09605	2.4
128.06221	9.7
129.06995	27.8
130.07744	5.7
131.04918	7.1
131.08554	49.0
132.09253	1.3
133.02863	4.9
133.06476	13.7
133.10115	27.6
135.04391	2.5
135.08058	16.2
135.11665	10.6
137.06021	1.6
141.06981	9.3
142.07767	4.3
143.04837	3.0
143.08551	23.3
144.09351	2.6
145.02803	1.9
145.06477	8.5
145.10107	35.4
146.10901	9.9
147.04391	7.5
147.08018	17.5
147.11693	8.7
149.05977	6.8
149.09579	14.5
149.13208	2.6
151.07530	2.1
153.06950	4.0
154.07791	2.7
155.08553	5.5
157.06441	8.6
157.10141	15.0
159.04379	8.3
159.08047	7.3
159.11647	17.8
161.02361	7.1
161.05962	2.5
161.09587	21.2
161.13197	3.5
162.03107	2.0
163.03885	42.2
163.07515	1.6
163.11159	8.7
164.11967	1.8
165.05478	3.5
165.06967	5.5
167.08589	2.1
169.06494	3.1
169.10173	4.1
171.04395	2.0
171.08086	4.7
171.11659	10.1
173.02321	35.2
173.05978	11.2
173.09583	4.1
173.13261	3.7
175.03932	4.9
175.07524	5.1
175.11145	9.3
177.12723	8.0
181.06467	4.4
181.10156	3.7
183.04424	4.4
183.08003	2.8
183.11728	2.7
184.07436	1.9
184.08868	1.6
185.05956	4.7
185.09569	3.6
185.13283	6.0
187.03905	6.4
187.07629	2.8
187.11266	2.9
189.05489	3.3
189.09196	2.5
189.12753	7.0
193.10150	2.4
195.08052	5.6
195.11725	2.3
197.05972	7.1
199.03891	27.0
199.07545	2.6
199.11099	3.6
199.14813	4.9
201.05472	3.6
201.12691	2.4
203.07030	8.4
203.14308	2.1
209.05936	3.1
211.07529	4.9
213.05473	6.8
213.09015	1.9
213.12743	3.5
215.06975	3.3
217.10201	1.9
219.08018	2.3
222.06561	1.7
223.07542	4.9
225.05453	5.1
225.09076	2.5
227.07010	4.4
227.17957	5.6
231.08063	2.1
232.08855	1.7
235.07539	3.0
237.05461	10.6
237.09116	2.4
237.16385	3.8
238.06250	2.1
239.06999	3.0
241.08578	32.0
245.15326	1.9
245.19009	12.0
246.19658	2.3
247.07539	2.3
249.05435	5.8
249.09171	2.5
250.06238	4.0
251.07047	7.8
251.10522	2.7
255.17422	14.3
256.18069	1.8
257.19116	2.0
261.08798	2.0
263.07013	6.2
263.10641	3.7
265.08557	3.7
265.12457	2.0
267.10208	3.3
273.09207	2.0
273.18481	43.0
274.19232	15.8
275.10620	3.8
275.20132	5.4
277.08597	6.8
277.12027	2.8
279.10129	6.6
281.11960	3.5
287.10602	2.6
291.10168	5.6
292.10623	2.5
293.11749	5.3
293.15182	2.5
297.11374	2.4
305.11719	5.4
307.13364	1.7
311.12781	2.6
319.13422	3.2
321.14658	3.6
337.14063	2.0
339.15811	4.5
349.14401	4.8
349.21558	1.7
367.15268	8.3
389.21063	8.1
391.18539	3.7
391.23016	4.0
393.16891	2.4
399.19440	7.5
407.22211	8.2
417.14993	2.9
417.20587	49.7
418.21088	4.4
435.21640	100.0
436.21835	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	435.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.9
55.01862	12.6
55.05510	23.3
57.03446	3.4
65.03944	6.2
67.05505	55.2
69.03431	2.6
69.07067	35.3
71.10343	3.8
73.95813	2.3
79.05492	52.5
81.03420	7.2
81.07056	55.0
83.04977	7.8
83.08608	8.9
85.06556	2.4
86.09694	5.0
89.03918	2.8
91.05480	61.4
93.06490	3.4
93.07042	42.4
95.04971	17.8
95.08611	27.6
97.06525	7.2
97.10188	4.6
99.08147	2.3
103.05460	8.4
105.03383	3.1
105.07027	48.9
107.04932	8.6
107.08584	22.2
108.85596	2.1
109.06513	14.0
109.10155	23.0
111.08141	2.3
115.05455	12.0
115.21671	2.3
116.01844	2.2
116.06255	2.9
117.07010	34.9
119.04948	6.9
119.08579	27.4
121.06524	10.5
121.10148	14.7
123.04449	4.2
123.08075	5.5
123.11732	3.5
128.06226	8.5
129.07034	20.3
130.07793	3.3
131.04909	7.0
131.08569	31.6
132.09415	2.6
133.02852	6.9
133.06491	10.2
133.10130	20.4
135.08063	12.7
135.11665	5.9
137.09631	4.9
141.07010	8.6
142.07770	4.2
143.04927	2.5
143.08563	13.0
145.06487	8.0
145.10115	25.9
146.10896	3.5
147.04404	16.7
147.08070	9.4
147.11685	9.0
149.06007	6.0
149.09601	6.9
149.13240	4.6
151.11217	2.9
152.06230	2.8
152.14946	2.1
153.07010	6.6
155.08522	6.8
157.06511	14.7
157.10104	8.4
159.04442	15.2
159.08023	4.6
159.11668	13.9
160.05214	2.7
161.02295	10.2
161.06020	3.5
161.09644	12.2
161.13380	3.4
162.18030	2.1
163.03920	21.8
163.11186	5.5
165.05585	2.7
165.07014	6.7
167.08589	4.8
169.06462	6.0
169.10170	5.1
170.07205	2.5
171.04401	5.4
171.08012	5.9
171.11661	11.1
173.02336	47.7
173.06010	8.7
173.09660	4.6
173.13208	4.3
175.03900	53.7
175.05309	3.8
175.07501	5.5
175.11185	5.5
177.12698	4.5
179.08548	3.6
181.06462	10.2
181.10146	3.1
183.04466	4.6
183.08054	4.3
184.05194	4.4
185.05989	12.2
185.09573	4.3
185.13245	7.0
187.03925	6.1
187.07553	5.7
187.11143	2.2
187.14767	3.0
189.05472	4.1
189.09146	2.2
189.12823	4.2
193.04945	3.7
193.10156	2.1
195.08022	7.6
195.11615	2.5
197.05948	8.1
197.13263	4.6
197.88313	2.1
199.03926	31.7
199.07570	4.7
199.11253	2.8
199.14871	3.2
200.04416	2.2
201.05469	5.2
203.07030	100.0
204.07321	2.8
205.06531	2.5
207.08104	2.5
209.05934	2.6
209.09651	2.6
211.07565	5.2
211.14977	2.5
213.05507	9.1
213.12814	3.6
215.07010	7.6
215.14398	2.7
219.08018	4.0
221.05934	2.5
221.09708	3.9
223.07562	7.2
225.05510	8.8
225.09090	5.7
227.07010	7.8
227.17909	3.6
233.09525	2.5
233.15431	9.3
234.03178	2.5
235.11307	2.6
237.05521	15.7
237.09148	4.2
237.16389	3.8
238.06297	2.5
239.07056	5.6
239.10684	3.4
241.08559	29.9
245.19066	4.3
249.05498	5.9
249.09227	3.3
250.06230	2.4
251.07066	8.0
251.10634	3.8
252.07739	2.4
253.08691	2.9
255.17487	8.8
256.18213	5.8
259.96878	2.1
261.09268	3.5
263.07080	7.6
263.10867	2.5
265.08676	6.0
267.10135	5.2
267.13797	4.9
271.17075	2.2
273.18460	30.6
274.09427	2.4
274.19284	8.3
275.07413	1.9
275.10651	3.1
277.08633	10.0
277.11948	2.6
279.10214	9.3
281.11832	2.9
289.08728	2.3
291.10306	3.3
293.11771	6.1
293.15359	6.7
295.13257	2.6
305.11740	4.7
307.13345	3.8
309.11157	2.2
321.14813	7.9
323.05624	2.7
323.12613	3.9
337.14429	4.3
339.15881	11.6
349.14328	2.8
367.15851	4.9
389.06656	3.3
389.21075	9.9
391.22824	5.6
393.80853	2.2
399.19629	6.8
407.22168	3.7
417.20663	36.2
418.20840	3.5
435.10770	7.2
435.21664	92.7
435.27313	8.4
436.21945	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	435.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.2
54.22581	1.4
54.91761	1.7
55.01849	2.1
57.03433	2.0
65.03942	9.1
67.05493	5.0
69.03416	3.0
70.21832	7.3
70.97469	1.7
79.05124	1.6
79.05492	15.1
81.03407	4.7
81.07060	3.8
82.04184	3.6
83.04975	2.2
83.62774	1.4
85.02893	5.0
86.09674	1.5
91.05479	18.9
93.03400	2.3
93.07033	7.0
95.04943	8.6
95.57940	1.4
97.06522	2.7
97.92825	1.4
101.15844	1.7
103.05466	7.6
105.03400	1.9
105.07042	8.0
106.04163	2.9
107.04955	33.1
108.02155	1.8
109.02880	1.6
109.06532	3.1
110.03664	3.9
111.04385	3.7
115.05446	7.2
117.07023	10.6
118.04155	2.2
119.04934	5.6
119.08571	3.0
121.02854	1.7
121.06499	16.1
122.03636	2.7
123.04411	9.6
123.08137	2.0
124.05173	3.5
124.56767	1.5
125.05975	6.2
127.03907	3.7
128.06203	6.9
129.06984	20.0
131.04936	8.1
131.08580	10.8
133.02853	2.6
133.06493	5.6
135.04353	1.7
135.08028	3.7
137.05980	18.0
138.03120	4.1
142.02652	3.3
144.05713	5.1
145.06485	13.3
146.03635	1.8
146.07243	1.7
146.37013	1.5
147.04398	4.5
147.08043	4.1
148.05133	2.0
149.05994	5.9
150.06815	2.0
151.03990	2.4
151.07529	12.7
152.04677	4.8
153.05460	15.4
153.06706	2.2
155.07089	2.1
156.05759	1.7
157.06465	19.1
159.04366	2.2
159.08002	5.9
161.05965	26.8
161.09613	5.7
162.06665	2.1
163.07515	10.6
165.05614	2.2
165.06981	7.2
165.09103	4.4
166.06264	7.0
167.07048	100.0
167.08464	5.5
168.07396	2.1
171.06541	5.8
171.08025	3.2
172.05229	9.4
173.06046	8.3
174.06860	8.8
175.07526	9.5
177.05472	3.5
177.09131	8.4
179.07004	5.2
179.08636	3.9
181.04961	98.2
181.08566	59.9
182.05322	4.1
182.07256	3.8
187.07614	8.4
189.05435	4.8
189.09093	55.0
190.06146	3.0
190.07747	2.4
190.09395	1.6
191.06998	2.4
191.08559	3.2
191.10571	4.3
193.06544	3.2
193.08531	2.5
194.07266	4.3
195.08119	9.3
195.09738	2.4
197.06047	3.5
197.09619	2.5
200.04698	2.0
201.05424	6.3
202.06064	2.2
205.06833	1.8
205.08609	4.9
206.05649	1.9
206.08177	2.0
207.08026	4.2
207.10156	13.9
208.08859	3.6
209.09641	1.8
210.06779	5.4
211.07579	4.1
211.11107	2.0
212.08362	2.6
213.09116	2.6
217.08577	2.6
218.05710	5.7
219.08076	6.8
219.10193	4.5
221.05984	3.8
221.08031	4.5
222.06749	2.9
222.10413	1.7
223.07530	8.7
223.11230	3.0
224.08292	2.1
225.05554	2.3
225.09184	9.0
226.06282	2.0
226.09695	2.3
227.06960	4.4
233.08054	52.6
235.07520	3.4
235.09741	3.8
236.08292	3.6
237.09273	2.4
239.07022	5.4
239.10826	2.5
240.07784	6.0
241.08597	7.6
242.09300	3.3
245.08179	4.4
247.07570	4.8
248.08250	2.4
251.06934	3.4
251.10689	5.1
253.08545	8.7
254.09236	2.3
255.06560	3.5
255.10094	5.9
257.08145	2.4
257.11612	8.3
263.09213	12.2
264.07642	2.7
265.08679	3.8
267.06580	1.9
267.10031	3.0
268.07544	3.9
269.08066	5.2
269.11905	1.7
270.05328	2.1
270.08771	5.6
271.06046	8.0
272.06345	5.8
273.06586	11.9
277.08664	2.0
279.10117	7.0
283.09686	11.6
283.13214	5.5
284.10510	2.2
285.07965	3.4
285.11282	19.6
293.08368	2.0
296.10413	2.1
297.11133	5.0
299.09537	1.8
299.12769	5.3
301.14194	2.5
302.11459	3.6
307.09549	1.8
311.12787	8.9
315.12305	12.5
316.12881	6.1
317.13763	18.2
321.11191	1.8
328.13040	1.8
329.13928	5.8
331.15314	3.0
339.12137	2.4
343.15268	11.9
346.14081	12.7
355.11658	3.8
359.14899	8.2
360.15668	45.1
361.16370	37.6
367.11752	3.5
371.14371	2.8
387.14523	8.5
399.14267	5.7
417.15439	33.5
435.17355	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	435.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.2
54.12758	1.4
55.01862	3.0
57.03426	3.2
61.28319	1.2
65.03940	5.2
65.04987	1.2
67.05493	3.4
69.03420	3.4
69.07045	2.5
69.94456	4.3
71.04961	2.9
78.04702	2.2
79.05495	15.6
81.03415	3.2
81.07047	3.0
83.04972	2.3
85.02910	2.4
91.05483	21.7
93.03401	3.4
93.07054	10.1
93.07536	2.1
95.04973	10.9
95.08569	2.0
97.02917	2.1
97.06528	3.0
103.05465	10.2
105.03428	2.2
105.07031	11.0
106.04185	4.5
107.04952	35.3
109.02851	2.0
109.06530	1.6
110.03645	4.7
110.87041	1.4
111.04430	2.3
115.05466	4.9
116.06277	1.8
116.19496	1.3
117.07030	5.1
119.04948	6.7
119.08591	2.8
120.05717	3.1
121.02802	1.6
121.06509	18.4
122.03624	1.9
123.04419	6.7
124.05227	7.6
125.05987	6.0
127.03910	3.1
128.06239	7.5
129.07002	20.4
130.04097	1.9
131.04900	7.7
131.08531	12.2
133.02852	2.2
133.06471	4.8
134.03606	1.7
135.04440	3.9
135.08044	5.1
135.11685	1.9
136.05196	1.7
137.05969	21.4
138.03137	2.5
139.07501	1.7
141.06967	2.7
142.02550	1.7
143.04836	2.1
144.05678	3.4
145.06483	10.4
146.07210	2.7
147.04373	4.2
147.08022	3.2
148.05147	3.1
149.05994	11.3
150.06752	1.9
151.03915	3.9
151.07556	17.6
152.04678	4.3
153.05458	17.1
153.09085	2.3
153.12737	9.8
155.06978	4.5
157.06514	17.9
158.07167	1.4
159.04387	1.5
159.08051	5.0
159.57730	1.4
161.05983	35.7
161.09615	8.9
162.06735	2.9
163.03943	1.8
163.07520	15.8
165.05492	4.1
165.06999	5.4
165.09106	7.4
166.06265	8.7
166.07672	2.8
167.07040	100.0
167.08411	3.8
168.07393	2.1
171.06555	3.4
171.07951	1.8
172.05122	3.2
173.05978	5.3
174.06764	12.3
175.07536	10.4
176.08307	1.6
177.05482	4.7
177.06917	1.9
177.09132	9.0
178.07718	3.3
179.07019	5.1
179.08568	4.3
180.07741	1.8
181.04984	55.8
181.06538	3.1
181.08588	79.6
182.05353	3.3
182.07260	5.2
182.08818	3.6
187.07510	5.8
189.09102	66.5
190.07744	1.7
190.09393	1.8
191.06979	4.0
191.08578	4.9
191.10646	3.9
193.06461	5.0
193.08530	3.4
194.07349	3.3
195.08055	10.7
195.09750	2.2
197.09644	6.4
199.07509	2.9
201.05394	2.2
205.06470	1.6
205.08510	3.4
205.10207	1.8
207.08076	4.5
207.10167	17.6
208.08914	3.2
209.05910	4.0
209.08054	8.5
209.09705	1.7
210.06712	4.4
211.07507	7.0
211.11362	1.6
212.08293	3.3
213.09125	2.6
218.05736	4.1
219.08211	7.1
219.10033	2.9
221.05989	3.9
221.08131	5.4
222.06657	3.0
223.07533	10.2
223.11140	3.5
224.08275	2.0
225.09157	12.8
226.06044	1.4
227.07068	8.4
229.12180	3.1
233.08047	26.6
233.10115	2.1
234.06725	1.7
235.07504	5.5
236.08318	3.8
237.09085	3.3
238.06337	2.9
239.06978	4.4
239.10678	3.8
240.07735	6.2
241.08549	9.5
242.09395	3.0
243.10132	1.6
247.07570	3.7
248.08241	1.5
249.09077	2.5
250.06335	2.2
251.07027	7.3
251.10696	6.1
252.07930	2.2
253.08620	14.0
254.09413	2.6
255.06552	4.6
255.10126	7.3
257.08319	1.6
257.11682	9.0
259.09732	1.9
263.09207	6.1
264.07703	2.1
265.08621	4.3
267.10181	5.4
268.07303	3.2
268.10904	2.2
269.08044	9.3
269.11456	2.1
270.08850	5.8
271.05981	4.8
272.06363	5.1
273.06631	6.3
279.10074	7.0
281.07986	2.9
282.08627	2.0
283.09641	15.2
283.13284	5.6
284.10336	3.5
285.07721	3.8
285.11169	29.0
286.12057	1.6
287.09232	1.7
288.05786	2.0
289.06143	2.7
295.09702	3.7
296.10300	3.6
297.11176	5.3
299.09100	4.5
299.12772	4.4
300.09717	2.5
302.11523	7.0
307.09671	1.6
311.09488	1.6
311.12653	7.0
314.11310	1.9
315.08826	2.4
315.12231	18.9
316.13110	5.1
317.13846	19.6
328.12952	2.6
329.13791	7.3
331.15384	3.6
343.15366	16.7
345.13400	1.8
346.14093	14.1
355.11502	1.8
358.14114	2.6
359.14923	9.3
360.15665	59.4
361.16422	52.7
362.16809	1.8
367.11697	2.1
373.13293	1.6
387.14490	4.4
399.14426	3.2
413.31378	1.4
417.15302	13.5
435.20016	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1651
Annotation	CHEBI:67628
Peak:m/z	Relative Intensity
50.18014	1.0
52.13689	1.0
53.03959	1.7
55.01868	2.2
55.05508	2.7
65.03932	8.7
67.05499	4.7
69.03430	3.3
69.07046	0.9
69.31602	9.2
79.05489	9.5
81.03411	5.2
81.07053	2.2
82.04198	3.7
83.08617	1.5
84.08144	1.0
85.02903	5.7
87.55338	0.9
91.05483	7.0
92.86431	1.0
93.03410	3.5
93.07035	2.3
95.01435	1.0
95.04960	5.0
97.06527	3.6
100.07580	1.2
100.11252	6.5
103.05464	2.6
105.07031	1.9
106.04191	5.0
107.04312	1.5
107.04957	19.3
107.08627	1.1
108.02078	1.2
109.06505	1.5
110.03664	4.3
111.04449	3.8
115.05456	4.0
117.07014	4.4
121.06521	5.8
123.04428	4.2
124.05210	3.7
125.05988	4.1
127.03931	4.2
128.06233	1.4
129.07040	1.9
131.04948	2.9
131.08556	2.6
133.02864	1.3
133.06497	4.3
137.05974	1.9
137.09557	1.1
138.03098	2.6
141.06996	1.6
142.02635	2.5
143.04941	1.4
144.05721	3.8
145.06494	10.1
147.04436	1.3
149.05977	8.1
151.03957	2.5
151.07491	0.9
152.04675	2.5
153.05467	3.2
153.09148	3.5
155.05962	2.0
156.05652	2.0
157.06514	3.4
159.08046	3.5
160.05177	1.3
161.05960	6.0
165.05400	1.8
165.09030	1.8
167.07039	53.4
168.07367	1.5
171.06615	4.9
172.05188	9.2
173.05978	6.7
175.07556	2.3
177.05515	5.6
177.06857	1.2
180.07596	1.0
181.04951	100.0
181.08528	4.3
182.05334	2.5
182.15416	2.2
183.06531	1.4
187.07538	7.2
189.05457	3.1
190.06238	1.3
191.07050	3.6
191.10699	2.5
193.08659	1.4
195.06517	3.2
200.04735	6.1
201.05377	7.3
203.06975	1.2
205.08643	4.8
206.05785	2.9
207.06442	1.8
209.08084	10.9
210.14914	4.7
213.05582	1.5
217.08580	2.6
218.05698	7.5
219.06453	2.6
219.10031	5.2
221.08047	6.2
225.05515	1.0
225.07622	1.7
233.08089	59.2
234.08582	1.9
235.09590	2.3
245.08083	2.5
247.07420	1.0
251.09184	2.6
263.06885	1.3
263.09177	11.0
265.08801	1.0
271.06064	2.2
272.06363	1.9
273.06628	2.8
277.08633	1.0
279.06696	1.1
280.07184	1.4
295.09695	1.1
307.09427	1.4
309.07474	1.1
323.09106	2.2
355.11700	3.3
367.11743	3.0
371.14749	1.3
372.11923	1.8
381.13556	2.1
387.14319	8.5
399.14468	6.0
405.15726	1.0
406.97968	0.9
417.15390	27.2
418.16080	1.9
432.63892	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.165
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45739	1.6
52.66937	1.6
53.03934	4.1
55.01855	3.0
65.03932	8.6
66.87655	1.7
67.05505	2.9
69.03420	5.3
79.05495	12.9
81.03409	5.4
82.04184	3.3
84.32446	1.8
85.02888	5.5
91.05490	11.8
93.07043	3.6
95.04945	6.4
98.21513	4.2
103.05451	5.1
105.07001	7.8
107.04953	30.6
110.03652	4.0
111.04445	2.2
115.05443	6.8
117.06999	6.9
119.04940	4.2
119.08584	1.9
121.06502	11.3
123.04408	5.3
124.05186	5.0
125.06011	3.9
127.03934	5.1
128.06248	3.2
129.07005	14.3
131.04926	6.1
131.08542	6.7
133.06477	3.1
135.04385	2.3
135.08058	1.9
137.05981	8.1
138.03098	3.9
141.06964	2.5
142.02576	2.2
143.04936	3.0
144.05722	4.5
145.06451	12.4
147.04420	3.4
149.05980	3.6
151.03952	2.6
151.07547	8.3
153.05461	9.0
155.06030	2.7
155.07111	2.3
156.05705	2.0
157.06470	9.9
159.08046	4.3
161.05946	18.4
163.03957	1.6
163.07495	7.1
165.06900	2.6
165.09135	2.0
166.06244	3.1
166.07639	1.8
167.07039	77.0
167.08421	2.8
171.06570	3.3
172.05197	9.7
173.05956	7.8
174.06784	4.6
175.07489	8.0
177.09081	4.0
179.07019	3.8
179.08434	2.5
181.04964	100.0
181.08565	34.0
182.05313	1.8
182.07249	1.9
185.05879	1.8
187.07552	9.0
189.05460	2.3
189.09120	27.1
190.06166	2.3
191.07034	3.0
191.08643	1.9
193.08546	2.9
194.44724	1.7
195.06474	2.1
195.08060	3.7
197.09660	2.1
200.04735	3.4
201.05409	7.7
201.09288	2.2
203.07010	2.1
205.08534	6.3
206.05698	5.3
206.07680	1.8
207.08186	2.1
207.10150	5.4
208.08934	2.2
209.06117	2.1
209.09605	2.7
211.07672	2.5
218.05736	7.0
219.10124	5.3
221.06071	3.2
221.08043	5.8
223.07384	4.1
224.08223	1.9
225.09123	4.9
227.06961	2.6
233.08072	54.9
233.10420	3.1
235.07426	4.0
237.09016	2.4
239.06992	3.9
240.07854	1.7
241.08566	3.9
247.07524	2.6
251.06981	4.3
253.08607	3.9
255.10060	2.4
257.11627	4.4
259.92056	1.8
263.06775	2.5
263.09183	10.2
269.08054	4.2
270.08591	2.1
271.05994	6.2
272.06302	4.9
273.06516	11.3
279.10208	3.7
283.09625	4.9
283.13098	3.0
285.08185	2.3
285.11105	10.3
291.06509	2.3
295.09531	2.0
297.07593	1.8
297.11032	3.9
299.12659	2.9
311.12772	5.1
315.12308	6.5
317.13849	6.7
329.13702	4.1
343.15390	6.1
346.14081	6.1
355.11688	2.4
359.14807	4.0
360.15640	21.6
361.16348	17.6
387.14374	10.3
399.14355	4.9
411.57471	1.8
417.15457	29.3
435.17465	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	435.1073
Annotation	Isoknipholone
Peak:m/z	Relative Intensity
50.25908	0.3
53.59453	0.3
55.05433	0.4
67.01806	0.3
67.05418	1.2
69.07008	0.5
70.24763	1.2
74.93136	0.3
77.73753	0.3
78.19333	0.3
79.05416	0.6
81.06958	0.9
83.04913	0.5
86.09593	0.3
91.05437	0.6
93.06941	0.8
95.04898	0.7
95.08549	0.4
98.21400	0.4
105.06985	0.7
107.04867	0.4
107.08486	0.7
109.06396	0.8
109.10083	0.7
119.08508	0.6
121.06451	0.4
131.08487	0.6
133.10056	0.4
135.04335	0.5
143.08467	0.4
145.10049	0.7
147.11552	0.4
153.01830	4.6
157.10014	0.3
171.02869	0.5
171.11559	0.3
173.02213	0.4
189.12691	0.4
197.13123	0.4
208.05217	0.4
213.05382	0.6
224.08252	0.4
226.06238	0.3
235.03789	0.4
237.05426	0.7
241.04921	2.8
242.05592	0.9
251.07076	0.5
253.04990	2.3
254.05705	4.1
255.06224	0.3
267.06470	1.1
268.07141	0.4
283.09338	0.5
286.04721	11.8
305.08081	0.9
328.87488	0.3
333.07489	0.7
333.21603	0.4
348.09180	0.3
348.35132	0.3
349.07120	0.5
360.06210	0.7
361.07159	1.0
362.08093	0.4
375.08722	0.4
376.05399	0.4
376.09445	1.2
377.06433	0.5
387.04861	1.2
394.06720	0.7
403.08102	16.9
404.08408	1.0
405.06046	2.6
417.20731	0.4
419.07599	52.1
420.08237	8.2
435.10754	100.0
436.11148	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	435.1648
Annotation	CHEBI:67628
Peak:m/z	Relative Intensity
52.50920	1.4
53.03940	2.6
55.01872	2.4
57.03433	16.8
58.03764	4.2
59.78274	1.9
61.02919	9.8
61.37244	1.6
65.03941	7.7
67.05494	2.6
69.03429	23.4
69.51188	9.1
69.51613	3.7
70.03757	5.6
71.01344	3.0
73.02915	29.4
74.03255	7.9
79.05490	8.8
81.03409	7.6
82.04208	3.9
85.02900	57.7
86.03230	15.1
87.04440	4.5
91.05489	4.5
93.03404	2.3
95.04970	4.6
97.02890	29.1
97.06530	2.6
98.03196	8.7
99.04449	2.0
105.07020	7.2
106.07376	2.7
107.04961	20.9
108.02060	1.8
109.02898	5.7
110.03682	4.6
115.03924	24.8
115.05435	5.1
115.13803	1.5
116.04234	8.3
117.07034	5.5
122.06729	1.6
123.04444	3.9
124.05219	4.4
125.05962	4.4
127.03924	17.8
128.04254	5.0
129.07027	3.1
131.04915	1.9
133.04942	11.5
133.06509	2.9
134.05322	3.1
137.02293	1.8
137.05980	2.8
142.02573	2.5
144.05685	4.6
145.04959	21.8
145.06424	7.8
146.05302	10.7
147.08023	2.3
150.07605	2.1
153.05522	2.2
157.06485	1.8
159.08072	3.7
161.06006	5.7
163.06021	11.7
164.06339	5.0
167.07031	50.4
171.06529	3.7
172.05257	9.2
173.06026	5.3
175.03857	1.7
175.07487	3.0
181.04950	100.0
187.07542	7.2
189.05486	3.0
191.06978	1.9
191.10712	2.2
200.04704	4.1
201.05484	5.2
201.09123	1.7
205.08656	5.5
207.10205	2.1
218.05760	5.3
219.10210	6.4
221.08012	8.1
233.08066	60.0
235.09718	2.4
245.08199	2.9
251.09145	2.9
259.08060	2.6
263.09125	11.1
285.13257	2.4
286.13742	2.0
295.09958	2.4
307.09671	1.7
323.09177	1.9
339.12366	2.3
355.11823	2.6
367.11450	4.2
371.14536	1.9
372.12134	2.0
381.13419	2.2
381.50797	1.9
387.14441	12.6
394.81992	1.7
396.76669	2.2
399.14319	4.4
417.15381	27.3
418.15802	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	434.275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31985	1.5
55.01861	1.7
55.05512	4.5
65.03931	5.7
67.05502	8.9
69.03420	5.0
69.07058	2.2
70.06593	2.4
70.46397	5.1
71.04975	5.7
78.04704	2.6
79.05484	9.4
80.09396	1.5
81.03401	5.9
81.07053	9.0
84.08152	1.7
85.02884	6.7
85.05277	1.7
91.05495	8.1
93.07055	7.5
95.04959	5.2
95.08595	5.7
97.06524	7.4
103.05463	3.4
105.07038	9.2
106.04163	3.0
107.04977	14.3
107.08584	6.7
109.02853	5.2
109.06491	3.1
109.10137	4.7
110.03639	2.2
111.04414	2.1
111.87630	1.6
115.05402	2.8
117.07013	4.6
119.04929	4.2
119.08585	4.4
121.02807	2.3
121.06508	2.1
121.10188	3.7
123.04414	4.5
123.11716	2.2
124.45615	1.5
125.06004	2.9
125.09595	2.8
127.03945	3.4
131.04996	3.8
131.08554	3.9
133.06456	4.6
133.10132	17.5
135.04509	2.2
137.05963	7.5
137.09549	2.9
142.02634	2.3
143.10658	9.8
144.05646	3.0
145.06465	6.2
145.10095	1.9
147.11670	3.0
149.05966	5.9
149.13235	5.2
151.03903	2.6
152.04768	1.7
153.01819	6.5
154.02240	2.1
157.06451	2.5
159.08006	2.9
161.05962	6.4
163.03893	3.9
165.05484	2.5
165.09067	2.2
167.07054	39.1
167.14323	14.6
171.06516	2.3
172.05209	3.8
173.05922	3.9
175.07570	1.9
177.05446	6.0
181.04956	62.4
181.08522	3.4
182.05302	2.3
187.07478	5.0
188.10670	2.1
189.05548	2.0
191.07022	7.6
191.10628	2.3
200.04721	1.9
201.05435	3.6
201.16364	3.0
202.12302	1.9
205.08594	3.0
209.08086	5.7
218.05505	2.0
219.10086	3.6
219.17467	13.5
221.08124	4.1
233.05862	3.0
233.08089	30.3
233.10388	2.2
237.18517	1.9
245.08191	2.2
259.09604	2.2
263.09122	5.9
271.06036	45.3
272.06369	100.0
273.06549	9.6
286.04691	1.8
287.05215	6.7
288.05731	6.5
301.07117	3.6
302.07474	9.9
355.11676	2.3
374.23126	2.2
387.14319	5.4
399.14374	3.9
417.15494	19.6
434.15637	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	4.3
56.05028	2.6
57.03418	4.0
58.06584	3.7
60.04519	5.1
61.02921	6.5
63.35439	2.8
67.05494	3.3
68.05022	4.4
69.03422	18.3
69.42769	17.6
69.43179	4.7
71.01342	4.4
73.02919	3.8
74.06072	8.0
79.05478	8.2
79.46822	2.5
81.03407	7.8
81.07043	8.7
82.06570	4.8
84.04508	14.2
85.02903	28.6
86.06063	4.6
87.04475	4.3
88.07629	4.4
91.05462	7.4
93.07048	7.6
94.06579	16.6
95.04959	8.2
97.02879	17.7
99.04503	2.6
103.05474	2.7
105.07006	3.1
107.04920	14.7
108.08061	2.4
109.02904	3.5
109.06530	5.4
110.06037	3.8
112.03954	5.0
112.07608	7.6
119.04993	3.9
120.08100	8.0
121.02869	3.6
121.06501	4.2
122.06015	6.9
123.04420	7.5
124.03957	5.2
124.07531	3.3
125.02339	23.8
127.03874	4.0
130.05009	5.9
133.06491	2.5
134.09650	3.4
135.04364	3.1
136.07574	2.6
137.05957	5.3
138.05476	3.5
139.03856	2.7
145.04950	4.3
146.06015	3.8
147.04433	6.0
148.07555	10.4
149.02353	7.7
149.05917	3.0
162.09169	7.4
163.07506	3.1
164.07039	4.1
164.10739	3.2
165.05449	5.9
166.05045	3.9
166.08679	5.3
174.09135	2.5
175.03923	6.0
176.07166	3.0
179.96835	2.6
181.04776	2.5
183.06573	3.0
188.07060	2.8
190.08589	2.4
191.06909	3.5
192.06583	9.8
192.10112	6.5
193.04892	5.8
208.09651	5.2
209.08170	3.2
210.07588	16.1
210.11185	20.1
211.06024	9.8
218.08244	3.7
226.10793	5.1
229.07204	3.2
236.09184	31.1
237.07150	3.3
254.10223	100.0
258.67764	3.2
272.11288	21.2
416.15594	17.3
422.21887	3.2
434.16589	23.3
441.51080	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	434.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.7
54.90037	1.0
55.01870	2.2
57.03436	33.7
58.06592	3.3
58.33081	1.0
61.02922	11.5
61.54000	1.1
63.35464	1.1
68.70333	1.0
69.03429	39.7
70.86056	2.1
70.86425	2.6
71.01345	3.9
71.04977	1.2
73.02916	54.5
78.82523	1.0
81.03403	7.1
82.93793	1.0
85.02902	100.0
87.04473	10.1
91.03924	5.2
91.05470	1.2
95.04944	1.4
97.02889	63.5
99.04437	5.1
101.02401	1.5
103.03925	2.4
103.05444	1.2
103.92316	1.1
105.07031	11.2
107.04935	4.2
109.02864	7.0
115.03926	54.3
117.06977	1.3
119.31628	1.0
127.03921	31.1
129.07010	1.4
129.49355	1.1
132.06555	1.5
133.04962	26.9
136.26401	1.1
137.34860	1.1
145.04955	53.4
146.16194	1.1
147.08037	3.2
150.07597	7.8
151.03862	1.4
154.25684	1.1
161.83427	1.1
163.06020	28.6
165.05467	3.3
167.06982	2.9
180.08630	1.7
181.04977	5.3
193.04961	1.4
201.09093	3.3
219.10242	2.7
222.11252	1.1
223.05975	4.2
227.09082	1.5
231.10097	1.8
233.07970	1.5
241.07037	6.8
249.11197	1.9
254.13777	2.0
259.08160	4.7
272.14734	2.3
285.13235	7.5
295.10168	4.2
302.16037	1.3
305.77386	1.2
434.19687	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	12.0
55.05516	58.0
59.05001	84.8
65.03922	7.8
67.05508	23.3
69.03432	8.1
69.07066	9.9
70.17825	4.3
71.05003	5.5
79.05490	35.2
81.07056	29.8
83.04977	6.0
83.08636	6.4
85.06543	98.7
87.07239	4.5
90.17062	4.4
91.05481	99.5
91.90067	4.5
93.07043	57.7
95.04967	13.6
95.08607	33.2
98.20790	9.8
103.05461	8.7
105.07037	58.1
107.04938	6.0
107.08595	39.9
109.06512	15.3
109.10152	22.2
111.08064	13.9
112.14943	4.6
115.05468	14.3
116.06242	5.8
117.07021	31.7
119.08581	100.0
121.06506	5.8
121.10128	28.8
122.07280	11.4
123.08089	15.7
125.09641	20.9
127.89046	4.4
128.06242	17.3
129.07030	20.5
130.07805	15.0
131.08583	35.8
132.12181	4.8
133.10168	32.5
135.08064	10.3
135.11708	9.6
137.09587	28.5
141.06996	10.3
142.07805	27.8
143.08549	37.2
144.09349	7.7
145.10123	40.8
147.08061	8.8
147.11703	8.5
149.09570	5.3
151.11168	25.2
153.07059	6.2
154.07759	6.8
155.08591	20.7
156.09367	15.4
157.10135	31.3
159.08115	6.5
159.11757	10.8
163.11174	10.3
165.07062	10.2
167.08563	8.1
168.09346	9.1
169.10155	17.1
170.10892	9.1
171.11710	17.8
175.11208	8.2
179.08527	14.4
180.09373	8.6
181.10182	9.2
182.10912	6.6
183.11697	19.4
185.13243	4.9
193.09998	9.1
194.11038	9.3
195.11670	15.2
197.13295	6.4
203.14378	5.9
206.10832	7.0
207.11691	8.0
209.13268	9.4
215.14369	6.9
216.65900	4.3
219.11845	5.4
220.12408	6.2
221.13185	6.0
223.14528	4.6
225.16089	4.9
231.11597	5.3
235.14673	4.8
271.06024	84.0
272.06247	7.2
399.78979	4.7
433.31082	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	433.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82378	3.0
55.05505	7.5
59.00755	3.5
67.05495	25.3
69.07057	5.1
70.49216	7.8
79.05482	11.0
81.07054	37.9
82.00697	3.3
83.02732	3.7
83.08605	6.7
91.05466	17.1
93.07049	9.9
95.08601	39.7
105.07038	6.1
107.08585	9.2
109.06522	3.7
109.10151	22.0
111.08157	4.3
119.04949	31.5
119.08585	6.9
121.10147	4.8
123.11704	11.5
133.10132	9.4
135.11679	5.3
137.09642	6.3
145.10106	4.3
147.04410	100.0
149.13249	4.2
151.11198	5.9
153.01848	4.8
165.05492	26.0
215.17900	12.9
233.18896	5.6
251.20073	17.7
265.16367	3.8
271.06009	95.4
271.08859	6.0
272.06305	8.9
314.93057	3.2
416.21201	3.4
433.26550	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	433.2583
Annotation	Triflorestevione
Peak:m/z	Relative Intensity
52.43493	2.2
55.05503	8.0
60.90099	2.1
65.03954	2.1
67.05502	43.0
68.05849	2.3
69.07063	8.5
71.43424	3.4
71.43764	2.0
75.00034	2.9
79.05480	17.4
79.76192	2.0
81.07053	48.0
82.73930	2.5
83.08641	2.5
91.05491	21.0
93.07041	16.1
95.04965	5.5
95.08604	48.1
97.06517	5.5
97.10132	2.8
98.98466	36.9
105.07030	7.4
107.08591	10.2
109.06516	2.4
109.10152	23.0
110.57945	2.2
111.08072	3.3
114.10818	2.2
116.99500	2.0
119.04938	25.4
119.08576	7.0
121.10135	9.7
123.08116	2.7
123.11677	11.2
131.08574	4.6
133.10086	14.3
135.11691	9.5
137.09602	4.8
137.13229	6.0
145.10083	4.3
147.04401	98.5
147.11644	4.9
149.13283	4.9
151.11165	6.6
153.01784	4.1
155.10674	2.3
159.11685	3.6
165.05472	17.8
170.02719	2.2
173.13213	2.3
184.07304	3.9
195.13776	3.5
210.95053	2.3
215.17938	15.3
233.19078	11.0
238.77455	2.2
245.47734	2.5
251.20033	24.4
271.06006	100.0
272.06308	9.9
275.23813	2.1
358.55771	2.4
433.26587	3.5
433.32864	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	433.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.8
53.03957	1.2
55.01865	4.3
55.05511	14.3
55.05756	1.2
55.79193	0.8
57.03443	4.6
61.96241	0.7
65.03945	1.6
67.05511	15.0
67.05841	1.1
68.66238	0.6
69.03446	2.4
69.07060	5.5
71.05004	1.4
71.51728	1.0
72.50941	0.7
74.86433	0.6
79.05493	19.0
81.03428	2.8
81.07056	14.0
83.05003	2.0
83.08611	6.7
86.09742	0.7
91.05481	17.2
91.06023	1.4
93.07037	14.8
95.04964	13.8
95.08595	8.2
97.06535	4.4
97.10158	7.7
103.05505	1.7
105.06335	0.9
105.07031	13.8
105.07690	1.0
107.04948	6.2
107.08592	9.3
109.06498	3.6
109.10159	3.9
111.08114	1.3
115.05473	1.7
117.07022	7.7
119.04945	3.9
119.08604	6.1
121.02842	0.9
121.06501	7.4
121.10141	5.8
122.03636	0.8
123.04463	1.0
123.08090	2.3
125.09631	7.1
128.06253	2.9
129.05530	1.2
129.07007	7.0
131.04926	5.7
131.08554	10.2
133.06506	2.7
133.10130	3.6
135.04398	0.8
135.07983	3.6
135.11775	0.9
137.05981	5.5
141.06927	3.6
142.07773	1.2
143.08560	6.1
145.06467	9.7
145.10133	5.7
147.04430	2.3
147.08028	4.1
147.11694	1.5
147.39131	0.7
149.06006	1.3
149.09627	8.5
153.01799	3.8
153.05569	0.8
153.07036	1.9
153.09122	1.1
154.07860	1.0
155.08545	4.2
157.06505	2.1
157.10175	2.8
159.08092	3.0
159.11739	2.8
161.06024	2.7
161.09622	2.6
161.13307	2.0
163.03903	2.1
163.11194	1.6
167.07161	1.4
167.08603	2.8
169.06514	1.1
169.10117	6.6
171.08044	2.3
171.11694	8.0
173.02341	0.9
173.09695	3.2
175.11234	1.8
177.12813	0.8
179.08565	1.2
181.04977	3.9
181.06383	1.0
181.10181	1.8
183.11749	2.4
185.09602	2.2
185.13316	1.8
187.11186	2.8
189.09145	2.2
189.11229	3.4
189.12782	4.9
193.10306	0.8
193.12209	1.4
195.11740	2.8
197.09637	2.7
197.13353	1.7
197.51553	0.9
199.11165	1.6
201.12779	1.0
205.12222	2.8
207.06447	1.0
209.13434	0.8
211.11252	2.5
213.12759	1.8
215.10669	1.5
215.14392	0.8
223.13255	2.4
225.12830	2.0
227.12715	1.9
229.04926	1.0
229.12285	1.8
234.06789	0.9
239.07054	1.1
239.14220	1.2
243.13940	1.5
257.15387	2.1
259.09680	2.2
262.06189	1.8
265.08801	0.9
267.15967	1.8
271.06006	100.0
272.06335	9.7
275.16504	0.8
277.08609	2.6
277.11795	0.8
278.09265	0.9
291.10049	1.3
295.20593	1.7
305.18951	1.1
307.09821	0.9
309.11224	1.2
313.21564	2.5
323.20053	11.4
331.22855	1.0
341.21106	39.3
342.21542	1.2
359.22363	3.6
379.22229	0.8
389.17877	0.8
401.13403	1.0
403.13989	0.7
405.20435	0.9
415.18924	3.6
415.24658	15.1
416.25040	0.8
433.15311	2.4
433.20050	5.1
433.25714	31.6
434.26102	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1127
Annotation	Pelargonidin 3-O-glucoside
Peak:m/z	Relative Intensity
63.50941	0.2
67.01862	0.5
68.99779	0.3
70.86968	0.4
77.31503	0.2
83.09383	0.2
90.94705	0.2
91.05487	0.3
93.27621	0.1
96.43378	0.1
119.04949	2.2
121.02840	0.8
145.02791	0.5
146.48798	0.1
148.66122	0.1
149.27792	0.2
153.01831	4.8
153.03026	0.3
163.03929	0.4
171.02888	0.6
223.67693	0.2
225.05371	0.3
229.04991	0.3
233.90678	0.2
243.06577	0.4
247.05945	0.2
271.06006	100.0
272.06290	2.0
332.62283	0.2
433.11127	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	6.5
55.18066	1.5
57.03434	3.9
57.07083	1.6
60.26563	1.6
67.05501	22.8
69.07061	6.1
71.33352	1.4
79.05487	20.4
81.07054	25.8
83.04967	1.8
83.08630	3.2
85.06518	1.9
86.70056	1.4
91.05486	11.5
93.07041	20.1
95.04956	2.8
95.08615	16.2
97.06528	4.9
98.98462	27.2
105.07036	8.2
107.04960	2.0
107.08583	12.2
109.10130	5.5
117.07007	4.4
119.04930	2.7
119.08569	7.2
121.10143	9.2
123.08147	1.9
123.11716	1.7
131.08597	7.6
133.10097	3.1
135.11699	6.1
137.13269	2.4
145.10123	5.9
147.11703	4.5
149.09601	1.6
149.13283	4.7
153.01811	4.5
159.11690	3.2
161.13248	4.2
163.03854	2.1
163.14810	6.2
171.11691	1.8
173.02185	4.3
173.13287	5.1
177.16284	1.7
187.14790	1.7
243.21089	9.2
261.22119	16.6
271.06012	100.0
272.06311	8.7
323.74188	1.6
335.25748	32.9
336.26044	2.5
341.20972	2.2
433.15179	2.5
433.25711	2.7
446.11902	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1128
Annotation	6-C-beta-D-Galactosylapigenin
Peak:m/z	Relative Intensity
52.78992	0.8
55.01877	1.2
57.03422	1.2
58.06604	5.2
59.06945	0.8
63.34605	0.8
65.03911	1.2
65.69706	0.7
66.31789	0.8
67.05474	1.0
69.03419	0.9
70.06558	1.1
70.97977	2.0
75.01817	0.8
79.01878	1.5
81.03391	1.8
81.07014	1.0
85.02885	3.4
86.09678	1.2
91.05443	1.6
93.07050	1.0
95.04947	0.9
95.08631	1.1
97.02891	1.6
103.47798	0.8
107.04940	2.3
109.02895	1.7
112.36035	0.8
119.04938	3.6
121.02866	16.7
137.05905	0.9
139.11157	0.8
141.01891	1.4
145.02843	2.4
149.05991	1.5
153.01767	1.3
157.06424	1.2
161.05933	1.3
163.03871	3.9
165.01859	6.1
165.05405	1.1
167.03398	2.4
167.07089	2.4
177.05318	1.9
181.04974	4.4
183.02875	3.0
189.05437	0.9
191.03352	1.0
195.02911	0.8
195.69246	0.8
196.42236	0.9
196.69725	0.9
205.04922	1.2
211.07495	1.1
213.05463	3.1
217.04955	2.0
217.08620	1.0
221.08038	1.7
228.07867	1.0
233.04431	0.8
234.06679	0.8
239.07005	1.3
239.11160	1.9
239.70177	0.8
243.03021	2.0
243.06221	1.1
249.07442	1.1
252.12375	1.1
253.08589	0.9
253.12625	2.4
255.06558	3.7
256.07260	6.6
259.05899	2.1
261.03864	2.2
267.06543	4.9
270.05231	1.7
270.13306	2.6
271.06055	9.5
271.13675	5.9
281.08008	3.2
283.05994	99.0
284.06787	31.6
285.07346	2.6
287.05612	1.8
295.06009	15.5
295.09225	1.6
297.07584	16.8
298.08304	1.0
298.93515	0.8
305.07990	1.5
307.06305	0.9
308.06702	2.3
309.04178	1.5
309.07538	12.1
311.05518	2.5
311.08972	0.8
313.07050	100.0
314.07327	2.9
321.07513	2.6
323.05652	1.5
323.09119	20.9
325.07080	3.5
327.08630	1.9
333.07721	2.3
337.07028	31.2
338.07236	1.2
343.08298	4.3
349.07068	6.4
351.08591	5.6
355.08170	2.6
361.07022	6.4
367.08112	24.7
368.08450	1.9
379.08096	16.9
397.03918	1.8
397.09189	34.4
398.09546	2.6
403.13498	1.8
415.10190	43.6
416.10654	1.6
433.11240	66.5
434.11658	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	433.1128
Annotation	Sophoricoside
Peak:m/z	Relative Intensity
51.50851	0.5
53.78936	0.5
69.72859	3.1
75.90453	0.5
85.02888	2.2
97.02890	0.6
98.20844	0.9
119.04927	2.4
121.02937	0.7
153.01802	4.1
171.02907	0.7
187.03920	0.6
192.27951	0.5
193.96927	0.5
195.08127	0.5
271.06003	100.0
272.06345	3.6
272.24936	0.6
286.00256	0.7
417.80585	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75003	4.3
53.03935	6.4
55.05508	8.3
56.05829	4.6
58.06596	29.4
61.02912	8.7
65.49606	3.8
67.05502	9.5
68.04990	5.4
69.03413	26.2
70.06573	12.6
71.04986	9.7
71.49799	7.1
72.08167	11.4
73.02901	9.0
74.73875	4.2
78.93729	4.5
79.05479	6.0
81.03402	14.6
81.07063	12.7
83.04965	5.6
84.04482	6.8
85.02899	32.2
86.09695	10.6
89.95987	4.4
91.05479	29.6
93.07031	18.2
95.04954	13.2
95.08588	7.4
96.04478	10.2
96.08134	6.1
97.02897	28.7
98.06024	6.0
105.07017	15.1
107.04929	10.5
109.02853	11.7
109.06506	43.9
111.04433	6.4
113.82236	4.2
119.04904	9.1
119.08664	5.0
121.06523	22.2
122.05994	6.9
122.09696	7.1
123.08058	10.9
124.07545	7.4
125.02335	6.1
127.03892	6.9
128.07086	10.3
129.07019	7.0
131.04930	8.5
133.06468	16.1
135.07970	6.0
137.05949	19.2
138.05484	8.1
138.09174	4.7
139.03868	11.8
146.09639	9.2
147.04399	23.6
147.07971	6.9
149.05997	29.3
150.09126	8.6
151.07501	13.1
157.06474	5.6
161.05939	8.2
164.10663	11.1
167.07071	6.3
175.07550	5.9
177.05412	24.7
178.08635	6.3
179.07027	97.9
186.07634	6.5
189.09090	8.9
191.07054	6.4
192.10208	12.0
193.08653	5.8
196.09698	9.1
202.08557	11.5
203.07053	6.1
204.08670	22.2
208.09654	5.6
209.08073	16.8
209.15337	5.7
210.11263	6.8
211.09587	4.9
217.08591	11.3
220.09660	20.3
221.30170	4.7
224.12846	5.9
227.09123	17.2
234.11169	6.0
235.09685	12.1
238.10716	21.2
252.12317	77.0
253.10535	5.1
254.13879	13.2
270.13342	100.0
271.06064	5.4
414.17432	4.9
432.18600	61.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72308	2.6
58.06318	4.3
58.06602	80.4
61.02924	2.7
64.51395	3.1
69.03419	6.3
71.06303	5.5
71.06638	3.4
81.03414	5.2
85.02940	14.1
88.50343	2.5
91.05482	3.9
97.02893	9.3
103.05447	3.7
107.04935	15.1
108.06460	2.7
109.02858	5.4
117.06956	2.5
121.06532	5.7
128.90068	2.6
133.06471	2.5
145.02802	3.7
146.09639	4.0
147.08131	3.2
149.05949	8.4
161.06096	3.3
163.03964	3.0
163.07562	4.4
165.05507	7.9
174.09100	3.7
175.07565	3.5
177.05492	28.3
178.82249	2.7
192.10133	6.2
195.06473	4.2
202.08641	8.0
217.08661	25.1
220.09682	11.0
224.12920	4.5
234.11177	8.9
238.10716	18.0
252.12277	33.3
270.13373	100.0
271.13699	4.4
304.04352	3.9
352.10605	3.2
394.77353	3.1
432.18723	21.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1107
Annotation	Unknow
Peak:m/z	Relative Intensity
57.90260	4.1
69.03430	5.1
71.01073	9.2
71.01418	5.2
72.08166	7.8
85.02897	10.9
86.09691	7.2
97.02876	5.9
106.95364	4.7
119.01923	7.7
135.04471	5.4
155.01875	7.2
163.03943	18.8
173.02916	6.4
174.87579	4.2
203.03996	11.9
221.05074	36.9
270.05173	4.0
275.06219	5.7
301.11462	13.9
388.54135	3.9
415.14841	5.3
433.10989	100.0
433.16211	65.0
434.11203	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	432.1323
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.6
58.24220	0.6
58.99581	1.5
64.23006	0.6
69.03428	1.3
69.07078	0.8
70.06580	1.3
71.04997	0.7
77.00623	11.3
79.05490	1.0
80.05011	1.3
81.03420	1.2
84.04505	0.8
84.08120	1.5
85.02910	3.6
86.09718	0.9
91.05453	1.1
92.61780	0.6
94.03247	0.6
95.04956	1.0
95.06082	0.8
96.04489	4.2
97.02867	2.1
98.21529	1.6
105.07025	0.7
106.06556	2.5
107.04932	1.6
109.02894	0.7
111.09611	0.6
119.04925	1.8
120.08102	0.9
123.04479	0.6
124.03947	100.0
126.05531	3.3
127.03931	0.9
135.66872	0.6
140.03424	2.1
146.05956	0.9
147.04372	3.9
148.07565	3.9
149.05952	0.8
151.03899	0.8
152.07094	0.8
176.07042	6.2
177.05482	0.8
178.08543	0.9
181.04916	1.0
182.06451	1.1
194.08127	2.8
196.09615	0.7
200.03754	21.0
202.05362	1.9
252.06892	4.7
258.32700	0.7
270.07922	52.1
271.06006	1.9
271.08569	1.2
391.88855	0.7
432.18430	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	431.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44489	4.9
55.05510	25.7
57.03431	12.2
57.52470	5.1
60.10765	5.2
67.05506	54.8
69.07050	17.8
71.08623	48.8
71.51634	9.3
79.05495	54.3
79.61928	6.5
81.03424	9.5
81.07056	52.4
83.04976	6.3
83.08616	8.7
84.10835	5.5
85.06562	6.7
91.05456	43.0
93.07037	56.0
95.04955	15.2
95.08602	42.1
95.61924	5.5
97.06522	13.9
97.07130	5.8
97.10161	6.5
98.98460	58.4
99.08086	45.4
105.07033	34.3
107.04961	13.5
107.08610	25.8
109.10154	15.1
111.08111	6.9
117.07042	5.3
119.08550	27.1
121.10142	26.1
125.09525	6.4
129.06966	6.3
131.08551	13.6
133.10130	26.5
135.11722	28.3
137.05965	14.8
137.09563	8.4
143.08536	6.6
145.10092	16.6
147.11687	17.0
149.13220	16.3
151.11145	26.2
155.01047	45.1
157.10086	9.6
159.11676	6.4
161.09639	5.9
161.13269	41.5
163.11125	18.7
171.11632	9.3
173.02180	12.1
173.13284	10.0
175.14868	12.4
179.14319	100.0
224.97224	6.0
241.19539	19.6
248.62057	6.0
259.20541	35.5
269.93393	5.5
277.21622	49.4
318.05182	6.0
333.24240	19.1
431.12430	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	430.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.2
55.01850	2.4
55.05493	1.0
56.05021	2.1
57.03157	1.6
57.03437	26.6
57.07076	16.3
58.06600	1.4
59.04970	1.1
61.02925	8.9
63.04492	20.1
69.03431	39.7
70.06599	1.9
70.95721	1.6
70.96075	1.3
71.01339	2.9
71.04983	2.2
73.02917	46.4
79.05483	1.7
81.03423	4.1
85.02904	46.2
86.09689	1.7
87.04467	11.6
87.27994	1.0
91.03947	1.5
94.06546	1.3
95.04939	1.4
97.02892	51.6
99.04466	2.2
101.09669	1.6
107.04942	2.4
109.02861	3.3
111.04514	1.0
115.03930	45.3
119.10693	100.0
120.08066	1.4
123.04442	1.8
127.03933	11.8
131.04889	1.4
133.04964	23.7
139.03909	2.2
145.04979	11.3
147.04428	1.8
148.07556	2.4
150.07579	2.7
156.20757	1.3
163.06056	3.8
165.05486	2.7
167.07074	2.2
177.05408	2.4
190.08588	1.1
191.07077	1.5
193.05008	4.0
204.08682	1.4
207.06476	1.5
215.12749	1.3
218.08159	1.8
223.05978	2.1
236.09212	3.3
241.07091	6.1
250.10732	4.4
251.14995	1.3
259.08081	4.1
268.11768	8.7
281.15994	3.0
295.10242	2.4
376.31564	1.2
405.08862	1.3
412.12857	1.5
430.16925	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	431.1522
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24320	0.9
54.55872	0.9
55.84827	0.9
69.78557	5.8
81.03409	1.4
85.02909	1.8
90.94817	1.2
91.05814	2.3
96.04460	1.1
97.02864	1.0
98.98482	1.2
107.04977	2.7
124.03925	5.8
140.98412	1.2
148.97472	1.1
149.94600	1.6
153.99225	1.2
167.05669	1.4
172.05089	0.9
176.96953	3.1
200.03770	1.6
203.05107	1.3
225.01031	1.0
234.98946	1.6
251.08942	1.7
255.13712	1.0
269.09760	1.2
270.07974	3.5
303.07037	1.0
311.57907	1.0
361.02594	1.6
401.05246	1.4
413.14462	5.1
431.15256	100.0
432.15750	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	429.2121
Annotation	(-)-Sonchuside G
Peak:m/z	Relative Intensity
53.03945	9.5
55.01876	4.5
55.05517	13.6
57.03432	13.0
67.05502	21.0
68.00297	1.8
69.03434	29.8
69.07065	7.8
70.06582	2.6
71.01349	4.0
71.04997	7.1
71.41598	1.5
71.51625	3.5
71.59246	1.8
73.02912	3.9
79.05488	20.3
79.43673	1.8
81.03419	84.2
81.07064	23.7
83.04984	20.8
83.08611	20.1
85.02905	26.3
86.09721	9.4
91.05459	23.6
93.07043	20.4
95.04963	26.2
95.08622	8.3
95.64669	1.8
97.02892	50.7
97.06557	5.8
97.10194	3.1
99.04450	7.2
105.07043	18.0
107.04955	10.8
107.08606	9.4
109.02890	13.5
109.06542	4.7
109.10177	3.7
111.04439	6.9
111.08112	9.2
117.07036	3.5
119.04937	2.2
119.08585	15.7
121.06480	5.3
121.10096	9.7
123.11737	3.2
125.09651	2.9
127.03942	18.4
129.05518	4.5
129.07036	11.0
131.08583	9.3
133.06514	4.5
133.10152	8.9
135.11815	2.2
137.06003	4.1
137.09560	2.6
139.88258	1.9
142.07753	3.0
143.08580	3.2
145.10152	4.3
147.08093	4.3
147.11696	16.7
149.06007	2.0
149.09676	5.5
157.10147	11.2
159.08081	2.5
161.06067	3.0
165.05577	2.2
165.12784	7.6
167.05598	2.1
175.11177	13.8
183.06551	3.1
189.11261	2.3
189.12834	2.7
191.10707	2.4
193.12248	59.9
211.13295	100.0
212.13615	3.3
219.10097	2.6
227.12852	5.6
227.17719	2.1
229.14429	3.4
235.13324	4.6
249.14977	7.2
259.13168	2.6
267.15988	7.4
279.26932	2.0
285.16959	18.9
313.16287	3.0
337.16476	4.0
355.17651	3.6
359.03156	4.6
393.19077	3.8
411.20145	6.2
412.29486	1.9
424.29050	2.2
429.21265	73.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99493	0.7
53.03944	7.6
55.01868	9.3
57.03428	7.0
60.04514	1.2
61.02925	7.4
68.99799	3.5
69.03427	32.0
69.23022	5.7
69.23437	2.0
71.04989	4.9
73.02908	8.3
74.06192	0.7
78.00617	0.6
81.03418	33.1
85.02903	100.0
87.00828	35.5
87.04482	1.4
91.03946	1.6
97.02891	34.3
98.06055	0.9
99.04449	16.9
101.02367	1.1
103.03929	1.1
103.93266	0.8
105.01865	32.5
105.07021	1.1
108.04490	9.7
109.02879	34.6
115.03943	1.5
117.01862	5.2
121.85484	0.8
126.05540	4.7
127.03913	78.0
127.48167	0.7
128.04218	1.2
129.01810	5.3
133.06491	0.8
137.06023	2.9
141.64984	0.8
144.06630	1.0
145.04958	44.5
147.02905	3.0
148.05229	1.0
159.02887	30.1
165.09117	1.5
171.02794	0.7
177.03963	1.7
187.07584	0.8
189.03934	1.8
189.09077	5.8
212.05574	1.4
213.03995	3.1
227.10703	0.8
230.06589	4.1
231.04993	17.0
231.10074	3.5
244.66563	0.8
248.07501	3.8
255.10229	1.8
273.11261	2.9
350.58270	0.8
363.25272	0.8
453.75610	0.9
454.59149	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3569
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20467	1.3
53.55686	1.2
55.05514	7.3
55.90337	1.2
57.07068	4.4
60.56477	1.2
66.70064	1.3
67.05501	5.6
69.07068	27.1
69.47199	1.1
71.08620	3.5
71.52715	2.0
77.37552	1.2
78.47932	1.2
81.07056	7.9
83.01351	1.3
83.08610	9.7
91.05492	2.2
93.07041	2.8
95.08597	5.0
97.10176	5.6
105.07003	1.6
107.08582	2.6
109.10133	5.9
110.08958	1.3
111.11722	1.8
114.03762	1.3
119.08588	2.8
121.10143	1.5
123.11716	2.9
133.10107	1.4
135.08064	2.4
135.11598	2.0
137.09641	8.4
149.09613	8.0
151.07599	2.8
159.11803	1.7
163.11169	5.0
165.09111	100.0
166.09462	1.6
173.09587	1.3
175.07547	1.3
175.11226	2.7
177.09077	7.1
177.12683	1.6
179.10706	1.9
187.11159	2.0
189.09114	3.0
191.10693	6.9
191.53394	1.4
192.68698	1.3
201.12657	1.8
203.10648	6.6
203.14255	1.4
205.12251	9.9
209.55011	1.3
210.02295	1.3
217.12309	1.4
219.13841	3.4
231.13785	2.0
345.27921	1.9
399.32547	1.4
427.35822	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	429.0797
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96552	7.9
69.03418	9.9
70.06602	11.6
71.51145	9.9
73.04771	9.6
81.03395	13.0
81.09412	7.2
85.02900	24.8
86.90904	12.2
91.05785	16.3
97.02856	8.2
104.10786	9.3
108.92448	9.0
119.01901	16.6
127.03947	12.4
130.37692	8.5
131.01967	9.0
148.10963	7.8
152.16356	7.9
157.03500	11.7
161.02950	12.3
179.03258	10.4
190.51102	10.0
195.04999	7.9
247.04942	8.3
248.05396	9.5
275.85745	7.5
309.08215	14.9
321.17325	7.5
369.10367	18.1
397.10693	9.7
411.12634	30.9
429.07819	100.0
429.13269	71.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1155
Annotation	Unknow
Peak:m/z	Relative Intensity
60.81367	3.3
66.09168	3.5
69.44064	24.3
69.44485	8.7
81.95987	3.5
84.14292	3.2
85.02896	4.9
85.68310	3.8
98.21556	6.7
100.54548	3.6
104.10753	3.8
106.06567	3.9
136.22922	3.3
138.16283	3.3
161.03000	4.5
230.55692	4.4
239.49362	3.7
267.08276	3.5
382.89258	4.2
429.12268	100.0
430.12497	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	429.1368
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75460	0.4
51.82859	0.3
56.17682	0.4
61.02927	0.4
69.03425	0.7
70.06574	1.5
70.06932	0.4
71.04985	0.6
71.50807	0.6
72.77435	0.4
72.93801	0.4
73.04749	0.6
79.05492	0.6
81.03412	0.9
81.73729	0.4
82.69879	0.4
83.57993	0.4
85.02893	1.7
85.07653	0.7
86.09678	0.4
90.40628	0.4
91.05790	1.3
97.02896	1.1
105.07024	0.5
107.04954	1.5
121.06481	0.5
123.04485	0.5
131.38786	0.3
136.06168	0.5
149.06000	0.7
151.03825	0.6
158.97423	0.9
164.07045	0.4
167.05505	0.5
179.03169	1.1
185.04189	1.4
186.96898	0.5
203.05307	2.1
216.98183	0.5
234.99040	1.6
249.07298	2.1
250.10721	0.4
267.08362	2.9
273.09387	1.2
282.87961	0.4
340.99503	1.3
359.02728	1.4
359.55267	0.5
429.13678	100.0
430.13773	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	429.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44304	2.9
53.03938	9.3
55.01873	4.5
55.05508	12.2
57.03433	18.0
67.05508	14.4
69.03429	34.1
69.07060	7.4
71.03073	3.9
71.03405	4.2
71.04977	10.8
71.71264	2.2
79.05481	15.3
79.55157	2.4
81.03411	82.0
81.07052	23.5
83.04978	26.0
83.08607	17.2
85.02901	23.9
91.05439	19.0
93.07034	11.7
95.04964	20.7
95.08598	10.9
97.02313	3.4
97.02888	47.8
97.06503	5.1
99.04428	7.5
105.07001	14.1
107.04938	5.4
107.08601	6.3
109.02856	11.0
109.06509	4.4
109.10079	3.1
111.04401	5.9
111.08060	7.9
119.08569	11.2
121.10103	5.7
127.03918	11.5
129.05478	5.6
129.06976	9.3
131.08556	7.4
133.06465	2.6
133.10094	2.7
135.04402	5.1
139.04207	3.6
142.07780	3.8
145.02824	5.1
145.10132	2.8
147.08078	2.8
147.11679	11.0
149.09573	3.9
157.08578	2.2
157.10095	9.5
163.03871	19.1
165.12811	6.0
175.11188	13.6
184.07182	3.1
185.43375	2.2
193.12248	57.7
199.16937	2.1
211.13274	100.0
212.13602	4.9
216.23717	2.4
227.12701	3.0
229.14301	3.0
232.52776	3.0
249.14870	3.7
285.16895	8.6
429.20593	74.0
429.31689	33.2
430.20837	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	427.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.4
57.07080	1.3
60.62729	0.5
66.61552	0.4
67.05498	1.3
69.07065	8.4
69.56640	3.7
73.06546	1.2
79.05481	0.9
81.07055	1.3
83.04990	0.5
83.08604	1.0
84.08159	0.5
86.09702	100.0
87.10036	1.4
91.05486	1.1
93.07049	1.5
95.08621	2.9
97.10191	0.5
105.07027	1.4
107.08579	2.1
109.10149	1.8
112.07626	0.9
119.08580	1.4
121.10142	1.7
133.10121	1.0
135.11638	0.7
145.10101	0.7
147.11681	1.0
149.13245	1.0
159.11714	0.8
161.13223	1.3
163.14763	1.2
168.13824	1.3
175.14735	0.7
177.16405	0.5
184.07350	0.8
186.14886	73.0
187.15157	2.3
189.16356	0.7
191.17975	0.9
203.17967	1.8
205.15941	0.6
214.14374	27.8
215.14751	0.8
223.16713	0.5
281.22128	0.5
314.19604	12.5
315.19876	0.9
399.28439	6.9
417.44940	0.5
427.17377	0.5
427.28140	1.0
427.35510	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.8
55.01856	4.4
55.05236	1.5
55.05508	23.4
57.03421	4.6
57.07058	5.9
59.04984	5.8
61.02924	6.7
67.05492	6.0
68.74342	1.2
69.03429	22.7
69.07059	6.9
69.31289	14.0
71.04984	4.3
73.02906	3.3
73.38265	1.4
79.05485	7.6
81.03410	12.7
81.07049	10.7
83.04975	27.4
83.08604	3.1
83.44951	1.4
85.02898	52.6
85.06525	7.8
86.06859	1.5
87.04450	4.1
91.03973	3.4
91.05456	10.3
93.07021	8.3
95.04964	38.2
95.08611	9.3
97.02890	20.2
97.06525	2.1
98.21592	2.7
99.04436	3.7
101.06007	16.0
103.05430	2.4
105.07008	9.6
107.04932	6.3
107.08586	12.4
109.02872	7.4
109.06533	10.9
109.10164	10.7
111.04417	3.8
115.05382	1.4
117.07017	4.5
119.04940	2.2
119.08586	9.1
121.06483	5.8
121.10119	11.5
122.06028	1.7
123.04440	2.0
123.08051	4.1
123.11726	7.4
125.05926	2.4
126.76331	1.5
127.03886	13.6
129.06964	2.4
131.04977	2.2
131.08562	4.5
133.06473	1.6
133.10106	3.7
135.08031	8.8
135.11647	10.3
136.05159	1.5
137.05946	12.5
137.09554	1.4
138.05482	27.3
139.03976	1.7
139.05833	13.9
143.08580	2.6
145.04944	4.2
145.06416	1.9
145.10133	9.0
147.08018	2.2
147.11652	7.4
149.09561	4.4
151.03912	6.9
151.07523	6.0
152.01552	1.4
159.08028	5.5
159.11670	3.8
161.05917	2.5
161.09602	4.4
161.13243	3.3
163.07506	2.5
163.11110	8.2
165.05560	1.9
165.12743	68.7
167.07028	7.2
171.11618	1.7
173.09618	2.7
175.07571	3.4
175.14833	2.2
177.09064	10.3
177.12737	1.7
181.06541	1.5
185.13301	1.9
187.07498	2.2
187.11227	2.3
187.14806	5.6
189.12738	6.9
191.07039	1.8
191.10611	9.5
195.10165	3.3
197.09535	1.7
198.06804	1.5
201.09099	1.7
201.16296	1.6
203.06969	2.2
203.08659	1.7
205.15845	9.2
213.09033	1.6
217.08386	1.7
227.06944	1.5
229.15862	5.4
235.07504	1.8
247.16905	42.9
251.06921	1.6
265.17972	100.0
266.18393	1.6
282.09238	1.5
289.08746	1.9
291.09952	2.7
293.11511	1.6
295.10074	1.9
308.10132	1.7
309.11044	1.7
317.13998	2.8
320.10669	1.6
321.10889	3.9
323.12878	1.8
324.09616	1.6
335.12848	1.8
341.13766	2.7
347.12946	2.1
351.12335	2.2
352.13000	1.5
353.13782	2.4
363.11929	1.8
365.13879	2.9
377.13446	1.8
379.15326	2.0
384.15582	3.6
391.15570	3.7
409.16299	6.0
427.17468	12.6
427.23212	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	427.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.4
55.01866	3.4
55.05512	16.2
57.03426	6.1
57.07063	5.6
58.07397	1.5
59.04998	6.5
61.02908	4.4
66.59505	1.5
67.05489	5.9
68.48215	1.4
69.03437	19.8
69.07068	10.5
69.16438	18.2
70.06599	2.3
71.04993	2.9
73.02888	2.0
74.07906	1.4
79.05480	4.9
81.03434	8.7
81.07057	9.9
81.99985	1.5
83.04981	26.0
83.08641	3.9
85.02907	46.9
85.06539	6.8
86.06901	1.8
87.04462	2.8
91.05490	7.2
93.07043	11.2
95.04971	30.3
95.08611	8.7
97.02887	19.5
97.06519	2.3
99.04450	3.1
101.06021	13.6
105.07063	9.8
107.04948	4.2
107.08586	12.2
109.02878	6.3
109.06494	12.6
109.10156	11.5
111.04433	3.2
115.05473	2.6
117.07015	3.7
119.04939	2.8
119.08578	10.0
121.06506	6.1
121.10149	9.1
122.61773	1.6
123.04425	2.5
123.08012	1.8
123.11712	7.3
125.05980	1.9
127.03895	10.2
129.07037	2.3
131.04909	2.2
131.08598	6.8
133.06491	2.3
133.10117	5.7
135.08073	10.5
135.11667	8.0
137.05949	8.0
138.05490	26.2
139.05835	9.8
144.05667	1.7
145.04970	5.5
145.06477	3.4
145.10115	8.4
147.08075	2.0
147.11699	11.1
149.05966	2.0
149.09613	6.0
149.13210	1.6
151.03957	7.2
151.07526	3.7
159.08055	5.6
159.11652	5.6
161.06007	3.5
161.09622	3.2
161.13208	2.8
163.07559	2.0
163.11177	6.1
165.05481	3.2
165.12755	70.2
167.07054	6.1
168.51326	1.5
171.11665	3.6
173.09671	2.0
173.13293	2.6
175.07607	2.4
175.14851	2.0
177.05559	1.5
177.09111	6.8
187.07585	2.0
187.14818	4.9
189.09116	1.7
189.12755	6.6
191.10619	5.8
195.10088	1.8
201.09038	2.8
201.16248	1.7
205.15891	8.5
213.09129	2.9
215.10628	2.1
217.15816	2.3
219.17421	2.0
225.09201	1.8
229.15837	4.6
243.10074	2.4
245.08043	2.3
247.16908	38.6
257.36530	1.5
265.17981	100.0
266.18359	3.4
297.11319	1.8
305.08221	1.9
305.11691	1.7
307.09616	2.4
308.10547	2.1
321.10941	2.5
323.12732	2.2
335.12759	1.7
352.07950	1.8
353.13828	3.5
363.12067	1.6
365.13751	3.1
367.15210	2.4
384.15479	4.1
391.15558	3.2
409.16275	5.7
427.17505	13.7
427.23267	7.3
428.17972	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02070	0.6
53.03952	3.9
55.01862	1.3
55.05508	10.4
57.03440	2.3
57.07079	7.7
58.07388	0.6
59.05000	1.6
62.83601	0.6
65.03941	1.6
66.09570	0.6
67.05507	18.6
68.05837	0.7
69.03430	43.6
69.07066	5.2
71.04996	7.5
79.05493	9.1
81.03419	13.5
81.07055	100.0
82.07383	2.1
83.04962	1.3
83.08617	2.1
85.02888	4.3
85.06537	8.5
86.06896	0.9
89.06034	2.3
91.05489	2.9
93.07047	9.8
95.04981	5.4
95.08608	19.4
97.02891	84.5
97.06533	1.0
97.10165	8.5
98.03224	2.7
99.04457	3.2
99.08096	1.9
105.07030	4.5
107.04950	1.0
107.08591	4.7
109.02878	8.4
109.06509	3.3
109.10150	2.9
111.04434	1.4
111.08067	3.1
113.02367	0.6
113.09612	0.9
115.03938	1.0
121.06499	1.4
121.10133	2.8
123.04414	0.8
123.08054	2.0
123.11704	90.8
124.12045	2.9
125.02406	0.7
125.06002	0.7
127.03912	8.1
131.08598	1.1
133.10159	3.2
137.05991	2.6
138.05496	32.1
139.04053	0.6
139.05852	15.5
139.11195	1.5
140.06067	0.7
141.12756	2.6
145.04953	0.8
145.06476	0.8
147.04390	0.7
149.06030	1.0
149.09624	0.8
151.07556	1.2
151.11165	11.8
151.78349	0.7
153.05351	0.7
163.03984	1.1
167.07019	0.9
169.12234	17.8
175.43900	0.6
177.05394	0.9
187.13264	11.2
219.13777	1.2
223.05986	1.4
283.15244	1.4
295.15729	0.9
313.16431	2.6
365.21033	0.8
409.18329	1.5
427.19550	11.0
428.19879	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1208
Annotation	Unknow
Peak:m/z	Relative Intensity
62.15536	0.5
69.03428	0.7
69.94609	2.4
85.02897	0.6
97.02905	0.9
99.55424	0.6
100.93926	0.6
109.02757	0.6
122.99584	0.7
164.07085	0.6
179.80954	0.6
185.04160	2.8
195.02655	7.5
233.04228	5.7
239.62411	0.6
255.08421	9.4
265.06839	43.1
266.07166	1.0
395.09302	0.7
427.12119	100.0
428.12558	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	427.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	19.8
55.01869	19.9
55.05509	14.1
55.55767	2.1
57.03436	19.3
58.55211	2.6
59.04984	3.5
64.81717	2.3
67.05506	22.4
69.03091	3.8
69.03428	45.1
69.07054	9.4
71.04998	17.8
71.50955	2.4
71.51320	3.2
71.55250	2.3
73.02901	3.3
79.05489	21.5
81.03414	100.0
81.07046	18.5
82.03743	2.9
83.04977	32.3
83.08608	8.9
85.02895	15.1
87.04469	2.7
91.05488	13.2
93.07040	39.3
95.04955	6.1
95.08590	13.5
97.02890	41.5
97.06516	9.4
97.10167	4.8
99.04434	17.2
105.07018	9.3
107.04944	4.7
107.08595	17.6
107.09196	2.7
109.02859	17.1
109.06532	5.5
109.10149	10.7
111.04443	16.3
111.08070	8.3
117.07017	4.2
119.08562	7.2
121.06497	2.6
121.10120	9.4
123.04375	3.0
123.08074	2.4
125.09632	3.6
127.03899	33.4
129.07016	3.0
131.08601	3.3
135.11681	21.4
145.10110	11.8
153.12724	29.9
163.11177	24.2
173.09647	3.2
181.12268	19.5
191.10687	10.8
209.11751	13.6
227.12784	50.2
336.92618	2.7
353.15802	16.3
366.21713	2.9
427.19601	91.7
428.20013	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	427.1002
Annotation	Dechlorobarbamide
Peak:m/z	Relative Intensity
51.60106	11.1
53.23799	9.2
53.39589	10.0
67.05486	9.1
69.81429	57.5
85.02898	10.4
85.40565	9.6
98.97604	13.1
106.72527	9.0
107.04964	21.9
128.98631	23.4
138.77234	11.7
151.03951	11.1
184.97762	8.9
202.17384	10.7
219.01793	16.8
237.02902	26.7
247.16933	10.7
264.05203	10.5
325.02347	21.5
335.58481	11.0
427.10141	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	427.1002
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03425	25.7
69.06561	19.2
70.01251	100.0
70.06567	32.5
75.78828	21.6
77.67513	22.0
85.02852	24.9
107.04952	48.5
136.07578	38.0
137.05965	24.7
146.31197	26.2
146.48090	23.4
164.07057	30.5
167.07095	57.8
173.06775	22.6
179.03506	27.3
201.09117	21.6
216.61716	20.8
248.16473	24.0
265.07031	79.4
384.15775	41.3
427.13876	24.6
427.17630	68.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.176
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95235	0.1
53.03939	0.5
55.54811	0.2
57.07076	17.1
65.06042	0.2
67.01854	0.2
67.10128	0.1
69.03432	2.3
69.63621	1.1
71.04993	0.5
78.03461	0.5
79.04230	0.5
81.03419	4.0
81.97859	0.2
85.02911	1.8
85.06545	14.2
94.06523	0.1
96.04501	2.1
97.02893	10.9
97.65932	0.2
99.04459	1.0
103.03989	0.1
108.04471	0.6
109.02882	3.3
110.06010	0.2
124.03950	0.5
127.02970	0.3
127.03920	5.7
138.05501	100.0
139.05875	1.7
187.06017	3.7
188.06366	0.2
211.09592	0.4
229.10722	2.2
237.32881	0.2
289.12686	0.4
363.98062	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.8
57.06805	0.5
57.07076	10.1
69.03409	1.0
69.20290	2.0
69.20720	1.5
78.03452	0.7
79.04220	0.7
81.03426	1.7
85.02908	0.6
85.06541	8.7
96.04485	1.8
97.02889	11.8
99.04437	0.7
99.08107	0.5
103.07573	0.4
108.04469	0.5
109.02866	2.5
115.28605	0.3
124.03957	3.0
127.03908	5.1
138.05496	100.0
139.05836	1.2
145.04868	0.4
158.43703	0.3
177.54787	0.4
187.06039	1.7
209.37270	0.3
229.10699	2.3
307.31107	0.3
327.51660	0.3
424.75793	0.3
426.17624	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.321
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.9
57.07057	0.7
67.05501	1.1
69.07050	1.7
70.06580	0.9
71.08627	5.9
71.51263	1.0
71.51656	0.8
72.08133	0.9
79.05482	1.1
81.07044	2.3
83.08609	1.6
84.08135	1.5
86.06064	3.3
93.07028	1.8
95.08588	2.3
96.08116	2.5
96.57587	0.6
97.06535	0.8
98.06039	1.0
98.09680	2.7
99.08082	2.7
99.18926	0.6
107.08614	0.8
108.08094	1.6
116.10735	15.9
119.27026	0.7
122.09666	1.7
123.11651	0.7
138.09210	0.6
143.10640	1.4
147.72096	0.6
154.15894	2.2
164.42618	0.7
166.15947	2.3
178.15875	1.4
194.20531	0.6
196.16969	7.9
205.16193	0.6
214.18013	100.0
215.18318	1.9
224.43661	0.7
257.17471	2.1
310.23663	0.9
328.24869	3.3
354.55334	0.8
426.32043	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	425.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
69.33608	5.1
70.99849	0.7
77.00916	0.5
82.99878	1.8
90.29800	0.5
97.02906	1.0
98.20695	1.0
101.00870	15.8
108.09946	0.6
109.02864	0.8
113.00854	2.5
115.02477	0.7
116.25243	0.5
119.01913	29.2
127.02406	1.7
129.04007	0.7
131.01898	12.0
133.03424	1.1
137.02924	2.6
139.02429	1.1
139.97324	0.5
143.01891	26.8
144.02138	0.9
145.03462	10.6
149.02977	1.0
150.43617	0.6
152.41122	0.5
155.01884	12.5
157.03456	7.4
159.05106	0.6
161.02950	49.2
162.03090	1.5
163.04533	1.1
167.01883	8.6
169.03485	2.7
171.05023	2.7
173.02960	21.1
174.03064	0.5
175.04552	1.6
179.01869	2.9
179.04005	1.3
181.03455	0.7
184.04575	2.0
185.02948	36.9
186.03123	1.1
187.04530	3.5
191.04044	4.3
196.04453	0.8
197.02945	14.9
203.04004	15.2
204.04167	0.6
208.04573	0.7
209.02919	1.1
215.04007	7.1
221.05048	1.3
227.04030	7.2
233.05074	1.1
245.05060	100.0
246.05273	3.9
257.05075	5.4
263.06107	27.8
264.06384	0.8
275.06107	15.1
286.07523	1.1
293.07175	5.2
305.07132	8.1
305.44653	0.6
317.07281	1.2
335.08344	2.7
356.17596	0.6
365.09283	6.6
425.11786	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93349	1.4
53.03938	2.1
55.01870	6.9
55.05505	18.5
57.18242	1.5
67.05500	14.3
69.03429	1.6
69.07060	24.5
71.04993	15.4
71.51788	2.0
71.52176	1.7
73.06551	3.6
79.05484	21.2
80.19456	1.4
81.03386	4.9
81.07047	12.2
82.04185	1.7
83.04965	6.8
83.08150	2.2
83.08612	20.0
83.18078	1.5
86.09684	1.5
91.05468	19.3
93.07027	17.1
95.04956	100.0
95.08582	7.2
97.02859	2.6
97.06522	7.7
101.26293	1.4
103.05431	2.0
105.03394	4.2
105.06998	13.3
107.04945	7.3
107.08556	11.8
109.02856	1.7
109.06483	2.2
109.10107	1.8
111.04419	2.9
111.08045	3.5
113.05972	8.4
115.05385	2.7
117.07024	7.7
119.04898	2.6
119.08577	6.5
121.06501	16.4
121.10126	4.7
123.08076	5.1
125.05986	1.8
129.06985	4.3
131.04906	2.9
131.08549	12.8
133.02837	13.1
133.06471	12.8
133.10062	3.6
134.07280	9.0
135.08034	38.0
135.09015	2.2
135.11644	2.2
136.08887	1.5
137.05975	1.8
137.09624	7.8
141.06912	1.6
143.07030	9.5
143.08542	2.7
145.06439	1.7
145.10098	3.9
147.04366	2.1
147.08058	6.3
148.08797	3.6
149.09590	25.8
151.07529	1.7
157.10104	3.8
159.04404	9.2
159.08047	4.3
159.11766	1.7
161.02293	16.3
161.09602	3.0
163.03886	6.7
163.11208	8.5
165.06964	1.4
169.10095	2.0
171.04410	2.1
171.11703	3.2
173.02266	8.8
173.05901	2.9
175.11186	2.6
177.09099	18.3
183.11588	1.8
185.05922	2.4
185.09512	1.7
187.03906	1.6
194.09314	7.3
195.10132	69.1
196.10529	1.4
197.06007	2.1
199.03928	3.0
199.14899	2.1
201.28770	1.9
203.10577	1.8
211.03813	2.2
211.13158	1.9
213.05467	3.9
217.15846	2.8
221.11758	8.0
225.05518	2.2
235.13249	6.1
239.03352	7.3
241.04791	1.5
245.15489	2.4
246.16174	2.4
247.16943	4.4
263.16370	6.5
264.17160	8.8
267.10187	4.2
279.10162	1.6
283.13309	2.1
293.08139	4.0
295.09567	4.7
297.11154	13.0
309.11069	2.8
337.10513	10.4
353.19183	2.6
355.11691	70.3
389.17255	2.3
407.18417	7.6
408.18939	1.9
425.19522	54.0
425.25250	3.9
443.20425	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	424.181
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	5.9
64.93806	4.8
69.03436	9.3
71.04984	11.6
71.11167	6.5
71.11488	6.5
73.02322	4.3
81.03420	12.4
81.07050	13.1
85.02893	8.1
91.05447	6.0
93.07038	17.4
95.04977	13.3
97.06512	6.0
105.07049	7.8
109.02888	11.4
109.06576	6.8
111.04428	7.1
111.08057	5.0
114.66513	4.7
121.06518	24.0
123.04407	8.4
125.02354	5.9
131.03482	6.9
139.03893	51.4
139.07533	8.3
141.05472	15.9
149.05995	33.0
151.03932	5.8
151.07513	7.5
155.03391	18.4
159.04488	5.1
163.07570	6.4
167.07079	21.9
177.05499	24.6
181.08572	17.9
183.06511	30.8
188.64964	4.7
195.06520	100.0
209.08072	20.8
227.09135	87.1
279.88208	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63284	0.8
53.03942	1.9
54.02171	0.9
55.01863	2.0
65.03925	0.9
65.58643	0.9
67.05487	1.1
68.99783	2.3
69.03423	4.2
70.42857	0.8
70.69110	1.8
70.69437	1.0
73.02900	1.2
79.05492	8.2
81.03419	5.6
81.07056	23.6
82.11561	0.8
83.05021	1.0
85.02898	7.1
85.32894	1.0
87.00832	5.7
91.05463	7.9
93.07041	30.9
94.07320	0.9
95.04964	2.7
95.08573	2.6
97.02870	3.8
97.06518	2.3
99.04428	3.7
101.02366	0.9
103.05449	4.0
105.04492	1.0
105.07018	3.2
107.04951	4.3
109.02855	0.9
109.06512	3.9
111.08083	5.5
119.04956	1.5
121.06501	32.6
123.04391	2.4
125.05984	1.1
127.03896	3.1
130.37300	0.9
131.04938	1.9
133.06418	0.9
135.02849	1.0
135.04408	2.5
135.08072	7.3
139.07539	17.4
145.04897	1.1
149.05975	15.1
151.03859	1.4
153.05469	1.2
153.09103	6.2
163.06187	1.1
163.07533	16.5
167.07043	25.1
177.05418	4.5
181.08597	9.4
191.07088	1.1
195.06520	100.0
196.06865	2.1
199.09700	5.0
209.08099	4.7
211.09589	2.4
213.07596	4.2
226.10680	1.5
227.09135	81.0
228.09447	2.4
250.41487	0.9
254.99428	0.9
293.09973	1.8
305.10202	5.0
311.11353	1.1
335.11185	2.8
339.10773	3.5
371.13388	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	424.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	7.4
64.24950	0.3
67.05513	0.3
69.69194	1.7
70.06573	0.5
74.00031	0.3
78.03458	0.4
79.04245	0.8
81.03422	0.4
81.07041	0.4
83.04981	62.0
84.05312	1.0
84.08096	0.4
86.09695	0.4
91.05485	0.4
92.87852	0.3
96.04518	2.0
97.02892	3.5
98.21513	0.4
99.04467	0.3
101.06010	2.6
107.04945	0.4
107.08586	0.6
108.04481	0.6
109.02852	0.5
115.01295	0.3
117.43283	0.3
124.03976	0.6
127.03931	0.7
137.06046	0.5
138.05501	100.0
139.05829	2.3
163.11192	0.6
163.72615	0.3
169.08499	0.3
184.07390	0.4
187.05992	0.5
227.09038	0.5
227.12694	0.7
242.08736	0.3
283.15262	1.0
380.15540	0.4
392.16986	0.4
406.17496	0.4
424.18546	0.6
449.99765	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99424	3.7
53.03939	4.2
57.60013	2.9
60.07261	2.7
69.03404	6.5
70.09232	13.1
71.04980	10.0
71.85220	3.0
79.05500	6.3
81.03397	15.1
81.07053	6.8
83.04968	3.2
85.02888	9.5
93.07045	16.6
95.04964	16.1
97.02886	7.5
99.00778	4.5
103.05448	6.5
105.07049	4.6
107.04941	11.8
109.02864	14.9
109.06493	4.7
111.04410	5.3
119.08589	4.0
121.06517	22.1
123.04418	8.6
125.02343	6.8
127.03917	8.2
131.03400	3.6
133.06554	4.3
139.02841	3.7
139.03903	63.2
139.07547	4.6
140.35841	3.0
141.05470	24.0
149.05991	38.9
151.03891	4.8
151.07518	5.4
153.05446	4.5
155.03391	23.0
159.04396	4.8
163.07536	8.0
167.07018	25.6
177.05460	22.5
181.08554	17.3
183.06573	23.0
191.07089	4.1
195.06535	100.0
196.06819	3.9
209.08099	21.0
227.09132	96.6
386.91257	3.5
424.72122	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	423.3618
Annotation	Glochidone
Peak:m/z	Relative Intensity
55.05502	10.6
57.07052	7.4
58.04967	5.1
64.55286	5.2
67.05492	21.8
67.15218	6.5
69.07073	15.0
70.71635	13.7
70.71992	12.9
81.07059	32.4
83.08602	16.5
91.05481	12.3
93.07041	17.6
95.08597	62.5
97.10136	7.2
105.07018	19.0
107.08604	28.2
109.10149	61.6
111.08088	9.5
111.11633	9.1
119.08569	22.5
121.10143	12.9
123.11697	16.2
131.08557	23.3
131.67676	5.4
133.10103	18.5
135.11705	9.3
137.13234	15.2
143.08525	17.5
145.10132	88.4
147.11679	11.9
155.08554	9.9
157.10182	30.1
157.97316	6.2
159.11676	23.7
161.13219	8.4
165.16452	8.1
169.10121	20.3
171.11682	21.4
171.97148	6.2
173.13240	14.6
179.14229	6.8
183.11679	22.1
185.13252	14.9
197.13220	10.5
201.16325	13.2
203.17986	11.2
208.48523	6.5
215.17950	11.5
227.17969	7.8
239.17908	43.6
253.19478	8.4
257.18982	6.8
268.04608	6.5
269.22586	9.5
311.27200	8.2
405.35062	34.1
423.24841	7.6
423.30862	9.1
423.36188	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.154
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	3.1
56.96564	14.5
58.06343	2.3
58.06601	22.1
58.99579	1.9
59.07384	10.8
60.08165	100.0
67.04251	18.2
69.03423	4.9
70.26922	4.0
70.27312	5.9
73.02920	2.1
73.16976	1.7
79.05515	2.2
81.03423	3.3
82.06588	2.3
85.02902	8.3
86.00636	2.6
87.04465	6.2
89.03906	3.2
91.05476	5.2
95.06050	2.0
97.02888	5.4
98.00653	3.2
98.97575	13.1
101.00875	3.9
105.07018	2.3
107.04936	5.3
109.02892	8.7
109.07610	2.3
111.05499	2.0
113.01676	4.0
115.62032	2.0
116.98605	8.3
117.03377	2.4
119.01939	9.6
119.04915	7.4
119.38451	2.2
120.05721	2.7
121.70430	1.8
124.04371	3.5
124.05213	52.6
125.01700	23.6
125.02530	3.1
127.03230	4.3
128.98607	4.3
131.00211	1.9
131.01918	4.6
131.04782	2.1
133.06438	1.9
134.02193	1.7
134.99648	4.1
135.04387	4.6
137.05978	59.1
138.06683	2.1
141.01173	63.0
143.02797	25.8
144.02048	3.1
145.03537	2.6
145.04848	1.8
146.99667	2.7
147.04439	5.9
149.01022	2.0
151.07579	4.0
152.08293	19.7
153.08585	2.1
155.01881	5.1
158.99643	7.8
159.02245	13.2
161.01270	3.7
161.02960	15.6
161.05965	2.6
162.03065	3.6
163.02609	4.0
163.03899	26.6
163.07486	2.7
164.07109	3.0
166.99104	4.3
167.01996	2.3
167.07069	5.1
168.05893	5.0
169.03494	1.9
171.02206	9.2
173.02966	7.8
174.06848	2.4
175.06451	1.8
177.00723	8.9
177.05559	3.7
179.02029	1.9
179.07019	11.2
180.07816	67.6
181.08153	3.3
185.00056	3.1
185.02974	6.8
185.06149	26.1
186.06796	3.3
187.01677	13.6
188.92107	1.8
195.06441	3.2
197.02948	4.3
200.08464	6.9
202.10109	13.5
208.88457	2.1
209.97734	1.8
215.03967	2.4
219.01805	5.1
227.09077	3.3
228.05923	3.5
228.08006	20.1
237.02750	5.3
244.05046	2.9
244.07544	55.5
245.05058	14.9
246.09096	22.9
255.04239	2.0
256.11884	2.5
263.06186	2.5
294.10928	2.5
309.08572	6.4
324.07217	3.4
335.93793	2.2
337.08536	15.4
338.08578	7.0
350.15121	2.0
365.08490	12.7
378.61102	2.0
400.09454	2.2
424.15906	62.9
425.15509	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	9.3
55.01856	5.3
55.05514	25.1
57.03435	7.2
57.07073	4.8
59.05009	3.9
65.03941	7.4
67.05507	100.0
69.03436	14.0
69.07056	27.4
69.58300	21.1
71.04987	4.9
77.38218	3.8
79.05494	37.8
81.03411	21.2
81.07054	70.4
81.16047	3.4
83.04972	8.1
83.08630	12.0
85.02898	10.6
85.06518	3.9
91.05481	41.3
93.07043	56.7
95.04966	14.1
95.08597	39.1
97.02889	9.3
97.06537	11.0
97.10167	4.9
99.04442	6.0
103.05481	4.1
105.07034	31.6
107.04969	5.6
107.08613	36.7
109.02853	4.5
109.06526	13.2
109.10156	45.8
111.04485	3.9
111.08070	4.9
117.07032	15.6
119.08588	29.3
121.06481	4.6
121.10127	23.8
123.04367	3.8
123.08062	13.8
123.11691	6.6
129.05496	3.9
129.07002	7.2
131.08542	21.2
133.06483	5.6
133.10118	24.3
135.08063	10.1
135.11736	16.0
137.09645	6.3
137.60762	4.1
141.07018	4.1
143.08585	9.3
145.10141	15.1
147.11699	15.5
149.09698	4.5
149.13286	13.5
151.07620	4.2
155.08632	5.6
157.10143	7.6
159.08115	3.5
159.11707	15.2
161.09685	4.0
161.13283	8.5
163.14885	5.3
167.08524	4.0
169.10085	6.1
171.11639	4.7
173.11736	11.5
173.13167	6.2
175.14857	5.3
179.14301	12.5
187.14838	4.2
193.20601	3.5
197.13307	3.7
241.19579	4.6
243.21138	3.9
259.20526	3.9
261.22238	11.6
273.22287	4.7
277.21805	5.6
291.23065	3.4
301.21439	6.6
303.23230	10.0
331.26288	9.4
341.24957	4.3
345.24365	4.0
351.23059	8.0
369.24246	11.9
387.25317	13.8
405.26517	18.1
423.26639	36.3
423.31451	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	423.31
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68679	1.0
55.01867	1.2
55.05509	7.9
57.03427	2.8
57.07065	3.2
58.25643	0.8
58.91430	0.7
67.05508	9.8
69.06734	1.0
69.07065	9.6
71.04989	1.4
71.08608	2.1
71.21187	1.0
71.21525	0.8
72.50307	0.8
73.04040	0.7
73.06541	0.7
79.05492	6.3
81.07053	12.0
83.04982	1.0
83.08622	4.1
85.06533	1.0
89.55724	0.8
91.05475	3.6
92.68451	0.7
93.07034	9.7
95.08601	11.5
96.08865	0.8
97.06520	2.7
105.07035	5.6
107.08596	7.0
109.06514	14.1
109.10138	4.7
111.08086	1.8
117.07020	1.3
119.08575	5.6
121.10151	4.9
123.08064	48.3
123.11693	2.5
124.08385	1.6
131.08566	2.6
133.10104	3.9
135.08041	8.6
135.11722	2.3
137.09604	4.1
137.13208	0.8
145.10144	2.3
147.11655	2.8
149.09593	1.5
149.13269	2.5
159.11690	3.5
161.13251	1.2
167.14273	1.0
173.13318	1.2
177.12793	3.1
179.14291	37.1
180.14665	1.4
187.46703	0.8
191.14291	0.9
193.15918	0.9
205.15913	2.0
214.27728	0.8
233.19020	1.3
250.37328	0.7
263.20169	1.6
275.20090	4.1
289.25226	1.2
293.21097	2.3
303.26865	3.6
307.22452	0.8
331.26312	35.3
332.26624	2.7
349.27429	10.7
367.24924	2.0
405.29910	2.1
423.31033	100.0
424.31381	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	423.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73480	3.0
51.08800	3.3
53.03935	11.2
55.01866	8.1
55.05506	36.3
57.03416	8.4
57.07057	8.3
61.02924	3.7
67.05499	95.8
69.03427	37.1
69.07055	42.2
69.49282	6.8
69.49699	18.2
71.04988	11.4
71.05374	2.7
72.14776	2.9
73.02884	3.8
79.05485	66.3
81.03417	46.8
81.07047	100.0
83.04974	17.8
83.08618	18.4
85.02901	19.5
85.06509	4.6
88.83710	3.1
91.05474	60.4
93.07034	91.6
95.04976	20.1
95.08598	77.5
97.02878	23.0
97.06516	10.0
97.10147	9.4
99.04449	8.6
99.08111	5.7
103.03919	6.1
105.07021	54.2
107.04948	8.0
107.08592	50.4
109.02853	9.3
109.06501	13.8
109.10152	29.5
111.04425	9.4
111.08036	6.1
115.03922	4.5
116.78278	3.0
117.07019	25.0
119.08567	47.8
121.06484	8.5
121.10142	40.9
123.08084	16.9
123.11718	16.2
125.05995	3.1
125.09583	4.7
127.03913	10.3
128.06253	3.2
129.05473	4.8
129.06984	11.1
131.04913	3.9
131.08553	47.2
131.87242	3.6
133.06454	6.4
133.10112	33.9
135.08040	15.8
135.11682	26.8
137.05962	3.7
137.09613	10.1
137.13261	5.4
139.11189	5.4
141.06938	6.6
142.07767	4.2
143.08572	17.5
145.04930	3.7
145.10097	28.6
147.08080	6.7
147.11661	27.5
149.09642	5.4
149.13269	17.7
151.11134	3.7
155.08548	9.9
157.10062	17.4
159.08089	3.6
159.11687	32.8
161.09624	4.3
161.13216	20.6
163.07468	3.0
163.11147	8.5
163.14828	7.0
165.09140	5.6
167.08548	4.2
169.10172	7.5
171.11716	14.8
173.09615	7.2
173.11855	4.9
173.13287	13.4
175.11136	4.9
175.14818	8.2
177.12714	4.7
177.16360	3.5
179.14304	8.0
183.11736	7.1
185.13246	8.4
187.14819	11.1
189.12775	4.8
189.16391	3.9
191.14214	3.8
195.11639	6.0
199.14867	6.3
200.04880	3.1
201.12715	3.8
201.16202	3.4
205.11894	3.3
206.42815	3.5
211.11081	3.3
211.14795	6.5
215.14053	3.3
221.15366	4.2
231.13802	4.1
239.17725	4.0
241.19469	6.6
243.21107	5.0
249.14902	3.5
259.20514	14.5
261.22134	22.6
263.20114	4.4
273.22049	5.8
275.23584	6.7
277.21643	10.6
279.23099	5.5
283.54236	4.5
285.21817	5.0
289.21616	6.5
291.23120	8.3
301.21506	9.0
303.23163	26.6
315.23431	5.1
319.22861	5.3
331.26154	4.1
345.24445	6.2
351.23047	6.0
369.24118	27.7
387.25278	29.4
405.26337	33.9
423.27341	20.2
423.31622	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	423.274
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90789	13.0
54.12298	14.2
55.05511	30.6
56.89973	13.9
57.03433	12.7
57.07042	17.6
67.05506	81.9
69.03417	20.5
69.07071	16.3
69.90368	26.3
69.90784	51.1
79.05495	58.1
81.03416	36.7
81.07056	100.0
81.54485	12.4
85.25282	14.3
91.05471	56.1
93.07043	73.8
95.08600	90.4
97.02872	16.6
105.07018	62.1
107.08593	46.5
109.06499	16.7
109.10144	53.0
111.04466	13.6
114.87267	14.8
115.21529	15.8
115.76733	13.1
117.07051	33.5
117.44632	13.8
119.08572	61.4
121.05537	12.5
121.10152	39.5
123.08125	19.7
131.08578	27.5
133.10107	27.0
135.11650	27.9
145.10098	36.1
145.52377	14.5
147.11705	24.5
149.13271	27.2
150.84489	14.4
157.10153	23.9
159.11620	19.5
161.13275	16.5
173.13252	24.9
179.14330	14.8
259.20691	18.5
292.00729	17.8
292.03946	14.6
331.26126	15.9
369.24353	27.3
387.25177	33.2
405.26093	27.4
423.31290	41.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1798
Annotation	Eryvarin B
Peak:m/z	Relative Intensity
59.61308	1.4
65.40670	1.5
69.03427	6.2
69.86993	8.4
73.14650	1.4
79.05494	3.7
83.04982	3.5
91.05473	5.4
93.07008	1.8
94.04169	1.9
95.04976	1.5
103.05466	1.7
105.07034	1.7
105.16425	1.5
115.05451	2.9
117.07024	2.8
122.03643	10.5
129.06992	2.2
131.04913	3.2
137.05968	100.0
138.05467	2.4
149.06018	4.5
151.07527	18.0
157.06454	2.2
160.05203	2.2
161.05977	7.2
163.07585	7.0
169.06511	2.3
174.06793	2.5
175.07504	15.9
177.05434	3.7
177.09096	5.2
181.06517	4.3
185.05901	2.0
187.07541	5.2
189.09100	7.9
191.07071	5.5
195.08286	3.2
195.10132	16.8
198.06721	2.7
199.07526	9.7
201.09100	6.8
205.08609	3.4
211.07664	2.2
213.09163	7.6
215.08662	1.8
217.08521	3.3
219.10165	5.2
226.09804	1.8
232.08916	1.9
233.09444	1.7
233.11769	1.9
239.08406	2.0
241.08511	13.5
243.08098	3.4
246.06897	1.8
249.09102	3.9
255.07913	2.0
258.10382	1.8
259.11389	2.0
260.08234	2.4
261.09106	5.7
262.09866	2.2
269.09561	2.8
270.10367	2.4
271.07397	3.8
271.11295	2.7
272.08395	2.9
273.09186	6.2
274.09836	1.9
275.07016	1.9
275.10800	4.3
277.08704	3.8
278.09351	3.1
279.10193	1.8
281.11923	2.0
285.08942	3.9
286.09711	2.4
287.07263	2.8
287.10361	2.5
287.13171	1.9
288.08005	3.0
288.11371	3.8
289.08597	4.7
289.11990	2.6
290.09442	4.9
291.10095	3.5
292.10977	2.0
299.10144	3.1
299.13049	3.1
301.08585	3.5
301.12131	2.9
302.09415	3.9
303.10135	12.9
303.13531	3.3
304.10883	5.6
305.08325	4.1
305.11728	5.3
306.08823	6.7
307.09625	5.5
307.12878	2.0
309.11267	2.1
314.09506	3.5
315.10220	5.8
316.10919	4.3
317.11612	8.1
319.09793	3.5
319.13074	2.3
320.10333	4.2
321.11209	19.4
322.11990	4.1
323.13214	2.5
329.11874	7.6
330.12579	4.3
331.09723	3.0
331.13312	14.2
332.14081	2.0
333.11118	8.3
334.11923	2.2
335.12683	14.6
337.14291	8.7
341.14243	2.5
345.11279	3.7
345.14996	3.3
346.12091	4.7
347.12656	9.8
348.13708	2.2
349.10556	3.6
349.14365	8.4
351.12204	2.0
351.16092	2.3
355.13388	4.2
359.12842	3.0
361.14301	5.9
363.15955	8.5
364.12997	2.5
365.13800	25.2
366.14471	4.3
367.15433	3.2
373.14655	9.1
375.12054	2.2
377.13754	6.9
377.17844	2.7
379.15445	21.0
380.16022	3.0
381.16861	4.7
387.15796	2.5
390.14844	2.6
391.15326	6.3
395.18774	3.0
405.16980	28.0
406.17551	3.3
423.18021	89.8
424.18283	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38488	0.9
55.01867	3.3
55.05505	1.3
57.07054	1.1
61.01151	7.7
61.39983	1.0
67.65597	1.3
69.07050	1.0
69.89986	5.9
70.06594	1.4
72.04514	14.4
73.02913	3.5
78.03790	18.1
80.15186	1.0
81.03416	1.7
83.04972	2.5
84.08138	1.0
85.02900	8.7
85.06549	1.5
86.06076	2.5
88.02209	6.9
95.04965	3.4
99.04485	5.6
99.05562	3.7
102.03758	26.3
103.02171	3.1
103.03937	16.7
107.04903	1.3
109.02856	5.3
112.07638	1.4
113.05988	2.9
114.03757	3.9
120.04794	4.5
124.07578	1.9
126.05521	18.4
127.03891	7.0
129.06944	1.6
130.08681	1.9
131.06378	11.9
132.04784	13.3
141.06543	1.5
142.08656	6.0
145.04955	2.3
147.04395	1.0
149.07433	59.3
151.03940	1.1
152.07071	3.7
154.08640	1.6
158.02643	1.8
159.05898	2.6
175.05403	4.1
175.94035	1.1
180.06543	13.7
184.09718	2.7
198.07596	4.5
216.08679	1.2
225.13403	1.0
231.02859	2.3
231.11623	5.2
257.09531	1.9
261.12738	3.7
275.10565	2.7
283.56735	1.0
293.11639	100.0
294.12009	3.0
402.02377	1.3
405.16849	34.7
406.17368	2.4
409.87982	1.3
424.21603	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	4.1
56.96569	18.0
58.06593	2.8
58.99571	3.8
58.99855	2.9
60.08165	18.8
67.40442	2.6
69.03413	12.5
69.07056	6.2
69.87131	12.8
77.00913	3.3
79.05514	3.0
81.03382	2.9
83.08578	2.6
84.08164	3.9
85.02908	27.4
93.94852	2.5
97.02895	10.5
98.21472	2.9
98.97564	18.0
100.57387	3.3
101.00862	16.3
101.04247	10.3
103.02448	3.3
107.04942	6.5
109.02847	4.0
110.97554	4.0
113.00864	6.4
115.02452	7.2
116.98628	16.4
119.01937	43.5
119.04950	4.3
124.05218	9.9
125.01655	5.2
127.04010	5.8
128.98619	8.8
131.00227	2.9
131.01895	27.8
131.05566	4.7
133.03462	7.7
134.99644	6.6
137.02943	9.3
137.05978	12.1
141.01170	11.5
143.00197	3.5
143.01878	63.4
143.02806	4.5
145.03479	21.8
146.99646	4.2
147.01360	4.8
147.04283	3.6
149.03001	2.8
149.06641	14.2
155.01866	33.7
155.04659	3.4
157.03481	7.9
158.99675	3.7
159.05002	5.6
161.01457	3.8
161.02954	97.9
162.03177	3.8
163.02713	6.2
163.04056	3.9
171.05026	4.2
172.04303	22.0
173.02962	44.1
173.06592	31.6
175.04430	3.8
177.00731	10.5
177.06065	7.6
180.07834	10.6
184.04610	6.5
185.03020	8.2
185.06563	41.5
187.08170	8.1
191.07639	16.4
197.02901	3.3
201.06082	3.2
203.04002	11.0
203.07614	23.9
211.06155	3.8
211.08209	3.4
215.07683	11.8
217.09171	3.3
219.01735	8.3
221.05042	33.9
227.07603	4.2
228.07941	4.8
233.08737	4.3
237.02798	20.4
244.07513	9.4
245.05109	4.5
246.09140	8.6
249.08308	7.8
257.08740	4.9
261.08755	3.7
267.09238	6.4
275.09778	46.5
293.10815	100.0
294.11032	7.5
309.08588	9.2
316.12338	5.5
332.09979	2.9
333.10324	12.4
335.11731	8.5
337.08557	3.8
363.11447	24.1
378.37518	2.7
405.12332	22.7
423.13565	85.5
424.15311	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	423.0918
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	12.6
57.03417	6.9
57.25220	2.9
57.37779	3.0
61.02896	5.9
69.03411	9.0
69.26688	31.5
71.01351	6.8
72.08119	5.9
73.02913	9.8
77.69450	3.3
79.05478	9.5
81.03389	8.8
83.01305	6.2
84.08164	3.3
85.02886	21.6
86.09667	5.3
91.05476	57.3
92.05803	11.9
93.07055	5.1
95.01326	72.1
95.04971	18.5
97.02885	15.5
103.05448	10.7
105.03391	8.6
105.07018	13.4
107.04926	12.5
109.02853	8.8
109.80459	2.9
111.00791	5.5
111.04431	4.0
113.02432	3.7
115.03989	3.1
115.05441	27.4
117.07006	37.8
118.60671	3.3
119.04962	8.4
119.08541	9.9
120.08093	4.6
121.02850	8.9
121.06507	5.2
123.04426	9.5
125.02364	6.7
127.05521	4.2
128.06224	23.7
129.06989	62.2
131.04930	25.4
131.08577	11.7
132.05775	3.7
133.02875	8.6
133.06479	13.3
135.04393	22.7
135.07986	3.8
141.01773	17.8
141.07004	19.6
143.04878	8.3
143.08614	5.0
145.02785	4.7
145.06479	62.9
147.04385	20.2
147.08000	11.9
149.02379	15.6
149.05971	5.0
151.03886	28.3
152.06157	5.9
153.05505	6.0
153.06969	9.4
154.07764	3.8
155.03647	4.4
155.04877	26.6
155.06036	8.6
155.08498	7.4
157.06479	41.6
159.03000	5.7
159.04385	19.6
159.08029	9.4
161.02332	6.4
161.05936	12.5
163.03893	6.9
163.07576	4.4
165.01837	4.2
165.06976	9.6
167.03406	10.6
167.07259	3.6
167.08543	10.8
169.06471	12.3
171.04359	14.9
171.08003	6.8
173.02361	3.8
173.05988	56.8
174.06480	3.4
175.03899	14.7
175.07503	13.1
177.03955	5.2
177.05421	7.9
179.08487	5.4
181.04987	3.2
181.06430	7.6
183.04404	23.9
183.08005	9.1
185.05963	34.8
187.03911	7.7
187.07516	12.1
189.01831	9.9
189.05447	16.1
191.03410	6.1
191.07054	11.3
193.04971	4.9
195.08090	10.3
197.05974	15.2
197.09627	3.0
199.03864	11.5
199.07553	10.6
201.05460	77.1
202.06052	4.3
203.03445	5.1
203.07076	21.1
207.02757	4.4
209.05937	7.6
211.03802	12.2
211.07445	7.9
213.05396	29.1
213.08978	3.8
215.03488	3.4
215.07088	16.8
217.05034	7.9
219.06519	26.0
220.06766	3.1
221.05991	4.0
223.07515	8.0
225.05411	9.4
227.07004	8.3
229.04959	56.6
231.03003	6.4
231.06540	16.7
233.08038	4.8
237.05420	4.8
239.06972	7.6
241.04909	14.2
241.08514	5.9
243.06470	12.3
245.04436	8.0
247.06015	58.4
249.07584	5.0
251.07063	9.5
253.04880	7.0
253.08534	4.3
255.06573	7.4
257.04413	4.7
259.06018	14.2
261.07620	10.2
267.06467	8.3
269.08090	12.4
271.05969	5.6
273.03940	14.1
273.07498	4.3
277.07056	9.4
279.06519	4.5
281.08325	4.2
285.07559	5.9
287.05508	8.1
287.08981	5.0
289.07034	10.2
291.05014	7.0
297.07523	9.3
299.05533	5.1
299.09158	4.1
303.08649	12.9
305.06696	4.0
313.07111	8.6
315.08551	13.9
317.06485	7.1
325.06946	9.0
331.07999	9.7
333.09787	6.0
335.03705	3.9
335.07346	6.4
341.06293	10.0
343.08069	22.9
349.09131	12.4
353.05066	34.7
359.07626	28.6
361.09122	50.9
362.08997	4.9
377.08661	51.2
387.07043	9.9
395.09622	19.6
405.08167	27.0
423.09146	100.0
423.14749	6.7
424.09464	3.5
441.10309	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	421.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17323	1.6
55.01867	6.7
55.05508	12.8
57.03428	9.2
57.07066	7.7
67.05503	22.7
69.03454	1.9
69.07069	26.2
70.22114	6.0
71.04987	4.9
71.08630	2.8
79.05487	15.9
81.07052	35.0
82.75361	1.5
83.04981	6.0
83.08612	8.1
85.06561	6.2
91.05473	12.3
91.38190	1.5
93.07044	26.4
95.04971	3.7
95.08607	22.0
97.06536	10.5
97.10196	2.6
99.08130	1.7
102.90336	1.5
105.07030	11.1
107.08587	26.7
109.06511	16.7
109.10133	10.1
111.04472	6.3
111.08099	5.7
117.07026	1.8
119.08546	8.0
121.06635	1.8
121.10124	10.8
123.08055	14.0
123.11679	3.0
125.06041	5.1
128.18187	1.5
129.07028	2.2
131.08615	2.4
133.10172	6.3
135.08040	38.0
135.11671	12.4
137.05963	17.9
137.09641	3.5
145.10153	7.2
147.08052	1.9
147.11714	6.3
149.02328	1.6
149.09650	4.2
149.13319	3.2
151.07564	7.0
151.11234	2.6
153.12727	4.2
157.10106	2.9
159.11742	2.9
161.09671	6.1
161.13229	2.7
162.03212	4.5
163.11122	2.5
163.14793	2.6
165.12819	3.8
167.14363	2.7
173.13292	2.8
177.12735	10.4
179.14285	4.2
181.12296	5.1
191.14297	2.1
193.05058	2.0
193.12263	3.8
195.13910	2.4
199.14890	2.2
205.16104	1.8
221.19092	6.0
235.20572	3.4
249.18628	2.8
263.20224	4.7
277.21552	2.4
287.23895	2.5
291.19464	2.0
301.25467	2.1
303.26563	1.6
305.21460	3.5
305.24716	78.3
306.25119	2.4
319.26297	27.4
329.24896	8.2
337.27173	2.5
347.25797	100.0
348.26294	3.8
365.26636	9.9
385.09174	2.4
393.30148	5.9
403.28940	5.2
421.29489	64.7
421.78598	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	422.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65498	6.7
69.50378	27.0
69.50798	18.3
76.73286	5.4
85.02893	11.9
87.36729	5.6
91.05484	6.4
95.04963	33.4
98.20778	12.3
118.83883	6.5
119.04942	10.8
120.08085	18.1
123.04432	20.8
147.04465	13.2
151.03902	96.8
163.07637	6.1
165.05476	100.0
193.04932	17.2
207.06628	8.2
211.05949	11.3
225.07535	31.4
243.08810	9.2
362.20380	11.2
396.67630	6.7
422.16891	6.5
422.22571	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05032	3.1
56.93480	0.5
60.04515	0.6
69.07055	0.7
69.48405	4.4
74.06084	8.8
86.09706	100.0
87.10039	1.0
91.05482	0.8
93.07049	0.6
95.04980	0.6
97.06496	0.7
98.06081	1.5
98.98494	1.1
103.05470	0.9
107.04958	0.9
116.07121	1.4
120.08108	11.7
121.08413	0.8
126.05522	4.9
126.33012	0.6
137.06012	1.2
139.12283	0.9
141.91812	0.5
147.04408	0.6
160.07745	0.6
166.08618	5.5
167.07101	1.1
184.07405	0.5
195.11293	3.5
203.07103	0.6
211.14456	1.4
213.85849	0.6
233.16434	0.6
239.13902	10.3
279.17020	8.2
350.53003	0.6
353.27292	0.6
360.19186	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.0915
Annotation	4'-Demethylknipholone
Peak:m/z	Relative Intensity
55.05459	0.3
67.01814	0.4
67.05485	1.2
67.72427	0.2
69.07018	0.3
69.62476	1.7
79.05420	0.9
81.03382	0.3
81.06976	0.7
83.04933	0.3
91.05409	0.7
93.07002	0.3
95.04880	0.7
95.08541	0.4
99.07108	0.2
102.04614	0.3
105.06950	0.3
107.04880	0.3
107.08563	0.3
108.05665	0.3
109.10056	0.7
117.06923	0.2
119.08452	0.5
131.08449	0.3
137.02274	0.5
137.09486	0.3
140.25740	0.2
153.00764	0.3
153.01807	3.4
171.02814	0.6
180.80728	0.2
193.12248	0.2
209.05978	0.3
213.05353	0.4
235.03940	0.4
237.05389	0.8
241.04932	1.4
242.05653	0.7
253.04900	2.2
254.05707	3.9
269.08145	0.3
286.04694	8.9
287.04938	0.3
300.56461	0.2
305.08154	0.4
329.21072	0.6
333.07404	0.5
347.09247	0.2
359.05569	0.3
361.06882	1.8
387.04919	0.5
389.06528	11.4
390.06851	0.6
403.08032	1.8
403.24823	0.5
405.06024	56.8
406.06662	8.5
407.07205	0.5
421.09149	100.0
422.09506	5.2
434.59326	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	7.8
55.05517	17.5
57.03425	14.5
57.07077	35.9
67.05508	31.7
67.59961	2.5
69.07086	15.6
71.04989	5.0
71.51746	3.3
79.05483	26.1
79.37090	2.6
81.03419	6.5
81.07056	36.1
83.04973	11.4
83.08630	4.1
85.06548	16.5
90.03324	3.0
91.05493	24.3
93.07047	27.6
95.04975	14.5
95.08610	28.1
96.62205	2.8
97.06524	4.9
97.10156	4.2
105.07043	18.6
107.04951	4.2
107.08607	22.0
109.06532	21.3
109.10160	19.2
111.04456	4.1
111.08050	9.2
117.07008	5.3
119.08572	16.5
121.06529	5.1
121.10134	13.1
123.08074	11.6
123.11718	6.4
129.06976	4.4
131.08563	8.4
133.10107	12.9
135.07019	3.3
135.08054	58.6
135.11705	8.8
137.05994	24.2
137.09619	5.5
141.07043	2.9
143.08640	3.5
145.10121	9.4
147.11710	7.7
149.09596	10.3
149.13274	5.5
151.07532	8.8
151.11211	4.8
154.98387	2.8
157.10144	6.5
159.11713	6.4
161.09586	4.8
161.13242	5.6
163.11201	5.5
165.12794	8.3
169.09993	2.7
173.13290	3.7
175.11205	6.4
177.12758	16.0
179.14342	4.7
184.07378	3.9
191.14330	4.8
193.12329	3.6
203.14418	4.0
207.13783	6.8
217.38019	3.0
239.53979	3.2
249.15230	3.0
263.20020	5.1
319.26270	11.3
329.21002	7.2
329.24783	7.5
337.27600	6.0
347.25821	100.0
365.23029	3.3
365.26910	20.7
393.29922	10.6
403.24493	4.1
421.29727	92.3
422.29855	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	420.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	6.4
55.05503	1.4
57.03436	11.4
61.02914	11.7
69.03102	1.5
69.03434	21.3
69.85880	3.2
69.86275	3.4
70.06586	2.5
71.01327	3.0
71.04973	2.0
72.08147	4.9
73.02912	64.1
79.05480	2.0
81.03403	4.5
81.07065	2.0
83.04975	1.3
84.08146	2.4
85.02901	57.3
86.09698	2.3
87.04460	2.4
91.03947	3.0
91.05477	100.0
93.07045	1.5
95.04964	3.3
96.04480	1.6
97.02888	54.9
99.04420	3.3
105.07016	5.8
107.04920	4.7
109.02870	5.8
111.08057	1.5
115.03928	26.6
117.07014	2.2
121.06472	1.9
123.04446	1.4
126.05428	1.4
127.03904	20.8
129.06961	3.7
131.04927	1.9
131.08589	1.8
133.04950	27.4
133.06442	6.5
137.05960	5.8
143.03433	1.8
145.04953	30.3
145.06459	3.8
149.05972	1.4
150.07556	4.1
151.03940	1.5
157.06425	2.3
161.04436	3.1
161.05983	1.8
163.06038	12.6
163.07341	2.5
165.05415	1.9
167.06969	3.2
181.04892	2.3
187.07518	1.9
193.04988	1.6
197.56958	1.3
205.08604	5.0
217.08653	3.1
223.06003	4.3
225.07474	1.4
235.09642	2.2
241.07057	7.8
253.10689	3.7
259.08157	9.7
263.35284	1.3
263.90094	1.6
277.09201	3.2
295.10266	4.0
420.17773	1.9
420.24472	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07067	1.3
60.04005	1.4
62.60966	1.4
65.51208	1.3
66.72232	1.3
67.05508	5.7
67.41610	1.3
69.03421	3.0
69.07063	4.3
69.40313	11.6
72.76472	1.5
79.05502	6.9
81.03413	3.2
81.07056	100.0
85.02912	6.0
87.00829	2.5
91.05487	2.2
95.08616	15.0
97.02893	4.7
97.06532	1.5
98.20802	2.7
105.01842	6.1
109.02872	2.6
109.10118	1.3
118.55698	1.4
127.03928	7.8
137.05992	6.2
137.13248	21.4
145.04982	6.4
149.05963	1.9
151.03957	1.6
154.15932	1.6
167.07091	2.5
168.07420	2.4
180.62273	1.4
181.04991	2.1
194.75769	1.4
231.04965	2.0
271.09811	1.5
302.29291	1.6
314.97256	1.7
331.49109	1.6
390.52222	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.0462
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	3.1
56.05027	3.1
56.96553	6.4
57.03437	15.7
57.08001	3.3
58.99850	3.8
61.02917	7.9
64.80151	3.2
69.03425	27.7
69.15269	3.2
69.21124	4.6
69.21458	35.4
70.99819	3.1
71.04993	3.1
72.48428	3.1
73.02927	15.4
74.18744	3.0
77.00904	4.6
78.30519	3.7
81.03415	7.6
82.99840	4.5
85.02901	48.6
85.38142	3.2
91.03925	4.4
93.73138	3.1
97.02888	22.2
98.20862	5.5
98.97575	10.2
99.04431	5.4
101.00880	29.4
103.02432	7.1
109.02871	6.0
110.01343	3.1
112.99301	2.6
113.00872	5.1
115.02408	11.8
117.03976	17.7
119.01914	93.7
121.03479	7.4
127.02404	12.2
127.03911	20.3
129.03987	5.7
131.00175	5.4
131.01883	27.4
133.02559	4.1
133.03468	40.7
134.03548	4.0
135.05019	11.2
137.02917	16.7
137.05965	4.5
140.02376	6.1
143.00140	3.7
143.01915	16.6
144.99802	6.2
145.03462	100.0
145.04753	6.6
146.03658	3.5
147.01399	8.8
147.05023	13.2
149.02930	9.3
151.04576	6.0
155.01901	15.2
157.03448	19.8
158.99652	4.4
159.05028	27.6
161.02957	44.6
163.04671	27.3
165.06142	4.6
168.04956	4.6
168.99936	5.3
169.03424	41.0
169.04718	3.8
169.54614	5.0
171.01424	19.0
171.05013	14.4
172.99309	5.7
173.02946	33.7
173.04482	4.6
175.00891	5.8
175.04535	15.4
177.00746	5.2
177.02406	9.5
177.06029	6.2
178.04834	6.1
179.03998	6.2
181.28532	3.3
183.05058	5.7
185.02898	25.2
185.06528	6.5
187.00928	19.1
187.02783	6.2
187.04501	86.1
189.02466	36.5
189.06093	7.6
191.00444	3.3
191.03961	18.8
195.01427	9.5
197.02936	14.4
199.00894	11.6
199.04468	15.0
200.04350	5.0
201.02412	10.4
201.06055	6.9
203.03958	29.4
204.04266	3.6
205.01883	6.0
207.03528	11.2
211.00900	5.5
211.04469	7.1
213.02435	29.6
215.00356	11.5
215.04031	13.7
217.01891	25.5
217.05553	7.6
219.01640	5.3
219.03497	12.5
221.05008	21.4
223.04727	4.1
225.02411	5.1
227.04018	7.6
229.01920	19.0
231.03534	25.9
233.01440	7.4
233.05136	5.1
237.02686	7.3
239.00398	7.5
239.03954	6.7
240.56734	4.9
241.01837	7.1
241.05791	4.5
243.03506	8.0
245.01428	3.5
245.05038	22.3
247.02940	7.9
247.06638	10.8
248.05243	3.9
249.07814	3.2
249.57253	3.4
250.07104	8.1
251.02470	8.0
257.01364	11.1
257.05170	16.3
257.08521	4.6
259.02805	9.2
259.06784	13.8
265.04535	3.6
265.07700	11.2
266.99738	4.6
271.03055	6.5
272.06436	10.5
272.56784	4.2
273.04483	8.4
275.02533	24.6
275.05722	19.9
277.07538	6.1
285.01248	3.9
285.04459	7.1
287.02481	4.0
289.03995	11.0
293.03534	4.6
301.00378	13.2
301.03989	11.1
305.03674	3.5
315.01901	4.2
315.05527	9.0
317.03500	10.1
319.08594	5.3
321.10254	7.8
323.10251	12.0
329.03479	4.5
331.04977	7.3
333.03009	6.6
333.06647	10.4
337.09592	3.3
340.10239	7.2
343.01309	4.4
345.02759	7.7
349.06058	6.5
351.11423	4.0
361.02429	19.8
361.06152	6.3
403.03394	10.8
421.08167	24.5
421.12927	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	420.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.1
57.03436	19.4
58.74829	1.6
59.04992	3.4
61.02915	1.9
65.03934	2.3
67.05514	3.6
69.03432	69.9
69.26139	16.9
70.06573	4.1
71.01339	3.6
72.08164	2.1
73.02911	9.7
75.04479	3.9
79.05484	3.5
80.88893	1.8
81.03394	3.4
84.08135	2.3
85.02902	56.0
87.04470	43.4
91.03925	2.9
91.05480	100.0
92.05795	1.8
95.04978	1.7
95.08606	4.2
97.02893	76.1
97.03533	4.0
99.04428	2.8
105.07035	6.7
107.04972	14.8
109.02840	5.0
114.05515	1.9
115.03928	77.2
117.05502	3.3
117.07004	2.9
122.98151	1.7
123.04472	1.6
127.03922	7.5
129.07082	1.8
133.04968	84.6
133.06523	5.0
137.05960	2.7
139.03838	3.0
145.04965	13.0
145.06490	3.0
150.06538	2.4
150.07614	10.9
163.05991	4.1
165.05498	3.2
169.05002	1.9
175.07530	2.8
205.08623	4.2
217.08728	2.8
223.09639	9.7
226.02744	1.8
240.12250	4.9
241.07187	2.3
259.08060	4.3
295.10278	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	420.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89403	0.7
55.01861	0.8
57.03433	18.6
59.05007	1.1
60.04510	0.9
61.02929	5.9
65.03931	1.3
69.03425	16.9
69.28309	7.7
71.01329	2.3
71.04989	0.8
73.02912	39.1
75.78700	0.7
75.79187	0.7
81.03439	1.3
85.02377	1.6
85.02901	28.5
87.04440	2.3
87.90668	0.7
91.05478	100.0
92.05799	1.7
95.04900	0.8
97.02885	41.7
98.03179	0.8
98.21567	1.8
99.04461	1.2
105.07031	1.4
107.04972	2.7
108.05293	0.7
109.02854	3.1
115.03926	26.1
117.07047	1.4
127.03915	9.7
129.07019	1.8
132.06538	1.2
133.04958	9.3
133.06488	2.7
136.04764	1.1
140.04230	0.7
145.04951	10.8
145.06494	2.4
149.05975	1.8
150.07629	3.7
157.06494	1.4
161.04439	3.2
163.06030	5.6
166.05704	1.0
171.08017	1.0
175.07417	1.2
177.05354	1.4
178.05824	1.1
193.05019	0.8
199.90797	0.9
205.08583	2.1
217.08580	3.6
223.05984	2.8
235.09708	3.0
239.97998	0.9
241.07100	3.8
247.58643	0.9
253.10735	4.3
259.08072	3.9
347.64938	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74316	1.1
53.03933	1.2
55.01866	1.7
55.05515	10.4
57.07070	1.6
59.59879	1.2
67.05505	13.2
68.87881	1.0
69.03422	1.9
69.07072	8.7
69.22809	6.8
69.23232	4.6
71.04975	1.3
79.05504	13.5
81.06597	2.1
81.07059	32.2
83.04970	4.5
83.08604	3.4
86.35881	1.2
91.05477	14.3
93.07045	16.2
94.96994	1.1
95.04955	4.6
95.08608	10.6
97.06526	2.8
98.21563	2.6
105.07028	15.9
107.04945	3.8
107.08595	10.4
109.06514	8.5
109.10146	5.0
111.08097	1.4
117.06992	5.7
119.08566	8.8
121.06497	6.9
121.10152	4.7
123.08091	3.4
123.11692	1.5
129.07004	2.1
131.08568	12.7
133.06499	2.8
133.10127	9.1
135.08076	2.6
135.11729	2.3
143.08582	2.7
145.06503	2.5
145.10101	9.7
147.08044	3.0
147.11743	8.3
149.02382	1.2
149.09644	3.5
151.11165	3.5
151.35721	1.1
155.01022	1.3
155.08559	1.7
157.10100	1.7
159.07999	1.8
159.11716	6.5
161.09587	2.4
161.13303	1.7
163.11232	3.3
167.39508	1.2
169.10182	1.4
171.11707	2.5
173.09679	1.9
173.13257	3.9
175.11238	3.0
179.14296	1.1
183.11690	2.2
191.14349	1.2
191.27652	1.3
197.13304	1.2
207.13792	2.6
216.11259	1.2
219.13795	1.5
223.05157	1.1
229.19664	2.2
233.18912	1.4
239.17957	4.0
247.20560	1.9
257.18994	10.2
275.20059	100.0
276.20425	5.5
293.21094	9.5
419.27725	42.5
419.33588	1.9
420.28015	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	419.17
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.5
55.01875	55.1
56.60704	1.3
65.03942	11.4
67.05494	4.2
69.03421	1.7
69.69570	2.8
69.69984	5.5
70.20634	1.4
78.04700	1.9
79.05495	9.1
82.04202	3.0
85.02906	3.9
89.03915	1.6
91.05473	7.9
93.03416	2.5
93.07047	2.2
95.04948	6.6
97.06521	3.0
98.20861	2.7
100.33707	1.3
103.05468	25.3
105.07046	13.6
106.04146	1.6
107.04964	11.0
108.02092	3.0
109.06554	1.6
110.03664	5.2
111.04442	1.9
115.05453	5.6
116.06231	1.8
117.03365	1.9
117.07004	3.4
118.04156	5.0
119.04925	2.4
121.06509	7.0
123.04416	7.8
124.05208	2.8
125.05982	3.4
129.07014	3.7
130.04132	1.8
131.04929	19.0
131.08521	3.4
133.02832	2.2
133.06487	12.4
134.03592	1.6
135.08081	1.8
138.03123	4.5
140.04707	2.8
141.07004	3.2
142.02565	1.9
143.04895	1.4
144.05719	6.2
145.02852	1.7
145.06487	4.5
146.03629	1.5
148.05188	13.2
149.05997	13.5
153.05470	4.1
155.07018	1.7
159.04408	2.3
159.08044	7.1
160.05205	1.9
161.05975	14.8
161.09602	1.5
163.03946	2.0
163.07555	15.0
167.07042	62.0
168.07388	2.3
171.06540	5.3
172.05168	2.3
173.06015	3.8
175.07516	2.0
176.04674	2.7
177.03893	1.8
177.05467	46.6
181.04955	100.0
182.05341	2.7
183.06535	5.6
187.07574	7.6
191.07034	83.3
192.07471	1.9
193.08611	7.6
197.07993	1.7
200.09741	1.3
204.07832	2.2
205.08607	12.3
207.10123	1.9
209.08093	83.1
210.08517	2.3
217.08609	3.0
218.09319	2.3
219.08226	2.4
219.10080	7.2
221.08121	4.5
231.08006	1.7
231.10234	1.8
235.09639	4.6
246.06790	1.6
247.07359	2.6
247.09691	9.0
249.11237	6.6
264.07919	2.0
265.10739	6.7
271.06427	1.5
279.09988	1.6
369.13293	6.1
383.14905	3.5
389.16006	2.2
395.69830	1.5
401.16010	11.3
419.16806	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	419.1698
Annotation	Comazaphilone F
Peak:m/z	Relative Intensity
53.03926	1.5
54.44115	1.3
55.01875	51.4
65.03928	8.3
67.05483	3.2
69.03423	1.5
69.42562	12.0
71.95740	1.6
79.05477	6.8
82.04203	3.7
82.46593	1.3
85.02890	7.0
89.37061	1.4
91.05489	8.4
92.73291	1.5
93.03371	2.3
93.07017	2.0
94.05582	1.5
95.04962	4.9
97.06525	2.8
102.53761	1.7
103.05470	25.2
105.07016	13.1
107.04966	12.8
110.03659	3.1
111.04456	1.5
115.05453	6.8
116.06200	2.6
117.07036	3.0
118.04146	5.9
119.04929	3.0
121.06519	4.8
123.04416	6.6
124.05180	1.7
125.05963	3.7
129.07010	3.4
130.03975	1.6
131.04944	20.1
131.08536	2.0
133.02837	2.0
133.06494	12.3
134.03606	2.3
138.03075	2.5
140.04700	1.9
144.05695	4.0
145.06487	5.0
148.05182	9.3
149.06000	14.6
153.05479	5.0
159.08044	5.3
161.05983	12.5
163.07553	18.0
167.07043	54.9
168.07314	2.0
171.06529	4.8
173.06017	3.2
175.07513	2.7
176.04628	1.8
177.05478	47.4
178.05858	1.8
181.04956	100.0
182.05341	1.8
183.06541	5.7
187.07518	5.3
190.06311	1.9
191.07030	79.2
192.07443	3.1
193.08585	7.3
205.06816	1.6
205.08519	7.7
209.08095	74.6
210.08444	1.6
219.08281	1.8
219.10167	6.3
220.48682	1.5
221.08022	2.2
235.09688	2.3
247.07478	1.9
247.09595	6.9
249.11200	5.4
265.10678	5.8
277.08612	1.6
309.87234	1.5
369.13187	5.7
389.15823	1.7
401.15961	9.6
419.16907	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	419.17
Annotation	Magnostellin B
Peak:m/z	Relative Intensity
55.01874	40.2
65.03924	8.3
67.05508	6.5
70.25142	6.4
70.25553	10.1
71.88988	2.7
76.11819	3.3
79.05482	10.3
81.03402	6.2
82.04185	3.2
85.02907	18.1
91.05476	10.4
95.04913	6.3
97.06503	4.9
97.16830	2.9
98.21400	3.6
103.05482	26.7
105.07037	19.9
106.06545	10.7
106.07187	3.6
107.04948	15.9
107.06788	4.0
107.07399	4.7
107.09859	2.5
110.03611	6.0
111.04478	3.4
115.05444	9.1
117.42445	2.6
118.04140	4.7
121.06489	5.5
123.04417	9.1
131.04945	20.3
131.08606	5.5
133.06470	14.0
137.06036	13.9
138.03027	3.9
144.05705	5.5
145.06499	7.0
147.08046	3.7
148.05180	11.0
149.05989	13.3
153.05444	6.0
159.08006	7.3
161.05963	13.2
163.07520	22.9
167.07039	75.5
171.06532	8.2
173.05988	8.8
175.07602	3.5
177.05486	42.0
181.04956	100.0
182.05322	7.2
183.06523	6.0
187.07468	7.2
190.06451	3.3
191.07018	97.6
193.08604	8.2
205.08566	10.8
209.08098	55.9
217.08653	7.3
219.08105	5.2
219.10124	6.5
221.07991	8.3
237.09924	20.8
238.10274	28.2
247.07425	4.5
247.09712	10.9
248.08394	3.6
249.09071	3.8
249.11249	15.2
253.34119	3.1
265.10892	4.8
269.07941	3.9
276.07809	5.6
277.08557	3.7
279.06650	3.4
279.10037	3.7
291.10266	3.2
307.09760	4.7
315.08612	12.9
330.11038	17.0
343.11639	3.2
351.12360	6.0
369.13293	11.7
383.15231	5.3
389.15811	5.2
401.15872	13.3
419.11133	3.8
419.18442	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	419.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01634	2.5
55.01873	29.1
58.62928	2.3
65.03939	9.7
67.05502	4.0
69.60522	8.8
69.60948	7.5
71.41535	2.2
76.73245	2.5
79.05475	7.3
81.03407	3.1
82.04220	3.2
85.02892	7.0
91.05495	12.8
93.06998	3.0
95.04960	6.7
97.06516	6.0
103.05468	22.4
105.07018	14.8
106.06577	2.3
107.04957	19.2
108.02095	2.7
115.05447	9.4
117.07037	5.4
117.90845	2.4
118.04122	6.0
119.04932	3.5
121.06480	8.1
123.04410	8.6
124.05219	3.9
125.06014	4.1
129.07004	4.8
131.04910	22.7
131.08601	3.8
133.06494	14.0
137.05960	11.9
138.03091	2.9
142.02618	3.1
144.05734	7.8
145.06445	4.5
147.04410	2.5
148.05197	15.0
149.05980	11.1
151.03882	4.4
152.04568	3.2
153.05498	4.7
156.05696	2.7
159.04494	2.5
159.08076	5.3
161.05986	12.6
163.07513	18.8
165.05547	2.8
166.43124	2.2
166.96394	2.4
167.07037	72.2
168.07402	6.9
169.07524	2.6
171.06596	3.7
173.05989	9.6
175.07504	3.3
176.04683	4.1
177.05472	37.6
180.07921	3.9
181.04959	100.0
181.08452	3.7
182.05341	6.8
183.06517	7.1
187.07497	7.8
190.06227	3.4
191.07022	89.6
192.07753	3.6
193.08627	7.6
205.08664	12.1
207.10275	3.1
209.08078	57.2
210.08803	2.9
217.08643	6.4
219.08110	3.8
219.10106	7.3
221.08154	4.4
222.44710	2.6
231.08022	3.7
235.09563	5.6
247.07549	2.9
247.09740	9.4
249.11209	15.5
252.11169	2.4
264.69830	2.6
265.10745	4.6
267.85898	2.3
269.08121	4.7
279.10251	2.6
293.08154	2.6
307.09796	5.7
315.08578	18.4
330.10983	18.0
339.12314	3.5
351.12350	4.4
369.13339	6.6
383.14893	5.4
401.16278	12.4
419.11420	5.3
419.18027	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1707
Annotation	 (1S,4R)-passicapsin
Peak:m/z	Relative Intensity
52.94688	2.7
55.01859	3.1
61.02917	3.1
62.06076	9.1
67.05485	5.8
69.03425	10.9
70.36910	3.0
70.37258	9.0
74.05730	2.6
74.06076	17.7
79.05488	9.0
80.04999	2.7
81.03431	5.4
81.07044	5.1
82.06577	9.7
83.04987	3.1
84.04507	7.8
85.02912	21.9
86.06116	3.0
86.09665	3.3
91.05482	8.7
93.03428	2.6
93.07056	13.2
94.06577	25.3
95.04975	11.3
95.08603	5.3
96.08100	3.0
97.02896	12.1
105.07036	6.3
107.04957	8.2
109.02882	4.0
109.04924	2.8
109.06517	7.5
112.07630	10.3
120.08083	5.7
121.06489	15.9
123.04434	6.6
124.07573	5.1
127.03926	40.2
127.42559	2.7
131.04918	5.3
138.05493	4.6
139.07504	3.5
140.07091	4.4
143.03441	3.9
145.04887	3.0
148.07568	6.8
149.05983	7.7
151.03876	4.0
151.07504	3.2
152.35315	2.7
165.05498	4.1
166.08655	7.8
167.07054	12.9
168.06573	5.1
176.07085	3.6
177.05481	4.2
179.07033	4.9
192.10175	5.8
194.08147	11.2
195.06541	11.4
202.08580	5.7
210.11287	10.2
220.09691	35.2
221.08037	5.9
222.11313	6.5
238.10741	100.0
238.17963	15.8
256.11746	26.4
256.18954	4.1
418.17038	26.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.3887
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.1
57.07080	6.2
58.06582	2.3
60.57963	0.6
67.05456	0.6
70.06589	18.3
71.08624	2.3
71.50748	0.6
72.08139	2.0
81.07058	1.1
83.08620	0.6
84.08131	1.4
86.09691	3.6
88.07629	4.7
91.05488	0.8
93.07018	0.9
102.09179	2.4
105.07028	0.9
109.10124	0.8
109.75242	0.5
119.08566	0.6
121.10153	0.7
132.10196	8.2
145.10097	0.6
146.11751	7.5
166.07968	0.5
184.07457	0.6
201.88667	0.6
260.24500	0.7
268.29953	2.0
294.31674	2.0
312.32611	8.3
313.32928	0.7
356.35205	37.9
357.35504	1.3
418.38898	100.0
419.38983	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	419.17
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	8.6
63.76459	8.7
71.51331	11.4
72.08162	8.7
79.05496	19.3
80.18861	7.0
81.03426	8.8
83.00163	7.5
84.85253	6.9
86.09711	9.4
91.05495	20.7
93.07042	7.9
95.04989	15.8
97.06545	9.3
103.05479	21.0
105.07040	58.1
107.04975	34.0
109.02902	7.7
115.05467	13.6
117.07037	11.1
120.08059	9.9
120.15591	7.0
123.04447	15.6
127.64837	7.1
131.04955	13.3
133.06496	62.0
135.04391	7.5
137.05960	12.2
147.04391	7.3
149.06030	15.0
159.08098	7.9
161.05988	61.7
165.05492	11.3
167.07037	95.3
168.07419	29.1
169.07555	11.3
173.05988	8.7
175.07559	8.7
177.05527	20.3
180.07869	8.8
181.04980	40.7
182.05301	12.9
191.07045	21.1
193.08612	100.0
205.00383	6.6
205.08614	15.1
208.05211	9.0
209.08125	21.7
248.08257	7.1
307.09827	10.7
315.08597	19.1
330.10907	31.0
419.16339	23.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.17
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.6
55.01870	49.9
55.16042	1.3
55.20248	1.3
65.03936	10.2
67.05482	5.3
67.05796	1.3
69.03398	1.8
69.07062	1.7
71.21445	1.9
77.03928	1.5
79.05497	10.3
82.04177	4.1
85.02903	7.5
89.03896	1.4
91.05482	6.5
93.03385	2.8
93.07056	3.1
95.04961	7.6
95.08603	1.6
97.06531	8.5
103.05460	20.6
105.04433	1.4
105.07037	15.6
106.04137	3.4
107.04945	16.1
109.06496	1.9
110.03656	3.3
111.04463	2.4
115.05448	9.7
117.06992	4.4
118.04143	4.1
119.04977	1.6
121.06474	5.8
123.04418	9.8
124.05183	4.0
125.06019	3.0
129.07007	2.9
130.04109	1.9
131.04922	15.2
131.08542	4.4
133.02798	1.6
133.06502	14.5
134.03603	1.8
135.04384	1.5
137.05943	4.2
138.03113	4.3
140.04669	1.9
141.06944	1.7
142.02605	3.9
144.05710	7.0
145.06479	6.3
147.04431	2.8
147.08154	1.5
148.05167	5.5
149.05992	13.6
151.03928	1.4
151.07513	1.5
152.04701	1.8
153.05432	5.0
155.07051	1.9
157.06514	1.9
159.04349	2.7
159.08072	7.6
161.05956	17.3
163.07552	13.6
165.05486	2.1
167.07025	74.5
168.07372	7.2
169.07664	3.4
171.06499	5.7
171.07915	1.7
173.05946	3.9
175.07558	2.4
177.05466	44.1
181.04942	100.0
181.08492	3.2
182.05283	4.0
183.06587	9.6
187.07500	9.2
189.05544	1.8
190.06218	2.0
191.07021	64.8
192.07498	2.8
193.08644	8.1
203.07014	2.3
205.08583	12.6
209.08072	89.1
215.07098	2.0
217.08614	4.1
218.07191	1.9
218.09241	2.5
219.08116	2.6
219.10045	8.4
221.08086	2.6
235.09583	3.1
237.05333	1.7
247.07399	2.4
247.09677	8.7
248.08252	2.3
249.11229	10.2
255.06529	4.9
256.06851	3.3
257.07111	9.1
264.07797	3.1
265.10828	6.7
276.07831	1.7
279.09958	1.9
293.07974	2.3
305.04321	1.9
307.09537	3.4
309.11383	1.6
323.05649	2.5
323.12738	2.0
330.10876	1.9
351.12054	2.9
366.46368	1.6
369.13568	7.5
370.13934	2.1
371.14691	2.1
383.14810	2.4
389.15665	5.4
401.15924	13.8
419.11292	9.1
419.16623	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	417.1543
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
53.03937	0.6
54.67464	0.4
57.64729	0.4
65.03941	3.1
67.05476	1.1
69.94983	1.1
69.95372	0.7
76.45340	0.4
78.04711	2.7
79.05498	3.3
82.04178	0.9
85.02893	2.3
91.05447	1.5
93.03391	0.8
95.04948	1.8
97.06510	0.8
103.05467	3.7
105.06990	0.7
106.04175	1.6
107.04948	6.5
108.02138	0.6
108.06584	0.4
110.03640	1.1
115.05458	3.1
117.07013	4.9
118.07259	0.5
123.00751	0.4
123.04421	7.5
124.05210	3.2
125.05987	1.4
127.05451	0.7
131.04926	2.8
133.06476	0.7
137.05984	1.1
138.03117	1.5
142.02632	1.1
145.06485	7.7
148.05190	1.4
148.44710	0.4
151.03915	1.5
152.04657	2.3
153.05450	1.0
155.05995	2.6
163.07524	2.1
167.07033	100.0
168.07349	2.6
171.06573	1.7
173.05997	14.2
174.06531	0.7
175.07639	0.5
181.04948	43.3
182.05289	1.0
191.07024	7.0
195.06508	1.6
201.05470	1.2
205.08585	3.7
213.51236	0.4
217.08813	0.5
221.08005	0.6
233.08086	6.5
235.09654	3.4
329.10281	0.5
371.14600	0.5
380.90854	0.4
381.13553	0.9
387.14398	11.5
387.19269	0.8
399.14429	1.1
417.15445	22.5
418.15543	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02394	0.4
53.03941	0.9
55.01861	0.7
64.47523	0.3
65.03935	3.5
66.04718	0.5
67.05480	0.7
69.03413	0.8
70.61838	0.7
70.62216	0.9
78.04705	1.9
79.05151	0.4
79.05495	4.1
81.07056	0.6
82.04190	1.3
82.86018	0.4
85.02905	1.4
91.05473	1.4
93.03393	0.7
95.04942	1.5
96.38904	0.5
97.06519	1.2
103.05453	4.3
105.03416	0.4
105.07039	0.5
106.04168	1.9
107.04963	6.1
108.02080	0.6
109.06490	0.5
110.03651	1.3
111.04394	0.5
115.05455	3.4
117.07008	4.5
123.03592	0.5
123.04424	7.1
124.05209	3.5
125.05998	1.1
127.05444	0.7
128.24632	0.4
131.04900	2.3
134.03641	0.7
135.04460	0.5
137.05925	1.0
138.03119	1.1
142.02602	1.2
143.04871	0.5
145.06488	8.0
147.04330	0.7
147.08008	0.6
148.05151	1.5
151.03908	1.3
152.04639	2.4
153.05490	0.7
155.06018	2.7
161.06015	0.6
163.07564	2.0
164.10683	0.4
167.07030	100.0
168.07361	1.7
171.06534	2.0
173.05984	15.4
174.06439	0.6
175.07494	0.5
176.04636	0.6
181.04947	43.9
182.05261	1.4
191.07030	7.2
195.06537	1.3
201.05418	0.7
205.08597	3.5
217.08682	0.5
233.08080	8.0
235.09624	3.3
271.06036	1.8
335.09161	0.5
347.57791	0.5
367.11841	0.7
381.13388	1.1
387.14389	10.5
399.14200	1.3
417.15411	21.2
418.15619	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.4
55.01868	1.8
57.03424	4.2
58.06604	37.0
61.02914	6.0
68.05042	1.8
69.03418	11.8
69.55141	11.7
70.06569	3.6
72.08138	3.0
79.05486	7.3
80.05039	1.9
81.03432	8.4
81.07007	1.9
85.02898	23.5
87.04429	2.3
88.90500	2.0
91.05465	6.9
93.07039	6.2
94.06535	1.8
95.04946	6.4
96.04494	2.1
96.08099	4.1
97.02892	13.4
103.05452	4.1
105.07008	3.1
107.04955	24.9
109.02854	4.7
109.06517	2.1
114.05520	16.4
119.04934	2.3
119.33988	1.8
120.08130	1.8
121.06500	5.1
122.05966	2.5
123.04431	3.9
124.07561	5.9
125.02361	13.0
125.05959	3.2
127.03922	4.7
129.06969	2.2
131.04926	3.0
131.08588	3.3
132.08061	2.5
133.06485	6.5
135.04463	1.9
137.05971	13.1
138.06732	6.7
140.43527	2.4
145.04935	4.3
146.09616	3.2
147.04402	3.6
147.08090	2.3
148.07587	5.2
149.05963	8.1
150.05504	5.5
150.09134	3.2
151.03937	8.8
151.07523	2.8
160.32002	1.7
163.03938	3.5
165.05371	1.8
168.06557	2.0
174.09142	6.7
175.03931	3.1
175.07568	2.5
176.07077	3.6
176.10738	2.6
177.05434	5.3
177.09131	4.6
179.07007	2.2
181.08537	2.6
182.09392	9.9
192.10106	5.7
194.08136	3.6
194.11752	6.9
195.06490	5.7
202.08676	8.8
203.07045	10.1
206.10207	4.9
210.11264	1.9
212.12787	5.1
213.07590	3.0
220.06042	3.6
220.09656	15.1
221.08084	8.0
238.10735	76.6
239.09079	2.7
256.11798	100.0
304.93097	1.8
340.15204	2.0
400.15997	2.7
418.17087	34.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1707
Annotation	 (1S,4R)-passicapsin
Peak:m/z	Relative Intensity
55.11783	2.5
55.32288	2.3
56.05016	2.8
57.03430	3.6
58.06604	32.2
67.17053	2.7
69.03426	9.2
69.11295	2.4
73.02870	2.9
79.05494	4.7
81.03397	3.3
81.07049	3.8
82.28220	2.7
85.02914	16.4
91.05487	7.1
93.07028	4.0
97.02900	11.2
103.05465	3.3
107.04974	19.4
109.02850	3.9
114.05556	15.9
116.69724	3.2
117.05428	3.3
121.06525	3.9
124.07531	4.0
125.02357	8.9
127.03899	5.8
129.07008	3.8
137.05975	7.1
138.06761	9.3
143.13562	3.1
146.09688	4.0
148.07500	4.8
149.05930	4.9
150.05476	4.2
151.03874	7.5
174.09087	6.3
177.05440	4.2
177.09143	3.4
182.09424	15.5
192.10190	5.9
194.11714	3.4
195.06561	5.5
202.08585	4.5
203.07014	6.2
206.12921	3.3
213.07591	3.6
220.09738	15.2
221.08156	4.1
238.07130	3.6
238.10748	68.1
256.11819	100.0
272.80371	2.8
275.12524	2.9
418.17087	39.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1544
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
53.03931	0.6
55.01858	0.6
65.03928	2.3
67.05485	1.2
69.03408	0.4
69.38784	0.8
69.39189	2.1
70.77878	0.3
78.04706	2.4
79.05496	2.1
81.03419	0.8
82.04176	1.2
85.02903	1.7
91.05502	1.7
93.03396	1.0
95.04955	1.3
96.05788	0.4
97.06510	0.9
102.04664	0.4
103.05472	5.5
105.03408	0.5
105.07009	0.9
106.04168	1.4
107.04972	4.0
109.06551	0.4
110.03637	1.0
111.04437	0.7
115.05473	3.2
117.07020	4.9
118.04158	1.3
119.04961	0.3
120.02110	0.4
122.03629	0.4
123.04426	6.8
124.05252	2.4
125.06030	0.6
127.05441	0.8
128.06133	0.5
130.04073	0.5
131.04929	3.6
131.08638	0.4
133.02859	0.5
133.06458	1.1
134.03604	0.6
137.06001	1.1
138.03149	0.8
138.53177	0.3
142.02565	0.6
145.05420	0.6
145.06487	8.6
146.06868	0.4
147.08017	0.5
148.05205	2.2
151.03877	1.1
152.04665	2.2
153.05467	0.8
155.06018	2.8
163.07536	4.0
167.07031	100.0
168.04356	0.3
168.07382	2.2
169.38570	0.4
171.06538	1.3
173.05980	15.0
174.06335	0.4
175.07544	0.5
176.04700	0.6
179.07005	0.4
181.04951	37.4
182.05287	1.3
187.07608	0.5
191.07037	13.5
193.08485	0.7
195.06459	0.9
201.05507	0.7
205.08595	3.7
207.10228	0.4
217.08629	0.6
219.06203	0.4
219.10143	0.9
233.08061	8.7
234.08488	0.4
235.09668	3.4
295.09927	0.4
307.09558	0.5
325.10620	0.4
329.10376	0.9
357.13574	0.5
366.57755	0.3
367.11676	0.5
369.13107	0.4
381.13516	0.6
385.12897	0.6
387.14337	13.3
388.14621	0.5
399.14282	1.0
400.31094	0.4
402.12784	0.5
417.15439	28.6
418.15878	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	417.139
Annotation	Alpinoside
Peak:m/z	Relative Intensity
53.03938	9.9
55.01862	5.6
61.77939	2.9
65.03925	7.2
67.05495	7.0
68.20822	2.6
69.03415	9.2
69.23668	29.4
70.06582	6.1
72.08154	3.7
79.05488	9.5
81.03426	5.2
81.07050	3.8
85.02892	12.1
85.36376	2.8
86.09692	9.7
90.40393	2.7
91.05485	13.4
93.03404	7.0
93.07032	10.4
95.04962	100.0
96.05310	3.9
97.02885	7.1
97.06477	3.7
103.05484	8.2
105.07022	10.8
107.04942	39.9
107.08562	5.2
109.02888	4.3
109.06513	6.0
111.04440	5.8
115.05468	9.7
117.07022	19.9
119.08558	5.4
121.02855	26.1
121.06482	15.4
123.04417	51.9
125.02363	12.3
127.03878	4.3
128.06215	4.3
129.07022	13.3
131.04912	10.5
133.02873	5.7
133.06532	3.7
135.04390	4.8
135.08017	7.7
137.05923	3.5
139.03844	13.4
145.06468	25.4
147.04366	4.9
147.08000	6.5
149.02365	7.4
149.05975	14.5
151.03900	58.3
153.05452	4.6
159.04431	4.8
163.07521	20.5
165.09201	2.8
167.03397	29.9
167.07028	47.0
169.04970	6.1
173.05966	22.9
175.03856	7.8
175.07498	7.9
177.05475	9.5
181.04942	12.3
185.04442	98.1
191.07031	33.7
191.82085	3.2
193.08641	5.8
195.06519	2.8
201.05453	9.1
219.06468	22.8
233.08125	6.0
237.07532	28.1
238.10640	4.0
255.08643	92.2
256.09326	3.5
290.61517	3.1
387.14240	5.4
417.15866	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.1373
Annotation	Xylostosidine
Peak:m/z	Relative Intensity
53.03952	0.4
55.01871	0.4
56.05033	0.3
57.03443	0.2
61.01146	4.5
61.02922	0.5
64.37173	0.2
67.05521	0.3
69.03427	2.6
71.04988	0.6
78.03801	0.3
79.05482	1.1
80.05009	0.3
81.03414	0.8
81.07040	0.3
83.04991	0.2
85.02905	3.0
87.02702	0.6
88.02213	78.3
89.02582	0.3
89.91128	0.2
91.03947	0.3
91.05494	0.7
93.07047	0.9
95.04956	0.9
96.04493	2.3
97.02888	11.7
98.20737	0.6
102.03754	0.4
103.05463	0.5
105.07031	0.6
106.06576	1.2
107.04951	0.8
108.04435	0.6
109.02831	0.3
114.03724	0.3
120.08116	0.2
121.06500	1.1
122.02402	0.4
122.06067	0.2
123.04461	0.5
124.03949	55.7
125.04234	0.5
126.04601	0.2
126.05521	5.0
127.03872	0.2
130.06526	0.4
133.02872	0.3
133.06451	0.5
135.04425	0.4
138.09111	0.3
140.03452	1.1
148.07567	1.9
149.05983	3.0
150.05531	0.2
151.03909	1.6
152.07050	0.8
156.04744	1.0
158.05949	0.4
166.03195	0.3
166.06857	1.4
166.08760	0.2
167.07111	0.4
168.04762	0.3
176.07088	2.4
180.10263	0.2
184.04271	100.0
185.04657	1.7
186.05853	5.7
190.06824	0.3
194.08183	1.0
208.07979	0.5
210.09436	0.4
220.09641	0.7
226.08844	0.5
229.52850	0.3
236.07411	3.7
254.08446	97.9
255.08774	3.0
398.12616	0.7
416.13739	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	416.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	8.4
55.01860	9.0
56.05018	7.5
58.06586	8.0
59.80504	5.5
61.02916	9.5
65.03927	5.0
68.05034	11.5
69.03436	33.1
69.23558	16.1
69.23974	38.6
72.04482	7.0
72.50586	4.7
73.56522	4.7
79.05491	25.4
81.03407	30.1
81.07054	12.1
82.06588	5.6
84.04511	7.1
84.08156	5.5
85.02897	31.8
91.05481	43.5
93.07047	11.1
94.06575	21.9
95.01330	9.8
95.04964	18.8
96.04478	8.0
96.08080	5.5
97.02879	25.6
98.06040	9.6
98.21490	9.0
103.05465	14.9
107.04973	39.9
109.06467	5.7
110.06020	13.3
111.04469	6.0
112.07610	14.9
113.02347	6.4
114.05514	9.5
117.07032	8.0
119.04949	12.6
120.08094	8.9
121.06481	10.8
122.06014	12.7
123.04450	11.2
124.03934	20.3
125.02358	43.8
126.05498	12.9
127.04013	5.2
131.04909	12.0
132.08052	4.7
133.06517	6.0
134.09683	6.8
138.05499	10.9
140.07034	7.6
144.08078	8.9
146.05983	6.2
147.04425	48.7
148.07536	16.2
149.05981	17.4
150.05551	10.9
151.03889	52.9
153.01007	6.3
153.05484	29.3
156.85654	5.3
159.04358	6.6
162.09201	5.9
164.07008	8.9
165.05463	54.4
166.08626	7.9
172.07599	12.5
175.03920	15.9
176.07065	9.7
177.05537	16.3
178.08673	5.3
179.03430	6.8
186.07629	8.8
190.08646	10.6
192.06560	16.2
192.10184	9.1
193.04951	79.1
194.08179	9.9
195.06519	15.1
204.08690	50.2
210.07611	8.5
210.11359	6.9
211.06003	5.8
218.08127	18.7
236.09184	100.0
254.10223	86.1
273.22308	5.0
416.15506	87.5
434.92996	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3205
Annotation	Griffinisterone F
Peak:m/z	Relative Intensity
51.59565	2.8
53.03935	4.3
55.01867	6.6
55.05511	43.3
57.07081	7.5
67.05505	29.3
69.07069	19.7
71.37067	6.7
79.05495	19.8
81.07054	32.6
83.04986	4.3
83.08617	39.2
83.66478	3.1
85.06514	3.7
89.06082	2.9
91.05461	25.0
93.07041	25.6
95.04964	3.6
95.08603	27.3
97.06548	7.5
97.10170	4.4
97.21253	2.6
105.07036	28.3
107.04961	4.1
107.08579	14.6
109.06532	5.9
109.10171	10.8
111.08057	6.5
113.09649	5.7
117.07023	15.9
119.08565	31.5
121.06557	4.1
121.10143	7.3
123.08028	4.3
123.11715	2.9
129.07034	12.7
131.08562	18.8
133.06503	8.2
133.10149	12.7
135.08076	4.2
135.11687	6.7
141.07047	2.8
142.07761	3.2
143.08569	11.0
145.10104	14.1
147.08081	6.2
147.11690	10.4
155.08530	6.3
157.10121	14.6
159.11722	11.8
160.89661	2.9
161.09619	4.1
161.13307	7.9
163.11232	4.2
169.10153	5.4
171.11732	9.5
173.09697	3.6
173.13351	8.7
175.11205	4.9
175.14778	5.5
178.31987	3.0
183.11755	7.6
184.07396	2.7
185.13324	6.5
187.14908	3.4
189.12756	3.5
199.14819	5.0
203.14325	3.4
213.16447	4.3
229.15736	3.2
269.22937	3.1
271.20776	3.3
285.22226	10.5
287.20486	4.7
287.23642	25.0
289.21661	7.8
291.23206	6.5
315.23227	4.0
326.22583	3.2
329.24805	6.3
341.24664	3.1
379.29840	5.4
397.30963	56.3
397.35812	3.9
415.32166	100.0
415.37482	5.5
416.32678	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	413.305
Annotation	Topsentisterol A3
Peak:m/z	Relative Intensity
52.74419	4.3
55.01870	10.5
55.05513	56.2
57.07065	4.5
67.05503	41.7
69.03420	8.7
69.07063	25.7
69.18169	10.0
69.18507	59.9
71.04977	5.3
79.05478	21.5
81.07060	40.2
83.04976	6.9
83.08617	52.7
85.07863	4.7
90.28043	4.5
91.05471	30.9
93.07022	21.6
95.08613	61.9
95.85655	4.9
105.07018	21.4
105.13844	4.7
107.04974	9.4
107.08572	17.3
109.06505	6.4
109.10159	8.1
111.08041	6.2
112.55344	4.8
117.06998	21.4
119.08568	19.0
121.10146	13.6
128.06302	6.4
129.06973	17.2
131.08565	28.3
133.10104	13.3
135.08110	6.1
141.07071	6.5
143.08522	20.4
145.06448	14.4
145.10136	32.1
147.08046	6.1
147.11664	10.5
155.08524	11.7
156.80759	6.0
157.10092	13.5
159.08011	15.0
159.11662	21.5
161.13187	7.5
169.10083	7.1
171.08011	5.5
171.11670	14.4
173.09637	11.5
173.13254	11.8
183.11693	10.6
185.09595	9.7
185.13353	5.6
187.11176	10.0
187.14810	5.0
197.13228	7.5
199.14790	7.6
201.12741	10.0
211.14854	7.5
225.16463	7.3
285.22055	20.4
287.20001	7.5
289.21539	7.2
338.30783	4.7
367.29672	5.7
395.03342	8.5
395.29468	46.3
413.30490	100.0
414.30765	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	415.1001
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	26.4
59.43700	3.5
68.67249	4.6
68.90070	4.6
69.03426	10.1
69.64301	12.9
69.64732	13.8
73.02882	5.6
79.21490	3.5
81.03410	4.4
84.96017	5.3
85.02895	22.4
97.02871	12.0
98.21487	7.4
98.96941	6.8
98.97575	100.0
99.04413	3.8
109.26907	3.9
110.97565	19.1
112.99115	5.0
116.98608	42.5
118.18891	4.0
127.03905	4.5
128.98595	31.1
131.00185	9.2
134.99634	15.6
137.05884	4.3
140.98631	3.9
143.00168	6.2
145.04901	6.7
146.99652	13.1
153.05467	5.3
158.99713	4.9
171.22105	4.6
179.06938	4.6
189.00751	6.7
189.06142	3.8
208.04962	5.0
211.00870	4.1
219.01776	36.8
221.04999	5.3
226.01482	4.5
232.96451	6.6
235.02745	11.3
236.76347	4.5
237.02800	82.0
241.03810	16.8
243.01891	4.8
244.02495	4.3
253.03851	14.2
255.03879	5.9
256.96402	5.1
259.04861	8.0
271.04892	11.4
274.97507	45.4
292.98502	35.2
312.09222	5.1
337.05991	7.1
355.07047	6.3
367.07278	8.5
415.09656	81.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.0999
Annotation	Unknow
Peak:m/z	Relative Intensity
60.33833	3.9
70.11871	9.3
70.12259	11.1
78.87491	5.2
97.08157	5.0
98.20812	4.4
123.08376	4.3
126.49257	4.4
186.33876	5.6
207.28880	4.0
247.94980	4.6
415.09995	100.0
416.10175	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	413.1419
Annotation	Dracunculifoside J
Peak:m/z	Relative Intensity
69.03420	0.8
70.06580	1.1
71.33913	0.4
71.50414	0.6
79.05446	0.4
81.07031	0.5
84.08117	0.5
85.02899	1.0
89.43168	0.4
95.04972	0.5
97.02911	0.5
107.04920	0.6
119.08578	0.8
119.20400	0.4
121.10084	0.4
124.61119	0.4
127.03872	0.7
135.08167	0.4
137.05962	0.4
151.03847	0.6
159.08072	0.5
164.06946	0.5
165.02962	0.4
165.05466	0.6
177.05409	0.3
182.02599	0.6
205.05034	1.1
215.14276	0.4
233.15221	0.7
251.05551	6.3
251.08275	0.7
413.14166	100.0
414.14581	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	2.1
55.05510	7.8
56.05040	2.7
56.96567	5.0
57.03435	4.9
57.11375	1.9
61.02933	3.0
61.59404	2.2
65.03933	2.6
67.05505	3.5
69.03423	9.5
70.06582	6.5
71.50616	2.4
72.25899	2.3
72.86835	1.9
73.02921	6.8
74.06075	3.2
78.09178	1.8
79.05503	3.0
81.03435	4.0
83.05001	11.2
83.08618	21.6
84.04499	7.1
84.08127	3.9
85.02900	15.1
86.09709	2.7
89.03886	1.9
93.03410	2.4
95.04987	6.8
97.02885	7.5
98.97602	4.9
101.09661	18.4
101.91048	2.1
107.04933	5.1
109.01337	2.3
109.02871	4.1
109.06501	3.4
110.03208	2.0
111.04433	12.9
112.03938	2.4
113.75317	1.9
115.03951	5.1
119.10694	6.2
120.06581	9.2
121.02868	2.7
122.06079	2.2
123.04430	9.2
125.02365	3.1
127.03918	4.1
129.05469	4.1
130.06526	2.7
131.04979	2.2
133.02829	3.2
134.99626	2.3
135.04388	4.8
136.06181	100.0
137.04584	3.7
139.03905	5.3
145.04897	2.1
147.04353	2.9
148.07564	5.8
149.06030	3.4
150.05478	10.9
151.03894	7.0
151.05823	10.0
157.04938	5.4
158.05981	3.8
161.05948	3.1
162.04129	57.1
162.05399	4.9
163.03891	15.5
164.07037	6.4
165.05515	4.4
165.07822	3.6
176.07108	8.8
177.05443	5.1
178.04988	2.6
178.08556	3.4
179.03389	5.0
179.05368	2.8
182.08101	2.8
185.04341	2.8
185.43930	2.2
186.05495	7.2
187.03851	2.7
193.05035	3.4
193.06799	3.5
194.08188	4.8
196.09802	2.7
202.04942	2.0
203.03523	2.6
203.05469	2.8
204.06575	14.1
205.04967	4.0
220.06042	7.0
221.04398	3.9
221.06453	8.2
222.07669	12.9
223.06059	2.2
225.09177	2.4
226.07858	7.2
237.02899	4.0
239.07686	2.7
251.05344	14.9
253.33443	2.3
281.09900	46.0
282.10458	2.5
311.04425	2.3
319.10611	3.3
320.35474	2.0
353.08496	2.8
369.11768	2.5
396.12952	8.7
413.09540	12.8
414.13885	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	412.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35387	0.3
53.03939	1.3
57.07076	27.6
66.60574	0.4
69.03430	4.3
70.00701	1.9
70.06593	0.6
71.04974	0.6
80.05024	2.9
81.03425	6.1
85.02914	3.4
85.06544	25.0
96.04492	1.9
97.02892	16.6
98.20816	0.5
99.04452	1.5
100.02169	0.6
109.02890	5.6
123.04485	0.4
124.03953	100.0
125.04287	1.4
127.03911	10.5
135.15988	0.5
145.04936	0.5
146.05989	0.5
151.03908	0.6
151.09715	0.5
158.75659	0.4
164.54018	0.4
165.05623	0.5
169.04984	0.6
180.01195	1.1
187.06004	5.3
229.10655	4.0
236.09210	0.9
237.09563	1.4
250.05305	2.5
260.46634	0.4
271.11816	0.7
289.12894	0.5
396.14450	0.6
412.21033	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	412.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	2.0
56.13592	0.7
57.07076	29.0
61.27307	0.7
64.36462	0.7
67.11313	0.7
69.07066	4.7
71.08630	48.6
71.35747	1.0
72.08982	1.0
72.13136	0.7
73.06556	6.7
79.05460	1.0
81.07079	0.9
87.04482	2.0
89.06030	100.0
90.06371	1.0
90.81612	0.7
91.05489	0.8
97.06532	0.7
107.07063	3.5
111.11718	1.0
113.13274	4.0
117.09135	2.9
130.08656	1.8
133.08598	41.1
138.05647	0.7
139.03896	2.8
151.09682	1.0
157.15892	7.6
177.11220	15.3
195.12346	2.7
198.18622	1.2
201.18507	14.7
221.13922	2.0
239.14902	1.5
245.21075	4.4
283.17554	11.0
351.27536	2.3
393.84509	0.7
395.16071	0.8
395.30035	19.9
396.14514	1.7
428.41611	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1415
Annotation	t(6)a
Peak:m/z	Relative Intensity
56.05035	0.7
59.19629	0.3
69.03426	0.6
69.77895	0.9
69.78307	0.9
70.06564	0.4
74.06074	1.8
83.04961	0.5
83.08610	0.4
84.04483	0.7
84.53053	0.4
85.02890	1.5
93.06993	0.4
98.21497	0.7
102.05517	1.2
112.11246	0.3
119.01978	0.3
119.03532	3.1
120.06567	9.1
123.04430	0.6
126.05590	0.3
129.05400	0.4
135.04388	0.4
136.06177	100.0
137.04596	2.3
137.05540	0.4
137.06586	0.4
146.06000	0.6
146.07153	0.3
150.05515	0.5
162.04105	58.0
163.03893	1.0
164.07120	0.4
178.08577	0.6
179.05376	0.4
196.09717	1.3
203.83757	0.4
220.06053	0.4
221.06357	0.7
230.28899	0.4
233.94702	0.3
238.19875	0.3
251.05490	0.8
268.10373	0.9
281.09909	47.1
282.10220	0.9
305.52228	0.4
351.22906	0.6
413.15521	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1261
Annotation	Unknow
Peak:m/z	Relative Intensity
65.20297	0.6
70.98105	1.1
72.34868	0.6
82.76469	0.6
83.08569	0.6
85.02888	0.6
102.03830	0.6
113.97240	0.6
144.60419	0.6
179.03125	7.2
185.04199	1.1
205.83311	0.6
211.80284	0.6
217.04724	1.6
249.07353	21.3
255.08394	14.6
330.56140	0.6
349.14813	0.6
411.12610	100.0
412.12842	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	412.16
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.3
56.05029	0.5
57.06802	0.8
57.07078	14.4
59.45658	0.6
61.96846	0.5
69.03404	1.6
69.17849	1.3
69.18262	5.2
80.05007	1.9
81.03404	2.1
85.02894	0.6
85.06544	12.6
86.09703	2.2
86.31896	0.6
87.08558	0.5
95.05000	0.8
96.04475	2.1
97.02892	18.7
99.04456	1.1
101.91779	0.5
103.07600	1.2
108.20979	0.5
109.02847	4.5
124.03951	100.0
125.00040	1.0
125.04324	0.9
127.03924	7.4
145.05003	0.9
151.03952	0.6
157.59117	0.5
174.76865	0.5
178.50314	0.6
184.07373	5.7
187.04559	0.6
187.06050	2.3
229.10684	3.8
260.06870	0.5
351.33456	0.6
359.86133	0.5
412.12915	1.2
412.21509	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3827
Annotation	4,4'-Diapophytoene
Peak:m/z	Relative Intensity
55.05503	19.2
57.07078	9.8
67.05501	28.5
69.07066	57.5
70.55888	8.8
70.56255	8.7
79.05493	13.5
81.07052	100.0
83.08624	23.5
85.44964	3.8
91.05487	12.6
93.07024	36.6
93.45135	4.5
95.08609	82.9
97.10130	7.5
98.21426	5.0
105.07027	24.1
107.08592	35.4
109.10140	42.1
119.08581	31.7
121.10143	36.6
123.11723	24.9
131.08589	10.2
133.10097	26.3
135.11693	16.5
137.13245	19.5
145.10178	12.4
147.11687	13.5
149.13257	21.2
159.11710	16.7
161.13251	22.0
163.14827	9.7
173.13269	19.9
175.14847	11.0
177.16412	12.5
187.14819	9.9
189.16362	16.3
191.18013	8.3
201.16393	6.0
203.17973	10.2
215.17970	13.6
217.19579	10.0
229.19586	20.4
251.60507	4.9
259.24527	6.1
299.27481	4.8
327.30429	8.3
409.38306	82.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1051
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77794	53.4
60.71312	60.4
70.06580	100.0
71.50007	74.0
71.50359	46.1
96.22408	63.7
215.13959	68.7
237.02916	56.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3464
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75010	1.9
55.05500	13.1
57.07057	4.3
67.05509	31.3
69.03429	2.4
69.07071	20.4
69.39509	12.7
69.39930	7.0
79.05485	23.2
81.07055	51.8
81.07532	2.8
82.06571	3.1
83.08606	5.8
91.05463	19.3
92.30143	2.3
93.07045	46.3
93.07626	2.4
94.06558	4.3
95.04967	8.1
95.08605	100.0
97.10186	5.7
105.07026	62.7
107.08591	65.4
109.06501	3.7
109.10157	35.6
111.08089	8.9
117.07011	6.9
119.08578	50.4
120.08102	2.6
121.10133	36.3
122.86032	2.3
123.08063	3.8
123.11681	11.2
126.42224	2.1
129.06950	4.3
131.08559	14.3
133.10127	32.6
135.08057	3.2
135.11673	24.8
137.13287	5.9
138.09119	3.6
142.07793	4.3
143.08563	9.7
145.10110	29.6
147.07945	2.2
147.11702	34.5
149.13272	36.2
155.08557	2.9
157.10127	8.7
159.11710	18.3
161.13274	18.6
163.14799	20.3
165.09074	3.8
171.11713	8.6
173.13223	14.2
175.14798	23.2
177.16412	18.5
183.11641	5.0
184.07339	2.5
185.13246	5.5
187.14827	28.7
189.16396	20.8
191.17955	7.2
197.13327	4.1
199.14772	8.8
201.16368	10.8
203.14297	3.4
203.17943	26.2
205.15868	8.0
205.19577	2.7
211.14706	2.9
213.16383	14.6
215.17992	6.2
217.16010	2.5
217.19536	4.8
221.15446	8.2
227.18030	3.2
229.19437	5.3
231.21124	3.8
233.19196	2.7
241.19516	6.5
243.21042	5.2
255.21008	10.2
267.21210	3.6
269.22617	4.3
281.22647	2.4
285.25821	2.4
313.25272	5.8
339.26569	3.5
351.30502	8.1
391.33469	4.7
409.26895	3.4
409.34616	50.0
410.35046	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	409.3826
Annotation	4,4'-Diapophytoene
Peak:m/z	Relative Intensity
53.88281	3.4
55.05513	20.9
57.02263	4.0
57.07055	11.4
60.68710	3.6
62.66585	3.4
64.37623	4.2
67.05490	20.4
69.07060	66.5
71.08613	5.3
71.41531	8.5
79.05463	16.3
81.07052	92.2
83.08613	24.5
91.05463	17.9
93.07034	32.3
95.08606	78.0
97.10147	12.1
97.62199	3.9
105.07024	27.5
107.08579	47.6
109.10154	60.1
119.08558	33.0
121.10138	37.8
123.11710	31.2
127.03883	3.6
131.08562	13.6
133.10100	29.4
135.11658	28.3
137.13240	13.9
145.10098	14.7
147.11664	21.8
149.13257	24.2
151.14842	5.7
157.10078	4.6
159.11691	22.7
161.13203	21.3
163.14810	13.6
171.11745	6.4
173.13252	20.1
175.14792	16.2
177.16487	7.9
187.14784	15.0
189.16359	12.9
191.17905	5.0
199.14862	3.9
201.16299	10.8
203.15305	4.0
203.17877	13.1
213.16423	4.4
215.18040	7.8
229.19453	10.4
231.21063	9.5
241.19453	4.8
243.21005	5.3
257.22617	5.2
285.25647	6.0
299.27228	4.6
327.30524	5.3
341.85846	4.0
353.31876	4.4
354.53586	4.3
409.38303	100.0
410.38663	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	409.2735
Annotation	10'-Apoviolaxanthal
Peak:m/z	Relative Intensity
53.03937	4.2
55.01888	1.8
55.05507	16.2
57.07066	6.5
58.89902	1.6
59.04988	3.8
63.26819	1.8
65.03931	4.1
67.01509	1.6
67.05515	15.4
69.03413	7.1
69.07056	5.5
71.04982	1.6
71.42691	2.1
72.39233	1.5
74.91777	1.6
75.71954	1.7
77.03906	2.2
79.05493	19.2
81.03395	2.3
81.07054	27.3
83.04977	5.2
85.06542	4.0
91.05473	41.4
93.07040	46.8
95.04964	50.9
95.08604	27.2
97.06528	7.0
103.05460	3.0
105.07028	100.0
107.08591	27.1
109.06509	13.9
109.10165	7.1
111.08067	2.6
115.05464	3.2
117.07013	11.0
119.04941	3.0
119.08575	61.6
120.09354	1.6
121.06509	15.8
121.10121	17.6
123.08070	15.5
128.06213	3.4
129.06998	6.9
130.07773	4.4
131.08548	20.3
133.06529	5.1
133.10106	16.2
135.08043	14.9
135.11670	3.1
137.09593	11.1
141.07004	4.5
142.07764	10.9
143.08580	15.5
145.06432	2.8
145.10123	36.3
147.08064	18.7
147.11691	39.3
148.08781	2.7
149.09572	9.3
151.07558	20.8
153.07021	1.8
153.09105	2.2
155.08562	8.0
156.09326	5.2
157.10103	20.2
159.08038	4.9
159.11659	14.0
161.09613	8.2
161.13205	3.2
163.11186	5.2
165.09106	35.6
167.08591	3.3
168.09315	5.4
169.10173	10.5
170.10869	3.5
171.11697	8.9
173.09631	6.8
173.13257	6.4
175.11189	31.2
175.14734	2.0
177.09097	3.9
178.09846	2.7
179.08641	2.2
181.10101	2.9
183.11679	12.1
185.09583	3.0
185.13281	3.8
187.11185	6.0
189.12778	7.6
194.10880	2.6
195.11632	3.6
196.12502	3.2
197.13263	3.5
199.11163	3.4
199.14760	4.2
201.12712	8.2
201.16376	2.1
203.14325	17.7
207.13803	8.9
209.13310	4.3
209.15283	3.2
211.14809	7.3
213.12790	3.0
215.14349	4.2
219.13834	7.2
221.13191	3.6
221.15349	75.8
222.15776	3.0
229.15855	5.3
231.13834	3.6
233.15358	3.6
234.16135	19.9
253.15834	2.7
259.54443	1.8
286.19351	3.3
287.20026	7.8
300.20758	3.8
325.90189	1.7
329.21112	4.9
391.26285	6.2
409.27332	42.7
410.27505	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	409.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	5.0
55.01855	3.8
55.05516	15.6
57.07069	7.8
67.05508	27.0
69.03419	8.1
69.07060	8.7
70.76686	4.6
70.77004	4.3
71.04987	4.4
79.05493	27.5
81.03442	3.2
81.07047	36.0
83.04970	7.2
91.05479	43.1
93.07040	45.4
95.04961	50.8
95.08600	34.3
97.06521	11.3
97.10166	3.3
105.07025	100.0
107.08583	21.1
109.06521	14.6
109.10138	16.4
110.81881	2.8
113.59338	2.3
117.07016	12.9
119.08575	62.3
121.06511	23.0
121.10119	19.1
121.27910	2.7
123.08067	21.1
128.06219	4.6
129.07014	7.7
131.08571	25.1
133.06491	4.9
133.10120	20.6
135.08051	16.5
135.11678	6.4
137.09610	9.1
141.06956	4.9
142.07780	12.7
143.08537	16.5
144.09360	4.4
145.10107	45.0
146.07277	3.2
147.08046	20.7
147.11684	43.9
149.09636	11.3
151.07547	31.3
155.08557	11.8
156.09386	6.0
157.10133	23.2
159.08041	6.3
159.11702	17.5
161.09615	10.3
161.13348	5.7
163.11179	7.4
165.09109	35.8
165.10378	4.3
168.09309	6.8
169.10088	15.8
171.11734	11.2
173.09608	4.8
173.13235	9.1
175.11165	27.0
177.09129	4.6
180.09425	3.1
181.10104	4.9
181.12158	3.3
183.11717	16.3
185.13171	6.2
187.11140	5.0
187.14745	3.7
189.12762	10.3
193.10263	3.8
195.11714	5.8
196.12633	4.0
197.13257	7.7
199.11131	4.2
201.12738	8.1
203.14297	18.7
207.13820	9.2
209.13248	3.8
209.15456	3.1
211.14853	6.1
211.42711	2.8
215.14319	3.8
219.13881	4.0
220.12386	2.8
221.13222	3.9
221.15335	69.5
222.15582	4.8
229.15892	7.3
233.15321	5.9
234.16104	15.6
247.14995	4.5
253.15950	3.5
287.20071	10.7
317.21255	4.2
329.21097	8.4
331.14401	3.1
391.26242	10.6
409.27292	63.6
409.32468	4.5
410.27692	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	409.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.2
55.01873	3.0
55.05513	18.9
57.03445	2.1
57.07068	5.5
59.04989	3.3
63.98473	1.6
65.03925	2.1
66.92020	1.4
67.05498	21.8
69.03420	7.2
69.07047	6.8
69.28522	12.5
69.28925	3.2
79.05482	19.6
81.03407	1.9
81.07054	27.1
83.04994	4.2
85.06556	2.4
91.05472	35.7
93.07040	42.1
94.07327	2.0
94.21196	1.7
95.04378	3.2
95.04962	50.7
95.08595	21.2
97.06511	9.1
97.10179	1.8
98.20753	2.8
98.98463	3.8
103.05450	4.6
105.07023	100.0
106.07272	2.2
107.08583	22.1
109.06516	13.9
109.10147	8.1
111.08060	3.0
115.05482	2.2
117.07026	12.0
119.04932	3.9
119.08577	65.0
121.06487	17.5
121.10149	15.8
123.08067	14.7
128.06172	3.9
129.06976	6.4
130.07774	5.3
131.08566	20.3
133.06506	5.5
133.10110	15.9
135.08054	14.0
135.11667	2.0
137.09615	6.7
141.06950	5.3
142.07759	14.1
143.08534	14.3
144.09329	2.7
145.10120	40.0
147.08037	13.0
147.11682	39.0
149.09666	10.8
150.29118	1.6
150.93231	1.6
151.07523	17.7
153.09039	2.7
154.07698	1.7
155.08536	7.3
156.09380	5.2
157.10156	18.7
158.10852	2.2
159.07986	5.4
159.11699	11.8
160.08823	2.1
161.09630	5.6
161.13263	3.6
163.11185	6.1
165.09114	27.1
167.08540	3.9
168.09331	3.4
169.10109	8.8
171.11732	8.7
172.08751	1.8
173.09616	4.8
173.13214	6.9
175.11177	29.9
177.09052	3.5
178.09860	2.9
179.08612	2.3
181.10063	4.5
183.11673	9.1
185.09592	2.7
185.13321	3.9
187.11151	2.8
187.14864	2.5
189.12761	5.1
191.14378	2.4
193.10150	2.5
194.10738	2.2
195.11662	2.7
197.13225	4.3
199.11188	3.2
199.14780	2.5
201.12733	9.1
203.14328	13.3
207.13751	8.3
209.13245	2.9
209.15285	2.8
211.14870	4.6
213.12692	2.0
215.14223	3.0
219.13811	6.6
221.13429	2.6
221.15349	59.9
222.15817	2.3
223.14653	2.0
227.14383	2.6
227.17802	1.9
229.15919	5.3
231.13780	3.8
233.13252	2.0
233.15321	3.3
234.16139	16.2
253.15924	2.7
286.19492	1.9
287.20059	6.0
299.20074	2.9
300.20724	2.4
312.21140	1.9
329.21024	4.7
353.02185	1.6
391.26324	3.5
409.27353	33.6
410.27536	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	409.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.9
55.05506	24.5
57.07067	10.4
59.05001	3.9
60.94061	3.4
65.15517	3.1
67.02052	3.1
67.05508	30.4
68.95741	3.3
69.03429	9.4
69.07059	11.4
69.24099	11.0
69.24516	23.9
74.11952	3.3
76.46427	4.4
79.05483	22.9
81.03413	3.7
81.07062	40.9
83.04963	6.0
85.06547	4.5
91.05478	41.6
93.07051	53.9
95.04971	50.3
95.08602	32.3
97.06522	9.8
98.21593	6.4
103.05443	5.0
105.07033	100.0
107.04980	4.4
107.08580	30.6
109.06508	11.8
109.10140	13.5
113.43581	4.1
116.53764	3.6
117.07002	19.3
119.08582	69.9
121.06481	20.6
121.10141	24.8
121.72354	3.6
122.81474	3.2
123.08073	21.1
123.11713	4.7
128.06247	6.1
129.07005	8.2
130.07747	7.3
131.08585	26.0
133.06465	6.5
133.10097	27.1
133.86760	3.5
135.08043	17.5
135.11688	9.3
137.09592	12.8
142.07765	10.7
143.08572	14.5
145.10132	35.3
147.08035	15.5
147.11693	42.2
148.54124	3.7
149.09605	12.5
149.13287	4.4
151.07553	22.8
155.08554	9.5
157.10081	17.1
159.08008	7.2
159.11687	12.5
161.09636	10.1
161.13260	5.3
163.11186	5.1
165.09113	30.8
169.10100	8.5
171.11676	11.4
173.09631	4.9
173.13351	7.1
175.11131	25.3
175.14778	4.1
181.10168	4.4
182.10849	3.8
183.11708	8.6
187.11235	6.4
187.14786	5.9
189.12685	7.9
193.10190	3.7
195.11711	4.5
201.12729	12.1
203.14314	17.5
203.17865	3.9
205.15628	3.6
207.13753	8.2
209.15227	5.5
211.14783	9.7
219.13889	6.6
221.13390	6.1
221.15359	69.7
229.15793	4.8
234.16090	15.1
287.20120	8.9
309.59048	4.7
329.21222	5.2
391.26648	5.1
409.27280	50.1
409.34235	8.2
417.76428	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	409.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.7
62.34814	0.4
67.21375	0.5
69.03437	0.5
70.06583	0.9
71.50858	0.8
72.08138	0.7
75.26424	0.5
79.05489	0.7
83.04963	2.4
84.08152	0.7
85.02902	1.1
86.09719	0.6
87.47993	0.4
103.90591	0.5
106.45935	0.4
120.08103	1.5
124.03941	2.1
124.04753	0.5
125.05980	0.4
131.04924	0.5
135.04379	0.5
137.05998	0.5
139.03932	0.5
151.03926	0.6
164.06985	0.5
165.05457	0.6
203.05307	0.7
271.07364	0.7
275.68893	0.4
285.08627	0.7
292.65469	0.5
313.08133	0.8
315.09680	0.6
318.38724	0.4
331.09238	1.4
333.10568	0.5
349.10239	1.1
409.18329	100.0
410.18756	2.6
432.42392	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2734
Annotation	10'-Apoviolaxanthal
Peak:m/z	Relative Intensity
53.03938	4.5
55.05519	18.5
57.03450	2.6
57.07069	6.7
59.04995	4.1
65.03941	4.8
67.05505	21.7
67.81621	2.2
69.03424	10.5
69.07058	9.9
69.18907	28.6
79.05489	27.4
81.06598	3.5
81.07059	48.8
83.04960	6.2
83.08607	3.6
85.06537	4.8
91.05482	42.8
93.07044	52.3
95.04961	54.5
95.08602	35.9
97.06526	9.9
103.05470	3.7
105.07030	100.0
106.10506	2.3
107.08591	26.5
109.06510	14.8
109.10131	11.6
111.08067	3.6
115.05402	4.8
117.06996	13.2
119.04938	3.4
119.08578	68.6
121.06499	19.8
121.10129	17.5
123.08092	17.6
125.09595	3.5
128.06216	4.0
129.06973	10.2
130.07758	5.9
131.08556	21.6
133.06485	4.8
133.10120	21.1
135.08058	11.2
135.11685	5.5
137.09627	12.0
141.07001	5.3
142.07800	13.9
143.08565	19.0
145.10112	41.0
147.08041	17.5
147.11684	34.6
149.09639	14.0
151.07536	22.4
153.09120	4.4
154.07724	4.2
155.08524	7.8
156.09329	4.1
157.10127	26.4
159.08037	8.6
159.11691	19.3
161.09622	6.9
161.13237	4.9
163.11160	5.0
165.09108	35.8
167.08566	5.6
168.09309	4.5
169.10201	14.6
171.11678	11.1
173.09668	5.1
173.13235	5.8
175.11214	24.4
177.09126	6.0
179.10625	3.5
180.09540	2.6
181.10181	7.4
183.11667	11.8
185.09723	3.8
185.13254	7.0
187.11203	3.8
189.12778	6.7
191.14360	2.5
193.10185	3.3
195.11687	6.5
196.12497	2.9
197.13260	6.5
201.12744	11.3
201.16348	4.0
203.14317	17.3
204.88145	2.6
207.13806	7.1
209.13333	5.9
209.15286	3.4
211.14775	7.3
213.12672	3.7
215.14508	2.9
219.13858	4.8
221.13382	2.9
221.15363	68.4
225.16380	3.3
229.15907	5.3
231.13789	4.9
234.16148	11.4
253.15781	6.9
286.19135	4.0
287.20071	8.5
300.20703	4.6
329.21112	3.9
391.26208	8.4
409.27328	44.7
410.27502	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	408.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	12.7
55.05512	19.8
57.03413	11.7
59.83939	7.4
60.12165	7.2
69.03429	21.6
70.06597	16.8
71.14458	11.7
71.14819	13.6
72.08173	10.7
73.02905	9.1
78.01791	7.8
79.05509	13.4
79.48340	7.4
81.03436	28.8
81.07067	21.2
84.04518	10.5
84.08131	8.5
85.02914	28.0
86.09711	16.1
91.04545	7.4
91.05476	100.0
93.07039	27.9
95.04977	23.4
95.08626	19.7
97.02908	27.6
97.06490	10.1
103.05469	9.3
105.07030	37.0
107.04995	17.0
109.06535	27.3
116.89694	9.8
116.98657	7.3
117.07034	8.6
118.08669	9.6
119.08578	10.6
120.08118	35.4
121.08434	16.8
123.08037	13.0
124.03938	13.1
133.06512	16.7
137.06056	18.2
137.09613	25.6
140.08133	7.7
141.05438	21.2
145.06465	12.9
145.54048	7.9
147.04387	8.9
151.03889	10.9
151.07520	21.9
161.06021	15.6
165.05557	7.9
169.06474	8.2
171.04547	11.9
179.07057	85.3
181.04971	8.3
183.10197	19.5
184.17365	7.2
185.66405	7.0
187.06036	12.4
193.12239	10.1
197.08133	23.2
197.51955	8.1
211.09598	37.4
211.13347	36.8
220.11594	15.8
222.08482	9.9
229.10762	53.3
230.38840	10.0
260.11658	8.5
261.10706	16.9
267.15915	33.9
325.07086	30.7
409.10971	13.9
409.18457	13.3
413.22418	8.5
425.12833	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	408.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	0.8
59.19969	0.7
62.65141	0.9
64.96539	0.8
65.03021	0.8
66.91108	0.8
69.03396	1.9
70.06618	1.4
70.34395	2.5
79.05483	0.8
81.03438	1.1
85.02896	4.4
91.05480	1.4
93.07018	1.2
95.04945	1.4
97.02891	1.5
98.20855	1.1
105.07027	1.2
107.04915	1.2
114.05533	0.8
121.06431	0.9
123.04426	2.8
123.67496	0.7
124.05203	0.9
133.06487	1.1
137.05966	2.9
149.05942	2.0
151.03836	1.2
152.06937	0.7
166.07274	3.4
167.07034	100.0
168.07397	1.5
177.60234	0.8
179.07030	1.6
181.08624	2.1
193.08543	3.8
211.09642	15.4
229.10677	10.1
251.25500	0.7
408.17401	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	12.7
55.05512	19.8
57.03413	11.7
59.83939	7.4
60.12165	7.2
69.03429	21.6
70.06597	16.8
71.14458	11.7
71.14819	13.6
72.08173	10.7
73.02905	9.1
78.01791	7.8
79.05509	13.4
79.48340	7.4
81.03436	28.8
81.07067	21.2
84.04518	10.5
84.08131	8.5
85.02914	28.0
86.09711	16.1
91.04545	7.4
91.05476	100.0
93.07039	27.9
95.04977	23.4
95.08626	19.7
97.02908	27.6
97.06490	10.1
103.05469	9.3
105.07030	37.0
107.04995	17.0
109.06535	27.3
116.89694	9.8
116.98657	7.3
117.07034	8.6
118.08669	9.6
119.08578	10.6
120.08118	35.4
121.08434	16.8
123.08037	13.0
124.03938	13.1
133.06512	16.7
137.06056	18.2
137.09613	25.6
140.08133	7.7
141.05438	21.2
145.06465	12.9
145.54048	7.9
147.04387	8.9
151.03889	10.9
151.07520	21.9
161.06021	15.6
165.05557	7.9
169.06474	8.2
171.04547	11.9
179.07057	85.3
181.04971	8.3
183.10197	19.5
184.17365	7.2
185.66405	7.0
187.06036	12.4
193.12239	10.1
197.08133	23.2
197.51955	8.1
211.09598	37.4
211.13347	36.8
220.11594	15.8
222.08482	9.9
229.10762	53.3
230.38840	10.0
260.11658	8.5
261.10706	16.9
267.15915	33.9
325.07086	30.7
409.10971	13.9
409.18457	13.3
413.22418	8.5
425.12833	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	409.1105
Annotation	Khellol glucoside
Peak:m/z	Relative Intensity
50.70506	1.3
52.95147	1.3
69.85338	7.4
72.31200	1.3
83.49857	1.4
85.02893	2.3
93.52272	1.3
101.00887	2.3
119.01926	2.9
130.04987	3.2
131.01880	2.6
133.03462	2.8
143.01895	2.2
151.04494	1.2
155.01869	2.2
161.02888	2.9
168.28596	1.3
173.03023	3.2
189.02393	1.5
197.02995	1.5
231.03552	2.2
245.05205	2.3
280.08109	2.8
289.03976	3.1
295.84906	1.7
301.03873	1.3
307.05118	2.2
319.04852	1.6
340.11279	1.7
361.06482	1.7
382.58820	1.5
409.11072	100.0
410.10880	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34711	0.3
53.03934	0.4
57.03422	0.5
58.80547	0.3
61.02931	0.5
61.68279	0.3
66.57786	0.3
67.05495	0.4
68.74675	0.3
69.03433	2.1
70.04309	0.6
70.04721	0.8
73.02901	0.4
81.03424	0.4
85.02427	0.4
85.02906	4.1
87.04447	0.4
97.02885	1.1
97.06515	0.5
103.03976	0.3
105.07069	0.4
109.02868	0.7
119.08579	0.3
123.04426	0.9
124.07578	0.6
127.03906	0.5
136.14362	0.3
145.06575	0.3
145.10088	0.4
155.08549	0.8
157.08788	0.4
172.11249	0.9
173.09695	0.5
183.08070	0.3
184.07538	0.4
185.08432	0.5
188.07076	0.3
189.07832	1.3
190.12227	0.4
200.07140	0.7
200.10661	1.4
201.08998	0.3
202.08502	0.3
203.09311	0.4
213.07814	0.7
214.08540	0.4
216.06494	0.6
217.07449	0.4
218.08183	1.8
218.11794	0.3
228.10217	1.1
230.08153	0.6
231.08945	0.9
244.09761	0.5
245.10376	1.1
246.11258	100.0
247.11581	3.2
288.12341	1.0
408.16440	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	408.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68026	2.2
55.93526	3.7
56.96551	4.6
60.04516	2.7
65.04248	2.2
69.03425	6.8
69.67195	16.8
70.06574	2.9
77.63361	2.0
79.05475	2.9
83.04983	5.4
85.02895	10.5
89.03915	3.4
91.05492	3.6
92.45557	2.6
93.07034	8.4
95.04980	5.6
97.02873	4.5
98.97569	6.9
103.05445	4.1
107.04934	8.1
111.04390	5.0
116.98592	2.9
117.03385	3.6
117.83357	2.4
119.04925	3.4
121.06533	12.9
123.04382	3.8
124.05190	2.6
127.03905	3.5
134.03606	2.6
135.04443	5.3
137.05954	3.8
145.02858	3.6
149.05962	22.7
151.03896	4.3
152.04570	2.7
161.05980	5.7
163.03909	33.4
163.07562	4.9
166.06296	3.8
167.07043	74.8
180.42215	2.7
181.08626	33.7
193.08675	4.8
195.08366	2.1
195.10097	2.8
195.50485	2.3
199.02794	2.1
205.96587	3.7
211.09657	100.0
223.97614	5.6
226.07391	8.7
228.06557	2.8
234.96930	3.0
237.02872	4.1
251.97139	3.6
252.97974	9.4
254.13893	3.9
255.36041	2.6
259.05270	7.4
269.98053	3.8
305.05850	13.3
318.48999	2.6
351.12515	2.3
364.13181	13.6
406.17346	2.8
408.15564	27.3
426.02371	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	408.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	7.6
57.62217	5.3
67.05480	11.0
68.05398	6.5
71.50292	9.7
72.89068	6.4
79.05480	10.0
81.07043	14.7
85.02898	21.3
88.46884	5.3
91.05460	12.5
93.07068	7.4
94.71339	7.2
95.04964	33.8
96.04500	7.0
96.05272	6.4
97.02876	11.2
107.04922	7.6
109.02914	6.6
119.04882	9.1
120.08207	6.3
121.06464	7.6
122.75824	5.6
123.04435	22.7
124.07635	9.2
125.02303	9.7
127.03914	6.2
136.07561	6.2
137.05959	8.0
147.04410	13.6
151.03909	100.0
165.05482	11.0
167.03314	10.8
167.06996	7.7
175.03900	8.4
179.07053	11.7
193.04950	9.6
195.06540	9.2
211.05975	59.6
228.08664	23.6
229.07080	13.8
246.09735	8.3
261.10855	22.1
261.67838	6.1
280.72232	5.5
325.06927	6.4
330.76645	5.8
347.93298	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	408.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	0.2
61.02917	0.2
67.05509	0.2
69.03416	0.3
69.07068	0.6
70.06570	0.3
71.51208	0.3
79.05482	0.3
81.03417	0.3
81.07012	0.2
84.04463	0.2
85.02891	0.8
86.09691	0.3
91.05476	0.6
93.07039	0.3
94.06566	0.2
95.04986	0.2
95.08595	0.2
96.08134	0.2
97.02927	0.2
97.06512	0.3
105.07002	0.4
107.04934	0.4
108.08075	0.3
109.02927	0.2
120.08070	0.4
121.08450	0.2
123.04429	1.3
124.07567	0.5
127.03914	0.3
127.05235	0.2
128.06215	0.2
131.08575	0.2
133.03186	0.2
136.03934	0.2
137.05888	0.2
138.09138	0.5
140.10706	0.3
145.06491	0.3
145.10088	0.5
146.05977	0.3
155.08539	0.4
158.07257	0.4
160.07475	0.2
161.05933	0.2
164.07030	0.5
164.84259	0.2
165.05502	0.2
167.07068	0.5
172.07532	0.3
172.11234	0.6
173.05995	0.2
173.09595	0.4
174.87775	0.2
178.08630	0.3
182.06018	0.3
182.09654	0.3
183.07999	0.4
185.08327	0.4
188.07030	0.3
189.07809	1.9
190.08675	0.3
190.12219	0.3
200.04936	0.2
200.07050	0.6
200.10722	1.8
201.09108	0.7
203.09421	0.2
204.06532	0.3
210.09030	0.2
213.07870	0.5
214.08514	0.4
216.06570	0.6
217.07288	0.6
218.08151	1.7
218.11769	0.5
228.10245	1.0
229.08662	0.4
230.08110	0.6
231.08902	1.7
242.65878	0.2
244.09734	0.3
246.11241	100.0
247.11572	3.5
311.07129	0.2
320.58063	0.2
349.17529	0.6
350.23422	0.2
377.10657	0.2
408.07956	0.3
408.16867	1.9
408.25021	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1701
Annotation	Icariol A1
Peak:m/z	Relative Intensity
51.02376	1.9
52.52110	1.5
53.03940	4.0
55.01874	10.4
55.73732	1.5
65.03928	9.6
67.05496	4.1
69.03424	3.2
69.07082	2.3
69.31754	16.6
70.06584	6.1
71.01333	5.3
78.04717	2.0
79.05481	15.9
81.03416	3.8
81.07032	4.5
85.02896	5.8
85.06567	1.7
86.09697	3.2
91.05481	32.7
93.03416	3.6
93.07040	5.5
95.04967	12.7
97.06533	3.5
98.21551	3.2
103.05464	24.5
105.03374	6.4
105.07037	19.4
106.04160	3.8
107.04960	60.0
107.08610	2.0
107.53172	1.6
108.05807	1.8
109.02835	2.0
109.06534	10.1
110.03639	5.2
111.04412	3.5
115.05429	13.4
116.07072	1.8
117.06995	5.8
118.04177	2.1
118.37188	1.9
119.04954	17.8
120.05711	3.6
120.08064	1.6
121.02902	2.0
121.06520	12.2
121.10098	1.8
122.03638	3.2
123.04409	10.8
123.08049	4.8
125.05973	4.1
127.03870	1.7
128.06238	1.9
129.06956	4.7
130.06462	1.7
131.04947	17.6
131.08582	5.4
132.05717	7.7
133.02887	12.7
133.06500	20.5
135.04413	3.6
135.08049	13.9
136.05170	3.0
137.04924	2.1
137.05981	42.8
138.03024	2.4
139.03899	2.0
140.04662	3.9
141.06970	12.5
145.06517	2.5
147.04416	8.4
147.08047	2.2
148.05212	4.4
149.06009	10.8
151.03925	4.9
151.07550	17.6
153.04311	2.3
153.05472	18.1
154.06223	3.2
155.07051	10.4
157.06459	2.8
159.08009	2.2
160.05159	5.2
161.05995	38.8
161.09599	4.7
162.14844	1.6
163.03828	3.8
163.07547	70.3
165.05489	34.3
166.06189	4.7
167.07045	15.8
168.07449	1.5
169.06467	5.5
171.06508	5.6
173.05978	3.2
175.07605	5.2
177.05493	22.5
178.08583	1.7
179.07043	32.6
180.07828	22.3
181.04959	100.0
181.08582	33.2
182.00873	1.9
182.05296	2.9
182.09378	2.5
183.06534	6.1
187.07536	3.4
189.05496	5.1
189.09074	16.5
191.07021	9.0
192.07820	14.0
193.04973	16.0
193.08607	13.4
195.06480	2.4
196.09677	2.1
197.08081	12.6
205.08600	2.8
207.06525	17.3
207.10095	9.0
208.07295	32.4
208.12891	1.6
209.08046	11.8
211.09709	2.6
215.07018	90.9
216.07436	4.2
217.08609	3.4
221.08072	14.1
223.09613	4.0
223.19067	1.8
225.07588	38.1
226.08350	27.1
227.49442	1.7
235.09662	8.0
283.09824	2.0
310.56107	1.9
313.10699	2.8
357.13388	21.1
359.14880	4.9
371.14719	2.5
377.15726	2.1
389.16046	9.1
407.16968	2.6
407.22095	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	1.1
55.01871	4.4
55.05495	2.7
56.05035	7.4
57.03437	6.0
58.99583	11.7
61.01165	0.9
67.05488	1.7
68.05025	1.7
69.03419	1.2
69.07035	1.0
70.02942	1.1
70.06592	1.8
71.51176	1.0
74.00664	1.6
74.68654	0.9
76.02225	20.3
76.03998	1.9
79.05492	4.8
80.05016	1.5
81.03413	0.9
81.06597	1.5
81.07059	20.7
83.06110	2.2
84.04505	26.9
84.08136	1.1
85.01125	3.8
85.02900	3.5
86.00642	5.6
86.09662	1.0
86.99049	8.3
87.02689	6.0
88.02216	2.8
91.05470	1.9
93.07013	2.6
94.06558	1.1
95.04978	1.7
95.08617	4.2
96.08132	1.7
97.01144	1.1
97.02890	1.3
97.06551	1.4
98.09691	11.1
99.05573	1.9
99.08087	5.1
102.05534	5.8
105.00072	0.9
105.07027	3.0
107.04950	1.1
109.02859	1.2
110.09673	2.6
112.03957	3.7
113.04216	5.3
114.03803	0.8
115.02095	0.8
115.05767	1.0
116.01676	24.0
116.07085	0.9
121.06486	0.9
122.09673	2.0
123.08057	1.2
125.02370	1.0
127.03888	1.2
127.05803	1.1
129.06583	3.6
129.07431	1.1
130.04999	8.0
130.06857	4.8
130.08609	2.1
139.05794	2.3
142.03253	1.7
142.04999	1.4
143.02768	1.5
144.01154	7.9
145.10147	1.1
147.04437	0.9
151.03925	1.5
155.95120	1.1
156.08421	19.9
156.10199	10.7
157.06810	7.9
162.02205	22.3
162.03481	1.8
165.09120	3.5
167.07048	12.0
174.09479	12.2
179.04845	11.1
183.10118	1.0
184.07971	0.9
195.06467	1.4
201.11145	1.0
209.08109	2.7
210.11279	3.0
216.06914	6.3
227.09148	3.4
233.05888	2.2
244.08185	1.0
244.15497	1.2
245.06018	1.7
256.80634	1.0
259.11121	100.0
260.11411	3.3
277.11984	1.5
285.12558	1.1
313.12207	4.9
331.13306	4.7
349.77356	0.9
388.15259	2.0
406.16638	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	19.9
62.51794	15.2
71.51078	21.4
79.05492	21.2
81.07041	19.9
85.02897	25.5
91.05492	28.8
93.07035	38.0
107.04939	100.0
109.02853	32.0
109.06552	17.0
111.55704	16.4
121.06514	33.5
137.05988	94.1
138.06293	37.2
149.06049	31.2
151.03931	44.3
162.06415	19.2
165.05507	66.3
166.08594	30.6
167.07051	68.2
177.05484	42.0
181.04951	64.8
182.05255	52.1
195.06532	53.3
203.62502	18.1
204.94463	18.1
208.09750	27.8
209.08177	35.5
226.10703	61.8
233.08127	40.7
234.08420	67.6
244.09599	18.5
244.11818	59.4
252.14552	18.8
254.09784	19.6
263.09189	19.6
264.09213	17.1
302.07196	18.0
328.10214	20.6
356.09406	21.5
374.10385	22.4
388.14825	73.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.17
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	4.5
56.96546	2.1
62.33088	2.0
65.03924	4.9
67.05491	5.6
67.19716	2.0
69.07066	3.0
69.26841	19.9
69.27244	4.3
71.89571	2.1
74.07184	2.2
79.05489	9.0
81.03429	2.9
81.07041	9.5
85.02879	2.9
91.05481	24.3
92.80830	2.3
93.07044	5.0
94.04134	4.4
95.04968	14.4
95.08601	4.5
103.03967	4.6
103.05445	11.7
105.03424	2.5
105.07017	7.6
107.04945	22.9
107.08579	2.3
109.02892	2.8
109.06530	5.5
109.10144	3.4
111.04385	2.5
115.05487	4.9
115.06208	2.4
116.23933	2.2
119.04940	24.5
121.06507	8.1
122.03642	6.4
123.04464	11.4
127.03931	4.7
129.06987	2.1
131.04950	10.7
131.08633	2.6
133.02853	3.7
133.06505	6.6
135.04462	2.1
135.08049	8.2
135.11736	2.6
136.05099	3.6
137.05974	100.0
138.06265	6.3
140.04631	2.9
145.06459	2.7
147.04437	2.3
147.08078	2.5
149.05974	5.4
151.03911	6.9
151.07544	30.7
153.05466	5.3
155.06982	6.0
155.14264	2.6
159.11723	2.7
161.05966	14.4
161.09604	2.7
163.07532	25.8
165.05518	11.6
165.06723	2.3
165.30054	2.4
166.06206	2.8
167.07027	32.5
175.07520	7.3
177.05431	6.7
179.07066	7.3
180.07777	6.2
181.04964	36.7
181.08600	32.3
181.10086	4.1
182.05443	2.7
183.06619	3.4
189.09068	8.9
192.07721	2.3
193.04961	3.0
193.08588	3.2
197.08037	3.7
197.46680	2.5
207.06508	5.2
207.10207	3.7
208.07309	10.0
209.08141	5.0
225.07542	22.0
226.08429	11.1
308.62906	2.2
355.64090	2.5
368.02652	2.4
389.14676	3.2
407.15417	2.6
408.17377	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	405.2631
Annotation	7alpha,12alpha-Dihydroxy-3-oxochol-4-enoate
Peak:m/z	Relative Intensity
53.03926	11.0
55.01880	13.3
55.05507	33.2
57.03418	12.2
57.07063	7.1
60.84096	2.7
65.03959	3.7
67.05501	86.0
69.03421	40.4
69.07068	30.7
70.09376	3.1
71.01343	4.2
71.04970	11.9
79.05482	56.4
81.03415	36.6
81.07048	83.7
83.04987	19.7
83.08619	15.2
85.02896	15.4
85.06513	3.8
91.05470	74.2
93.06494	5.0
93.07039	82.7
94.50230	2.8
95.04955	17.2
95.08598	65.6
97.02869	12.7
97.06516	10.3
97.10162	4.9
98.20758	7.7
99.04438	5.3
101.56245	2.8
102.86496	2.9
103.03935	3.0
103.05492	2.9
105.07021	80.5
107.04934	10.6
107.08582	45.5
109.02865	8.4
109.06516	13.5
109.10152	30.0
111.04432	16.7
111.08065	7.5
115.03928	6.5
115.05470	3.6
117.07012	35.7
119.08573	59.0
121.06503	12.6
121.10128	33.0
123.04420	7.0
123.08054	9.0
123.11700	12.0
125.09617	5.0
127.03923	4.0
127.35893	2.9
128.06212	7.7
129.05470	6.6
129.06995	32.2
130.07755	4.8
131.08549	52.3
133.06445	11.5
133.10103	38.1
135.08067	13.3
135.11653	21.4
137.09575	7.5
139.11198	4.3
141.06956	4.2
142.07748	12.2
143.08539	29.5
145.06465	10.9
145.10101	41.2
147.08023	10.7
147.11655	27.7
149.09564	9.5
149.13203	13.6
151.07530	3.4
154.38762	2.5
155.08516	12.3
157.10123	22.6
159.08038	8.2
159.11673	30.9
161.09598	9.7
161.13225	17.0
163.11160	6.2
163.14822	4.9
165.06990	2.7
165.09105	3.7
167.08510	5.7
169.10139	10.7
171.08031	5.8
171.11705	20.6
173.09601	7.7
173.13213	28.2
175.11226	7.4
175.14755	9.2
177.12778	4.6
179.14386	3.2
181.10155	6.2
183.11671	12.3
183.68951	2.7
184.12396	3.8
185.09610	4.4
185.13234	17.8
187.11171	5.6
187.14804	6.8
189.12802	5.0
191.14276	3.5
195.11710	4.1
197.13155	8.3
199.11191	5.1
199.14783	9.8
200.79727	2.7
201.12698	6.2
203.10574	3.5
203.14301	5.7
209.13301	5.6
211.14828	4.3
213.12651	5.0
213.16374	3.0
215.14409	4.9
225.12680	6.6
227.14348	4.0
229.15598	3.9
257.15378	3.1
257.19031	3.3
259.20587	5.1
261.22205	4.6
261.54538	3.3
273.22061	9.9
275.16208	3.3
277.21530	4.5
285.21915	7.3
289.21606	11.7
291.23199	7.0
299.23523	5.4
301.21619	11.2
303.23175	6.5
313.21558	4.0
315.23151	14.3
319.22681	6.5
323.23651	5.8
327.23297	11.1
331.22525	6.8
341.24753	15.1
345.24176	14.7
351.23022	15.4
357.24210	4.7
359.25854	3.9
369.24203	59.7
387.25269	62.1
405.26288	100.0
405.37576	5.4
406.26660	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	405.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	1.7
52.28193	1.4
52.40760	1.4
53.03934	3.1
54.59267	1.4
55.01856	3.9
55.05496	2.1
61.98463	1.6
65.03938	9.2
67.05489	6.6
68.99755	1.9
69.03393	3.1
69.07085	1.8
69.81670	10.2
79.05485	14.7
81.03403	5.5
81.07040	4.3
82.04185	2.2
85.02895	5.9
91.05476	15.0
93.03403	2.8
93.07039	5.2
94.04195	1.8
95.04984	10.5
97.02875	1.8
97.06516	5.6
98.21497	2.7
103.05466	7.7
105.07050	8.9
106.04153	4.8
107.04948	21.4
107.08577	3.0
108.02106	2.9
109.02906	1.7
110.03635	4.6
111.04446	3.2
115.05438	6.2
117.06975	4.4
119.04948	10.5
119.08556	2.4
121.06470	9.5
122.03651	5.1
123.04425	5.8
124.05207	4.5
125.05964	3.8
127.03884	1.9
128.06180	3.3
129.07001	8.5
131.04906	6.7
131.08551	2.1
132.27527	1.6
133.02829	1.7
133.06480	9.6
135.04396	2.9
135.07999	2.1
137.05971	73.9
138.03130	2.8
141.06946	1.7
142.02567	1.7
143.04921	7.1
144.05719	2.1
145.06503	7.6
145.10126	2.5
147.04367	19.1
147.08089	1.9
147.11652	1.6
149.05991	10.0
151.03902	23.6
151.05000	3.5
151.07526	5.4
152.04709	3.3
152.95154	1.5
153.01830	5.8
153.05434	4.3
157.06512	12.8
159.08040	1.8
160.05161	3.4
161.05975	18.1
161.09645	2.9
163.03909	2.3
163.07567	7.8
165.05428	4.4
165.09106	2.5
165.43654	1.8
166.00893	3.1
167.07031	67.6
171.04420	5.4
171.06519	7.1
172.05203	7.2
173.05954	5.0
173.13170	1.9
174.06688	2.7
175.07553	8.8
177.05466	8.0
179.07074	12.2
181.04945	100.0
181.08556	5.9
187.07518	6.8
189.05450	5.1
189.09087	6.7
191.07022	5.3
192.64093	2.1
193.08626	9.8
195.06561	6.5
200.04648	3.0
201.05389	4.0
203.07028	15.9
205.08611	5.2
206.05667	2.5
207.10025	1.9
209.08147	2.5
211.07739	1.8
215.06906	2.7
218.05736	4.4
219.08087	2.1
219.10040	2.2
221.07941	8.7
227.06956	2.3
231.02885	2.9
233.08069	57.3
234.06691	2.8
235.09793	1.9
236.08194	1.8
245.04417	7.2
245.08051	2.3
249.09148	3.5
250.06244	1.8
251.09248	3.5
261.02158	3.9
263.09244	9.2
265.08609	2.5
265.14386	2.5
277.08670	2.2
279.09998	2.0
285.03970	2.1
289.01627	18.5
293.08099	1.9
298.99960	1.9
300.00900	2.0
301.07047	3.0
305.08060	2.6
307.09415	2.1
308.79648	1.7
309.11160	2.7
313.17853	2.2
317.01096	6.5
318.01566	2.7
325.10846	3.0
337.10599	2.8
338.11267	2.2
341.13828	2.6
345.13290	3.3
351.12140	4.4
357.13321	10.2
369.13165	8.0
370.76410	1.7
375.14395	2.0
387.14401	31.7
405.02798	20.3
405.26398	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.7
55.01901	2.0
57.03435	2.8
61.02937	2.2
63.27093	2.4
67.05484	3.7
69.03428	6.0
69.35621	1.8
71.04987	2.1
76.02227	2.9
79.05492	3.0
81.03430	3.0
81.07043	3.6
84.04477	2.7
85.02896	15.3
91.05475	7.0
95.04962	38.0
97.02862	10.1
98.21464	5.4
105.07033	2.3
107.04956	3.4
109.02886	3.1
109.06504	4.7
116.01669	2.3
119.04940	2.9
123.00811	3.8
123.04424	16.5
125.02355	69.9
125.03287	3.6
127.03870	3.0
133.06503	2.7
135.04431	1.9
137.05975	8.9
139.03889	16.1
141.01895	3.6
141.05478	5.3
145.05042	2.8
147.04398	4.8
149.02306	2.2
151.03896	35.6
152.07162	1.9
153.34367	2.1
155.06967	2.9
161.05936	2.8
162.02177	2.5
165.05505	15.1
167.03386	13.5
167.07004	2.9
168.95639	2.1
169.04961	8.7
181.05023	2.3
183.06528	2.4
193.04967	7.4
193.08585	4.3
196.28767	2.0
211.06021	100.0
219.33653	2.1
229.07066	45.1
243.08632	19.1
244.08138	5.6
259.11081	11.0
386.56622	1.8
398.88120	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1545
Annotation	Angeliferulate
Peak:m/z	Relative Intensity
53.03936	1.4
54.99620	0.9
55.01873	2.2
65.03925	4.0
65.78111	1.0
67.05495	2.0
69.03432	2.0
71.12554	2.3
71.12907	1.0
78.04706	1.7
79.05489	5.8
81.03407	4.0
81.07050	2.1
82.04198	1.2
85.02894	2.7
91.05494	6.3
93.03377	1.1
94.04179	3.4
95.04986	2.4
97.06525	1.5
102.41116	1.0
103.05483	2.4
105.07014	1.2
107.04964	11.1
108.02110	1.0
109.06505	2.2
110.03651	1.6
111.04427	1.5
115.05452	4.5
117.06998	4.0
119.04926	3.5
121.06548	2.4
122.03671	7.3
123.04426	1.6
124.05190	2.9
125.05989	2.9
128.06204	1.5
129.06976	4.4
131.04881	2.8
133.02892	1.0
133.06468	2.6
137.05983	100.0
138.03094	2.2
138.06328	1.3
142.02641	1.2
143.04898	3.5
144.05663	1.5
145.06503	5.0
147.04401	5.6
147.08072	1.5
149.05959	3.4
151.03920	15.8
151.07538	2.1
153.05452	2.7
157.06483	5.1
160.05209	1.5
161.05966	5.5
163.03859	1.0
167.07060	25.7
171.04424	2.8
171.06543	2.2
172.05177	4.1
173.05948	2.9
174.06821	1.4
175.07492	5.5
177.05478	2.4
179.07019	4.2
181.04961	55.0
187.07529	3.2
189.05470	2.4
189.07065	0.9
189.09100	4.5
190.06139	0.9
191.07030	2.3
193.08574	2.2
195.06613	2.3
201.05421	2.9
203.07022	12.3
205.08615	3.7
206.05733	1.7
207.06447	1.1
209.07999	1.1
217.08493	1.3
218.05769	3.3
219.06325	1.4
221.08104	5.2
231.08298	1.3
233.05856	1.8
233.08090	28.9
235.09563	2.3
248.63458	1.1
249.09270	1.1
251.06863	1.5
251.09161	6.1
263.09247	5.3
264.07880	1.0
265.08594	1.8
277.08578	3.1
281.11548	1.0
297.11356	1.2
301.07034	3.4
305.08188	1.0
309.07266	1.0
309.11148	3.0
316.09302	2.4
325.11026	1.9
337.10617	4.1
351.12332	2.0
356.12976	1.0
357.13470	5.5
369.13342	2.8
373.13229	1.0
375.14325	2.0
387.14401	24.5
387.24985	2.1
405.15759	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.139
Annotation	Unknow
Peak:m/z	Relative Intensity
60.88761	3.4
69.03432	6.7
69.81785	17.9
81.03416	4.2
81.07024	3.2
84.04501	3.7
85.02908	14.3
95.04978	41.6
97.02904	9.3
105.07023	5.3
107.04939	5.6
109.02897	3.9
109.06490	6.1
123.00791	4.2
123.04416	20.6
125.02350	73.9
127.03873	6.4
137.05974	6.8
139.03883	19.3
144.67957	3.7
151.03905	37.8
156.08455	3.4
165.05493	19.5
167.03450	8.8
169.05051	5.8
183.06526	4.6
183.08147	3.7
193.04977	10.8
194.98470	3.2
211.06010	100.0
229.07060	36.0
243.08594	15.8
244.08130	7.4
259.11053	10.6
310.52557	3.4
316.78714	3.3
360.08157	3.3
405.15991	5.3
406.13776	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	405.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
69.34904	15.8
69.35345	20.3
85.02893	13.1
91.05453	5.1
95.04985	36.5
103.09955	3.7
109.02860	4.1
119.04941	6.5
123.04444	14.3
137.06029	5.7
141.05417	4.7
147.04366	6.5
151.03905	91.8
164.07024	4.8
165.05479	100.0
169.04944	13.5
191.40057	4.3
193.04953	10.3
201.83206	4.5
211.06035	11.2
225.07567	16.0
225.88884	4.1
263.98016	4.2
270.33267	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	405.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16959	4.1
53.64142	3.5
54.62572	3.7
57.03429	4.9
57.07931	3.5
58.99865	4.2
59.35339	3.1
69.03424	11.8
70.20805	3.5
70.34925	8.1
70.35314	8.0
73.70224	4.2
78.96956	3.7
81.03429	6.2
82.64022	3.7
85.02904	36.6
95.04970	57.8
97.02900	19.3
109.02897	12.3
109.06496	4.2
123.04413	23.2
125.02355	32.8
126.03144	4.6
127.03894	9.2
137.06017	7.5
139.03903	18.2
141.05452	17.5
145.04950	8.4
151.03893	95.4
155.11761	3.7
165.05577	4.8
166.30704	3.5
167.03404	48.4
169.04964	64.2
193.04932	11.0
211.06013	100.0
211.08012	5.0
229.07045	37.9
243.08647	7.6
286.14780	3.8
332.41437	4.3
348.07294	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	405.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41145	1.3
53.54009	1.4
55.01871	2.6
67.05495	1.7
71.51679	2.3
78.04709	3.7
79.05499	8.1
81.03406	6.2
81.07046	2.7
91.05467	5.8
95.04967	3.1
95.08633	1.8
103.05462	3.1
105.07038	2.3
107.04952	14.5
109.06490	1.6
111.04445	2.0
115.05474	1.9
117.07014	2.4
119.04961	1.8
120.08127	2.0
121.06526	1.8
121.74671	1.3
122.03627	2.6
123.04419	5.9
124.01585	1.5
124.05193	3.8
125.06007	2.2
129.07002	2.7
131.04893	5.3
133.06471	3.0
137.05974	41.6
138.09126	3.7
145.06485	5.0
147.04385	3.0
149.05946	2.4
151.03909	22.7
151.05028	1.4
151.07527	7.2
152.04701	1.5
157.06520	2.0
160.05273	1.6
161.05972	4.8
163.07532	5.5
167.07039	100.0
171.04413	3.4
172.05156	1.9
175.07576	4.5
179.07060	2.0
180.08134	1.6
181.04938	12.0
187.07449	2.4
189.09023	2.1
191.07063	5.0
193.08606	3.9
195.08121	1.8
197.07065	5.6
197.10800	3.0
203.07014	6.0
205.08632	6.5
207.09181	3.2
211.08690	8.8
213.10255	2.5
215.08125	5.9
221.06195	1.6
221.08109	6.0
223.08727	1.9
225.06664	8.2
225.10246	17.0
227.08151	2.9
229.09650	1.8
233.08043	10.3
235.08678	6.6
237.10156	2.5
238.07350	4.2
239.04446	2.1
239.08151	14.6
240.08736	1.9
241.09744	4.0
243.07573	2.3
243.11288	2.0
245.12854	7.5
251.08273	1.9
253.09744	32.9
253.12270	2.9
254.10175	2.3
255.07578	2.3
257.09171	4.8
263.08557	2.7
265.09427	2.4
267.07651	11.1
269.09265	2.5
271.10794	6.8
277.08676	2.8
281.09195	44.9
283.10754	5.1
285.08652	2.4
285.72061	1.6
287.12790	2.7
289.11807	2.5
297.08698	4.0
299.06845	2.4
299.10205	18.9
300.10117	1.7
301.07135	2.8
309.08646	66.4
310.08807	2.7
311.10208	11.7
313.08273	1.8
317.11346	3.1
327.09732	38.9
329.11313	4.0
330.14539	2.9
337.07788	11.6
345.10785	32.6
355.09222	53.8
356.09320	1.8
357.13345	3.0
369.13306	2.5
373.10269	42.1
374.10669	1.7
375.14313	2.1
387.14169	12.4
405.12372	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	405.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	4.2
56.52245	0.9
65.03935	1.4
67.05501	1.7
69.03432	1.3
79.05481	2.1
81.03400	0.9
82.06606	0.9
91.05468	5.6
93.07052	1.2
95.04964	2.6
103.05454	1.6
104.05305	0.9
105.07037	2.3
107.04947	3.2
108.08128	1.9
111.04445	1.0
115.05468	1.4
117.06965	1.6
119.04948	3.9
121.06483	1.4
125.06028	1.2
129.07004	1.4
133.06519	2.2
137.05966	10.3
145.06516	1.4
147.04425	2.7
149.06000	2.0
151.03906	3.4
151.07523	1.9
153.05481	1.6
161.05989	4.4
163.07523	1.5
165.05515	1.5
167.07036	12.0
170.05981	1.1
172.05168	1.4
175.07520	3.1
177.05487	2.3
177.09116	1.1
179.07094	5.3
180.07918	1.3
181.04970	11.8
181.08539	1.1
183.09142	2.6
184.07549	1.7
185.07086	1.3
193.08676	1.9
197.07101	10.4
197.10799	1.4
198.07671	2.1
198.09274	2.2
199.08743	2.3
203.07024	3.2
211.04976	1.2
211.08669	12.4
213.10248	2.3
221.07977	1.4
225.06604	16.6
225.10178	9.4
226.07104	1.6
226.08905	1.3
227.08176	2.6
227.11716	2.5
228.10147	1.8
229.09898	1.4
233.08113	4.1
239.04456	3.2
239.08157	30.9
240.08813	3.7
243.07692	3.8
245.12856	24.4
253.06006	1.7
253.09723	18.7
254.10469	1.2
255.07695	3.2
255.11253	2.9
257.05597	3.9
257.09189	9.1
267.05081	1.7
267.07666	17.1
268.08151	1.5
271.07968	1.7
271.10751	10.6
273.08636	2.5
275.10312	1.1
279.02676	1.1
281.06049	1.2
281.09192	18.9
283.10718	3.0
285.08691	6.8
289.11847	6.8
293.09155	3.3
297.08643	2.6
299.06891	1.8
299.10245	29.5
300.10361	1.5
301.11679	1.8
309.08676	25.3
311.10330	5.6
317.11316	3.4
327.09726	50.1
328.10071	2.2
329.11353	8.2
337.08087	3.6
345.10794	76.5
346.11124	3.9
355.09073	6.3
373.10263	100.0
374.10632	3.5
387.11752	3.1
405.12851	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	405.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.8
55.46626	1.5
69.09225	1.3
70.80449	3.6
107.04969	2.2
131.04900	1.5
133.06534	1.6
137.05960	19.9
147.04430	2.3
151.03922	1.9
157.06436	1.9
161.05974	2.5
167.07076	6.6
172.07495	1.5
181.04958	7.1
183.09180	3.7
184.07538	2.4
189.10225	1.8
195.06490	1.4
197.07108	11.0
197.10612	2.0
199.08676	3.3
203.06996	2.0
206.64461	1.4
210.07826	1.8
211.08676	11.5
223.08777	1.6
225.06546	17.0
225.10132	9.5
226.07053	2.3
227.08133	3.9
227.11763	1.7
233.08080	3.5
239.04413	3.1
239.08167	33.5
240.08870	2.4
243.07672	1.7
245.12834	26.8
253.06059	1.2
253.06937	1.7
253.09662	18.9
255.07608	3.5
255.11276	3.7
257.05521	3.2
257.09229	8.4
267.07684	19.8
268.08139	2.5
271.10770	10.8
273.08481	2.5
281.06088	2.5
281.09140	16.7
283.10641	3.9
285.08704	4.4
289.11761	7.9
293.09119	4.5
295.07071	2.3
299.10242	38.2
300.10638	2.8
301.11792	3.0
309.08655	30.4
311.10220	6.0
313.08188	1.4
317.11316	3.8
327.09738	53.1
328.10202	2.3
329.11316	7.4
337.08133	4.1
345.10800	85.7
346.11002	3.0
355.09210	9.6
373.10275	100.0
374.10574	5.9
387.11371	4.3
387.14923	2.7
405.12784	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	405.0969
Annotation	Genistein 4'-(6''-methyl)salicylate
Peak:m/z	Relative Intensity
67.01847	1.4
67.05505	0.8
69.44040	3.1
74.08692	0.4
79.05477	1.2
80.80698	0.3
81.03404	0.6
81.07035	0.9
85.29930	0.4
88.03993	0.8
91.05460	1.2
93.07035	0.8
95.04947	0.9
97.06522	1.1
102.04712	0.7
105.07033	1.0
107.04945	0.6
107.08593	0.5
109.06483	0.7
119.04913	0.6
119.08667	0.4
124.01612	0.4
137.05962	1.4
141.06894	0.4
143.08621	0.4
145.10071	0.5
146.29939	0.4
147.04372	0.7
149.05934	0.5
153.01830	5.0
167.07053	0.9
171.02946	1.0
179.06967	0.5
196.23532	0.4
200.27383	0.4
208.05115	0.6
211.07579	1.0
213.05501	1.1
226.06218	0.7
237.05559	1.2
241.04968	1.9
242.05663	1.7
253.04913	3.8
253.08824	0.5
254.05728	2.9
255.06537	0.9
270.05286	0.9
271.06018	1.9
279.06415	0.5
286.04742	10.9
362.08008	0.9
363.08606	17.4
364.08987	1.1
394.06808	1.5
405.09698	100.0
406.09985	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	404.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75761	18.5
53.06011	21.7
54.91628	17.4
55.05499	68.9
57.03410	27.0
58.36272	24.1
60.63411	17.5
63.99791	19.9
67.05486	68.1
69.94681	85.0
69.95096	36.0
71.08610	23.6
79.05470	61.0
80.06311	20.0
81.07043	100.0
83.04929	22.5
83.08608	49.7
85.06515	19.1
91.05460	63.0
93.07030	56.5
95.04933	24.9
95.08599	57.3
97.06519	30.4
97.10175	46.8
99.08100	42.1
105.07018	46.0
107.08586	36.4
110.62763	18.7
117.06940	21.7
119.03486	18.4
119.08591	32.3
121.10134	25.4
130.41783	20.1
131.08557	20.9
143.08594	27.6
173.11687	28.5
189.11182	41.5
215.14424	25.2
216.14694	31.8
228.80853	20.0
269.17471	58.0
321.60919	25.8
351.25372	28.6
404.24997	58.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63599	3.9
53.03922	6.6
55.05514	22.6
57.07087	4.5
63.52951	5.4
67.05505	39.7
69.07069	13.8
69.24848	5.5
69.25185	46.8
79.05493	73.0
81.07055	100.0
83.08611	9.3
85.06582	5.3
89.88235	4.4
91.05485	47.4
93.06490	5.6
93.07047	71.1
95.08588	22.7
98.20732	9.0
105.07028	46.6
107.08591	31.0
107.09206	4.4
109.06490	15.5
109.10158	14.1
117.07014	11.2
119.08567	36.0
121.10152	25.8
129.01830	6.5
129.07018	6.4
131.08517	14.8
133.10139	41.4
135.11685	28.5
143.08533	9.8
145.10115	13.9
147.11682	26.7
149.13278	13.7
159.11665	14.6
161.13243	19.7
163.14853	6.8
171.11772	6.2
173.13309	7.1
175.14789	9.7
182.37857	4.5
185.13274	9.5
187.04395	4.9
231.21065	8.6
241.19600	19.1
259.20560	63.2
277.21542	13.4
400.69992	4.5
403.28473	30.9
403.39859	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	403.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	10.1
55.05515	26.2
57.03439	8.3
61.61717	4.8
67.05506	30.1
69.07052	15.3
69.68827	22.6
71.04996	6.0
74.13223	5.1
77.04941	4.6
79.05499	32.4
81.03434	6.6
81.07046	43.2
83.08607	6.1
86.70925	5.6
91.05476	66.4
93.07054	29.5
95.04977	8.2
95.08598	18.1
97.06557	7.4
97.10169	5.9
103.05431	13.8
105.07037	32.8
105.38452	4.9
106.30943	4.9
107.04937	9.9
107.08578	13.5
109.10148	10.9
111.08106	5.7
115.05464	16.1
116.06237	5.5
117.07023	47.9
119.04972	12.1
119.08575	15.9
121.06516	7.9
121.10135	7.7
128.06210	36.4
129.07010	100.0
131.04874	4.7
131.08572	33.3
133.06476	18.0
133.10164	9.2
135.08055	9.4
141.06989	90.1
142.07770	17.0
143.04857	7.2
143.08543	40.0
145.06491	25.1
145.10110	18.6
147.08075	8.4
149.90349	6.0
153.07007	26.3
154.07770	20.5
155.08553	69.2
157.06454	31.7
157.10081	28.9
159.04399	9.5
159.08095	23.9
161.05971	10.3
163.11191	5.9
165.05644	8.8
165.07019	22.5
166.07799	10.9
167.07150	11.4
167.08565	66.6
168.09390	8.4
169.06485	36.1
169.10114	70.7
170.50758	5.2
171.08032	17.0
171.11772	10.6
173.05959	14.8
173.09683	8.7
175.03909	5.9
177.05540	6.3
178.07748	5.9
178.62863	5.2
179.08522	20.0
181.04948	11.1
181.06482	7.2
181.10117	43.7
183.08060	16.8
183.11684	28.6
185.05986	13.7
185.09625	20.5
187.07574	23.7
189.05370	13.2
191.07034	12.0
191.08655	13.4
192.09276	5.9
193.10121	19.4
195.08037	37.9
195.11685	8.8
197.05991	15.3
197.09616	28.2
199.07565	5.6
199.11151	11.2
201.09132	17.1
207.11603	5.7
209.09636	18.0
211.07518	10.4
211.11208	15.8
212.22633	5.4
213.09099	18.9
213.12654	5.3
215.10608	9.2
219.11798	8.2
221.09578	7.6
223.07512	12.7
225.09201	7.3
227.10713	7.0
233.13239	6.0
237.09071	6.8
244.83252	5.3
251.17905	11.8
257.11758	10.1
261.16458	14.1
269.19073	7.4
275.12781	9.5
279.17355	36.0
289.15945	14.2
297.18411	44.0
307.15530	51.0
325.17984	81.9
330.09393	5.3
333.50357	5.3
335.16391	37.4
339.19394	13.2
343.18823	10.7
353.17416	42.9
367.18884	9.3
371.18457	15.9
385.20084	32.3
389.18210	5.0
403.21088	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	403.1599
Annotation	Benzyl alcohol beta-D-xylopyranosyl (1->6)-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
50.12836	4.7
52.50815	4.2
53.03936	8.2
53.55217	4.6
59.04992	18.0
69.03403	5.1
70.08248	23.7
71.04995	7.8
79.05476	26.3
85.02904	16.1
91.05500	8.2
93.07071	8.3
95.04957	14.7
103.05503	8.9
107.04955	85.8
109.02878	100.0
109.06516	10.0
121.06516	20.2
123.04431	18.1
135.04453	5.0
139.03862	31.8
139.07535	7.4
141.05489	5.2
149.05930	31.5
151.03874	24.0
159.04424	5.1
165.05472	94.1
165.06870	5.3
167.07056	13.5
171.06503	5.4
177.05478	98.2
195.06564	6.7
209.08070	72.4
226.42455	4.6
323.53964	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	403.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.9
55.01863	2.2
55.05481	1.4
59.04993	14.6
65.03917	1.6
67.05483	4.3
69.03421	4.8
69.45087	10.7
70.60442	1.2
71.01331	3.5
71.04980	4.8
73.02888	1.3
73.97755	1.2
77.03899	2.3
79.05492	20.8
81.03413	6.7
81.07022	2.4
83.04973	3.6
85.02899	13.8
85.06526	1.3
91.05484	5.9
93.07030	8.0
95.04962	21.7
97.02874	3.8
98.54329	1.3
103.05448	13.0
105.07023	1.7
107.04955	74.8
108.05299	1.7
109.02875	100.0
109.06509	11.8
111.04437	4.8
111.08071	2.3
121.06489	17.1
123.04436	12.5
125.02303	2.8
127.03875	1.8
131.04926	7.1
133.02805	1.5
133.06474	1.6
135.04413	2.0
137.05946	5.0
139.03894	26.6
139.07503	6.4
141.05455	2.5
149.05972	32.1
151.03897	22.2
153.05455	1.3
157.04930	2.3
159.04385	5.3
161.05972	1.7
163.07452	1.8
165.05470	78.7
166.05818	2.0
167.07053	14.1
171.06517	3.5
177.05467	86.2
178.05840	2.0
181.04973	6.0
181.08484	1.5
183.06505	3.3
191.07062	3.0
195.06471	3.6
209.08086	58.0
210.08389	1.6
221.08105	1.9
223.09627	2.1
241.10706	2.1
249.07475	1.7
403.14053	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.3939
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33323	0.4
54.81641	0.4
55.05497	0.4
56.05022	0.5
57.07076	8.1
58.06585	1.8
61.61559	0.4
65.70920	0.3
68.10600	0.5
69.07050	0.4
70.06590	16.3
71.08639	3.6
72.08149	0.8
72.71175	0.4
74.21526	0.4
79.60197	0.4
81.07050	0.5
84.08141	0.4
85.10174	1.5
88.07627	20.8
89.70352	0.4
91.05488	0.5
100.07606	0.6
100.49940	0.4
102.09175	13.2
103.78303	0.4
107.08562	0.4
132.06908	0.5
132.10211	0.9
140.11557	0.4
146.08118	0.7
146.11739	0.8
150.11237	0.5
187.93506	0.4
296.33005	1.1
340.35727	40.0
341.36041	3.3
384.38428	2.5
385.38754	0.5
402.39389	100.0
403.39722	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	403.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68826	8.7
51.80322	10.3
53.03936	14.8
55.01862	18.8
59.05006	8.9
63.99092	8.1
67.05508	16.6
69.03400	14.4
69.69469	8.7
70.06590	11.4
70.54170	33.8
73.41132	9.3
79.05486	61.3
81.03411	15.8
83.01311	17.7
91.05460	44.3
93.90144	9.1
95.04962	74.8
95.79232	8.8
103.05453	39.0
105.03390	21.0
105.06990	16.4
106.06570	10.4
107.04958	48.8
109.02868	17.2
109.06507	14.8
115.05438	32.3
117.07012	24.2
119.04936	13.0
119.08573	19.0
121.02814	15.3
121.06431	10.3
123.04414	30.1
125.02317	14.0
128.06180	38.0
129.07008	67.5
131.04889	24.8
133.06494	22.3
139.03851	19.9
141.06953	29.2
143.08553	19.9
145.06459	25.5
147.04329	16.8
147.08025	18.6
149.02234	10.1
149.05988	16.0
151.03896	100.0
153.05640	44.8
153.06931	60.5
155.08521	34.3
157.06496	19.9
159.04402	19.9
159.08040	18.2
161.05945	15.2
163.03947	12.1
165.05457	45.8
165.06984	52.9
166.07736	26.8
167.06999	77.7
167.08516	28.8
169.06438	18.7
171.08080	27.5
173.06047	13.8
175.07538	30.1
177.05389	19.4
178.07719	24.0
179.08536	29.3
181.04977	18.7
181.06470	38.6
181.10098	31.3
183.08072	26.4
185.05936	29.1
187.07529	17.6
187.76430	10.1
189.05467	17.5
190.07770	26.8
191.07022	20.1
191.08571	21.3
195.07994	22.7
197.09515	11.3
199.07529	34.1
201.05487	17.5
202.07793	14.2
203.06995	31.2
205.10081	16.5
207.06438	11.7
209.06047	12.7
209.09659	23.6
211.07542	34.2
215.08669	14.5
218.07349	17.8
219.08035	21.9
221.08014	23.0
223.11136	17.7
227.07013	30.4
227.10555	12.4
233.09651	27.5
237.05441	16.5
237.09067	27.2
251.10764	27.8
253.08524	18.0
255.06453	33.7
255.10083	21.0
261.09128	31.9
265.08636	28.6
269.11630	26.6
273.07437	24.8
279.06772	13.5
279.10144	42.2
281.08279	13.4
283.06464	17.1
283.09689	45.8
289.08469	16.0
297.11136	27.2
301.06998	49.4
301.10471	23.0
307.09531	28.2
309.11115	20.1
315.12286	34.3
325.10608	21.4
335.09073	14.8
339.12234	12.7
343.13904	17.7
353.10120	67.0
357.13177	15.9
367.11710	19.3
371.11209	33.2
385.12854	33.3
403.13882	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	403.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	10.0
55.01868	21.3
56.97758	9.1
61.17324	10.6
67.05482	19.5
69.03419	21.1
69.87971	17.9
69.88371	27.1
79.05483	50.5
81.03412	23.1
81.07035	16.4
83.04988	10.6
85.02897	11.8
91.05477	41.1
93.07063	19.6
95.04966	62.5
95.08613	13.9
96.23297	8.6
97.02920	21.2
98.20850	12.1
103.05464	20.6
105.07014	23.1
107.04939	100.0
109.02873	86.3
110.06917	11.0
115.05496	17.2
117.07008	15.6
119.08572	13.9
121.06503	19.1
123.04414	22.0
125.02351	20.4
128.06212	13.9
129.06987	43.1
131.04913	17.1
131.08508	14.4
133.06496	19.7
135.04442	20.4
137.05936	24.3
139.03906	24.4
139.75058	9.7
141.06990	17.8
143.08604	19.0
145.06442	18.5
147.04419	26.5
147.07971	12.2
149.06024	25.7
151.03918	81.9
151.07455	10.9
153.05414	12.6
153.06990	18.1
155.08539	12.2
156.91258	9.7
157.06476	13.2
159.04407	20.1
161.05954	14.1
165.05469	88.4
165.06981	32.5
166.07803	10.8
167.07047	41.9
167.08485	22.3
171.07986	11.9
175.07626	15.7
177.05470	72.2
178.07710	14.8
179.07027	14.9
179.08569	27.8
181.04929	29.7
181.06421	23.3
181.09976	16.5
183.08058	19.0
185.06033	17.8
185.26147	9.3
189.05452	10.8
190.07851	8.8
191.06963	15.6
193.08585	12.4
195.06386	19.3
199.07475	17.7
201.05466	13.5
202.16664	10.0
203.06943	17.2
205.10109	13.3
209.06119	11.3
209.07939	17.1
209.09770	17.6
211.07605	29.2
213.05420	13.4
215.08649	11.5
218.07152	11.3
223.11107	17.4
227.07091	19.3
233.09676	21.0
237.05392	11.9
237.09142	20.2
241.08672	10.1
251.10611	19.2
255.06548	19.7
259.28806	11.6
261.09265	20.2
265.08472	12.0
273.07562	17.7
279.10147	23.5
281.07864	11.1
283.05862	12.6
283.09482	21.1
289.08487	11.8
296.68353	9.9
297.11301	23.9
301.06982	33.5
301.10345	10.2
307.09546	20.3
315.12225	19.5
325.10971	17.3
353.10184	42.2
367.11661	15.1
371.11111	16.6
385.12540	19.4
403.14035	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.2
55.01856	4.7
56.96553	8.9
57.03434	19.6
59.04988	6.7
60.58980	3.8
61.02896	7.1
63.59048	4.0
69.03427	64.8
70.02401	5.9
70.02798	10.9
70.06573	10.6
72.08140	16.1
73.02907	12.9
73.06555	100.0
81.03394	7.3
84.04492	6.7
85.02902	85.0
86.09737	9.3
87.04469	44.8
91.07572	16.0
97.02888	69.7
100.84314	3.6
107.04917	8.5
109.02877	6.0
110.44774	4.0
115.03191	3.0
115.03928	78.1
121.06551	3.6
127.03951	11.1
133.04962	83.1
145.04927	15.1
147.04385	4.8
151.03973	3.9
161.22267	3.9
181.04892	7.3
217.73383	3.7
237.02921	8.2
241.03732	5.8
259.08234	4.6
402.13828	23.0
403.15674	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	401.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	15.8
57.07072	100.0
67.05495	28.1
69.03431	45.2
69.07053	19.7
70.77999	21.7
71.04985	7.5
71.08640	76.3
80.21712	6.5
81.03415	64.7
81.07067	45.6
83.08608	33.2
85.02900	45.8
85.10178	39.1
95.08614	70.6
96.42753	8.5
97.02862	38.0
97.10171	19.3
99.04447	9.9
105.06979	8.8
109.02862	41.7
109.10162	24.2
123.11652	19.1
127.03956	37.9
137.13219	13.9
145.10042	7.4
164.13246	8.0
239.23790	42.0
383.27905	18.4
401.28119	10.0
402.10486	8.8
402.15936	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	401.2836
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	6.5
55.05507	13.0
57.07067	7.2
62.68575	2.3
65.03934	5.3
67.05491	21.0
69.03451	3.9
69.07066	14.0
69.34535	22.7
71.04995	10.6
71.08642	3.4
78.57747	2.5
79.05485	23.9
81.03392	6.2
81.07054	38.5
83.04989	2.6
83.08613	5.6
85.02863	2.7
91.05475	45.8
93.07035	52.9
95.04967	12.7
95.08592	26.5
98.20768	5.3
103.05462	4.1
104.51275	2.7
105.07026	93.7
107.08584	48.1
109.06520	57.1
109.10145	19.1
111.08076	9.0
115.05438	5.4
117.07044	27.8
119.08573	87.2
121.10146	16.7
123.08072	6.8
128.06230	14.9
129.06998	23.4
130.07814	12.6
131.08562	59.0
133.10118	91.6
135.08084	17.2
135.11659	17.6
137.09634	5.6
141.06996	10.7
142.07770	26.6
143.08548	46.8
144.09267	10.7
145.10115	100.0
147.08054	8.4
147.11699	17.6
149.09644	4.1
155.08575	17.9
156.09344	22.7
157.10117	60.2
158.10942	15.2
159.08073	3.8
159.11681	39.4
161.09662	5.5
161.13229	5.8
165.06996	8.4
166.07707	4.2
167.07098	3.6
167.08553	12.6
168.09326	3.6
169.10103	28.6
170.10905	8.2
171.11676	31.0
172.12453	5.8
173.09613	3.0
173.13232	41.1
175.14857	16.3
179.08571	11.4
180.09303	4.8
181.10106	15.3
182.10899	10.9
183.11694	21.8
184.12541	4.3
185.13260	12.6
187.11226	3.1
187.14792	36.4
191.08551	3.5
193.10144	10.7
194.10896	9.8
195.11682	20.8
196.12381	5.7
197.13264	18.6
199.14813	19.5
201.12759	8.4
201.16420	6.4
206.10851	6.5
207.11746	10.3
208.12427	3.0
209.13257	28.3
210.13905	2.6
211.14906	9.0
213.12917	3.5
213.16446	4.8
219.11661	3.3
220.12520	4.3
221.13225	16.7
222.13887	4.5
223.14876	9.7
225.16402	3.5
231.11627	2.8
233.13177	5.3
234.14003	3.9
235.14792	7.5
236.15378	3.3
237.16449	7.9
245.13239	3.8
245.83803	2.6
246.14029	4.8
247.14781	5.1
248.07162	2.3
249.16458	7.3
251.17969	6.5
252.18607	3.4
253.19476	3.5
259.14764	4.6
261.16333	6.1
263.17935	8.5
264.18716	3.2
265.19504	8.2
277.19418	3.8
279.17404	3.1
279.21106	4.5
331.24036	3.1
343.24152	5.4
383.27667	3.2
401.28302	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	401.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.9
53.46519	2.0
67.55922	2.7
69.03474	2.1
70.62977	2.1
70.63312	5.3
79.05491	14.0
80.16207	1.9
89.38951	2.0
90.21178	2.2
90.28651	2.1
91.05478	9.0
95.04953	4.5
98.92994	1.9
103.05466	3.2
103.20395	2.1
105.04539	2.4
105.07029	2.4
106.04208	2.2
107.04949	32.2
115.05469	2.9
117.07040	2.5
123.04432	6.1
123.89918	2.1
124.05247	5.2
125.06019	2.5
129.07018	5.2
131.04924	2.6
131.08549	8.7
133.06467	2.2
139.07510	3.0
141.06978	3.7
144.05716	9.1
145.06516	5.6
152.04698	3.7
153.05507	3.3
156.05688	17.1
157.06520	3.7
159.04518	2.0
159.08035	12.4
161.06012	5.3
165.07024	3.8
167.07034	100.0
167.08449	5.0
168.07455	2.6
169.06425	4.7
172.05222	2.8
173.06004	5.3
174.06798	2.5
177.05457	3.3
181.04939	6.8
181.06432	2.6
181.08566	3.4
184.05243	3.0
186.06715	4.5
187.07536	11.9
189.06976	3.5
191.06978	5.5
193.52208	2.1
202.06186	4.9
202.07849	3.7
203.08595	3.1
204.07777	3.1
205.08588	15.2
207.06476	4.5
208.05205	26.0
210.06712	2.6
215.08659	2.3
217.08574	31.2
218.07249	6.1
219.08066	10.5
219.10228	6.6
220.08768	6.7
221.05984	7.5
221.09682	2.6
222.06821	2.8
227.06955	2.6
229.08514	6.9
231.08018	7.5
231.10124	4.3
232.08907	2.2
233.05901	4.5
233.09659	7.4
234.06842	3.0
235.07550	4.3
236.04640	5.9
236.08435	4.2
239.06985	4.4
245.09663	3.2
247.07619	14.1
247.09731	19.3
248.08229	12.4
249.09032	4.1
250.06339	3.6
251.10699	2.9
254.05757	7.9
257.04465	2.9
261.05502	3.2
261.09143	6.0
262.09930	5.3
263.07169	4.1
263.10599	11.5
264.07846	9.6
265.08548	8.2
267.06522	7.7
267.09390	2.0
269.08072	29.2
271.09644	8.1
272.06870	3.9
275.07001	6.4
276.07846	8.5
277.08551	5.9
279.10074	10.5
281.08139	3.9
281.11841	2.2
282.08887	21.7
285.07559	3.3
287.09476	2.5
289.08597	3.4
290.09625	3.9
291.10123	14.7
292.07239	6.7
293.08087	8.5
294.08963	2.5
296.10437	2.5
299.08978	5.5
301.07092	5.5
304.07187	3.9
306.08850	2.8
307.09555	10.5
308.10419	7.5
309.11145	3.7
310.08307	11.2
311.12781	3.8
315.08606	89.5
316.09009	4.1
319.09607	6.2
321.07581	4.3
323.09326	4.1
323.12766	20.3
328.09283	5.8
330.10968	84.9
331.11624	12.0
336.09940	4.0
337.10767	9.0
339.12158	10.7
343.11765	23.5
351.12155	29.3
352.12628	5.1
353.10263	6.0
356.12802	2.8
368.12524	10.9
369.13290	3.6
371.14746	6.5
373.16644	2.3
383.10471	3.8
383.14929	66.5
401.16150	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	401.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	3.3
55.01869	2.0
70.23779	6.3
76.59724	1.8
78.04731	2.6
79.05490	14.0
81.07038	4.2
82.10714	1.9
89.78608	1.9
91.05482	8.5
95.04994	2.6
105.04581	2.8
105.07021	3.9
107.04955	37.5
115.05413	4.6
116.06225	3.8
117.07029	3.2
119.23200	2.2
121.06526	2.4
123.04433	6.9
124.05223	5.8
128.06224	2.8
129.07019	5.7
131.08572	8.3
137.05946	3.7
141.06955	4.1
144.05713	8.4
145.06493	8.5
147.04398	2.3
152.04726	4.5
153.05463	2.4
156.05675	11.3
157.06445	4.2
158.07298	3.2
159.08058	16.9
161.06064	3.2
161.54333	1.9
163.03873	3.4
165.07008	2.3
167.07040	100.0
167.08452	5.0
168.07466	2.2
169.06429	2.3
173.05949	5.3
174.06671	2.1
179.07051	2.8
181.04915	5.6
181.08600	4.5
185.06082	2.3
186.06700	4.5
187.07515	10.4
189.07092	2.8
190.07896	2.2
191.07097	4.2
193.06509	4.2
193.08664	2.1
195.06546	4.4
197.06223	2.3
201.09143	3.8
202.06229	5.5
203.08607	3.7
204.07823	2.9
205.06726	4.0
205.08553	17.2
207.06528	6.6
208.05212	23.8
208.08824	3.7
210.06755	3.1
217.08586	31.9
218.07278	5.1
219.08054	13.7
219.10149	5.7
220.08878	6.8
221.05937	8.0
221.07973	3.8
229.08661	6.2
231.08072	9.3
231.10130	3.0
232.08998	3.1
233.09700	5.5
234.06912	2.6
235.07562	4.7
236.04727	7.1
236.08200	3.6
240.04080	4.3
241.08698	3.4
245.09566	3.6
247.07487	15.0
247.09734	20.5
248.08290	13.6
249.05614	2.4
249.09120	4.9
250.06184	3.0
251.10828	2.2
254.05760	9.3
255.06424	2.5
257.04352	4.5
259.07471	6.2
261.09103	5.6
262.09991	7.7
263.06909	2.9
263.10751	10.9
264.07794	8.0
265.08597	5.8
267.06506	9.8
268.03821	2.2
269.08090	25.8
271.09659	9.2
272.06833	4.6
275.07019	8.3
276.07904	11.9
277.08624	3.1
278.06033	2.1
279.07355	2.2
279.10095	10.9
280.11020	2.7
281.07846	2.8
282.08813	22.8
286.04547	3.4
287.09164	2.9
289.08704	3.9
290.09354	5.8
291.07117	3.0
291.10095	14.5
292.07187	7.2
292.10507	2.3
293.08063	9.5
296.10416	3.6
299.09201	5.2
300.06180	2.4
301.07025	4.5
305.08026	2.7
307.09555	11.6
308.10367	8.1
309.07770	2.7
310.08386	7.9
311.12692	4.4
315.08618	83.5
316.09137	3.8
319.09665	11.0
321.07581	4.3
322.44339	2.2
323.09439	2.8
323.12659	14.7
325.10876	2.6
327.08163	2.4
328.09332	6.1
330.10968	96.6
331.11679	13.4
336.09790	4.7
337.10623	9.7
339.12219	12.3
343.11780	21.9
350.11642	2.5
351.12268	29.7
352.13037	7.4
353.10110	3.9
355.24274	2.8
356.12390	3.5
368.12820	10.0
369.13364	3.9
371.14972	6.8
383.14944	76.5
384.15140	4.4
396.96915	2.9
401.16287	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
69.63987	10.7
78.04713	2.3
79.05492	12.2
85.02876	1.5
91.05475	4.6
95.04976	3.6
103.05453	1.8
106.04163	1.7
106.73143	1.4
107.04964	28.3
114.34190	1.7
115.05450	3.0
116.06242	1.7
117.07008	2.6
123.04453	4.8
124.05214	5.8
125.05995	2.4
128.06233	4.2
129.07018	5.8
131.04984	1.5
131.08600	7.5
132.05713	2.0
135.04443	1.7
137.05998	2.9
138.43887	1.3
141.06969	3.1
144.05710	7.0
145.06494	6.1
147.04404	1.8
150.18912	1.6
151.03941	1.9
151.07545	1.8
152.04628	2.3
153.01781	2.0
153.05414	1.8
156.05707	11.0
157.06480	4.0
158.07291	2.7
159.08043	13.9
161.06020	3.5
167.07040	100.0
168.07341	1.8
169.06470	2.5
170.07323	2.1
173.05998	4.6
175.07654	1.8
177.05473	2.0
179.07079	2.3
181.04939	1.6
181.06496	2.0
181.08572	2.5
184.05186	4.1
186.06740	3.6
187.07510	10.0
187.87564	1.7
190.06204	2.6
190.07829	3.0
191.06987	3.7
191.08572	3.5
193.06686	1.8
193.08667	2.5
195.06482	2.4
201.09114	1.9
202.06158	4.4
202.07855	2.6
205.06737	3.1
205.08598	15.0
207.06410	2.6
207.08153	2.3
207.09976	1.6
208.05170	21.2
208.08809	2.1
209.05956	2.4
209.07950	1.8
210.06738	3.4
211.07402	2.1
215.06937	1.8
217.08580	31.3
217.22614	1.4
218.07190	4.1
218.09087	1.5
219.08008	7.0
219.10196	5.8
220.08894	6.4
221.06119	7.2
221.09596	1.6
228.07794	1.9
229.08546	5.2
231.08061	8.0
231.10094	3.0
232.08836	2.3
233.05945	2.4
233.09804	3.6
234.06772	2.4
235.07475	3.7
235.11275	1.7
236.04646	6.9
236.08290	4.5
236.27852	1.6
237.09047	3.1
239.07121	2.2
240.04254	3.5
245.09596	3.4
246.06709	2.7
247.07486	12.6
247.09695	19.8
248.08238	11.7
249.05637	2.7
249.08928	2.9
250.06213	2.0
251.06989	2.1
254.05722	8.9
256.07266	2.7
259.07465	3.1
260.08289	3.0
261.05615	1.8
261.09061	2.9
262.10010	3.6
263.06985	3.5
263.10733	8.3
264.07822	5.9
265.08554	7.4
266.05658	2.3
267.06601	11.5
268.03625	3.4
269.08066	21.7
271.09622	6.0
272.06750	3.0
275.07001	5.8
276.07654	8.4
277.08505	5.0
278.05661	2.7
278.09100	1.9
279.06918	1.7
279.10004	8.2
281.08035	3.4
282.05612	3.3
282.08871	16.2
285.07587	3.5
287.09174	2.0
289.08408	2.6
290.09375	4.7
291.07050	3.0
291.10165	15.5
292.07315	4.9
292.10583	2.0
293.08112	10.5
295.09909	2.2
299.09109	4.4
300.06357	3.0
301.07205	4.2
304.07230	2.6
305.08118	4.0
305.11530	1.7
307.09619	9.7
308.10330	7.8
309.07706	1.9
309.11151	1.8
310.08206	8.4
311.12805	2.0
315.08618	73.7
316.09131	4.0
318.08755	2.1
319.09634	11.9
321.07501	4.1
321.10931	2.0
323.09341	2.5
323.12723	15.1
324.09924	2.6
325.10693	3.4
328.09290	7.0
330.10956	94.9
331.11462	13.7
336.09808	3.9
337.10678	6.2
338.07486	2.6
338.11304	1.7
339.08719	1.8
339.12314	9.4
343.11755	22.9
351.12268	25.7
352.12958	5.1
353.10300	4.3
356.12637	2.6
368.12598	9.2
369.13376	3.6
371.14859	5.9
383.14896	64.6
384.15158	3.3
401.16101	21.0
402.16223	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.6
55.53885	1.4
63.29912	1.3
68.00258	1.4
75.20096	1.5
78.04707	2.6
79.05491	14.6
81.07127	1.5
91.05457	7.7
95.04958	4.9
107.04954	34.0
111.26029	1.4
115.05471	5.2
117.07021	3.2
121.06469	2.9
123.04366	3.5
124.05212	6.8
125.05970	3.9
128.06238	2.9
129.07025	7.5
131.08554	8.8
141.07002	4.3
144.05708	9.6
145.06468	6.2
149.05885	1.8
152.04704	3.8
155.06046	1.7
156.05678	13.7
157.06485	5.6
158.07286	2.8
159.08066	13.6
161.05994	3.6
163.03989	2.3
165.06906	1.6
167.07033	100.0
169.06422	1.9
173.05949	4.3
174.06718	1.7
179.07036	3.8
181.04958	3.3
181.06429	1.6
181.08601	4.4
183.06531	2.0
184.05142	3.3
186.06783	4.3
187.07521	9.6
189.05501	1.9
190.06247	3.2
190.07835	2.0
191.08508	3.1
193.08652	1.7
195.06477	2.2
195.08136	1.8
197.05972	1.8
202.06233	6.7
202.07898	2.5
203.08629	2.2
204.07806	2.3
205.06606	2.7
205.08572	17.2
205.10184	2.3
207.06470	6.9
207.08194	1.9
208.05193	20.6
208.08601	1.5
209.05852	3.1
209.07886	2.0
210.06708	3.2
211.07605	2.8
215.08672	1.6
217.08585	36.1
218.07268	4.5
219.08076	11.0
219.10240	6.2
220.08882	5.2
221.05928	6.9
226.06326	1.5
228.07800	1.9
229.08510	3.9
231.08133	7.5
231.10100	2.6
232.08989	2.7
233.06006	2.8
233.09657	8.1
234.06787	3.0
235.07568	2.9
236.04680	6.4
236.08340	4.1
237.09007	1.6
238.06432	2.0
239.07039	3.6
240.04185	2.9
245.09503	2.4
246.06758	2.0
247.07501	11.1
247.09712	20.8
248.08330	14.5
249.05333	1.5
249.09111	5.3
250.06389	1.9
251.10739	3.0
254.05716	7.4
255.06302	2.0
259.07532	3.7
260.08237	2.8
261.09073	5.5
262.09860	4.3
263.07364	2.7
263.10666	11.0
264.07883	8.3
265.08578	6.0
266.05829	2.2
267.06534	7.2
268.03677	3.3
269.08109	24.1
271.09769	8.0
272.06686	2.5
275.07062	7.1
276.07858	7.9
277.08606	6.7
278.05914	1.8
278.09116	2.3
279.06790	1.8
279.10110	8.7
281.08170	2.2
282.05280	4.4
282.08856	15.9
285.07693	1.9
287.09384	2.2
290.09409	5.0
291.10126	17.3
292.07397	3.1
292.10748	2.0
293.08194	10.3
293.11279	2.6
294.08734	2.2
295.09659	2.1
296.10403	1.8
299.09161	6.9
300.06241	2.8
300.09805	1.9
301.07016	5.1
304.07327	2.7
305.08011	3.4
307.09628	11.2
308.10403	8.6
309.11014	2.0
310.08444	8.3
311.08981	2.4
311.12585	3.2
315.08597	68.2
316.09122	5.0
319.09564	10.9
321.07571	5.1
321.11145	2.4
322.08319	3.0
323.09219	2.3
323.12723	16.2
325.10587	3.0
328.09354	6.7
330.10968	76.2
330.14929	3.6
331.11676	15.9
335.08868	2.1
336.09906	5.9
337.10663	8.7
338.07898	2.1
339.12286	8.8
340.12878	1.9
341.13794	2.5
343.11740	21.9
350.11465	2.5
351.12244	32.7
352.12851	6.3
353.10181	6.1
356.12549	4.9
368.12537	9.8
369.13147	5.0
371.14777	5.8
383.14874	66.4
384.15292	5.1
401.16040	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.2
55.01850	1.2
65.03947	1.0
70.92500	2.1
72.08147	1.9
78.04718	2.3
79.05490	15.2
81.07053	2.5
83.41641	1.0
85.02892	1.3
86.09678	2.3
91.05476	6.6
93.07047	1.7
95.04969	4.6
103.05447	2.0
105.07092	1.6
107.04220	1.7
107.04956	34.2
109.06543	1.3
113.17646	0.9
115.05453	3.8
116.06246	2.3
117.06983	3.2
121.06518	3.1
122.03623	1.5
123.04406	4.8
124.05239	6.0
125.05972	1.5
128.06212	3.6
129.07016	6.2
131.04938	2.2
131.08556	11.8
132.05693	1.6
133.06447	1.5
135.04362	1.4
137.06024	2.9
141.06978	4.7
143.04964	1.5
144.05719	7.5
145.06482	6.6
147.08083	1.1
149.05957	2.8
149.56606	1.1
151.03915	1.3
152.04680	2.7
153.05460	2.7
155.06020	1.4
155.08521	1.1
156.05693	17.0
157.06482	4.6
158.07251	2.6
159.08044	15.4
161.06017	2.5
163.03891	3.7
165.05574	1.1
165.06944	1.6
167.07036	100.0
168.07402	2.7
169.06456	2.3
169.07698	2.0
172.05173	2.4
173.06013	6.2
175.07475	1.5
176.04826	0.9
177.05473	4.3
179.07045	2.7
180.05739	1.3
181.04945	3.0
181.06487	2.1
181.08557	3.6
182.07422	1.5
183.06506	1.6
183.07980	1.2
184.05203	3.7
186.06807	3.5
187.07571	9.2
189.05481	1.5
189.07074	1.5
189.09125	1.6
190.06233	2.6
190.07803	3.0
191.07030	5.7
191.08604	2.2
193.06540	1.3
193.08571	2.5
193.10237	1.7
195.06505	4.6
198.06883	1.0
201.09044	2.2
202.06140	5.3
202.07834	4.1
203.08594	2.5
204.07785	2.1
205.06610	2.4
205.08534	15.3
205.10283	1.2
206.07185	1.6
207.06479	6.3
207.08258	1.3
207.09967	1.9
208.05199	20.8
208.08810	1.9
209.05760	1.4
209.08020	2.2
210.06749	3.2
211.07585	3.1
214.06310	1.3
215.06920	2.0
215.08717	1.7
217.08588	35.7
218.07332	4.5
218.09216	1.3
219.08008	11.4
219.10190	8.0
220.08768	4.4
221.06044	7.1
221.09706	1.7
223.11092	1.0
224.04593	1.3
225.05435	1.0
226.06227	1.8
227.17639	0.9
229.08585	6.1
230.07237	2.9
231.08043	8.4
231.10223	2.7
232.08994	2.8
233.05972	2.4
233.09657	5.2
234.06734	2.8
235.07527	3.0
236.04643	7.9
236.08376	3.4
237.05565	1.1
237.09131	2.1
238.06259	2.8
239.06993	3.4
240.04105	1.8
241.08644	1.5
244.08925	1.6
245.09677	3.1
246.06752	2.3
247.07475	13.2
247.09703	23.4
248.08231	12.4
248.10419	1.0
249.05475	5.0
249.09042	4.9
250.06190	2.3
251.07117	1.1
251.10649	3.3
253.08546	1.3
254.05737	6.7
255.06346	2.4
256.07159	1.7
257.04416	1.4
259.07617	4.2
260.08319	2.2
261.06705	0.9
261.09061	6.3
262.06555	1.1
262.09860	4.8
263.07086	3.6
263.10663	10.5
264.04089	1.1
264.07834	6.5
265.08466	6.8
266.05743	2.6
267.06561	7.6
268.03619	2.5
269.08063	20.1
271.09698	8.6
272.06863	3.5
273.09195	1.1
275.06955	6.3
276.07819	8.8
277.08649	5.5
278.05725	1.4
278.09238	1.1
279.10077	7.2
280.07486	1.1
280.10754	2.7
281.08188	2.2
282.05243	3.3
282.08875	16.0
284.06885	1.0
285.07544	3.1
287.09186	2.5
289.08362	1.8
290.06198	0.9
290.09290	5.4
291.06891	1.2
291.10129	17.5
292.07272	6.2
292.10565	1.8
293.08054	8.8
294.08698	2.7
295.09744	1.6
296.10321	1.7
299.08984	6.0
300.06274	2.8
300.09708	1.6
301.07059	3.3
304.07333	1.6
305.08023	3.5
306.08713	1.3
307.09625	11.9
308.10486	7.2
309.07587	2.5
309.11215	2.6
310.08298	7.9
311.09183	1.2
311.12936	3.0
313.10626	1.6
315.08603	67.9
316.09198	4.4
318.08817	1.5
319.09619	8.8
320.10327	2.6
321.07492	4.3
321.11136	2.3
322.08200	2.8
322.11765	1.8
323.09204	1.2
323.12726	16.7
324.09802	1.7
325.10764	2.1
328.09399	6.7
330.10965	82.0
331.11627	15.7
335.09073	2.1
336.09839	5.7
337.10617	8.3
339.12253	10.5
340.12796	1.4
343.11728	20.3
350.11563	1.4
351.12253	30.8
352.12982	5.0
353.10355	4.7
356.12521	3.4
368.12576	8.8
369.13275	5.5
371.15082	5.0
383.14877	65.8
384.15161	3.4
397.34998	1.1
401.15991	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55226	3.1
51.67559	3.8
53.03935	13.3
55.01873	8.7
59.04987	8.7
65.03932	6.2
67.05502	7.5
69.03419	12.0
69.58059	29.2
70.06609	6.2
71.01328	4.0
71.04967	6.2
72.08152	4.7
79.05485	28.3
81.03416	22.0
81.07048	9.0
83.04989	12.8
85.02866	10.3
86.09720	8.3
91.05486	23.7
93.03392	6.0
93.07030	10.9
95.04971	62.3
95.08645	4.1
97.02888	17.0
103.05469	13.4
105.04552	3.9
105.07038	10.2
105.97824	4.6
107.04955	100.0
109.02892	80.1
109.06525	10.7
111.03740	3.6
111.04418	19.8
112.95090	3.8
116.06239	3.6
117.99608	5.0
119.08595	6.6
121.06501	18.4
123.04440	27.9
123.33394	3.6
125.02375	27.8
125.06007	5.4
129.05624	4.1
129.06981	6.0
131.04935	7.2
131.08539	4.3
133.02818	4.3
135.04422	58.2
137.05992	10.8
139.03900	56.4
141.05450	5.1
145.06372	4.1
147.04358	5.0
147.08052	14.4
149.05983	30.5
151.03917	41.3
153.05452	10.2
156.05711	6.2
157.04984	5.7
157.06371	5.8
159.04466	7.9
159.08020	5.3
165.04335	5.1
165.05513	46.5
167.03413	6.5
167.07054	59.8
169.05011	11.2
175.07530	10.4
175.90686	4.3
177.05487	80.2
181.04947	30.7
186.51141	4.1
195.06546	23.4
196.09814	5.0
203.05440	6.1
205.08577	7.0
208.05229	3.9
209.08112	26.8
217.08627	6.7
219.08041	7.7
219.10086	5.7
221.08067	6.3
239.09174	23.2
247.07489	4.4
247.09666	8.2
248.08286	8.5
261.09192	6.8
263.10623	5.4
269.08109	5.9
276.07907	4.1
291.10312	7.6
293.08279	6.2
307.09720	6.3
310.08487	4.6
315.08701	22.7
323.12686	5.5
330.10913	24.0
331.11655	5.9
339.12360	5.1
343.11823	7.3
351.12366	6.6
369.11823	12.7
383.14856	37.3
401.07550	6.9
401.12216	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	401.108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.7
54.07523	0.5
55.01867	4.2
55.05505	0.8
55.90368	0.4
57.03415	0.6
61.02919	0.5
65.03939	4.3
67.01127	0.4
67.01861	0.5
67.05499	2.9
69.03428	2.3
69.07076	0.7
70.06588	3.1
70.20047	1.9
70.20386	0.5
79.05488	1.8
81.03426	0.9
82.04191	1.5
84.08160	0.7
85.02910	5.8
86.09697	2.4
91.05477	1.4
93.03382	0.9
95.01328	5.6
95.04448	0.4
95.04973	3.1
97.02879	1.0
97.06519	1.4
99.04414	1.0
103.05466	1.0
105.07030	1.4
107.04948	2.2
108.02113	0.9
109.02854	1.1
109.06470	0.8
110.03661	1.8
111.04430	1.4
115.05446	1.3
116.07098	3.3
116.97700	0.4
117.06998	0.8
121.06543	0.8
123.00792	20.8
123.04442	2.3
125.02329	2.7
125.05987	1.8
126.12748	0.5
127.03877	0.6
131.04932	0.8
133.06482	3.2
135.04366	0.6
137.02255	0.6
137.05966	1.3
138.03088	1.6
139.03897	1.3
139.59419	0.5
140.04668	1.3
141.01825	22.1
142.02640	2.4
147.04385	1.0
149.05969	1.5
151.03856	1.7
153.05466	1.4
155.07028	1.9
159.04483	0.8
159.06531	1.1
160.05240	0.5
161.05997	3.5
165.05479	1.2
167.07047	2.9
169.01323	1.7
171.06548	4.2
173.09207	3.7
177.05469	3.3
179.07018	0.6
181.04951	100.0
182.05310	1.7
188.04654	0.7
189.05463	2.5
193.08652	0.8
198.03069	0.5
201.12312	1.3
203.05254	3.8
203.07004	0.9
207.06462	0.9
209.08078	5.5
217.04976	0.5
221.08052	1.9
231.06517	1.9
237.07614	0.6
245.04489	0.9
249.07588	2.2
253.07028	0.5
259.06039	1.0
277.07068	6.9
291.08539	0.9
295.08038	1.5
305.06540	24.5
306.06857	0.6
315.08582	1.0
323.07736	2.4
325.09235	1.4
327.10687	0.8
330.10889	1.4
343.11722	0.6
347.07645	0.6
383.14975	1.3
401.13968	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	401.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	7.4
55.01865	9.6
55.05510	5.0
59.05001	3.1
63.96527	2.5
67.05495	11.3
69.03407	9.8
70.06591	5.8
71.01338	3.7
71.04976	3.9
71.43217	4.3
72.51637	2.5
73.02909	4.7
79.05491	42.1
81.03400	10.0
81.07052	12.5
83.01357	4.1
83.04967	3.1
85.02901	7.7
86.09703	7.3
87.04488	3.0
91.05476	11.5
93.07032	10.4
95.01323	5.6
95.04956	30.9
95.08599	4.4
97.02895	12.4
101.02327	3.2
103.05466	12.4
105.04466	2.9
105.07019	5.2
107.04951	100.0
109.02871	52.5
109.06525	15.6
111.04423	7.8
112.18864	2.5
115.05413	3.1
119.03344	2.8
119.04887	2.7
121.06496	11.7
123.04409	15.6
125.02346	9.4
125.06001	4.0
127.03905	3.4
129.06972	2.8
131.04897	5.4
131.08511	5.4
133.06435	3.4
135.04408	40.5
137.05968	10.7
139.03886	24.7
139.07533	4.7
141.05461	3.7
141.06952	4.7
144.05675	2.8
149.05975	19.1
151.03899	27.1
151.07417	4.0
153.05470	28.7
156.05713	5.8
157.06476	2.9
159.08041	8.6
163.07483	2.5
165.05460	31.1
165.09094	5.6
167.07031	73.4
169.04869	4.2
173.05948	4.2
175.07541	3.3
177.05457	47.5
179.06970	16.1
181.04956	44.0
187.07481	4.2
191.07033	6.7
195.06487	29.2
195.08089	3.7
203.01924	5.8
205.06644	3.2
205.08553	5.4
207.06563	4.5
208.05235	5.8
209.08075	31.6
217.08607	9.7
219.08041	5.5
219.09996	3.7
231.08093	4.4
237.56538	2.6
239.09309	3.1
247.07529	7.6
247.09767	4.8
248.08330	5.9
254.05756	4.2
263.10760	6.3
265.08780	2.9
267.06522	3.8
269.08038	9.5
276.07803	3.6
277.08533	3.4
279.10043	5.8
282.08862	4.9
291.10107	7.7
293.08209	4.4
294.19070	2.7
307.09619	6.8
308.10303	3.5
309.06213	3.1
310.08536	3.8
315.08640	31.7
323.12781	5.6
325.05417	5.0
327.07022	8.6
330.10965	29.8
331.11588	3.3
337.10437	3.7
339.12280	4.2
343.11667	12.5
351.07416	5.4
351.12222	14.1
356.12064	3.6
368.12640	5.2
369.08160	20.4
369.12286	3.2
371.14563	3.5
383.10089	5.5
383.14859	34.6
401.16278	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	400.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	13.1
54.31377	3.8
55.01850	10.0
55.05500	6.0
57.03411	8.2
57.07064	3.7
58.27695	4.0
61.02929	5.3
65.03934	5.8
65.57062	4.0
67.05495	7.9
68.78004	4.2
69.03413	17.0
70.06581	8.3
71.04990	9.6
71.49680	5.2
79.05129	4.6
79.05499	40.4
81.03411	23.0
81.07041	29.6
82.06565	10.2
83.04963	9.5
84.67509	3.7
85.02901	34.2
87.04462	7.4
91.05485	36.9
93.07024	7.4
95.04967	15.6
97.02904	23.4
97.06557	4.2
98.06017	8.4
99.04467	7.2
103.05482	9.6
105.07006	11.0
106.06553	5.5
107.04950	100.0
108.04489	30.6
108.53145	3.9
109.02864	4.6
109.06508	67.7
110.06007	5.1
111.04425	9.7
112.07606	16.2
114.05508	6.7
115.81244	3.6
117.06993	8.8
118.06538	4.6
119.04935	12.7
120.08120	4.3
121.06458	8.0
122.06032	5.3
125.04730	11.2
126.05452	4.8
127.03905	17.6
130.06587	4.7
131.01917	6.6
131.04868	7.3
131.08588	4.6
132.08080	10.1
133.06520	5.4
135.04378	8.9
135.07942	5.2
136.03955	8.9
137.05983	41.1
139.03886	21.6
140.07050	55.0
141.85120	3.9
146.06055	5.4
147.04358	11.6
149.05949	10.9
150.05501	15.5
150.09138	5.3
151.07506	10.7
153.05482	12.7
154.04997	4.5
155.06985	8.2
160.07639	5.1
160.45844	4.2
161.05957	4.8
163.04033	4.3
165.05466	34.4
166.08607	4.6
167.07057	31.6
168.06523	35.6
169.08571	20.2
178.08643	14.4
185.03078	4.6
192.10255	6.3
193.08591	8.6
194.09422	14.2
196.09723	23.6
197.08179	8.7
203.55600	4.3
209.08049	7.8
209.10445	5.5
219.01373	4.5
220.09535	28.0
237.11220	6.6
238.08237	7.2
238.10651	49.4
249.72923	3.8
251.04118	5.1
251.06760	4.3
282.20468	4.5
287.06393	6.3
309.04553	7.2
312.10083	6.2
330.10822	5.1
346.14221	3.9
355.16473	19.5
400.15683	6.9
401.16998	56.2
411.11313	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	400.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34372	2.2
53.03935	2.8
57.03419	2.3
60.22472	1.9
61.02901	2.2
69.03426	9.7
69.60796	13.6
72.04517	18.6
79.05483	7.0
81.03433	13.2
81.07069	2.7
85.02889	13.9
87.04444	2.6
91.05476	4.1
94.06539	7.3
95.04945	5.4
97.02888	20.3
98.06000	2.3
105.07014	3.3
107.04953	100.0
107.08599	2.2
108.05230	2.5
109.02834	3.8
109.10249	1.9
114.05531	16.6
117.47330	2.4
120.08047	2.5
121.06489	5.8
122.06035	19.3
123.04408	2.8
123.06810	2.8
124.03940	6.6
126.05487	2.9
127.03863	2.8
129.06883	2.5
131.08504	2.7
135.04382	2.3
140.07030	3.2
147.08055	2.5
148.07568	8.5
148.42891	2.1
149.05960	2.0
150.05505	49.6
150.09070	2.1
152.07057	2.8
166.99033	2.2
168.06561	43.1
170.08051	2.0
174.09148	5.7
175.07478	2.8
176.07066	8.6
176.10718	2.9
178.08617	2.0
192.10146	4.6
194.08124	5.3
201.32433	2.1
202.08595	6.7
203.06979	3.2
220.09676	50.5
221.08038	2.8
221.10023	2.5
238.08437	4.1
238.10732	54.8
285.07672	2.1
399.35974	2.0
400.15790	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	399.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35400	0.7
53.03936	1.9
55.01856	1.2
57.03431	7.8
61.02910	2.6
69.03429	10.3
70.65008	1.6
71.04971	1.6
73.02924	1.5
77.03899	0.9
81.03421	5.4
82.22538	0.7
85.02899	26.5
87.04439	2.0
91.03934	1.5
95.04959	0.7
97.02888	9.2
99.04414	2.2
100.22379	0.7
102.04716	1.1
103.03979	1.5
103.05463	54.2
104.05763	1.8
105.07047	1.1
107.04955	1.1
109.02859	3.4
117.05518	1.4
120.73102	0.7
127.03917	7.1
130.04132	1.0
131.04924	100.0
132.05275	2.2
133.06462	1.5
145.04955	3.6
148.05185	11.9
150.05403	0.8
158.07253	0.9
160.05130	1.0
161.05968	3.3
163.07533	44.4
163.18533	0.6
163.36110	0.7
164.07956	0.9
175.07564	1.3
187.07564	0.7
188.13475	0.7
201.09152	2.1
237.11278	1.6
329.59338	0.7
371.49826	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.9
55.01873	5.4
55.05519	4.1
56.86406	1.5
57.03442	2.9
57.89854	1.5
65.03931	2.8
67.05502	14.1
69.03430	5.9
69.91639	7.5
70.06600	1.7
71.01347	2.6
71.04991	2.9
71.60285	1.4
75.06940	1.6
78.32140	1.5
79.05496	64.3
81.03427	4.5
81.07065	4.8
83.01368	4.2
85.02926	10.1
86.09711	8.4
91.05494	35.2
93.07063	8.2
95.04982	30.1
95.08598	2.1
96.93956	1.7
97.02934	4.0
103.05474	2.6
105.03386	2.1
105.07039	20.4
107.04964	100.0
107.08597	52.1
107.09312	3.2
109.02885	2.3
109.06529	9.3
109.10250	1.9
115.05466	6.8
116.06250	3.6
116.07070	1.9
117.07005	13.7
119.04910	2.7
119.08617	2.4
121.06516	7.2
121.10152	3.3
123.04443	10.3
127.11244	1.5
129.07008	6.4
131.04974	3.1
131.08582	33.1
133.06503	2.0
133.10153	5.7
135.04425	61.4
135.08058	60.9
136.04707	2.0
137.06024	9.1
139.03923	10.3
141.07054	6.5
143.11852	1.8
144.05727	4.3
145.06416	2.7
149.06021	2.0
149.09648	7.3
151.03900	18.8
153.05481	22.5
159.08032	19.6
161.05978	2.0
163.07501	3.6
165.05484	80.0
167.07043	28.0
169.06493	1.9
177.09119	14.1
181.04990	3.5
183.06517	13.6
187.07558	20.0
205.08586	28.4
205.10367	2.2
219.10165	10.6
237.11220	30.2
257.20746	2.1
279.10190	2.3
399.14722	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	6.5
55.01867	13.0
55.05497	5.3
56.96562	14.9
60.74481	3.7
61.66845	3.5
65.03944	3.7
67.05518	6.4
67.21281	3.8
69.03423	13.2
69.74950	3.0
69.75288	22.6
72.08161	13.2
73.02928	5.1
79.05496	20.7
80.05025	8.8
81.03426	11.6
81.07063	10.1
83.01354	5.5
84.96044	8.2
85.02911	26.2
87.04467	12.6
91.04980	3.2
91.05463	23.5
95.04972	11.3
97.02898	12.3
98.20769	6.3
98.97587	31.6
103.05476	7.6
105.03404	5.6
105.07030	13.7
106.06566	10.6
107.04947	18.4
108.08122	5.5
109.02924	5.3
109.06538	4.1
110.97608	3.7
115.05458	8.8
116.98604	13.5
117.07018	6.0
117.85198	3.4
119.04934	7.3
124.07590	32.1
127.03923	5.6
128.06210	9.3
129.07008	13.9
131.04933	15.1
133.02789	5.0
133.06487	3.2
134.99611	7.0
135.04410	8.9
137.05975	9.6
138.05496	11.0
139.03879	9.0
141.06998	10.1
143.08551	7.1
144.05745	4.2
145.06473	11.5
151.03914	10.8
152.06238	5.9
153.05591	5.5
153.06967	15.8
154.07750	5.9
155.04939	6.3
155.08562	8.1
157.06502	12.3
158.06375	14.5
158.99706	10.7
159.04454	9.7
159.08093	5.0
165.05498	89.0
165.06990	26.0
166.05873	6.1
166.07755	14.7
167.07054	22.4
167.08566	14.8
168.05650	4.3
169.06503	7.4
170.07477	4.0
173.05933	5.0
175.04012	4.3
175.07504	4.0
177.00745	12.8
178.07764	14.3
179.07050	7.9
179.08588	18.7
180.09341	6.3
181.05023	8.2
181.06520	24.4
181.10104	10.9
182.05002	8.3
182.06451	2.9
182.07312	4.2
183.05394	5.5
183.08083	8.2
185.05949	10.1
187.07590	4.7
189.05460	17.9
189.06938	7.1
190.07797	22.8
191.07019	7.2
191.08577	23.3
193.10121	9.2
194.07272	9.9
195.06505	4.9
195.08080	14.3
197.06032	7.1
201.05522	4.3
202.05972	3.6
202.07825	7.3
203.06931	8.8
203.08633	9.4
205.06564	4.6
205.10071	25.2
207.08069	16.5
207.11824	3.8
208.08833	7.6
209.06020	16.5
209.09532	22.5
211.07565	23.0
213.05476	5.9
215.06850	6.1
215.08678	22.5
217.08601	9.8
218.07335	15.0
219.08055	16.3
221.06067	5.0
221.09648	8.4
223.07681	8.4
223.11172	14.1
225.05525	3.9
227.06999	4.7
231.08119	7.1
233.04482	5.2
233.09628	31.9
235.07584	12.4
236.08310	3.6
237.03055	6.8
237.05510	9.7
237.09145	26.6
241.08624	10.6
243.06248	6.8
243.08301	4.3
247.07600	12.6
249.00826	4.2
249.09131	5.5
251.07056	4.5
251.10649	17.4
253.08696	7.7
254.08533	7.8
255.06531	5.4
261.09207	24.8
263.07071	12.6
263.10269	4.6
265.08597	66.6
266.05676	3.9
267.06653	8.8
267.10709	11.9
269.08264	7.9
269.11517	8.4
271.09625	6.1
273.16724	3.8
277.08359	3.9
279.06940	5.8
279.10205	36.2
280.10419	3.8
281.08145	12.5
289.08508	23.9
293.11813	7.2
295.09601	6.3
297.07617	10.8
297.11234	35.1
298.08350	6.2
303.10233	4.5
307.09558	31.1
309.12500	4.6
311.12952	5.1
313.10577	8.9
317.07892	8.3
318.08636	7.2
321.11249	15.8
325.10513	4.3
329.10239	6.1
335.09192	27.6
339.12308	39.9
340.12622	4.8
349.10791	14.3
355.16925	4.5
367.11722	70.8
371.14798	10.0
381.13431	11.4
399.14835	100.0
400.14294	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	399.1262
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.7
55.05507	0.8
56.05041	0.7
56.96562	3.3
57.03426	0.5
69.03429	2.5
69.20911	1.2
69.21309	4.6
70.06570	0.8
71.08639	0.9
73.02906	1.4
81.03429	1.7
83.04976	0.5
85.02911	4.4
91.05499	0.6
97.02885	5.9
98.97588	5.6
101.00865	1.3
102.05521	1.1
105.07029	0.6
107.04973	1.1
107.58040	0.5
109.02852	0.5
109.06518	0.6
110.97614	0.9
111.04441	0.8
113.00903	0.5
115.03917	0.6
116.98624	3.4
118.01161	1.3
119.01917	5.5
119.04952	0.9
127.03078	0.6
127.03947	1.2
128.98648	1.4
131.01913	3.3
131.04956	0.6
133.03326	0.7
133.06592	0.9
134.99683	1.6
136.06194	3.1
137.02939	0.9
137.05978	7.7
137.06943	0.6
142.01242	0.6
143.01915	2.1
145.03493	2.5
145.05034	0.6
146.06129	0.7
146.99681	1.8
147.03317	1.0
147.04446	2.4
147.06577	0.6
155.01901	2.1
156.02710	1.4
157.03494	0.9
158.99687	0.8
160.02173	1.3
161.02989	3.6
163.03967	0.5
168.02716	0.9
172.02315	0.5
173.03004	3.2
177.00809	1.3
178.01173	0.8
179.02100	0.6
179.07037	2.7
181.03456	1.0
183.05048	0.5
184.02295	1.0
185.02924	1.1
195.05038	3.7
196.02213	2.2
196.05083	0.6
197.03011	1.1
199.04572	1.2
203.04041	1.6
211.04361	0.6
213.06154	1.3
219.01884	2.1
219.05031	2.7
219.07648	0.5
221.04993	3.9
223.04488	0.9
225.06160	2.0
227.07600	0.6
231.05081	0.7
237.02753	5.2
237.05893	3.8
240.04858	1.0
243.07187	3.9
244.04295	14.8
244.06598	0.8
245.04912	0.9
246.03593	0.6
247.04636	1.1
249.06143	1.7
250.09293	3.0
251.04297	0.5
251.07777	1.2
255.07251	1.1
259.04562	1.0
261.06219	2.0
262.05396	2.6
264.04877	2.0
267.07224	0.8
274.97543	1.0
279.04294	0.9
279.07178	3.7
281.08646	0.7
287.06348	0.5
291.07117	0.9
292.98749	1.1
293.08722	0.9
297.08319	4.2
307.06726	1.7
309.08395	1.7
315.09308	0.6
321.08252	2.2
333.08163	0.7
339.09299	4.1
348.06900	12.0
349.07269	0.7
357.10428	0.7
363.09235	3.8
366.07990	2.6
369.10342	3.1
381.10345	9.2
382.11035	0.8
399.12622	100.0
400.12946	2.4
417.12387	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1048
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58385	1.6
61.02903	2.2
69.03432	4.6
71.01048	3.5
71.01391	2.8
73.02908	5.0
85.02915	4.2
97.02902	6.1
100.60531	1.8
101.00864	2.6
103.02296	2.0
119.01920	4.0
131.00171	3.2
131.01944	2.7
136.06187	2.7
147.03125	4.2
149.01242	5.5
156.03644	11.3
161.02888	4.5
163.03966	3.5
167.02222	2.4
167.08755	2.0
191.96286	2.2
221.05104	2.8
228.05640	29.0
228.55896	2.4
237.06097	9.8
244.04297	2.1
262.05988	2.0
297.08353	7.5
339.09741	5.7
369.10706	2.4
381.10419	4.4
399.12622	100.0
400.12292	4.2
417.12195	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	398.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44851	1.7
55.01867	2.7
55.05506	1.8
57.03434	45.8
59.11381	1.7
59.50579	1.8
60.67681	1.9
61.02924	15.2
69.03426	40.1
69.03780	3.4
69.07072	14.3
69.18543	18.8
71.01349	4.8
73.02915	94.2
79.05506	3.1
81.03423	7.6
81.07048	9.6
83.04961	2.0
84.04504	3.4
85.02903	100.0
85.06544	4.1
87.04481	6.5
91.03954	3.6
91.05471	3.2
93.07052	7.7
95.04965	2.6
95.08605	3.9
97.02888	66.1
99.04443	4.1
99.08120	2.1
103.03966	3.8
103.05479	2.4
105.07079	2.5
107.08563	3.8
109.02905	8.6
109.06518	2.1
111.04444	3.1
111.08077	9.3
115.03927	64.6
117.07014	2.2
119.04951	2.1
121.06497	3.7
123.04545	2.5
123.08075	2.5
127.03911	32.7
131.08543	3.8
132.06567	3.4
133.04950	20.2
133.06480	2.1
135.08083	5.5
137.09637	3.2
139.03836	2.7
145.04955	60.5
147.08075	4.5
149.09589	2.4
150.07602	8.0
153.09132	7.0
161.05975	2.5
163.03870	5.3
163.06012	55.0
163.07420	2.8
165.09129	5.1
175.06050	2.9
176.48759	1.9
177.09160	4.5
180.08777	3.2
183.10204	8.1
193.05066	2.9
195.06490	2.5
195.10152	14.7
201.11279	6.5
206.08104	2.7
213.11227	14.2
223.06075	5.5
231.12201	3.3
235.05766	2.2
241.07153	7.7
249.13330	3.7
259.08133	10.5
295.10266	6.1
377.55310	2.0
398.11130	5.3
398.19568	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	397.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.7
67.05498	2.5
69.95176	8.5
79.05486	3.2
81.03381	2.0
81.07040	3.1
91.05479	10.8
94.04180	1.7
95.04994	2.2
95.08641	2.0
97.06516	2.1
103.05459	6.0
105.07024	3.5
107.04953	1.8
115.05437	5.0
117.07011	5.0
118.06537	42.4
118.47638	1.8
119.04922	6.8
119.08632	2.5
121.06478	1.9
122.03615	6.1
128.06224	3.8
129.06978	7.8
131.04916	5.2
131.08537	3.6
133.02853	4.3
133.06366	1.9
137.05978	85.9
141.06985	4.5
142.06554	3.4
142.07675	2.1
143.07327	3.6
144.05696	3.5
144.08081	16.4
145.06490	3.2
146.06006	82.4
147.04419	3.9
149.05969	5.2
151.07509	12.5
151.84576	1.6
153.07010	3.5
154.07654	1.8
155.08572	4.0
157.06473	4.7
157.10291	2.4
158.07323	2.9
159.08038	6.4
160.05231	1.6
161.05959	10.4
165.05580	2.6
165.06976	4.2
167.08556	2.9
169.06525	3.0
170.06029	6.2
170.07326	2.2
171.08073	4.5
172.08762	2.3
173.09605	2.6
174.06731	2.8
175.07532	6.6
178.08649	36.3
181.06509	2.4
182.07272	7.1
183.08145	3.1
185.05933	1.8
185.09648	7.1
186.06744	2.2
187.07555	8.5
188.07066	54.5
189.07401	2.3
189.09093	3.8
191.07027	6.2
197.05946	2.2
197.09602	9.9
198.06747	13.0
199.07550	7.8
200.08281	2.1
201.09120	6.0
202.09741	2.3
203.08551	2.1
203.10475	1.6
210.06886	4.8
210.11252	74.8
211.07549	5.0
211.11633	3.1
212.08252	3.6
213.09114	19.0
214.09616	2.3
215.10696	5.5
217.08566	3.5
225.09102	11.3
229.08417	2.3
231.08125	2.3
234.06723	2.0
235.07608	1.9
237.09052	2.0
243.08102	3.2
243.10208	16.9
245.09576	3.1
247.07468	4.0
248.08188	3.1
249.09129	1.9
255.10210	8.0
257.09534	3.1
259.07516	3.8
261.09125	5.6
262.10052	1.6
264.07751	2.3
265.08728	1.9
273.11252	56.1
274.09372	1.9
274.11981	2.0
275.10626	5.0
276.07709	5.5
276.10727	1.9
277.08575	6.5
277.11890	1.6
278.09402	2.5
285.09253	3.2
287.07156	1.6
287.10492	2.0
288.07748	2.2
289.08835	3.5
289.12042	3.7
290.09412	2.8
291.10083	7.1
292.07281	4.1
292.10611	2.2
293.08023	4.1
293.11703	4.3
301.08652	3.6
302.09259	2.7
303.10175	5.1
304.07349	1.6
304.10666	1.9
305.11789	3.9
307.09509	10.6
308.10425	6.0
309.11188	3.7
309.14828	1.7
317.11746	6.1
319.09491	4.4
320.10403	2.9
321.11246	6.0
325.10733	3.7
333.11136	5.1
335.12778	8.5
336.13419	4.6
339.12268	3.6
347.12918	2.0
349.14365	6.9
351.12280	14.2
353.13873	3.1
354.14597	20.5
361.14276	3.7
366.14639	2.0
367.15555	3.7
379.15390	11.8
397.16605	100.0
398.17090	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	397.1643
Annotation	Ponganone VI
Peak:m/z	Relative Intensity
59.78991	1.4
63.93807	1.2
70.61026	3.8
70.61392	1.5
72.77041	1.5
79.05483	3.2
81.07037	3.3
86.09682	1.3
91.05459	11.0
93.07040	1.5
94.04182	3.3
95.04963	3.0
96.60662	1.4
97.02905	1.6
97.06490	1.8
98.21435	1.4
103.05447	2.4
105.07015	3.0
106.73139	1.1
107.04959	3.9
109.06505	2.4
110.25245	1.2
115.05473	2.6
116.06312	1.3
117.07044	1.7
117.07973	1.3
118.77663	1.1
119.04915	6.7
119.08628	1.5
121.06457	3.2
122.03629	5.8
128.06180	2.2
129.06998	5.5
131.04927	3.0
131.08548	4.0
133.02852	7.3
133.06531	2.2
137.05971	89.6
137.90453	1.3
138.06276	1.4
141.06978	5.5
142.07820	1.6
143.08513	2.0
144.05705	2.8
144.09421	1.5
145.06465	2.3
147.04448	2.8
149.05998	7.0
151.07541	10.5
152.06148	1.6
153.07034	2.1
154.07777	2.0
155.08598	3.9
157.06477	3.8
158.07263	3.9
159.08099	6.8
161.06003	9.9
161.09586	4.5
163.07556	2.7
165.06993	3.5
167.08545	2.6
169.06496	3.4
170.07234	2.1
171.08078	4.0
172.08748	4.0
174.06667	1.5
175.07509	5.8
179.08597	1.4
181.06520	3.6
182.07265	7.2
183.08012	4.9
184.05237	1.8
184.08800	2.5
185.06010	2.0
185.09630	7.1
186.06725	2.9
187.07588	8.7
187.11269	2.2
189.09097	3.0
189.12802	3.3
191.07074	6.2
191.08586	1.6
194.07333	3.8
195.08095	3.7
197.03325	1.5
197.06041	2.2
197.09650	8.8
198.06749	14.9
199.07518	8.7
199.11249	2.2
200.08347	3.4
201.09103	4.2
203.08669	2.1
203.10565	2.2
205.08583	1.9
209.09618	2.5
210.06758	3.8
211.07516	3.6
212.08362	4.1
213.09076	23.2
215.08809	1.8
215.10689	5.6
215.64615	1.4
217.08498	1.9
224.08417	1.7
225.09152	12.2
227.10620	2.6
229.08374	1.8
229.10300	2.7
231.08040	2.2
231.10126	2.5
233.09598	2.0
236.08421	1.6
237.09036	1.7
241.08238	2.0
243.07938	2.0
243.10146	19.2
245.09604	5.2
245.11803	2.2
246.10254	1.5
247.07495	2.4
248.08455	1.6
255.10268	6.9
257.09540	2.5
258.06464	1.5
259.07538	2.3
259.11359	1.6
260.08234	2.3
261.09109	6.0
262.09750	2.2
264.07727	2.9
265.08606	3.8
271.07623	2.4
273.11264	54.8
275.07144	1.6
275.10620	4.5
276.07895	3.0
276.11728	1.4
277.08554	6.2
277.11520	1.6
278.09283	2.8
279.10022	1.5
285.09134	3.8
286.09769	1.6
287.07083	2.2
287.10516	3.2
288.07751	2.3
289.08600	4.5
289.11929	2.6
290.09338	3.5
291.10281	6.4
292.10706	2.2
293.08035	4.2
293.11719	4.6
301.08517	2.2
301.11938	1.7
302.09268	2.1
303.10175	8.4
304.10864	2.5
305.08429	2.3
305.11749	5.3
306.09009	2.2
307.09610	9.9
308.10379	6.9
314.09344	1.4
315.10202	2.3
316.11002	1.7
317.11813	4.9
318.08997	1.9
318.12451	2.2
319.09695	2.2
319.13345	4.6
320.10355	2.6
321.11203	8.3
321.14536	1.6
322.12131	1.6
325.10590	3.2
333.11166	5.3
334.11938	2.6
335.12723	7.3
336.13437	4.7
337.14331	3.2
339.12299	4.9
347.12833	2.9
348.13361	1.8
349.14236	5.0
351.12192	13.9
353.13864	4.1
354.14636	19.0
361.14252	2.3
365.13846	3.0
366.14502	2.4
367.15430	4.4
379.15393	18.6
379.19818	2.4
397.16461	100.0
398.16794	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	397.1644
Annotation	Predurallone
Peak:m/z	Relative Intensity
55.01840	1.7
63.66608	1.4
69.03445	1.7
71.51255	1.6
79.05503	2.6
85.02901	3.1
91.05493	12.8
94.04192	1.9
95.04962	3.2
103.05461	3.8
105.07021	4.6
107.04952	3.0
109.02921	1.9
113.64559	1.6
115.05441	3.1
117.06982	1.9
119.04943	5.9
119.08562	2.1
121.06572	1.6
122.03636	5.5
125.05967	2.0
128.06235	2.6
129.07011	7.9
131.04932	3.5
131.08539	8.0
133.02843	6.8
133.06458	1.9
137.05977	79.8
138.05473	3.5
141.07010	3.6
142.07771	3.3
143.08560	2.8
144.05653	4.2
145.06464	3.5
147.04420	2.6
149.05965	5.9
151.03891	1.7
151.07571	8.2
153.07025	3.0
154.07623	1.7
155.08600	3.1
157.06482	4.4
158.06053	3.0
158.07277	4.4
159.08028	6.8
160.05061	2.3
161.05956	13.0
161.09624	1.7
163.07526	2.9
165.06993	4.0
167.08542	3.3
169.06418	3.7
170.07205	2.1
171.08047	3.6
173.05902	2.0
173.09727	1.9
174.06735	3.1
175.07544	5.8
181.06454	3.1
182.07266	6.9
183.08002	4.3
184.08774	2.4
185.05969	2.4
185.09645	7.7
186.06726	2.7
187.07526	6.3
189.09157	2.7
189.12794	2.0
191.07008	4.3
194.07323	2.6
194.86873	1.6
195.08055	3.3
197.05989	2.3
197.09615	10.8
198.06744	14.6
199.07454	8.5
199.11156	2.3
200.08328	2.8
201.09135	3.4
202.07703	1.5
210.06766	2.9
211.07498	5.6
212.08313	4.6
213.09091	20.2
215.07077	1.9
215.10622	9.5
225.09061	11.8
227.10704	2.4
228.07759	2.0
231.08011	2.9
232.08965	2.0
242.09383	2.3
243.10106	21.6
245.09573	3.6
245.11815	2.7
248.08296	1.8
255.10069	5.6
257.09680	2.7
260.08331	1.8
261.09161	3.7
264.07993	2.6
265.08621	2.1
273.11234	74.4
275.10660	3.0
276.07919	3.0
277.08609	2.9
277.12057	2.7
285.09122	3.3
288.07849	2.3
289.08575	4.0
289.12094	2.0
290.09488	2.0
291.10196	5.0
292.07312	2.2
293.08099	4.9
293.11539	2.9
301.08463	2.0
303.10052	3.6
305.07944	1.7
305.11581	2.8
307.09616	8.5
308.10428	2.2
317.11810	2.8
320.10312	3.2
321.11334	4.8
322.12155	2.0
323.12863	2.7
334.11847	1.8
335.12900	3.8
347.12769	2.6
349.14334	7.2
351.12436	6.7
353.13666	3.7
354.14551	10.4
361.14127	1.8
367.15518	5.0
379.15311	9.5
397.16467	100.0
398.16727	5.6
399.59308	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1102
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03390	0.6
85.02889	1.5
96.27339	0.6
98.59883	0.5
100.44876	0.5
107.05013	0.8
108.13300	0.6
125.02300	0.8
126.99181	0.7
146.05948	0.7
147.00546	1.6
151.53902	0.5
165.01643	3.9
185.04224	1.9
203.05255	1.7
217.04712	2.9
235.05766	38.1
255.08421	10.3
316.65887	0.6
353.12027	1.3
388.67542	0.7
397.11011	100.0
398.11136	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	397.1645
Annotation	Predurallone
Peak:m/z	Relative Intensity
50.28118	1.6
57.02037	1.7
69.03415	2.4
69.37350	14.2
73.92432	1.6
79.05489	2.6
81.07059	3.6
84.00027	1.6
85.02898	2.9
91.05473	14.2
94.04146	3.2
95.04966	1.7
98.20833	3.7
101.81528	1.6
103.05452	4.5
105.07049	6.0
107.04943	3.8
109.06505	4.7
110.28462	1.9
115.05442	4.2
117.03347	1.6
117.07013	2.6
119.04945	6.0
119.08524	1.7
121.06498	2.3
122.03629	6.1
122.07645	1.6
124.57192	1.5
126.05090	1.4
127.07553	1.7
128.06203	6.8
129.07007	10.7
131.04935	5.3
131.08580	5.8
133.06499	2.6
133.10153	2.4
135.04520	1.9
136.05118	2.0
137.05971	100.0
138.06343	3.4
141.06946	4.2
142.07829	3.1
143.08543	3.1
144.05757	3.6
145.06493	2.7
147.04375	6.0
149.05962	8.1
151.07561	11.0
152.06169	3.0
153.06897	2.7
155.08525	4.0
157.06477	5.0
157.10112	1.8
158.07298	3.3
159.08073	8.5
161.05978	11.3
161.09593	3.3
165.07007	4.8
167.08548	4.4
169.06433	2.7
170.07289	3.6
171.08083	6.7
172.05217	2.1
172.08830	4.2
173.09656	3.0
175.07535	4.1
176.21994	1.8
181.06474	2.4
182.07256	9.0
183.07956	5.7
184.05281	2.7
184.08855	3.9
185.05957	2.7
185.09578	9.5
187.07524	7.2
187.11200	2.7
189.09140	4.4
189.12683	3.4
191.07002	8.6
194.07213	2.7
195.08008	2.9
197.05893	2.0
197.09676	7.8
198.06738	16.1
199.07510	12.4
199.11171	2.1
200.08252	2.7
201.09145	5.5
202.07791	2.3
210.06726	3.2
211.07539	4.9
212.08290	6.4
213.09109	26.6
215.08728	2.8
215.10632	7.0
217.08495	2.7
217.15785	2.2
224.08366	1.9
225.09096	12.5
227.10683	2.8
229.10306	2.9
231.08028	3.2
232.08792	2.6
233.09546	3.1
234.06767	1.9
236.09055	1.8
243.07985	2.9
243.10135	20.0
245.09584	5.6
246.10345	2.2
247.07561	3.4
247.10950	2.9
248.08296	2.7
255.10138	10.1
257.09470	3.7
258.10370	2.6
259.07513	2.8
259.11188	2.0
260.08371	2.6
261.09116	6.8
262.09897	2.9
263.06973	2.6
263.10757	2.5
264.07742	3.6
265.08676	5.1
271.07672	3.0
273.11261	55.4
274.09457	2.3
275.10730	7.3
276.07758	5.3
276.10678	1.7
277.08627	6.6
277.11752	1.8
278.09308	3.5
281.08405	1.6
285.08987	2.5
287.07169	2.3
287.10577	2.8
288.07712	2.6
289.08502	5.8
289.11923	2.0
290.09262	4.6
291.10101	10.5
292.07385	5.0
292.10837	3.9
293.08072	7.1
293.11722	5.3
301.08490	5.3
302.09183	4.1
303.10037	8.1
304.10617	2.9
305.11743	6.5
306.08673	4.7
307.09735	16.0
308.10294	7.3
309.11359	2.2
317.11588	2.8
319.09689	5.0
319.13290	2.8
320.10492	3.5
321.11124	10.2
322.11728	2.3
323.12692	3.3
325.10748	2.8
329.11542	2.3
331.09549	2.9
333.11200	5.3
334.11935	4.5
335.12732	9.3
336.13504	4.7
337.14194	3.3
339.12192	6.1
346.11984	3.6
349.14233	6.7
351.12222	19.7
353.13712	3.6
354.10254	1.4
354.14627	31.7
355.14938	1.8
361.14316	4.1
365.13760	3.2
367.15393	4.8
379.15323	17.8
380.15652	2.4
397.16409	99.3
398.16901	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	395.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52768	1.2
51.82253	0.9
52.49150	1.0
53.30371	1.1
54.80894	1.1
55.05495	3.1
57.07074	35.4
60.04500	1.2
64.77040	1.2
67.05514	6.0
69.07065	6.4
69.37799	10.2
71.05003	1.7
71.08629	47.8
73.06550	7.6
79.05477	1.8
81.07049	4.8
83.08613	1.6
86.09702	1.4
87.04454	2.6
89.06026	100.0
90.06355	1.2
91.05466	1.7
93.07047	3.1
95.04971	2.5
95.08590	2.8
98.20809	2.2
105.05341	1.2
105.07014	3.3
107.07045	4.1
109.10157	2.4
110.72633	1.2
113.13270	3.3
117.07090	1.1
117.09110	2.0
119.08579	2.4
121.10175	1.5
130.08621	4.3
133.06480	1.1
133.08595	34.2
151.38957	1.3
157.10231	1.3
157.15894	3.5
161.09637	1.2
168.08084	1.6
177.11195	8.6
184.07349	3.5
188.86415	1.1
200.07106	1.1
201.18515	3.8
218.12169	1.0
239.14909	1.6
283.17584	2.7
308.96436	1.0
322.79434	1.2
395.15900	2.7
395.24619	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	395.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.1
53.04206	1.1
55.01864	3.4
55.05488	1.7
55.64104	1.4
56.96565	10.0
57.03437	14.9
59.20834	1.2
61.02932	7.8
62.55783	1.1
67.05479	1.4
69.03435	19.9
70.80468	3.4
71.01366	1.4
71.05003	6.6
71.89791	1.4
73.02896	5.2
75.04483	3.5
79.05474	1.9
81.03425	18.6
84.08144	1.7
84.96023	2.1
85.02906	100.0
85.06542	2.4
86.03246	2.7
86.09737	1.3
87.04476	1.9
88.07604	1.3
91.03940	2.7
91.05476	4.0
95.04945	3.1
97.02888	21.2
98.03689	2.0
98.97580	24.5
99.04457	16.5
101.02377	1.9
103.03887	1.3
107.04948	2.7
109.02897	8.8
110.97600	3.4
113.06007	28.3
116.98615	14.6
119.01932	3.9
119.04935	6.8
121.01651	3.7
121.06480	1.8
125.02373	1.5
127.03922	37.3
128.98601	5.3
131.01915	3.5
133.01634	1.6
133.03514	1.7
133.06506	1.5
134.99661	4.7
136.07591	1.8
137.05994	15.6
139.03796	1.6
141.05473	21.4
143.00082	1.8
143.01862	3.3
145.01698	2.1
145.03455	4.1
145.04965	8.7
146.99619	2.8
147.03256	3.0
147.04347	13.5
148.04752	2.0
151.03908	2.5
151.07657	1.6
157.03386	1.4
158.99652	4.8
159.05203	3.2
159.06531	52.9
161.02882	2.8
161.04869	1.5
163.02667	3.2
171.05034	1.7
173.03099	1.6
173.04814	1.9
175.02797	2.3
175.06036	6.4
176.37494	1.4
177.00755	7.4
179.07053	4.7
183.06538	4.8
185.02913	2.4
187.02779	2.2
187.04463	2.0
191.05817	2.3
195.04997	1.5
197.01163	1.4
199.04471	2.7
200.02332	1.6
201.07613	2.6
203.03928	3.1
203.05751	1.4
208.04974	2.7
213.06136	1.8
213.31384	1.3
215.05989	2.4
217.05492	4.4
219.01788	5.6
219.05077	1.6
221.04968	2.3
223.04816	3.7
223.37144	1.6
227.02307	1.6
233.10202	90.1
235.02946	2.7
237.02759	11.4
238.79500	1.6
239.06102	1.5
241.03804	2.3
244.04320	1.6
245.07263	1.3
253.03671	2.9
261.05347	1.3
263.08215	2.6
269.03104	1.6
271.04779	2.5
275.02383	2.3
280.06882	1.9
281.09143	4.0
283.08459	3.1
289.07770	1.9
295.05038	3.8
295.10681	3.5
296.07452	1.6
297.08075	4.2
305.07639	2.0
325.78735	1.8
335.10199	6.3
353.11145	2.3
378.10751	4.8
386.81277	1.4
395.07108	1.9
395.12585	5.6
399.10779	2.1
415.09326	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	395.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	9.2
55.01869	2.8
55.05506	2.7
57.03426	3.6
62.55689	1.4
65.03938	2.2
67.05502	2.5
69.03428	37.2
70.06582	2.2
70.10164	5.4
71.04979	6.8
72.08154	1.9
73.02918	4.2
79.05482	5.3
81.03414	24.8
81.07051	2.2
81.72651	2.0
83.01323	1.8
85.02890	11.6
87.04465	1.8
91.05480	19.4
93.07034	6.2
95.04929	8.4
95.08617	2.4
97.02885	20.5
99.04461	13.5
103.05457	10.3
105.03377	2.4
105.07028	7.6
106.06602	1.9
107.04947	8.0
107.08621	2.7
109.02880	14.9
109.06538	3.3
111.04469	2.9
115.05439	23.2
117.07009	49.5
119.04955	8.9
119.08491	2.6
121.02839	4.2
121.06496	6.2
123.04438	3.1
123.08080	1.8
127.03915	17.7
128.06241	4.6
129.07004	7.1
131.04913	24.1
131.08566	2.9
133.06467	4.2
133.10071	2.3
135.04414	2.7
135.08038	5.0
137.05971	4.9
139.03915	9.8
145.05092	4.3
145.06471	69.8
145.10130	2.0
146.05991	5.6
147.04405	41.8
147.08066	3.9
148.04771	3.0
149.02365	2.3
149.05977	4.6
151.03897	2.2
153.05438	1.9
155.04865	6.3
155.06088	4.6
157.06500	2.2
159.04414	10.8
161.05989	2.5
163.07478	9.2
164.07027	2.1
165.05421	9.2
167.07127	2.9
168.08112	3.4
173.05975	100.0
174.06332	2.8
175.03896	3.5
175.07541	7.0
177.05447	3.2
177.09059	2.1
187.07527	3.4
188.07004	2.8
189.05420	6.1
191.07019	20.9
201.05435	23.2
203.07005	3.4
205.08586	7.3
219.06514	37.2
233.08110	7.4
237.07654	10.2
251.09209	1.9
255.08348	2.0
281.20419	1.7
293.15009	3.3
345.09604	3.2
363.10843	7.3
395.14999	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1312
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	0.6
57.03453	0.6
64.21101	0.5
69.03442	1.1
70.06572	1.5
71.51025	0.7
78.63958	0.5
84.04502	1.0
84.08139	1.3
85.02906	5.5
91.05464	0.5
94.63483	0.5
95.04984	0.5
97.02881	1.2
100.03977	1.5
105.07047	0.6
117.05717	0.7
118.06569	0.5
118.96466	0.4
119.04928	0.5
120.08129	0.7
124.07570	0.5
125.52023	0.5
127.03870	0.6
134.06006	1.1
147.04404	0.5
151.03883	0.7
159.09186	1.2
164.07104	0.9
170.05719	0.6
176.07030	1.1
178.08681	0.8
185.04216	4.9
194.08115	0.7
217.04672	1.0
232.07085	10.6
233.07773	9.7
289.11871	0.7
293.07846	0.8
324.10794	1.4
335.12576	0.5
349.13843	2.0
364.11258	2.5
365.11789	0.8
385.67404	0.5
395.13144	100.0
396.13330	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	395.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	9.2
55.01869	2.8
55.05506	2.7
57.03426	3.6
62.55689	1.4
65.03938	2.2
67.05502	2.5
69.03428	37.2
70.06582	2.2
70.10164	5.4
71.04979	6.8
72.08154	1.9
73.02918	4.2
79.05482	5.3
81.03414	24.8
81.07051	2.2
81.72651	2.0
83.01323	1.8
85.02890	11.6
87.04465	1.8
91.05480	19.4
93.07034	6.2
95.04929	8.4
95.08617	2.4
97.02885	20.5
99.04461	13.5
103.05457	10.3
105.03377	2.4
105.07028	7.6
106.06602	1.9
107.04947	8.0
107.08621	2.7
109.02880	14.9
109.06538	3.3
111.04469	2.9
115.05439	23.2
117.07009	49.5
119.04955	8.9
119.08491	2.6
121.02839	4.2
121.06496	6.2
123.04438	3.1
123.08080	1.8
127.03915	17.7
128.06241	4.6
129.07004	7.1
131.04913	24.1
131.08566	2.9
133.06467	4.2
133.10071	2.3
135.04414	2.7
135.08038	5.0
137.05971	4.9
139.03915	9.8
145.05092	4.3
145.06471	69.8
145.10130	2.0
146.05991	5.6
147.04405	41.8
147.08066	3.9
148.04771	3.0
149.02365	2.3
149.05977	4.6
151.03897	2.2
153.05438	1.9
155.04865	6.3
155.06088	4.6
157.06500	2.2
159.04414	10.8
161.05989	2.5
163.07478	9.2
164.07027	2.1
165.05421	9.2
167.07127	2.9
168.08112	3.4
173.05975	100.0
174.06332	2.8
175.03896	3.5
175.07541	7.0
177.05447	3.2
177.09059	2.1
187.07527	3.4
188.07004	2.8
189.05420	6.1
191.07019	20.9
201.05435	23.2
203.07005	3.4
205.08586	7.3
219.06514	37.2
233.08110	7.4
237.07654	10.2
251.09209	1.9
255.08348	2.0
281.20419	1.7
293.15009	3.3
345.09604	3.2
363.10843	7.3
395.14999	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	394.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	6.6
56.96559	8.3
57.03421	2.6
59.24862	2.2
61.02933	3.9
61.53186	2.3
65.03955	2.6
67.05499	4.2
69.03428	13.7
69.58901	7.0
69.59330	10.7
71.04993	3.1
71.62966	2.4
72.08128	6.3
73.02927	2.4
79.05492	6.2
81.03416	7.7
81.07062	26.0
83.04973	6.1
84.59625	2.3
85.02901	33.6
91.05489	9.6
93.07035	6.6
95.04960	8.5
95.08577	5.1
97.02886	14.7
98.97567	6.5
99.04414	2.8
103.05470	3.3
105.07008	11.2
107.04942	7.3
107.08577	4.0
109.02851	3.6
109.06522	57.1
111.04418	3.6
117.06976	3.4
119.04939	4.0
119.40473	2.5
120.08090	15.4
121.06528	3.6
123.08077	12.0
125.02332	3.6
125.05984	2.4
127.03930	6.0
131.04973	3.1
133.06464	15.4
137.05978	19.7
145.04924	7.4
147.04399	4.2
149.05914	3.3
151.03865	4.0
151.07541	33.5
155.00180	3.2
155.07057	13.0
161.05972	10.7
173.01195	3.2
179.07039	100.0
197.08096	52.2
197.11853	5.0
199.02852	3.5
202.04944	7.0
213.04320	2.8
214.39044	2.6
215.09155	73.2
219.01553	2.9
219.14919	5.7
232.15451	3.8
237.02692	2.8
269.03351	3.0
271.04953	4.4
287.04306	5.1
289.05923	3.1
297.59558	2.5
311.04510	8.3
353.05362	2.7
413.07898	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	393.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.1
55.05508	9.3
57.03431	5.4
57.07075	35.7
59.33385	0.9
65.03939	2.3
67.05503	18.3
69.03382	1.4
69.06733	1.2
69.07071	13.9
71.08629	25.0
71.26519	1.2
79.05482	9.4
81.07055	30.6
83.04967	1.3
83.08625	10.2
85.06530	1.5
85.10179	12.7
86.24772	0.9
91.05463	12.8
93.07043	19.5
95.04969	13.1
95.08607	35.0
97.06527	2.4
97.10163	5.4
98.98466	62.2
99.08063	1.2
100.45087	1.0
103.05441	1.3
105.07027	23.2
107.08601	11.6
109.06514	4.4
109.10150	17.0
116.99517	2.3
117.07026	6.9
119.07811	1.7
119.08581	20.9
121.06504	4.8
121.10149	10.4
123.08063	2.7
123.11732	7.1
125.13261	1.5
125.42297	1.0
128.06212	2.3
129.07019	4.8
130.07776	2.0
131.08559	10.5
133.10100	12.6
135.08081	2.2
135.11682	5.3
137.13188	1.8
140.01118	1.5
141.06984	2.6
142.07784	5.5
143.08549	8.5
144.09308	3.1
145.10126	16.7
147.10669	0.9
147.11670	5.5
149.09627	2.4
149.13287	1.4
151.14751	1.0
154.07738	1.4
155.01036	100.0
155.08549	2.9
156.09322	3.1
157.10117	12.9
158.10977	1.2
159.08060	1.6
159.11696	11.3
161.09622	4.0
161.13216	1.9
163.11221	1.0
167.08565	1.8
168.09348	1.8
169.10088	5.2
170.10933	1.3
171.11673	7.3
172.02043	1.0
173.13339	5.3
175.11171	2.6
175.14809	4.2
179.08472	1.8
180.09285	1.0
181.10063	2.6
182.10817	1.5
183.11684	4.7
185.13229	4.2
187.11150	2.1
187.14790	2.7
193.10162	2.2
194.10942	1.6
195.11615	2.6
196.03645	2.3
196.12445	1.1
197.13200	4.6
199.11330	1.0
199.14838	3.6
200.97926	1.2
201.16396	1.4
209.13225	4.4
211.14795	2.2
212.44829	0.9
221.22563	1.4
223.14838	1.4
225.16411	2.3
237.16371	1.1
239.23695	8.7
304.26230	1.2
375.26688	1.2
393.27814	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	392.155
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03424	7.1
70.06589	12.5
71.06118	3.3
71.28963	9.8
78.93500	3.7
79.05492	7.8
82.94234	3.1
84.04490	4.7
85.02904	11.2
85.06516	3.3
86.09702	4.3
95.04973	7.6
97.02912	5.0
103.05477	4.0
105.07040	8.4
107.04967	51.4
107.08582	4.0
109.02909	8.7
121.06470	4.1
124.05151	4.5
125.02415	4.0
131.08505	3.6
135.08046	8.6
137.06020	6.5
149.05984	5.0
151.03886	8.1
163.07547	37.2
167.07050	88.1
168.10191	5.4
177.05435	5.2
178.89830	3.8
195.06477	12.9
195.08643	3.7
195.10176	26.6
212.09352	5.7
212.12738	7.7
213.11221	100.0
230.10211	4.8
375.03842	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	392.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16875	3.2
54.43449	4.3
69.03422	8.4
69.55502	12.7
69.55933	14.1
70.06576	15.9
77.70103	4.4
79.05493	7.3
82.01955	3.7
84.08112	4.2
85.02905	14.5
86.09702	5.8
91.05462	7.6
95.04945	4.5
97.02902	4.2
97.71909	3.5
102.05549	3.6
103.05438	8.6
105.06984	4.8
107.04962	52.6
133.02959	3.9
135.08035	15.2
137.05949	8.3
138.06302	4.8
149.05949	4.2
150.06465	4.3
151.03886	8.7
153.05476	4.2
163.07552	43.5
167.07034	98.3
195.10205	35.4
213.07822	4.4
213.11203	100.0
230.10265	5.0
354.52191	4.2
355.01678	3.9
392.14166	3.9
392.21146	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	393.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	4.2
55.01865	3.6
55.05511	100.0
56.96566	2.2
57.03440	17.9
60.71699	1.8
61.02916	6.2
67.05493	3.5
69.03432	20.2
69.50037	15.0
70.06573	6.1
71.01340	6.2
71.05001	10.1
73.02914	45.2
79.05480	3.5
81.03410	6.3
81.07027	5.5
83.04964	4.8
83.08619	59.2
84.08140	3.1
85.02908	21.9
87.04430	2.3
89.03905	2.0
91.05448	5.4
93.03380	3.0
93.07011	2.6
95.04982	2.4
95.11121	1.9
97.02888	55.0
103.05444	2.5
107.04941	3.7
111.04422	6.3
115.03925	25.7
117.03364	2.1
118.06528	2.2
120.08092	3.7
125.02341	5.7
129.05498	3.2
130.04958	3.0
131.04942	3.7
133.02878	2.4
133.04968	34.8
134.03638	5.0
135.04390	5.7
136.06177	2.8
137.05890	2.3
139.03911	2.4
142.05028	3.3
145.02765	2.1
145.05049	2.0
146.06035	4.9
147.04408	6.9
148.07385	2.4
150.09059	3.3
151.03911	3.3
151.09903	2.6
162.03084	3.7
163.03920	17.7
165.05501	2.8
174.05521	5.1
176.07088	3.2
179.05478	9.0
179.06940	3.0
192.06639	2.6
193.01700	2.1
197.08148	2.5
202.05003	15.8
204.06549	3.5
220.06091	8.3
253.45154	2.2
309.18057	3.3
328.11353	2.0
333.14493	2.8
335.66125	2.1
393.06262	2.4
393.12683	7.8
393.16965	3.1
394.10580	2.4
401.82693	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	391.263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	6.4
55.05502	16.5
57.07061	15.5
59.04983	4.4
59.75154	3.8
64.56706	3.3
66.45595	3.4
67.05492	18.5
69.03426	6.1
69.07053	12.3
70.06592	5.9
70.91914	6.5
71.08639	6.3
79.05482	27.2
81.07045	39.2
83.04968	4.7
83.08620	4.5
85.06542	5.8
91.04965	5.2
91.05486	38.2
93.07037	46.1
95.04971	45.5
95.08607	24.7
97.06541	4.7
103.05446	6.3
105.07023	71.1
105.82496	4.1
107.04903	4.1
107.08585	27.3
108.84686	3.8
109.06516	12.3
109.10133	8.5
115.05394	5.4
117.07017	16.7
118.13010	4.0
119.08581	53.5
121.06522	12.2
121.10143	29.3
123.08086	6.7
128.06213	12.1
129.06979	15.2
130.07784	8.6
131.08560	30.7
133.10088	18.3
135.08028	4.2
137.09650	4.5
138.05559	3.7
141.07008	10.3
142.07782	12.4
143.08592	22.0
144.09317	7.2
145.10129	52.5
147.08040	4.3
147.11688	10.0
149.02324	41.5
149.09644	4.6
153.06958	5.9
155.08546	13.3
156.09305	10.9
157.10117	40.7
159.08029	9.1
159.11653	14.5
161.09633	7.7
163.11163	4.1
165.07016	5.5
167.08548	13.2
168.09239	6.0
169.10136	26.2
171.11717	14.6
173.09663	6.7
173.13261	14.8
175.11194	7.4
179.08549	12.9
181.10127	12.7
182.10872	6.0
183.11670	15.9
185.13245	10.7
187.14832	3.7
191.08488	4.3
191.14326	5.2
192.09280	6.9
193.10155	11.7
194.10866	6.9
195.11707	17.8
197.09561	4.3
197.13268	21.3
199.11206	7.3
199.14835	4.2
205.10104	4.6
206.10864	10.0
207.11655	14.5
208.12514	7.5
209.13254	23.7
211.11189	6.1
211.14833	9.5
213.12814	6.1
219.11642	9.7
220.12460	4.6
221.13220	15.5
221.15173	4.0
223.11166	4.4
223.14848	13.3
225.12794	5.7
225.16280	4.9
233.13228	9.6
233.15388	6.2
234.13893	4.3
235.14828	11.7
237.12541	3.8
246.10400	4.0
247.14790	5.0
249.16425	8.7
255.17647	3.8
263.17786	9.1
264.18982	4.9
279.17441	5.6
281.19156	6.2
282.19778	5.2
291.17352	4.0
297.18411	5.7
321.21368	4.9
329.32510	5.2
334.47675	4.0
335.20020	7.2
363.26813	5.3
373.25150	17.6
391.26276	100.0
391.36163	26.8
392.26163	6.3
405.19498	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	391.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.5
55.79415	0.4
57.07063	1.0
62.36639	0.4
67.05503	0.6
69.07063	0.6
70.06570	1.1
70.17104	2.0
71.08632	0.8
78.94573	0.4
79.05482	1.0
81.07045	1.0
81.13568	0.4
91.05495	0.8
93.07048	1.1
95.08625	0.7
98.64138	0.4
105.07008	1.1
107.08599	0.7
119.08550	0.6
119.12120	0.4
121.10138	0.6
127.31215	0.4
131.08542	0.8
133.10164	0.8
145.10083	0.8
146.11801	0.5
149.02338	5.3
157.10126	0.6
207.11613	0.4
278.25385	0.4
285.29776	1.1
317.20654	0.5
329.32471	1.3
355.26361	0.6
391.24524	100.0
392.24768	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	391.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	11.9
55.07169	3.1
57.03430	3.4
57.07075	6.0
67.05505	16.8
69.07057	10.6
70.48878	10.9
72.65942	2.9
79.05477	13.5
81.03413	4.9
81.07060	23.3
82.06568	5.0
83.08625	9.8
91.05464	9.1
93.07031	16.2
95.04969	5.7
95.08609	14.6
97.06531	11.0
105.07031	13.6
107.04919	7.5
107.08566	16.2
109.06516	14.3
109.10144	10.7
111.08138	3.3
119.08572	12.0
121.06470	7.8
121.10133	12.0
123.08059	3.9
129.07016	4.4
131.08583	4.7
131.39622	3.5
133.10132	6.8
135.08057	7.1
135.11731	8.2
137.05937	5.0
145.10104	6.4
147.11708	10.5
147.74667	3.1
149.02328	37.5
149.13304	3.8
153.52942	3.5
159.11671	7.7
161.13269	4.4
163.03935	9.9
163.14835	6.2
167.03352	5.4
173.13153	4.4
177.12776	14.7
181.04974	3.3
187.14813	4.4
204.89488	3.4
212.45412	3.5
247.20615	6.1
253.28754	3.5
264.23242	55.6
277.21768	3.3
373.28455	55.5
391.29535	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	12.2
55.01867	11.1
55.05507	19.6
67.05502	37.8
68.85766	10.6
70.48145	37.0
79.05492	29.9
79.91592	11.0
81.03426	66.1
81.07067	51.5
83.04961	9.8
83.08645	10.6
84.86118	11.2
86.09706	14.3
90.35489	11.3
91.05479	46.5
93.07051	36.3
95.04955	25.3
95.08614	20.5
97.06535	14.8
105.07037	32.7
107.04955	13.1
107.08579	22.8
117.07059	14.1
119.08625	30.5
121.10150	19.6
123.07988	12.6
129.07001	25.7
133.10159	17.0
145.10083	14.3
147.04430	12.9
147.11679	17.1
149.02370	65.0
149.09651	18.5
151.03781	11.2
159.04396	11.2
161.02344	13.3
162.14622	11.2
163.03908	66.9
173.02422	22.2
187.03865	19.3
199.03925	12.4
210.66029	10.3
213.05440	23.0
223.53210	10.8
231.12288	14.6
267.13855	65.7
311.12653	30.5
337.14291	21.8
355.15356	100.0
391.11246	12.2
391.18808	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.5
55.01873	8.8
55.05510	27.4
57.03444	6.9
57.06833	1.0
57.07076	9.8
59.40231	0.8
67.05505	19.6
69.07066	33.9
71.08620	7.0
74.24311	0.7
77.55385	0.8
78.30676	0.8
79.05495	12.2
79.16264	0.8
81.06599	1.6
81.07053	23.9
81.15804	0.8
83.04984	1.2
83.08618	27.8
85.10186	1.4
88.28728	1.0
91.05465	2.2
93.07047	14.9
95.04956	2.1
95.08603	17.4
97.06517	7.5
97.10162	17.2
98.21542	2.0
98.98464	86.5
105.06985	2.4
107.08585	8.2
109.10163	7.2
111.08067	4.2
111.11704	5.5
116.99469	2.3
118.63668	0.8
119.08556	2.4
120.04003	0.8
121.09338	1.4
121.10149	16.6
123.11709	5.6
125.09636	1.1
125.13258	2.2
129.01454	0.9
131.08568	1.2
135.11693	14.1
137.13268	4.5
139.11128	1.7
140.01048	1.5
140.22026	1.0
145.10060	1.4
149.02312	6.4
149.13264	5.6
151.14891	1.2
155.01038	100.0
156.01407	1.1
157.10057	1.3
159.11563	0.9
163.14769	3.0
169.10136	1.4
177.16414	1.3
195.11633	1.1
196.83240	1.0
219.21088	10.8
222.13763	0.8
237.22115	24.7
292.88165	1.0
341.10519	0.8
357.69040	0.8
377.01178	0.9
391.26172	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	391.1233
Annotation	Eustomoside
Peak:m/z	Relative Intensity
53.03941	3.0
67.05521	4.7
69.03434	5.0
71.50216	3.1
78.54136	2.8
79.05527	2.4
81.03414	3.8
85.02904	16.1
91.18841	2.5
95.04967	50.9
97.02896	12.4
97.06538	4.7
109.06521	6.1
119.04901	4.4
123.00779	5.3
123.04430	36.3
125.02349	95.3
137.06007	9.5
141.05498	13.0
145.04999	3.7
147.04495	2.7
149.02365	11.0
149.05962	3.2
151.03911	59.9
165.05502	17.1
167.03427	11.0
168.86505	2.7
169.04939	6.5
175.03970	3.9
193.04996	6.4
211.06009	100.0
229.07065	74.0
254.75102	2.8
278.90219	2.8
340.63217	2.6
351.74631	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	391.102
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73668	1.7
53.00298	2.0
54.01618	2.1
54.65215	2.2
55.01856	9.6
57.03414	2.3
60.35633	2.2
61.02901	4.5
65.03923	3.2
67.05478	2.7
69.03426	4.6
69.53207	14.0
71.01344	2.8
72.08168	3.0
79.05474	4.9
81.03422	4.3
81.07032	2.6
81.33415	2.1
83.04959	4.1
84.08112	2.7
85.02912	2.6
89.03893	4.2
91.05460	10.6
95.01324	4.0
95.04940	6.2
97.02908	4.7
98.20737	2.1
103.05446	11.1
105.07025	8.2
107.04922	7.4
109.02834	3.6
109.06489	6.1
111.04434	4.8
115.05444	23.6
117.07002	19.1
119.04881	3.0
121.02814	4.5
121.06519	4.8
127.05441	4.3
128.06212	17.7
129.07005	34.9
131.04916	31.9
132.05254	4.4
133.02794	2.3
133.06459	5.7
135.04385	3.9
137.02301	2.5
137.04904	3.1
137.05951	36.6
139.03883	41.0
139.05446	5.9
140.70120	1.9
141.03352	3.1
141.06978	15.5
143.04890	20.1
143.08565	2.4
145.02837	41.9
145.06461	30.0
147.04399	8.4
149.02328	12.1
149.05972	7.5
151.03870	6.2
152.06157	5.5
153.05496	4.5
153.06973	11.7
155.04939	18.8
155.06029	4.7
155.08501	3.9
157.06476	93.1
158.06920	3.4
159.04433	5.7
161.05962	13.9
162.06621	2.7
163.03894	11.2
163.07504	4.0
165.05446	10.5
165.06972	13.9
167.04878	7.1
167.07106	4.5
167.08603	8.4
169.02858	6.0
169.06474	22.2
171.04419	25.4
171.07967	2.5
173.05984	30.2
175.03897	5.8
175.07603	2.5
177.05417	6.4
177.06937	3.4
178.07718	3.6
179.07007	3.1
181.06487	15.5
183.04376	20.3
183.08054	7.7
184.05009	3.5
185.05960	100.0
186.06320	3.5
187.03899	5.1
187.07487	3.6
188.07079	2.7
189.05443	5.0
191.03416	21.7
191.07033	3.5
193.04950	4.3
193.06503	5.1
195.04384	13.4
195.08066	8.5
196.05116	2.2
197.02339	8.9
197.05983	20.6
199.03854	10.4
199.07562	4.5
201.05493	14.4
203.07071	5.1
205.04874	2.3
205.06577	5.4
207.04419	3.4
209.06018	6.6
209.07932	2.8
211.03819	12.9
211.07529	7.9
211.09503	2.2
212.04634	2.5
213.05464	50.3
213.08806	2.5
214.05872	3.0
215.03416	10.2
215.06969	6.3
217.05090	3.3
221.06087	9.8
223.03978	10.1
223.07451	10.2
225.05479	17.5
227.03256	2.7
227.07019	8.8
229.04955	6.6
229.10606	4.1
231.06490	4.7
233.08051	17.1
237.05414	6.1
239.03355	7.7
239.07063	9.1
240.07803	2.7
241.04900	26.4
241.08620	3.1
243.02785	2.6
243.06526	8.6
245.08090	5.9
249.05603	4.9
251.07053	7.7
253.04881	9.6
253.08553	8.8
255.06479	4.4
257.04425	6.0
257.08130	3.3
259.06049	3.4
265.04953	5.5
267.06464	9.1
271.06079	10.6
273.07544	2.4
273.11407	7.4
277.05035	3.4
279.08698	7.9
283.05966	5.4
285.04260	3.6
285.07556	22.0
285.10895	4.0
286.07706	2.6
287.09137	6.2
289.07025	20.9
290.10199	19.6
295.05975	8.9
297.07745	2.7
299.05551	7.0
299.09308	3.4
303.08768	9.8
303.11481	2.3
311.05487	3.6
311.09015	4.8
313.07028	12.0
317.10107	5.8
323.05414	2.2
329.10098	2.8
331.08060	26.5
341.06497	12.1
341.10193	6.0
345.10013	2.5
358.12271	2.4
359.07559	56.2
360.08017	3.2
361.12619	2.1
363.10822	3.3
373.12680	2.3
377.08755	16.4
391.10120	27.9
391.14667	5.4
391.18982	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	390.195
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66371	2.9
56.96308	5.4
56.96566	80.0
67.05476	3.4
71.08224	3.2
71.95256	7.8
75.82130	3.3
79.05475	4.9
81.07040	7.6
84.96041	2.9
91.05503	4.5
93.07004	4.1
96.92405	3.1
105.07013	2.9
110.97559	3.5
116.86935	2.7
120.08224	2.7
128.98592	4.5
130.29544	2.9
130.69385	2.8
137.02707	5.2
143.50949	3.1
146.99644	10.0
153.02136	3.6
155.03806	3.9
169.01718	3.6
171.03267	9.2
175.02733	4.9
185.04828	13.9
189.04330	8.3
197.04921	4.4
199.02696	3.8
199.06416	12.7
203.05949	21.2
211.06378	8.4
213.07895	15.2
217.07474	25.8
220.06255	3.7
221.06944	4.1
225.07953	9.0
227.09525	6.6
229.07500	4.3
231.08958	16.1
237.07954	7.8
239.06015	3.9
239.09547	7.0
241.07434	3.7
243.09096	8.0
245.10670	6.1
249.07977	9.9
251.09537	14.2
255.09047	36.7
257.10614	7.9
262.11328	3.6
263.38873	3.0
267.09006	55.7
269.10547	87.4
273.10101	37.3
278.10663	4.9
285.10098	83.6
287.11667	38.4
290.10547	7.4
292.12259	16.9
303.11169	12.1
308.11584	13.4
331.15814	16.6
349.16840	59.9
357.88141	3.4
367.13272	4.9
367.17926	100.0
372.18503	7.3
385.18869	10.4
390.19269	16.0
390.23514	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1948
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	65.9
69.07070	4.4
71.50309	8.1
71.95263	9.0
78.31275	3.3
81.07046	6.9
86.46424	4.0
90.58863	3.8
90.73934	3.9
91.05409	4.4
95.08644	4.2
110.97514	4.0
128.98575	5.4
146.99649	6.4
151.83281	4.1
153.02145	4.1
171.03186	5.1
185.04793	7.5
188.02501	4.0
189.04335	8.2
199.06465	11.0
203.05888	16.1
213.08000	12.5
213.88849	3.9
217.07446	16.0
225.07886	9.2
231.06917	6.1
231.09045	18.5
237.07921	7.2
239.09584	6.3
243.09004	6.6
249.07942	6.0
251.09540	14.7
255.09113	27.3
267.09036	38.7
269.10574	100.0
273.10135	23.3
275.20218	3.9
285.10040	67.7
287.11603	48.4
290.10760	7.5
292.12134	29.2
308.11505	10.2
331.15823	11.0
349.16812	24.5
367.17883	74.6
390.19510	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	390.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.0
53.78547	2.3
56.05035	5.7
57.03444	2.6
58.06590	2.9
61.02928	4.2
67.05497	4.0
68.05032	10.5
69.03432	14.7
70.06572	2.9
70.80620	6.8
71.05007	3.5
73.02924	3.0
75.05070	2.6
79.05497	8.9
81.03423	5.6
81.05805	5.3
81.07055	5.7
81.93942	2.5
82.06573	5.8
84.04504	5.9
85.02913	22.3
86.06064	10.7
87.04488	3.0
91.05488	24.2
93.07047	8.3
94.06578	19.6
95.04977	8.7
96.04501	5.2
96.08157	13.0
97.02890	10.1
103.05463	4.8
105.07011	4.3
106.06520	4.0
107.04951	10.7
108.08109	2.8
109.02899	5.0
109.06503	4.8
110.85505	2.4
112.04059	3.0
112.07603	12.8
116.72211	2.7
118.06565	4.9
119.04939	4.9
120.08101	3.6
121.06505	11.4
122.06049	12.1
122.09672	3.8
123.04413	3.0
124.03912	3.9
124.07596	60.7
125.02360	9.1
127.03912	3.3
129.87602	2.0
131.04962	3.7
133.06468	3.9
136.07614	4.2
136.11247	6.3
137.05975	3.7
138.09123	3.1
140.07086	7.1
146.09680	5.9
147.04395	22.8
147.08064	2.9
148.07584	7.8
148.53552	2.8
149.06003	9.8
150.09152	2.2
151.03946	4.9
152.04301	4.0
164.10767	13.8
165.05492	15.3
166.08655	9.7
174.05624	2.7
174.09120	5.3
175.03940	7.0
182.11836	5.5
192.06613	3.7
192.10229	16.0
193.04962	36.3
194.11790	3.1
210.08026	12.1
210.11259	100.0
211.06099	4.0
211.11574	3.4
228.08713	21.5
228.12296	4.6
228.15979	3.0
347.24554	2.8
361.85760	2.6
367.98621	2.3
372.16223	3.3
390.13831	9.2
390.17581	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	390.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.0
53.78547	2.3
56.05035	5.7
57.03444	2.6
58.06590	2.9
61.02928	4.2
67.05497	4.0
68.05032	10.5
69.03432	14.7
70.06572	2.9
70.80620	6.8
71.05007	3.5
73.02924	3.0
75.05070	2.6
79.05497	8.9
81.03423	5.6
81.05805	5.3
81.07055	5.7
81.93942	2.5
82.06573	5.8
84.04504	5.9
85.02913	22.3
86.06064	10.7
87.04488	3.0
91.05488	24.2
93.07047	8.3
94.06578	19.6
95.04977	8.7
96.04501	5.2
96.08157	13.0
97.02890	10.1
103.05463	4.8
105.07011	4.3
106.06520	4.0
107.04951	10.7
108.08109	2.8
109.02899	5.0
109.06503	4.8
110.85505	2.4
112.04059	3.0
112.07603	12.8
116.72211	2.7
118.06565	4.9
119.04939	4.9
120.08101	3.6
121.06505	11.4
122.06049	12.1
122.09672	3.8
123.04413	3.0
124.03912	3.9
124.07596	60.7
125.02360	9.1
127.03912	3.3
129.87602	2.0
131.04962	3.7
133.06468	3.9
136.07614	4.2
136.11247	6.3
137.05975	3.7
138.09123	3.1
140.07086	7.1
146.09680	5.9
147.04395	22.8
147.08064	2.9
148.07584	7.8
148.53552	2.8
149.06003	9.8
150.09152	2.2
151.03946	4.9
152.04301	4.0
164.10767	13.8
165.05492	15.3
166.08655	9.7
174.05624	2.7
174.09120	5.3
175.03940	7.0
182.11836	5.5
192.06613	3.7
192.10229	16.0
193.04962	36.3
194.11790	3.1
210.08026	12.1
210.11259	100.0
211.06099	4.0
211.11574	3.4
228.08713	21.5
228.12296	4.6
228.15979	3.0
347.24554	2.8
361.85760	2.6
367.98621	2.3
372.16223	3.3
390.13831	9.2
390.17581	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	390.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.3
55.01859	3.6
56.96560	2.7
57.03424	3.2
59.69039	1.0
61.02921	6.8
61.23942	0.8
69.03427	17.1
70.06578	1.5
70.08096	3.2
70.08501	1.4
71.01354	2.4
71.04984	2.8
73.02899	2.2
79.05495	10.8
81.03410	6.9
81.07053	51.4
82.06573	1.5
83.43106	1.0
84.04504	3.5
85.02901	43.5
86.03237	1.4
86.09694	3.0
87.04449	3.4
91.03949	3.4
91.05465	4.4
93.05768	2.1
93.07051	10.0
95.04961	1.6
95.08598	1.3
96.04442	1.3
97.02886	15.5
98.97610	1.8
99.04447	2.3
103.05446	3.3
105.07024	39.7
107.08584	1.3
108.08113	28.1
109.02910	4.7
109.06513	9.5
110.03146	1.2
110.07130	1.6
115.05450	3.3
116.98605	2.2
117.07089	1.2
121.06522	1.3
122.05928	1.0
123.08064	1.7
124.07626	1.1
125.02358	1.7
127.03915	9.2
128.98589	1.4
130.79056	1.0
133.06485	70.3
134.06810	1.6
135.08043	6.2
139.03909	3.4
145.04953	8.4
150.09091	2.8
151.03882	2.3
151.07541	25.3
161.05977	90.9
162.06290	1.6
163.03932	2.5
165.09050	2.9
167.06964	1.4
169.08594	6.6
178.08627	14.2
179.07021	42.1
183.10158	2.4
191.07249	1.3
193.08597	100.0
194.08937	2.6
196.09679	4.5
197.08078	5.9
210.11237	51.5
211.09651	36.6
211.11378	1.3
219.01802	1.2
228.12309	13.4
237.02734	1.8
263.14920	0.9
267.55597	1.0
309.08466	1.2
309.13745	1.8
390.05832	1.4
390.17520	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	390.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03428	6.3
69.90427	8.6
69.90845	12.1
79.05507	6.3
85.02891	12.8
91.05465	7.2
97.02888	6.5
103.05472	7.8
105.07021	50.8
115.05441	13.0
117.44993	4.1
119.04919	5.2
126.23517	3.9
133.06479	53.2
137.05965	14.0
147.04405	6.4
149.05939	11.1
151.07530	4.7
161.05984	100.0
164.66264	3.8
179.07092	9.2
193.08612	67.3
211.09659	13.1
256.29858	3.8
293.08768	4.3
313.26016	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	390.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	3.8
62.40833	1.4
63.21771	1.4
63.29966	1.3
69.03445	1.6
69.59032	5.7
69.59462	4.6
79.05476	2.2
81.07019	1.8
91.05479	3.3
93.07047	2.5
94.98285	1.3
95.04954	2.8
98.21534	1.8
99.04471	2.1
103.05450	2.4
105.07040	1.9
106.40955	1.3
107.04948	5.1
107.08485	1.5
107.59525	1.4
111.04442	2.1
114.09258	1.5
114.61886	1.4
119.04947	2.9
121.06474	2.8
131.04947	2.9
132.05717	2.9
133.06506	1.6
135.04335	1.5
137.05965	11.4
142.07680	1.5
147.04387	4.7
147.08051	1.8
151.07536	2.1
153.05429	2.3
154.06267	1.4
159.08022	1.6
161.06004	2.5
163.07523	4.9
164.08247	3.9
165.05473	1.5
165.06985	3.3
166.07703	2.3
167.07014	15.9
167.08467	3.2
168.07318	2.0
175.07567	2.5
177.05516	2.7
178.07808	1.7
179.07106	1.9
179.08575	4.6
180.07639	1.5
181.04942	3.5
181.06503	3.7
182.07196	2.4
189.05382	2.2
189.06979	1.9
190.05963	1.7
191.06908	1.9
193.08440	1.6
194.07184	2.5
195.08064	5.7
199.07466	2.5
202.07828	1.7
205.06505	1.9
206.07269	2.3
207.08008	6.4
208.08949	2.5
208.10922	4.8
209.06055	1.7
210.06737	3.1
210.14951	1.7
211.07605	3.0
213.09140	1.6
215.08629	1.6
219.08018	4.1
221.05931	3.9
221.09589	2.4
222.06717	3.0
223.07529	5.4
224.08253	5.0
225.05457	1.9
225.09067	6.1
233.09554	1.9
234.06776	1.8
235.07538	5.9
236.08217	3.6
237.05466	2.0
237.09140	3.9
238.06262	2.7
238.10016	1.6
239.06981	2.6
239.10718	3.2
240.07854	6.2
241.08586	4.2
247.07574	2.9
248.08206	1.7
249.09158	3.9
250.06140	1.9
250.09799	2.5
251.07053	5.6
251.10638	3.3
252.07829	2.5
253.08611	10.1
254.09425	1.8
255.06406	1.8
255.10097	2.3
256.11581	2.3
261.08939	1.6
263.06989	2.5
264.07755	2.6
265.08569	6.3
266.05737	1.6
266.09299	2.2
267.06564	5.9
267.10071	4.5
268.07230	4.5
268.10864	4.7
269.08163	2.9
269.11676	3.0
270.08936	1.9
277.08386	2.1
278.09338	3.7
279.06552	3.8
279.10077	5.2
280.07181	3.6
281.07980	7.6
282.08807	3.1
283.09750	4.0
284.10898	2.9
285.11197	2.1
286.11798	1.8
293.08029	2.2
293.11545	1.5
295.09653	5.3
296.06943	2.2
296.10403	5.8
297.11075	7.4
298.15530	1.7
299.09262	1.7
299.12805	2.3
309.11227	2.6
311.09143	5.7
311.12762	7.6
312.10089	2.2
312.13629	3.5
313.10580	4.1
316.13016	3.1
322.11935	4.8
324.09814	3.2
325.10645	7.8
326.11459	8.7
326.63919	1.7
327.12286	2.7
328.12973	5.1
329.13837	3.1
330.11572	5.6
339.12128	3.3
340.13062	19.5
341.13812	44.9
354.14523	1.8
357.13333	38.5
358.11044	3.2
359.14856	2.3
360.15594	46.8
361.15961	1.5
371.14655	2.0
372.15671	100.0
373.16116	2.1
382.08780	1.6
390.16290	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	389.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92513	1.6
52.87716	1.7
53.03949	4.1
55.01868	6.6
55.05505	18.7
57.03443	2.4
65.03938	4.8
67.05138	2.3
67.05505	34.7
69.03429	4.8
69.07062	12.6
70.95809	3.9
71.04980	2.6
72.28155	1.5
79.05491	31.8
81.03436	4.2
81.07052	31.0
83.04963	4.1
83.08612	8.6
85.02893	2.2
91.05482	100.0
92.05845	1.7
93.07037	25.6
95.04981	13.0
95.08613	16.0
97.06548	5.3
97.10185	2.6
103.05424	8.0
105.03391	3.0
105.07033	33.4
107.04951	15.9
107.08588	14.6
109.02880	4.6
109.06512	4.0
109.10149	6.4
110.03595	1.8
111.08115	2.1
115.05442	17.0
116.06234	6.8
117.07019	72.4
119.04949	19.9
119.08574	14.0
121.06528	4.3
121.10151	7.9
123.04403	4.9
123.08057	3.1
123.11686	2.9
123.58395	1.6
128.06238	13.3
129.07007	55.7
131.04965	8.0
131.08566	70.9
133.06471	14.7
133.10143	6.4
135.04417	11.3
135.08070	3.7
135.11659	3.0
137.05986	6.7
139.03918	2.0
141.06987	34.4
141.08029	3.0
142.07790	3.5
143.08559	28.1
144.05708	1.9
145.06477	16.2
145.10132	20.9
147.04376	4.2
147.08022	6.6
147.11725	2.8
149.05998	5.6
149.09624	3.3
151.03947	8.4
153.07002	6.6
154.07843	4.5
155.08559	24.8
157.06497	12.5
157.10149	13.4
159.04494	4.0
159.08037	30.1
159.11679	4.7
161.05988	5.4
161.09590	4.4
163.07568	4.3
165.05553	3.0
165.07011	5.0
166.07791	2.4
167.07080	4.5
167.08577	14.4
169.06456	1.7
169.10120	22.0
171.08119	10.2
171.11656	8.4
173.06018	5.2
173.09648	7.9
173.13301	4.4
175.07509	8.2
177.05482	3.2
177.09123	4.7
179.08554	4.3
181.05048	8.5
181.06454	3.0
181.10155	14.5
183.08078	6.0
183.11699	7.5
185.05971	4.6
185.09622	7.9
185.13239	4.4
187.07617	9.3
187.11211	3.9
189.09052	4.6
193.08569	1.9
193.10179	3.1
195.08087	4.3
195.11737	7.9
197.09627	5.1
197.13254	3.1
199.07599	3.5
199.11278	5.7
201.05498	2.2
201.09085	4.9
205.08536	9.7
207.11795	2.6
209.07973	3.2
209.09789	3.0
209.13312	4.7
211.07603	2.5
211.11229	2.2
211.14812	3.9
213.09103	3.7
213.12695	3.4
215.10635	1.9
219.11868	3.1
222.35440	1.9
223.07471	2.2
227.10635	2.6
237.12617	2.3
239.14268	3.1
241.19438	2.3
251.17949	7.4
255.14001	4.2
257.15381	3.9
261.16443	3.7
269.19022	13.6
273.14801	11.8
277.60376	2.1
279.17499	11.2
287.20151	12.6
291.15839	2.4
297.18506	46.4
298.18738	3.3
299.16608	2.5
301.14346	7.1
307.16949	10.2
315.19537	36.1
315.23111	3.3
316.19974	2.5
319.15210	1.9
325.17984	45.0
325.21628	2.6
333.20563	11.4
335.16379	3.5
343.19034	43.4
353.17392	9.1
361.20096	14.6
371.13989	2.6
371.18546	43.1
372.19135	1.9
389.14847	3.8
389.19629	48.0
407.20862	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	389.1591
Annotation	Dihydrosinapyl ferulate
Peak:m/z	Relative Intensity
53.03934	1.8
53.69845	1.0
55.01874	9.6
58.10259	1.0
58.56326	1.0
61.52539	0.9
65.03945	6.7
65.04229	1.4
67.05509	5.1
69.03419	2.7
77.03884	1.3
79.05474	5.3
81.03410	1.3
81.07030	1.8
82.04197	1.5
85.02884	3.7
91.05478	11.3
93.07050	5.9
95.04962	13.8
95.08588	1.6
97.06506	3.1
98.20777	1.9
103.05465	4.9
105.07011	2.2
107.04945	7.0
107.08595	2.0
107.13037	1.0
108.02123	1.2
109.02882	2.5
109.10115	1.4
110.03623	1.1
111.04431	1.5
115.05453	3.1
117.07003	6.2
119.04955	7.3
119.08595	2.3
121.06508	6.0
122.03648	1.5
123.04426	12.1
123.08079	6.8
125.06001	1.7
128.06180	1.3
129.06955	3.8
131.04892	5.3
131.08537	1.9
132.05649	1.8
133.06465	1.4
135.08051	2.8
136.05130	1.2
137.05983	12.8
139.03954	1.6
140.04655	3.7
142.02611	2.2
145.06470	7.9
146.03662	1.1
147.04407	4.5
147.08067	1.4
149.05972	3.0
149.09618	1.7
150.06816	1.2
151.03928	2.6
151.07541	34.8
152.07855	1.8
153.05443	3.6
155.06970	1.5
157.06502	2.3
159.08006	1.1
160.05177	3.2
161.05930	4.8
163.03899	1.3
163.07524	4.6
164.04657	1.8
165.05519	1.4
167.07047	8.8
167.10817	1.4
169.04916	1.7
171.06529	3.8
173.09532	1.3
174.06706	2.5
175.07541	100.0
176.07895	3.0
177.05484	8.7
177.09016	2.0
179.06984	2.1
181.04959	18.6
183.06517	17.7
187.07477	2.6
189.09090	2.8
191.07007	2.0
195.10167	36.7
196.10425	1.5
201.09103	10.9
207.06419	6.2
209.08061	12.7
217.08571	1.5
219.10150	52.9
220.10587	2.8
221.08060	1.2
234.06639	1.5
235.09694	2.0
249.09042	1.8
251.06940	1.2
251.10582	1.2
261.08939	1.6
265.08475	1.3
277.08621	2.5
307.09653	1.4
309.11066	2.2
311.08966	1.3
329.13776	1.4
339.12439	4.9
341.13736	2.4
343.11682	2.1
357.13177	3.5
359.14499	1.8
371.14853	5.6
389.15927	18.4
390.15930	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	389.1592
Annotation	(-)-Simulanol
Peak:m/z	Relative Intensity
53.03941	2.6
55.01873	37.0
65.03938	10.1
67.05494	4.5
69.03439	1.5
69.23695	3.6
69.24104	10.7
78.46007	1.3
79.05493	5.6
82.04175	4.0
85.02910	7.3
91.05470	4.0
93.03438	1.9
95.04980	7.9
97.06516	2.1
103.05453	14.9
105.07045	1.9
107.04944	9.4
110.03666	3.8
111.04441	2.0
112.71516	1.6
115.05434	2.9
116.62971	1.4
117.07014	2.9
121.06496	6.3
122.03638	3.4
123.04427	5.7
124.05264	1.5
125.05971	5.1
128.06250	3.1
129.07007	10.3
131.04916	19.9
131.08524	1.6
133.06517	2.2
137.05975	33.1
138.03102	3.8
138.06345	1.5
141.06973	2.0
142.02628	4.3
145.06496	7.0
147.04366	1.7
149.05971	11.0
151.03918	4.2
151.07527	2.2
153.05444	4.7
155.07076	2.3
157.06503	7.6
159.04329	1.8
160.05174	3.3
161.05931	4.3
163.07542	6.7
165.05583	2.8
167.07039	26.4
171.06543	5.6
173.05943	2.2
174.06764	4.1
175.07578	15.7
177.05467	39.5
178.06158	1.4
181.04956	100.0
181.24905	1.4
182.05295	3.2
183.06552	4.3
187.07582	1.9
189.07506	1.8
189.09106	12.5
191.07098	3.0
201.09033	2.0
205.08582	2.1
206.07266	2.5
206.39458	1.3
209.08092	62.7
210.08508	2.5
217.06544	3.0
217.08621	6.9
218.07294	2.1
219.08156	2.8
219.10162	8.5
221.07928	2.1
231.08093	1.5
234.06688	2.9
235.07445	3.3
235.09737	5.6
237.10297	2.1
247.07486	1.4
249.09151	2.8
261.09012	3.5
264.78543	1.6
265.09552	3.1
277.08688	10.6
278.09451	2.1
293.09152	3.8
293.12051	2.6
307.09644	1.9
309.11230	3.8
311.10040	1.7
321.11398	1.8
329.11472	3.1
339.12894	10.6
341.13828	3.4
353.13840	2.7
357.10983	2.4
359.14850	3.4
371.14844	14.0
389.16199	40.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1591
Annotation	Dihydrosinapyl ferulate
Peak:m/z	Relative Intensity
51.56989	3.2
55.01871	30.9
65.03945	17.7
65.04256	2.9
66.73071	3.3
67.05492	8.4
69.03434	6.0
69.82560	3.5
70.63861	10.0
79.05486	7.2
79.79297	3.4
81.07032	5.6
85.02900	10.8
91.05484	8.6
93.03389	6.2
95.04954	15.0
97.06498	5.2
103.05458	19.6
105.07031	4.7
107.04971	22.5
109.02860	10.5
110.03631	8.4
111.04443	9.3
114.35172	3.9
115.05422	5.4
117.07007	9.8
119.04973	4.4
121.02837	3.9
121.06514	12.1
122.03645	5.8
123.04429	12.0
125.06019	10.0
128.06186	4.5
129.06963	10.4
131.04939	29.2
131.08513	5.0
135.04430	5.5
137.05977	45.7
138.03169	4.0
138.06311	3.8
142.02763	3.9
147.04366	7.0
149.05937	9.6
151.03868	8.6
151.07556	10.1
153.05411	16.8
153.33963	3.6
157.06462	11.7
159.08006	3.4
160.05186	6.4
163.07477	9.0
165.05470	4.5
167.07031	40.4
171.06531	9.9
174.06761	9.4
175.07550	36.9
177.05472	43.9
179.07063	8.2
181.04939	100.0
183.06517	10.5
187.07480	6.3
189.09103	17.3
189.10561	3.8
191.07004	7.8
192.77338	3.5
195.08113	3.7
195.10152	9.1
201.09111	5.9
209.08064	58.3
212.08185	4.0
217.08591	8.8
218.07132	4.6
219.08113	7.3
219.10150	51.8
233.09702	4.3
234.06708	5.8
235.09912	3.5
238.09897	5.2
239.06935	6.8
240.07713	5.8
248.08322	4.5
249.09015	9.9
251.06886	4.5
253.08559	8.8
255.10193	5.9
261.09106	6.3
277.08597	15.6
278.09308	6.3
279.10098	3.6
281.11667	5.9
283.09528	5.3
293.11710	5.2
309.11151	8.4
311.12573	4.2
313.10565	9.7
313.14120	4.9
315.13983	4.6
321.11191	6.8
327.12198	28.5
339.12247	19.3
341.13693	12.6
359.14951	19.7
371.14999	25.8
389.15817	45.2
389.26953	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	389.1592
Annotation	Dihydrosinapyl ferulate
Peak:m/z	Relative Intensity
53.03944	3.7
55.01869	9.3
62.02998	1.7
62.96088	2.4
65.03929	6.3
67.05486	5.2
69.03399	3.6
70.34598	1.7
71.50023	3.5
79.05473	8.8
80.62240	1.9
81.03430	2.2
84.04498	1.9
85.02905	5.2
91.05471	15.8
93.07022	5.9
95.04961	15.7
95.08608	3.0
97.02869	2.7
97.06570	2.0
103.05485	12.8
105.07011	4.2
107.04952	10.9
107.08553	2.7
109.02891	2.3
109.10127	2.1
110.03657	2.9
115.05424	5.2
117.07021	9.1
119.04932	10.3
121.06487	6.9
122.03648	2.6
123.04424	12.9
123.08031	7.5
125.02294	2.5
125.05963	2.0
128.07463	1.8
129.07018	3.1
131.04897	17.2
131.08528	2.5
135.04410	2.2
135.08054	4.8
137.05984	17.0
138.06342	2.6
139.03883	5.4
140.04639	3.1
144.05681	2.6
145.06493	8.6
146.03728	2.4
147.04372	8.6
147.08015	3.0
149.06003	4.4
149.09552	2.3
151.03928	25.8
151.06303	2.5
151.07532	42.3
153.05460	2.6
157.06459	3.6
160.05183	3.8
161.05949	8.4
163.03923	2.5
163.07530	13.0
164.04645	3.0
165.05452	5.2
167.07027	24.2
169.04947	2.5
171.06572	2.2
173.05917	4.9
174.06706	2.3
175.07541	100.0
176.07872	2.0
177.05464	7.3
177.09015	3.4
179.07031	5.9
181.04919	22.1
181.06381	3.0
183.06522	13.9
187.07481	3.1
189.09056	4.5
191.07008	33.6
195.10153	43.5
201.09138	9.7
207.06459	10.5
208.07263	2.2
209.08069	12.1
209.60046	2.1
213.10153	2.1
219.08110	4.3
219.10162	48.9
235.07632	2.5
239.10455	2.1
241.09666	3.7
245.12976	2.1
255.11224	5.3
279.10202	4.6
283.10626	4.6
311.09921	3.8
329.11252	13.0
336.96686	1.9
339.12274	7.0
341.13745	2.5
343.11804	3.3
357.10022	3.7
357.13358	7.7
359.14600	2.1
371.14856	6.8
389.16351	18.9
410.39536	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.159
Annotation	Dihydrosinapyl ferulate
Peak:m/z	Relative Intensity
53.03934	3.6
53.33212	1.7
54.06836	1.8
55.01860	8.2
60.27848	1.6
65.03933	6.8
65.32396	2.0
67.05500	5.1
68.92268	1.6
69.03414	2.3
77.03947	2.3
79.05483	9.7
81.03440	2.5
81.07008	2.4
82.04171	3.0
85.02892	2.4
91.05469	16.4
93.07033	8.4
95.04961	18.7
95.08572	3.5
97.02941	1.9
97.06526	2.9
98.20789	3.7
101.30295	1.9
103.05464	12.4
105.04520	2.2
105.07037	3.6
107.04924	12.9
107.08587	3.4
108.02115	2.7
109.02859	3.0
109.06506	2.8
111.04435	2.2
115.05437	5.5
117.07021	6.1
119.04938	8.3
119.08594	2.7
121.06519	5.6
123.04431	16.3
123.08021	9.0
125.05976	3.3
129.07010	4.9
131.04906	13.8
131.08508	2.1
133.02866	3.5
133.06451	3.3
135.04404	2.3
135.08023	4.6
137.05971	14.4
138.06308	2.3
140.04614	2.5
141.06931	3.4
145.06471	8.2
146.03606	2.1
147.04396	7.1
147.08089	3.8
148.05200	3.9
149.05971	5.4
149.09633	3.2
151.03902	23.3
151.07536	37.6
155.07072	2.1
157.06371	2.2
159.08009	2.6
160.05139	2.7
161.05952	8.2
163.07521	13.8
164.04704	2.0
165.05495	7.2
165.06819	2.2
167.07022	22.9
168.07376	2.3
171.06523	2.7
173.05969	5.1
174.06679	4.1
175.07527	100.0
176.07898	3.7
177.05432	9.3
179.07016	8.1
181.04941	20.4
181.08595	2.8
183.06512	12.1
189.09126	6.0
191.07025	31.3
193.08575	2.8
195.10156	40.2
201.09071	14.0
205.08640	2.1
207.06477	10.7
208.07204	2.7
209.06204	2.2
209.08002	9.5
217.08614	4.4
219.08109	4.2
219.10146	49.0
220.10544	1.9
249.09006	2.0
255.11168	5.8
277.08676	2.4
279.09909	2.8
283.10425	3.4
297.11163	2.2
311.09833	3.4
313.10306	2.1
329.11285	8.8
339.12360	5.5
357.10739	7.3
359.14658	3.6
371.15158	4.8
389.16357	21.5
413.15216	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.159
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	38.3
58.53539	4.0
60.00879	3.6
64.21430	3.5
65.03916	12.3
67.05491	8.1
71.69380	3.7
72.71117	3.7
79.05485	8.2
82.04186	4.3
85.02912	4.4
91.05482	9.0
94.04110	3.5
95.04945	13.5
97.06548	3.5
103.05441	27.9
105.06989	4.6
107.04939	17.3
109.78593	4.4
115.05441	6.9
119.04916	8.2
120.91330	4.4
121.06487	7.4
122.03617	5.4
123.04382	18.6
125.05972	5.5
129.06960	13.9
131.04932	32.7
137.05949	50.2
138.03082	4.9
141.07069	3.5
142.74268	4.1
144.46121	3.7
145.06439	11.2
147.04318	4.7
149.05983	6.7
151.03845	9.6
151.07509	12.0
151.97209	4.0
157.06453	17.0
157.07625	4.3
158.07266	3.9
159.07999	4.1
160.05220	7.5
161.06023	6.8
163.07504	18.0
165.05435	5.9
167.06967	32.4
171.06512	9.2
174.06721	12.1
175.07567	53.0
177.05446	37.3
181.04955	100.0
181.06522	6.4
183.06543	19.7
187.07503	9.5
189.06819	3.8
189.09128	25.6
191.06984	7.8
195.10124	15.1
199.08611	13.4
201.09105	11.7
203.08592	3.9
207.06462	7.7
209.08119	63.1
213.06657	3.7
213.10156	9.3
214.07301	4.0
217.08525	10.6
218.07262	7.0
219.08119	6.6
219.10110	59.3
227.08200	9.4
227.11819	10.6
228.08766	5.9
231.07944	5.6
233.09532	4.2
234.06668	10.4
235.09671	5.6
241.06049	6.0
241.09705	30.8
245.12886	6.7
246.06848	4.4
247.07425	5.0
249.09109	11.8
251.10460	4.7
255.11281	26.5
257.09045	5.4
261.09067	9.5
262.06442	5.1
263.07071	4.5
265.08868	3.9
269.09152	13.3
273.12241	6.8
277.08621	24.5
278.09302	7.9
281.11530	3.9
283.10803	38.2
291.10172	5.4
293.11673	5.6
294.08771	4.5
295.10425	6.7
309.11148	15.7
311.10080	25.0
313.11563	8.2
321.11157	10.7
329.11246	91.7
339.12625	29.1
341.13797	6.6
353.13666	6.7
357.10617	64.6
359.14801	7.4
371.14960	38.9
372.15128	5.0
389.16547	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	389.1438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.5
55.01883	5.2
55.05506	7.6
56.96561	8.6
57.03426	6.8
59.05001	3.6
61.02923	3.7
69.03428	22.3
70.05493	10.6
70.05923	6.6
70.06576	7.7
72.08159	22.2
73.02917	10.8
76.22045	3.2
79.05496	15.3
81.03422	9.6
81.07066	16.9
83.06111	4.9
84.04503	31.8
84.08144	26.5
85.02907	38.6
86.03288	4.3
86.09695	40.6
87.04477	3.8
91.05452	5.6
93.07066	8.8
95.04962	42.8
97.02884	19.6
98.20859	6.1
98.97614	4.8
102.05545	10.6
103.05465	10.9
107.04961	62.5
109.02884	51.0
112.20131	3.8
119.01923	7.9
121.06506	19.9
123.04434	13.4
125.02357	8.7
125.05996	7.2
127.03914	19.7
129.06616	8.7
129.10228	17.5
130.05013	8.5
131.01950	7.5
131.04926	9.1
132.10182	5.9
133.03453	9.1
137.05977	10.0
139.00766	3.7
139.03873	8.2
143.01930	5.8
145.03474	10.8
145.04944	3.5
147.07684	7.2
149.06009	24.2
151.03893	100.0
153.05446	8.8
155.01889	7.0
161.02946	6.5
165.05453	20.2
167.07022	8.5
168.75792	3.7
169.03473	5.8
171.05032	6.1
173.03029	10.2
175.04567	4.3
176.01782	4.5
177.01001	5.3
177.05460	57.1
178.08640	4.7
178.54399	4.4
185.02951	9.9
187.04515	7.5
195.06537	46.7
197.12833	6.7
201.06029	5.3
203.03986	6.9
209.08069	5.7
210.11327	4.0
211.04543	8.2
215.04097	5.0
217.05803	5.4
218.08859	4.3
219.01990	10.2
221.02797	4.0
221.05057	8.2
223.04796	6.9
227.09102	6.2
233.03552	4.7
246.05345	6.9
247.04994	5.1
248.01859	4.7
255.05133	4.1
263.52698	3.6
275.06125	7.6
299.53986	4.6
303.12820	4.6
347.03143	4.4
376.30301	3.9
389.07159	17.2
389.12167	31.8
389.24750	9.1
390.11588	5.0
390.57532	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	389.1439
Annotation	Dehydrologanin
Peak:m/z	Relative Intensity
51.36369	6.4
57.10217	6.1
69.49080	48.4
72.09431	5.9
74.12740	7.2
77.69312	7.3
79.05499	14.0
85.02895	7.4
85.74555	5.6
85.87126	6.0
95.04963	20.5
98.20744	7.5
107.04957	100.0
109.02865	27.3
109.03513	6.0
109.57677	6.5
117.02364	6.8
121.06525	8.1
123.04304	6.8
126.47602	6.8
135.04402	11.1
135.20883	7.6
137.99046	5.8
139.03853	8.5
149.05951	11.9
151.03941	23.5
158.07452	6.3
165.05463	62.9
167.07030	11.8
172.98912	7.1
177.05460	17.3
191.11543	7.2
192.74153	6.8
195.06558	13.9
205.68466	6.1
209.08090	20.6
217.15311	6.0
227.09120	6.5
243.13657	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	389.144
Annotation	Syringoxide
Peak:m/z	Relative Intensity
53.03928	7.6
60.21551	6.1
60.61716	5.3
67.26410	6.3
67.66830	6.6
71.02937	15.4
79.05496	15.6
86.34199	6.2
89.10027	6.4
95.04948	46.6
103.05435	11.8
107.04958	57.6
108.25462	5.9
108.89593	5.7
109.02869	59.6
109.06435	5.6
115.80118	7.3
121.06509	12.2
123.04423	16.7
125.02366	14.5
131.04863	7.6
139.03882	10.6
147.18794	6.4
149.05984	27.9
151.03911	100.0
165.05515	40.3
177.05464	67.1
195.06548	26.2
209.08092	15.6
304.53772	7.2
339.06448	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	389.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83174	6.7
58.61281	6.5
59.92299	8.5
71.02805	9.5
71.03117	9.2
79.05503	8.7
86.25375	6.8
90.47421	7.2
95.04971	41.2
99.85349	8.1
107.04950	90.5
109.02855	42.2
121.06493	18.5
123.04437	14.7
125.02374	15.0
139.03830	9.4
149.05931	26.9
151.03931	100.0
165.05464	45.8
167.07114	9.3
175.87335	7.1
177.05505	63.8
195.06491	31.6
197.42419	7.8
202.36610	7.7
203.12347	8.3
208.49821	8.4
209.08093	16.9
209.16383	8.0
285.52963	8.0
388.14310	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	389.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	7.9
55.13096	6.5
67.05503	7.5
69.73077	14.9
69.73499	28.6
70.59554	5.1
79.05482	12.4
81.03408	6.0
81.72858	6.0
82.54146	6.8
84.98424	5.8
91.05495	11.9
93.07037	8.4
95.04964	27.8
97.02928	6.2
98.21500	12.5
103.05458	6.6
107.04958	100.0
109.02871	44.1
121.06499	10.5
125.02356	6.2
135.04401	11.1
137.06010	7.1
139.03928	14.5
149.05986	24.9
151.03908	66.7
151.64937	7.4
152.04295	6.3
165.05472	42.2
167.07059	9.7
175.07487	11.5
177.05423	48.4
183.65099	5.9
195.06552	26.4
209.08109	13.4
209.15320	9.2
292.00476	6.2
303.19293	7.2
370.78656	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	13.5
65.03930	6.5
67.05504	5.5
69.87244	9.0
69.87646	13.9
79.05484	10.5
81.03415	5.5
85.02907	6.2
89.42844	3.7
91.05460	13.6
94.35600	3.4
95.04961	16.1
103.05466	63.9
105.07009	4.3
107.04953	23.3
109.02840	6.1
110.03690	4.9
117.30038	3.5
119.04905	4.8
121.06467	5.5
123.04398	10.3
129.06995	3.8
131.04916	100.0
133.06491	4.2
137.05949	21.3
145.06523	6.0
147.04379	7.4
149.05934	5.5
151.03886	15.0
151.07475	9.9
153.05466	4.0
153.06978	4.1
153.41922	3.6
157.06474	5.7
161.05962	10.0
163.07538	56.9
165.05438	13.0
165.30191	3.8
167.07077	21.4
174.06699	5.7
175.07553	49.0
177.05432	11.9
177.09207	4.3
181.04953	36.6
183.06480	6.7
185.09598	6.3
189.09010	5.0
195.08025	4.5
195.10123	8.1
199.08696	6.9
201.05356	3.6
205.08577	6.0
207.06500	16.3
209.08037	14.7
210.56747	3.6
213.10257	10.6
217.08525	6.3
219.10175	30.8
227.08270	8.1
227.11667	8.3
235.07433	5.0
241.09679	11.7
245.12875	4.6
255.07549	4.0
255.11172	15.5
268.07718	3.5
277.08603	4.3
283.10690	16.8
311.10208	12.2
311.41284	3.6
313.10815	4.6
325.10690	6.8
329.11255	49.3
357.10648	25.0
358.11279	4.6
371.14880	9.8
389.13043	5.6
389.16455	6.5
404.43192	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	387.201
Annotation	Sonchuionoside A
Peak:m/z	Relative Intensity
53.03938	2.2
54.34663	1.0
55.01870	2.0
55.05511	1.8
55.72984	1.1
57.03429	3.5
61.02922	2.6
65.03923	2.0
67.05501	4.9
69.03432	12.5
69.92889	5.0
70.06587	4.1
71.04997	1.5
71.53164	0.9
72.08128	1.5
73.02904	2.9
79.05477	5.1
81.03408	5.1
81.07056	5.9
83.04971	6.4
85.02899	18.3
86.09689	3.3
87.04466	2.0
88.02179	1.6
89.08769	1.1
91.05478	2.9
93.07045	5.2
95.04962	100.0
95.08611	6.2
96.05298	1.4
97.02885	12.9
98.20689	1.3
99.04501	2.7
100.34370	1.0
102.85245	1.2
103.05460	2.9
105.07030	8.3
105.07664	1.5
107.04948	4.6
107.08585	4.6
109.02871	3.1
109.06526	9.9
109.10170	3.2
111.04430	1.3
113.06021	3.2
113.40533	1.2
115.03925	7.8
117.07029	2.1
119.08577	2.7
121.06503	3.1
121.10141	2.4
123.04404	2.5
123.08056	4.3
125.02335	1.7
125.05975	1.2
127.03878	5.7
129.06999	1.3
131.04918	2.5
131.08549	2.4
133.06462	1.5
133.10156	1.5
135.04414	3.3
135.08046	2.7
137.05956	6.6
139.03909	2.3
145.04938	2.3
145.10109	2.3
147.04391	2.1
147.11714	2.1
149.05994	1.7
149.09633	1.3
151.03891	8.6
151.07530	14.5
153.05453	1.2
153.09068	2.3
159.11658	1.3
161.06012	1.8
161.13165	2.5
163.03871	1.9
163.11185	3.0
165.05452	3.2
165.12694	1.6
167.07028	3.5
169.08580	29.6
169.09944	2.0
171.11736	2.0
177.05487	2.9
181.12221	2.2
189.05357	1.1
189.12747	4.3
193.04904	1.3
195.06541	3.4
203.13637	1.2
207.13795	13.7
209.15373	4.8
225.07425	2.2
225.12599	2.5
225.14838	33.0
226.15079	1.6
335.13397	1.1
343.21689	1.1
347.50601	1.2
369.18805	2.0
387.16342	17.2
387.27515	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99648	0.5
53.03961	0.7
55.01878	6.1
55.05495	0.5
57.03435	0.6
65.03920	0.6
67.05499	1.2
69.03389	0.6
69.72719	0.6
71.12844	1.5
79.05486	1.0
85.02896	0.9
91.05477	1.8
93.07050	0.6
95.04930	1.5
97.06505	0.8
103.05464	2.2
107.04958	3.3
107.08559	0.8
108.04414	0.6
109.02899	1.0
116.23219	0.6
121.06521	1.0
122.03652	0.9
123.04379	0.7
129.07024	0.9
131.04904	1.4
137.05965	4.4
145.06445	0.8
146.05928	0.6
149.05963	1.4
151.03864	1.2
151.07506	1.0
157.06467	0.8
161.05986	0.6
163.07489	1.4
165.05458	1.3
165.10587	0.5
167.07076	4.3
170.09665	1.0
173.02454	0.6
175.07538	4.1
177.05478	3.5
179.07077	1.2
181.04964	7.1
181.07590	1.8
182.09607	0.9
184.06323	0.7
185.07111	1.1
185.10703	1.0
188.03410	1.0
189.09119	2.1
195.10426	0.6
198.07867	1.2
199.08672	34.2
200.09187	1.3
209.08144	4.0
209.10805	1.3
210.09186	0.9
211.08765	1.2
212.07318	0.5
212.09364	1.3
213.06586	3.7
213.10234	5.6
214.07129	0.9
215.08189	1.4
219.10205	3.3
224.07127	0.7
225.10080	0.9
226.10934	0.6
227.08160	32.5
227.11505	3.6
228.08762	2.3
229.06213	1.5
229.09767	1.9
237.10191	1.0
239.08257	1.1
239.11737	1.1
240.08983	2.2
241.06107	4.6
241.09711	10.7
243.07622	1.2
243.11331	1.1
245.12738	1.4
253.09642	1.6
255.07654	7.8
255.11304	11.0
256.08554	1.4
257.09253	3.7
265.09753	2.5
267.07718	0.7
267.11362	2.1
269.05551	1.8
269.09207	6.2
270.09839	1.0
283.07199	4.8
283.10779	18.3
285.12152	1.4
291.09964	0.7
293.09164	1.0
295.10751	3.1
297.08701	2.5
300.11160	0.9
301.08157	2.7
301.11566	1.0
311.05490	1.2
311.10257	12.4
313.11865	9.1
315.09723	1.3
329.07394	1.0
329.11325	15.3
339.09573	4.8
357.10812	100.0
358.11191	4.2
371.14828	1.3
375.11874	11.2
377.62851	0.6
389.13791	2.4
389.15729	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	387.201
Annotation	Corchoionoside C
Peak:m/z	Relative Intensity
61.30580	10.3
62.68390	10.6
65.79348	11.3
67.05505	21.0
69.03405	13.1
69.74659	10.1
70.99626	27.9
71.82868	10.2
86.95684	10.6
90.99287	10.2
91.05486	15.1
95.04985	16.2
95.08607	100.0
97.06526	11.7
105.06992	11.8
107.04929	12.6
112.59421	10.5
119.08578	21.4
123.08048	47.1
128.25816	12.6
135.11713	24.8
137.05974	15.6
137.09650	13.8
149.09615	30.1
158.83777	11.4
189.12657	18.0
207.13777	58.8
267.46146	11.6
366.01038	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	387.2013
Annotation	Sonchuionoside A
Peak:m/z	Relative Intensity
64.85559	7.5
67.05511	18.3
69.03423	27.4
69.07094	7.8
71.05001	7.8
71.06688	12.6
79.05490	29.1
81.03397	7.8
81.07043	28.2
85.02904	31.4
86.09692	10.4
91.05483	32.1
93.07043	76.5
94.92088	8.1
95.04957	14.2
95.08602	23.5
97.06535	9.8
103.05460	11.5
105.07031	35.2
107.04948	14.2
107.08593	91.7
109.06528	21.8
109.10156	17.7
116.86600	7.6
119.08584	50.8
121.06478	33.7
121.10133	66.4
123.08076	41.0
127.03999	7.6
131.08635	11.9
135.04411	12.0
135.08049	73.0
135.11707	55.6
137.05983	23.2
137.09608	51.1
145.04929	8.7
145.06548	12.8
145.10155	12.5
147.08026	16.4
147.11674	26.6
149.09641	47.8
151.03908	14.8
151.07536	12.1
159.11632	13.0
161.13278	19.1
163.11122	33.7
165.05501	10.0
165.09096	59.7
165.12723	12.7
167.07062	21.4
167.10686	31.7
177.12787	43.6
181.12241	100.0
189.12773	33.1
195.13818	17.2
207.13783	53.1
225.14836	77.9
255.33704	8.4
306.10504	7.3
309.11414	8.1
327.12256	8.0
387.14917	9.0
387.19977	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	387.2011
Annotation	Staphylionoside A
Peak:m/z	Relative Intensity
53.03939	8.5
55.01865	10.5
55.05508	31.0
57.03430	10.2
59.04995	2.7
61.02914	10.4
65.03943	3.3
67.05503	9.8
69.03429	40.9
69.07054	3.0
70.06580	8.9
71.01349	2.8
71.04995	8.0
71.50903	2.3
71.51285	3.6
72.08159	3.8
73.02910	7.6
79.05494	11.8
81.03410	17.4
81.07050	12.0
83.04977	64.2
83.08568	2.3
84.08130	5.9
85.02905	90.0
86.09694	10.1
87.04450	12.0
91.03952	4.6
91.05491	13.3
93.07059	12.1
94.04173	2.9
95.04965	36.5
95.08633	7.7
97.02883	37.1
97.06521	4.0
99.04443	19.5
103.05444	5.7
105.07051	11.9
107.04954	10.6
107.08585	21.8
109.02883	15.3
109.06531	14.0
109.10170	13.3
111.04453	4.5
111.08074	6.0
115.03914	4.4
115.05506	2.9
116.07097	3.3
117.06989	3.8
119.04993	3.2
119.08550	5.8
121.06505	6.0
121.10155	9.6
123.04420	6.4
123.08076	25.8
123.11698	6.6
125.02375	3.8
125.05990	7.6
125.09626	20.8
127.03928	19.9
131.04884	5.7
131.08556	3.6
133.04970	3.8
133.06506	2.8
133.10152	5.6
135.04428	9.2
135.07999	4.3
137.05980	38.8
137.09605	3.8
139.03899	2.9
139.07558	4.5
139.11168	4.8
145.04965	15.8
145.06451	5.7
147.04440	4.9
147.08055	3.6
147.11679	7.8
147.50189	2.2
149.05980	22.3
149.09621	23.1
151.03917	23.9
151.07533	17.1
151.11205	5.6
152.08273	3.3
153.05513	3.7
153.09114	5.9
154.65930	2.2
161.05910	3.5
161.09604	3.3
161.13187	4.2
163.11205	15.3
165.05467	11.9
165.12759	15.0
167.03511	2.7
167.07043	19.6
167.10727	6.4
170.53519	2.1
173.05942	3.0
177.05507	19.5
179.06987	3.4
181.04951	6.9
181.12186	3.8
181.41028	2.3
187.07468	3.1
189.12711	8.5
191.06894	2.8
193.05013	5.3
195.06512	7.1
197.11780	4.2
198.11856	2.5
199.03931	3.1
203.72163	2.4
207.06570	3.8
207.13811	29.7
223.07611	2.4
225.07526	5.1
225.11360	3.8
225.14854	100.0
226.14806	2.4
233.08023	2.6
235.07436	2.5
249.14848	2.8
283.09766	2.7
311.09073	4.4
326.11404	6.1
327.12134	4.0
328.23190	2.4
337.10571	5.6
355.11771	6.6
357.13223	2.8
366.97595	2.3
369.13947	7.0
372.18219	2.4
387.15991	61.5
387.20386	12.1
388.16235	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	387.1435
Annotation	(-)-(3S,4R,6S)-3-(3',4'-Methylenedioxy-alpha-hydroxybenzyl)-4-(3'',4''-dimethoxybenzyl)butyrolactone
Peak:m/z	Relative Intensity
51.00056	0.6
53.03935	0.6
55.01883	3.0
65.03925	2.2
65.62223	0.6
67.05479	1.1
67.68942	0.6
70.80200	0.6
70.80530	1.4
73.80803	0.6
78.04690	0.7
79.05477	2.4
81.03412	1.1
81.07037	0.9
85.02876	1.2
91.05478	2.9
93.03415	0.6
94.04183	3.3
94.73353	0.5
95.04950	2.0
97.06533	1.0
97.79089	0.6
103.05455	3.0
104.80003	0.5
105.07011	1.1
106.04153	1.3
107.04942	4.2
109.06441	0.6
110.03617	0.6
111.04426	0.7
115.05458	2.4
117.07006	2.1
118.04150	1.0
119.04957	1.2
121.02850	1.0
121.06514	0.7
122.03650	6.8
123.04412	2.4
124.05204	1.1
125.05953	1.3
128.06219	0.7
131.04922	4.7
133.02751	0.8
133.06528	1.3
134.03635	0.8
137.05968	100.0
138.03195	0.7
138.06306	1.3
142.02643	0.7
143.04922	3.8
144.05695	0.8
145.06459	4.3
146.03490	0.5
147.04420	0.8
147.08067	0.8
147.89806	0.6
148.05167	1.6
149.05959	0.9
151.03911	7.8
151.05009	1.3
152.04578	0.7
153.05498	1.3
155.05986	1.0
160.05188	0.8
161.05940	1.6
163.07529	2.4
165.05492	1.2
167.07027	29.1
168.07387	0.9
171.04329	0.9
171.06520	1.3
173.05998	4.4
175.07559	2.8
177.05482	3.0
178.07742	1.1
179.07042	0.8
181.04945	23.9
181.06317	0.9
182.05409	0.6
185.05986	1.0
187.07568	1.5
189.05389	1.1
189.06990	1.2
191.07005	8.7
191.08556	0.9
192.07745	1.7
195.06490	3.1
197.05954	0.8
201.05359	0.8
203.06950	3.4
203.08633	0.8
205.06543	1.5
205.08594	4.3
206.07260	1.5
207.08060	1.7
209.06110	0.9
213.05618	0.9
215.07022	2.7
218.07234	1.0
219.08032	2.2
221.09676	1.0
223.07454	1.2
227.07022	1.0
231.08087	3.1
233.06064	1.2
233.07887	2.7
234.06715	2.0
235.07503	1.9
235.09682	1.7
237.09076	0.7
244.05072	0.7
247.07597	3.1
248.08218	1.7
249.05505	1.1
249.09111	2.7
250.06183	1.4
251.07011	1.3
252.07709	0.9
258.06671	0.7
259.07388	1.2
260.08221	1.3
261.05521	1.1
262.06244	1.1
263.07010	1.7
264.07770	1.8
265.08701	1.4
266.09250	0.8
275.06934	1.8
276.07901	2.2
277.08749	3.0
278.09390	1.3
279.06488	0.9
279.10126	2.7
281.11569	0.8
287.07001	2.4
290.09216	0.8
291.07123	0.7
291.10208	3.9
293.08063	1.9
294.08771	1.5
295.09442	1.0
299.09042	0.7
304.07257	1.4
305.08044	5.8
306.08701	1.1
307.06100	1.2
307.09619	4.0
309.11200	2.0
311.09134	0.7
311.12610	1.0
312.10007	0.8
319.09604	5.1
322.08151	0.9
323.09332	0.8
324.09848	0.7
325.10608	1.6
327.12454	1.0
337.10672	11.1
338.11356	1.4
339.12350	4.3
351.12195	5.9
357.13306	14.2
369.13187	4.7
387.14340	33.2
388.14630	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1437
Annotation	(-)-(3S,4R,6S)-3-(3',4'-Methylenedioxy-alpha-hydroxybenzyl)-4-(3'',4''-dimethoxybenzyl)butyrolactone
Peak:m/z	Relative Intensity
52.67673	0.4
55.01868	0.8
59.76038	0.4
65.03937	1.7
67.05506	1.3
67.68784	0.4
70.80449	1.3
72.82989	0.5
79.05486	1.8
85.02884	1.1
91.05481	1.3
94.04193	3.1
95.04965	1.3
97.06521	0.7
103.05450	3.3
105.07066	0.5
107.04956	1.4
109.06422	0.4
115.05442	1.8
117.07017	2.1
118.04158	0.7
119.05042	0.4
119.67065	0.5
122.03648	7.5
123.04420	1.0
131.04987	2.6
132.05684	0.7
133.06419	0.6
136.07602	1.0
137.05980	100.0
138.03085	0.4
138.06311	2.5
143.04924	2.9
144.04071	0.4
145.06473	2.5
148.05196	1.6
151.03918	9.1
151.05009	0.6
153.05498	0.9
155.06070	0.6
161.05927	0.8
163.07542	2.8
167.07034	11.0
171.06590	0.7
173.05997	3.6
175.07587	1.4
177.05519	0.9
181.04959	17.1
191.07037	10.5
192.07547	0.5
195.06508	0.5
203.07074	2.2
205.06786	0.6
205.08650	1.9
219.07941	0.6
231.08008	0.5
233.08231	0.6
234.06680	0.6
235.07539	0.5
235.09557	2.0
262.06284	0.6
265.08606	0.6
277.08560	0.6
291.10117	0.8
305.08060	1.5
307.09924	0.6
319.09695	1.0
327.12589	0.5
337.10675	1.9
339.12317	0.9
341.13876	0.7
351.12097	1.1
355.11749	0.5
357.13327	11.6
358.14035	0.7
369.13388	1.1
387.14386	26.4
388.14676	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.122
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92910	0.7
53.65228	0.8
55.01866	0.9
56.96557	3.9
57.03416	1.2
61.02931	0.7
61.81380	0.6
63.79457	0.7
65.03924	0.8
67.05502	1.0
69.03429	2.1
69.78093	3.6
74.00681	1.5
76.03999	0.8
79.05502	1.3
81.03421	1.1
83.00051	0.8
83.04970	2.1
84.04487	1.0
85.02909	5.2
85.04015	1.3
89.03910	3.1
91.05493	1.2
93.03401	0.7
93.47906	0.6
94.04174	1.3
95.04966	2.5
97.02877	2.2
98.97562	2.0
100.02204	1.0
103.05451	2.0
105.07001	1.4
106.91501	0.8
107.04958	4.1
109.02877	1.0
111.04449	3.4
113.03506	0.9
116.98613	1.4
117.03370	2.1
119.37172	0.6
121.02792	0.7
123.02659	3.3
123.04426	2.0
123.73605	0.6
124.03961	0.7
127.03925	1.0
128.98630	1.0
129.05495	0.8
130.04176	0.7
130.05023	2.1
131.04675	1.6
132.05795	0.8
133.02956	0.9
133.05032	0.8
133.06517	0.8
134.01857	2.5
134.99644	1.2
135.02632	1.9
135.04404	3.6
135.41255	0.7
139.03914	2.2
145.02873	2.2
145.04935	1.1
145.06465	0.8
146.03731	0.8
146.06015	1.5
147.04430	2.4
148.05096	1.0
149.02344	1.6
150.01421	0.9
150.03094	1.6
151.02118	7.5
151.03862	1.7
152.04726	1.2
157.05019	0.8
158.99565	1.0
161.01596	1.0
161.06020	1.1
162.01329	9.2
162.03195	1.0
163.02164	2.7
163.03893	17.3
164.04265	1.4
164.06982	0.8
165.05499	1.3
167.03378	3.0
167.07042	8.0
176.04636	0.9
176.07008	1.7
177.00601	1.0
177.03107	3.4
179.01633	9.8
181.03246	1.1
181.08586	1.1
183.03256	0.8
190.00824	6.8
191.01622	1.8
191.07025	7.0
192.06447	13.5
192.07861	2.2
193.08630	1.5
195.03001	1.5
195.06642	0.9
195.08832	1.2
207.01204	0.9
207.08900	21.5
207.13588	0.7
208.01895	7.1
208.09409	1.9
211.04245	2.1
213.05875	1.3
219.01703	1.2
221.04927	0.7
223.04236	100.0
224.04503	3.8
237.02795	2.8
239.07547	1.0
241.03882	0.9
249.05788	1.2
254.08435	1.1
257.07056	0.9
266.08551	2.6
267.06998	1.0
277.05249	3.3
307.07147	1.0
357.11102	2.0
369.11194	5.6
370.40448	0.8
382.07455	0.7
387.10944	2.2
387.16238	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.2
55.01862	2.6
55.05514	1.5
57.03431	2.0
61.02909	1.9
63.78719	1.0
67.05510	2.7
69.03429	8.1
69.07069	1.5
70.06595	7.8
71.05011	1.5
71.51121	1.8
72.08154	2.4
73.02896	1.7
79.05493	5.2
81.03426	3.8
81.07048	1.3
83.04977	2.8
84.04498	2.1
84.08134	3.6
85.02905	10.8
86.03242	1.2
86.09698	4.5
87.04487	2.4
91.05482	3.5
93.07062	3.4
95.04971	33.3
95.05579	1.7
97.02895	7.3
99.04459	3.4
103.05498	2.6
105.07046	4.0
107.04963	15.7
107.08583	2.2
109.02868	5.0
109.06552	2.4
111.04427	2.7
115.03934	2.2
116.07100	2.2
117.06990	1.9
119.04951	2.5
119.08532	1.5
120.08092	1.4
121.06520	3.7
123.04406	6.2
123.08057	1.5
124.03963	1.1
125.02370	8.7
125.05990	1.6
127.03921	2.6
129.10251	1.7
131.04939	1.3
133.02899	1.7
133.04984	3.2
133.06456	1.4
133.10141	1.1
135.04405	5.7
137.05984	7.3
138.06311	1.0
139.03899	12.1
145.04994	1.8
145.06525	1.0
145.10176	1.4
147.04378	2.5
149.05978	7.0
149.09639	2.2
151.03906	30.3
151.07538	2.7
152.04276	1.2
153.05487	3.4
153.09119	4.0
161.05931	1.1
163.07542	2.1
163.11229	3.0
165.05504	3.0
165.06924	1.0
165.12772	1.3
167.03413	3.2
167.07043	5.6
177.05478	7.0
177.12698	1.1
181.04976	2.5
181.12219	1.4
189.12830	2.2
191.06956	1.3
195.06538	7.8
201.05621	1.2
207.13753	5.6
225.14842	2.9
229.15410	1.1
266.07233	1.0
270.12759	1.1
343.13724	2.2
387.16296	100.0
388.16714	1.4
406.00174	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	5.8
54.33664	3.4
55.01867	7.9
55.23441	3.0
57.03439	19.8
59.04993	3.3
60.04524	4.8
61.02918	5.6
67.05485	3.5
69.03090	5.4
69.03426	56.0
70.06592	17.8
71.01329	5.2
71.51104	6.6
72.08128	5.2
73.02930	21.7
79.05482	8.5
81.03407	9.3
81.07050	6.1
84.08138	6.0
85.02901	100.0
85.91954	3.2
86.09690	6.4
87.04462	34.9
91.05460	13.1
93.07019	4.2
95.04386	5.6
95.04967	60.8
97.02310	4.6
97.02891	62.7
99.04462	3.8
103.05435	5.7
105.04523	3.0
105.07030	4.8
107.04969	23.9
109.02876	16.5
109.06522	6.1
111.04395	5.4
115.03923	54.2
117.07023	4.8
119.04916	10.1
120.08076	20.2
121.06496	8.1
123.04441	10.8
125.02378	15.0
127.03896	26.6
131.04918	8.8
131.07576	2.9
132.05336	3.5
133.02859	3.6
133.04959	65.0
133.06468	4.7
134.09683	3.2
135.04408	11.2
136.07600	17.7
137.05026	4.6
137.05983	51.6
139.03909	10.2
145.04959	42.8
145.06113	4.8
145.06514	4.1
147.04401	19.4
147.08157	3.4
149.05960	12.2
150.05305	2.7
150.07637	4.2
150.87621	2.8
151.03899	45.9
151.07506	9.1
153.05469	9.0
153.09026	3.5
153.54187	2.7
163.03947	4.2
163.05977	15.9
163.07407	6.2
165.05409	4.4
165.09018	3.8
167.07024	6.6
177.05457	8.9
178.08577	3.4
179.07059	5.5
181.04953	3.2
181.08580	16.7
191.10651	6.0
195.06519	9.2
206.11722	4.2
207.10158	17.7
207.13818	4.2
224.09317	3.8
224.12556	17.9
225.14880	3.7
237.13376	4.5
247.79022	2.9
259.08224	4.0
283.14432	6.6
295.10507	3.3
371.16992	4.7
386.14392	20.8
386.19104	4.6
387.16272	78.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.202
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92385	1.9
55.01872	2.7
57.03204	2.2
57.03441	27.3
61.02932	15.2
69.03426	25.7
69.07093	2.2
70.06581	3.3
70.38299	2.0
70.38635	6.4
71.01362	2.3
73.02918	56.2
79.05471	2.9
81.03406	6.1
85.02902	100.0
86.09701	2.2
87.04451	3.5
91.03942	5.9
95.04963	5.8
97.02317	3.1
97.02892	45.8
99.04444	3.2
100.07550	1.9
103.05507	2.2
107.04951	4.2
109.02864	7.6
115.03936	23.7
120.08131	2.5
121.06487	2.2
123.04455	4.2
124.07573	3.9
127.03927	25.3
132.04314	2.4
133.04980	10.7
135.04396	2.9
137.05986	11.5
145.04964	48.1
146.06133	2.1
150.07645	3.8
151.03944	4.9
161.05907	2.5
163.06039	28.5
163.11182	2.6
164.07007	2.4
167.03348	3.7
167.07045	24.6
177.05502	3.4
193.04695	2.4
195.06590	2.3
207.13893	2.2
210.10107	2.8
223.06004	4.4
224.06291	7.3
237.13376	4.6
241.07089	4.2
368.09537	2.8
386.17322	5.8
387.15991	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	385.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.7
55.01869	26.7
55.05511	100.0
57.03432	28.5
57.07070	5.2
60.93970	2.8
64.28863	3.0
65.03926	5.1
67.01870	6.2
67.05505	79.9
69.03417	12.6
69.07062	27.7
69.51866	24.4
70.06575	3.8
71.04982	5.0
71.08630	36.9
79.05492	77.1
81.03416	29.0
81.07056	74.6
83.04976	39.0
83.08620	55.9
85.02891	7.8
85.06529	7.3
87.04454	3.2
91.05480	40.4
93.07040	51.7
95.04971	44.6
95.08604	32.7
97.02886	6.1
97.06525	23.1
97.10163	64.0
99.04486	2.8
99.08083	25.9
103.05473	6.1
105.07018	28.3
107.04919	19.3
107.08586	50.2
108.08885	3.3
109.06528	10.3
109.10160	22.5
111.04433	31.8
111.08081	16.0
115.05466	5.4
117.07021	17.5
119.04977	2.9
119.08573	19.0
121.02877	3.3
121.06486	6.6
121.10133	21.8
123.04435	4.7
123.08079	9.7
123.11640	3.4
124.44025	2.7
125.06029	3.8
125.09628	65.9
126.09808	3.1
128.06244	9.2
129.07024	14.6
131.04967	3.9
131.08565	16.9
133.10092	11.0
135.08031	15.4
135.11667	15.7
137.05974	6.9
137.09610	3.6
137.38097	2.8
138.05521	2.8
139.11185	5.7
141.06993	9.4
142.07710	4.4
143.08582	6.5
143.10683	4.5
145.06511	5.6
145.10106	23.6
147.08043	6.2
147.11705	9.4
149.09598	17.5
149.13266	4.4
151.11232	8.0
153.01817	72.9
153.05518	3.5
153.06946	5.7
153.09093	13.3
153.12706	7.8
154.02257	3.6
155.08554	11.8
157.06502	8.1
157.10129	5.8
159.11717	9.0
161.05968	5.4
161.09677	4.3
163.03976	6.3
163.11176	47.2
165.05513	4.4
165.06966	4.9
165.12856	7.2
167.07066	5.2
167.08591	7.8
167.10695	7.0
169.06441	6.7
169.10167	7.1
171.02898	24.4
171.08067	4.5
171.10156	5.7
173.02426	3.8
173.05988	5.2
173.09622	6.3
173.11784	3.2
175.11182	5.2
177.12733	8.5
179.03487	8.1
181.05011	4.3
181.06529	3.2
181.10251	3.5
181.12236	16.0
181.78275	3.3
187.07500	3.5
189.09375	5.9
189.11209	77.9
191.08643	3.6
191.10660	8.8
193.12204	8.3
195.08006	5.0
195.13824	12.9
201.05537	5.2
205.12181	3.3
207.08069	4.2
209.09534	4.1
215.07021	5.9
217.04959	9.4
223.07701	2.8
223.13309	9.9
227.12714	21.4
229.14465	3.7
235.07552	3.7
237.09164	4.8
245.13731	2.9
247.07317	4.4
247.20541	6.1
257.18939	4.3
258.04779	3.2
259.05099	5.8
259.09650	7.1
275.20041	39.0
279.17227	3.1
288.05353	3.8
293.21085	99.5
294.21436	5.1
307.16898	3.6
311.12668	4.2
311.22299	3.8
312.12424	3.3
313.05963	4.4
317.60696	2.9
323.09216	4.1
325.18085	5.7
329.13760	7.5
335.16495	6.9
349.23801	4.5
350.18768	3.1
353.17413	8.6
355.11975	6.2
357.12854	3.5
367.18979	5.0
367.24722	14.7
385.12650	44.6
385.16776	10.2
385.20337	8.7
385.25803	34.0
403.12036	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	385.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02408	0.3
51.42995	0.3
53.79500	0.4
54.46332	0.3
55.01859	0.9
56.31947	0.3
65.03918	0.6
66.04710	0.5
67.05486	0.7
70.10314	0.3
71.01987	1.0
71.02340	0.3
79.05503	2.3
81.07043	0.6
91.05479	4.3
93.07024	1.6
94.04160	2.2
95.04965	1.1
103.05470	2.8
104.06234	0.4
105.07016	4.1
107.04958	2.3
107.08579	0.9
108.05706	1.0
109.06499	1.1
115.05441	4.8
117.07005	2.8
118.06554	0.5
119.04932	2.2
119.08597	0.7
121.06483	1.7
122.03644	7.3
123.08073	2.6
125.06007	0.5
128.06223	5.5
129.06978	1.0
131.04944	2.3
131.08586	0.6
132.05716	1.8
133.02850	1.9
133.06482	5.7
135.08051	1.2
136.05209	1.2
137.05972	100.0
138.06299	2.0
143.04919	3.8
143.08560	7.5
144.08847	0.5
145.06462	2.1
146.03621	0.8
147.04440	1.4
147.08023	2.3
149.06001	0.9
149.09595	1.0
151.03920	1.2
151.07533	31.9
152.07893	0.9
153.64084	0.4
155.05984	0.4
155.08545	0.9
156.76884	0.4
157.06464	1.1
159.08047	0.6
160.05209	4.2
161.05965	2.4
161.09595	0.6
162.03183	0.5
162.06744	0.4
163.07559	3.0
165.05476	1.8
165.06873	0.6
165.09169	2.8
167.07043	0.9
169.06502	0.5
171.04326	0.6
171.08047	11.1
172.05336	0.4
173.06027	0.7
174.06741	0.7
175.07541	36.2
176.07901	1.1
177.05450	3.7
177.09071	3.3
179.07022	1.4
181.04964	0.4
183.08141	0.6
183.51363	0.4
185.05797	0.4
187.07588	1.6
188.04684	0.5
188.08310	0.7
189.05466	2.0
189.09119	3.7
191.07050	2.2
191.10686	0.4
193.08553	0.9
195.10156	13.6
199.07617	0.6
201.09087	0.8
202.07796	0.6
203.07011	5.0
203.08676	0.7
203.10652	7.4
205.06381	0.6
205.08565	0.5
209.08076	0.8
211.07596	0.7
211.69382	0.4
215.06941	0.6
215.10725	0.7
217.08560	1.6
218.07312	0.5
219.08005	1.0
219.10173	2.5
221.07962	0.8
229.10165	0.9
231.08153	2.0
233.06033	0.4
233.09570	0.5
233.11642	0.5
234.06874	0.5
235.07582	0.9
235.09694	0.7
236.08273	0.5
237.09021	0.6
243.10237	0.8
245.09796	0.6
246.10460	0.4
247.07616	1.9
247.11102	0.4
248.08350	1.7
249.09125	1.2
251.10622	0.5
257.09518	2.0
258.10178	0.4
259.07492	1.2
261.09000	0.6
261.11389	0.8
262.09830	0.5
263.07031	0.9
263.10684	0.9
264.07950	0.9
265.08578	1.3
266.11896	0.5
267.10455	0.4
271.07663	0.4
273.09024	1.0
274.09839	1.5
275.07065	0.6
275.10684	1.1
276.07849	0.9
277.08505	1.9
278.09375	1.1
279.10196	1.2
280.10855	0.5
281.08466	0.4
281.11566	0.5
285.09079	1.6
289.08762	0.7
289.12097	1.0
291.06906	0.6
291.10101	3.2
292.10980	0.6
293.07999	1.7
293.11554	0.8
294.11752	0.4
297.11252	1.2
302.09375	1.3
303.10330	1.7
305.11780	1.2
306.08881	1.4
307.09891	0.9
307.13324	1.1
308.10355	1.8
309.11249	0.8
310.12094	0.4
311.12762	2.4
313.14346	1.0
317.11716	4.3
318.12567	0.6
320.10242	0.4
321.11197	3.4
322.11148	0.7
323.12723	6.5
324.13336	0.7
325.14313	0.8
334.12033	0.8
335.12741	5.5
339.12244	1.3
339.15948	2.1
341.13840	0.8
349.14301	3.7
354.13446	1.0
357.17072	1.4
367.15350	11.5
368.15720	0.5
385.12296	0.6
385.16562	6.5
386.16211	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.3
55.01839	2.6
65.03929	1.8
67.05499	4.0
69.03419	3.3
70.06585	6.6
79.05487	7.0
81.03425	2.9
81.07049	1.8
83.51633	1.5
85.02924	3.4
87.90009	1.5
91.05490	15.9
93.07043	4.6
95.04956	4.3
95.08611	1.6
103.05464	5.3
105.06998	9.8
106.04262	1.7
107.04955	12.7
109.02892	2.0
109.06520	1.8
109.10136	1.6
109.86581	1.7
115.05433	5.2
117.06995	4.9
119.04942	6.6
119.08575	3.1
120.08096	2.9
121.06493	6.8
121.08405	1.9
122.03659	3.7
123.04426	3.3
128.06207	4.5
129.07013	8.7
131.04933	7.0
131.08597	3.2
131.67686	1.9
133.06433	2.4
135.08029	3.5
137.05978	29.0
141.06949	2.7
143.08577	2.2
145.06502	5.8
145.10158	2.3
146.07227	3.1
147.04414	5.2
147.08061	4.0
148.05200	4.4
149.05980	6.5
151.03876	6.4
151.07561	15.8
155.08588	2.3
157.06462	5.4
158.42326	1.5
159.08012	4.2
160.05151	2.3
161.05978	100.0
161.09616	16.2
162.06383	3.1
163.07573	6.3
165.05487	4.4
165.07021	3.6
165.09114	2.1
166.07756	1.9
167.07036	27.4
167.08464	2.9
170.07381	1.9
171.04451	2.1
171.08040	3.0
173.05974	3.9
174.06790	5.1
175.07553	42.6
176.07916	1.7
179.07108	2.3
181.04951	3.6
181.06400	2.3
181.08643	2.0
181.10114	2.4
185.05954	6.5
187.07469	2.8
189.05531	2.2
189.09113	38.7
191.07036	5.7
191.08611	2.4
193.08594	3.0
194.07352	1.7
195.06485	2.4
195.10056	1.8
199.07524	3.6
201.05504	8.0
201.09039	3.4
203.06946	3.9
205.06487	2.4
205.12250	2.2
206.07208	1.9
207.08141	2.2
207.10124	24.8
208.08794	2.7
211.07495	2.7
213.09187	3.2
215.08534	2.3
217.08533	3.3
219.08099	3.3
221.05943	4.0
223.07646	1.9
223.13258	2.7
225.09079	1.8
227.06998	1.7
231.08101	3.0
231.10258	5.0
233.09598	3.8
234.06729	2.8
235.07404	2.9
237.09044	4.0
245.09360	1.7
247.07585	2.6
248.08252	1.7
249.09064	4.3
250.09959	1.7
251.07120	2.6
251.10732	4.7
253.08551	2.0
261.09073	4.1
264.07785	2.2
265.08575	7.7
267.09677	2.0
275.10660	1.9
276.14948	1.6
277.08566	5.3
277.11978	1.8
278.09109	1.9
279.10208	8.7
281.07944	2.2
283.09338	3.1
291.09790	2.6
293.08096	5.0
297.11179	2.5
305.11676	2.5
307.09589	5.9
309.11301	7.5
310.11835	1.9
311.12781	22.3
317.11703	2.4
321.11234	2.2
323.09076	2.1
323.12704	6.0
325.10773	4.0
325.14279	3.1
335.09064	3.1
335.12772	2.6
335.54602	1.7
337.14212	7.7
339.12283	2.8
341.13879	4.5
349.14365	3.2
353.10016	4.3
355.15427	6.7
357.13483	2.4
367.15430	5.5
385.12103	8.6
385.16669	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1283
Annotation	4'-Demethyldeoxypodophyllotoxin
Peak:m/z	Relative Intensity
53.03955	10.8
55.01867	25.3
56.07639	5.3
56.17773	5.4
65.03962	6.5
67.05499	11.2
69.03422	8.5
69.31636	52.3
70.06596	11.6
70.47025	5.8
71.04993	6.7
79.05498	29.1
81.03392	14.8
81.07043	5.6
83.01333	10.7
87.04481	10.1
91.05463	40.2
95.04962	39.8
97.02901	8.4
98.21497	9.2
103.05463	17.5
105.03349	8.6
105.07042	19.4
107.04949	35.2
108.39468	5.2
115.05455	25.8
117.07030	23.0
119.04952	12.1
120.08127	6.9
121.06533	13.4
123.04433	20.1
125.02368	8.9
128.06210	26.9
129.07018	37.6
130.31181	5.2
131.04921	19.0
131.08592	9.0
133.02887	12.0
133.06497	18.3
135.04407	12.3
136.10773	5.9
137.05956	20.7
138.05479	11.2
139.03914	9.3
141.07001	34.1
143.08578	16.2
145.06468	25.7
147.04390	12.1
147.08083	9.0
149.06000	10.4
151.03912	52.5
152.06224	18.0
153.05641	12.8
153.07002	45.7
155.04930	10.9
155.08553	21.0
157.06488	35.6
159.04401	16.6
159.08034	10.7
161.06013	16.1
163.03943	6.8
165.05487	47.2
165.07014	64.5
166.07791	35.4
167.07109	14.1
167.08604	27.2
169.06458	18.5
170.07269	12.0
171.08067	20.9
172.05095	5.3
173.06009	14.6
175.03888	8.0
175.07515	16.2
177.05496	9.6
178.07764	38.5
179.08507	31.5
180.09265	15.4
181.05028	10.9
181.06456	52.4
181.10110	30.1
182.07249	13.2
183.04561	11.6
183.08051	34.0
185.06027	26.1
185.09702	7.8
187.03935	10.0
187.07500	7.5
189.05469	34.8
189.06927	10.3
190.07779	38.4
191.07014	9.7
191.08568	34.2
192.09305	10.2
193.06561	10.9
193.10141	16.3
194.07257	22.9
195.08086	22.5
195.11748	10.8
197.05978	9.8
197.09641	18.4
198.06734	7.4
199.07550	18.1
201.05481	12.7
202.07825	27.1
203.06894	30.4
203.08565	21.5
204.09317	12.8
205.06697	7.5
205.08426	8.1
205.10146	49.8
206.07419	6.8
207.08040	29.0
208.08839	14.0
209.05977	44.6
209.09540	38.3
210.06683	12.6
211.07596	45.0
213.05365	13.4
213.09064	11.1
215.06937	16.2
215.08611	44.2
217.04918	8.7
217.08394	6.6
217.10201	13.4
218.07266	25.1
219.08086	16.6
221.05972	14.8
221.09612	17.8
222.06715	6.3
223.07545	9.7
223.11208	21.5
225.05519	18.3
225.09166	15.0
227.07022	34.1
227.10660	7.6
229.04912	6.7
229.08640	12.9
231.08218	9.8
232.08897	7.4
233.04456	15.2
233.09602	73.4
235.07549	22.2
235.11243	9.8
236.08438	10.7
237.05490	41.9
237.09091	42.8
238.06306	7.2
239.06998	20.8
239.10675	6.8
241.05179	7.0
243.08110	12.5
245.09650	8.8
247.07559	16.9
249.09100	11.0
250.06232	7.4
251.07051	6.0
251.10638	46.9
253.08682	19.5
255.06514	31.7
255.10210	19.3
261.09122	77.5
261.11581	7.3
262.09512	7.8
263.07037	6.4
263.10678	7.3
265.05371	8.7
265.08591	84.1
267.06631	12.0
267.10040	10.6
269.08115	13.1
269.11694	16.0
277.08646	16.5
278.09457	7.2
279.10175	97.3
280.10669	8.6
281.07983	16.8
283.06049	31.7
283.09644	40.4
284.06812	7.1
285.07553	6.5
289.08594	32.8
291.10123	12.3
293.04462	5.6
294.83453	6.9
297.07886	12.7
297.11008	48.0
299.09180	13.4
307.09619	88.5
309.11307	12.3
315.08817	9.0
315.12216	24.8
317.08032	11.9
318.53250	6.2
321.11273	19.8
325.10773	82.1
326.10751	7.2
327.11563	6.4
335.09210	60.8
339.12289	23.1
341.13986	10.7
349.10663	17.0
353.10220	94.9
357.13367	10.3
367.11761	52.0
367.15726	8.0
385.12729	100.0
385.16855	11.5
386.12747	6.8
404.84058	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	385.1279
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20380	3.8
53.03936	14.2
55.01855	12.6
55.05497	6.4
65.06994	4.0
67.05494	18.1
69.03418	9.2
69.77140	16.5
69.77545	7.0
71.04976	7.7
77.31678	4.1
79.05494	26.2
80.83113	4.4
81.03413	13.2
83.01354	4.9
83.04997	4.0
91.05486	52.8
93.07057	5.3
95.01356	4.3
95.04967	47.8
98.20840	5.1
103.05454	17.0
105.03379	10.6
105.07014	22.0
107.04960	46.4
109.02850	5.9
109.06505	5.8
111.04445	4.6
115.05453	18.9
117.07038	15.2
118.14146	5.4
119.04913	10.6
119.08567	8.5
121.02901	7.4
121.06473	11.1
122.73826	4.0
123.04441	11.7
128.06244	25.4
129.07022	47.1
130.10745	4.0
131.04921	20.1
131.08554	13.3
133.02852	12.7
133.06485	12.9
135.04419	21.2
137.05960	13.2
139.03886	8.5
141.06953	34.6
142.07764	4.7
143.04926	6.1
143.08531	12.5
144.05659	4.7
145.06496	22.8
147.04355	11.4
147.08041	14.5
149.05997	10.9
151.03902	33.3
152.06203	18.2
153.06979	40.2
154.07741	9.4
155.04890	7.6
155.06020	6.0
155.08565	28.4
157.06473	27.8
157.10071	9.2
159.04401	13.4
159.08051	12.3
161.05983	14.3
165.05469	54.1
165.07008	63.8
166.06319	5.2
166.07767	26.1
167.07021	22.2
167.08540	27.3
169.06461	18.1
170.07286	4.6
171.08052	12.6
173.05942	20.4
175.07545	14.4
177.05457	9.0
177.06943	5.0
178.07729	30.7
179.08522	37.1
180.09329	10.4
181.04977	6.5
181.06464	41.3
181.10139	28.8
182.07227	12.7
183.08069	34.6
185.05989	27.2
185.09589	7.7
187.03967	5.2
187.07481	8.4
189.05460	12.9
189.06981	11.6
189.08945	5.3
190.07758	31.6
191.07016	5.8
191.08505	26.2
193.06543	6.9
193.10106	7.0
194.07230	22.2
195.07983	27.0
195.11685	7.8
197.05957	19.7
197.09590	11.6
199.03905	5.5
199.07550	20.1
199.11147	6.6
201.05487	12.3
201.17844	3.9
202.07841	11.6
203.07014	42.5
203.08618	11.3
204.09196	8.9
205.06599	5.8
205.10135	40.6
207.08040	16.6
208.05121	4.8
208.08791	6.9
209.06021	25.2
209.09624	30.3
210.06747	9.7
211.07518	60.9
213.05487	17.6
213.09079	9.9
215.06772	8.6
215.08717	26.3
217.04924	6.3
218.07233	16.5
219.08040	17.8
221.05847	7.1
221.09633	10.2
222.06911	4.3
223.07596	10.0
223.11224	21.3
225.05493	13.3
225.09081	10.5
227.07062	49.3
227.10693	11.2
228.07545	6.7
229.08646	16.4
233.09572	38.5
235.07530	19.4
236.08206	6.5
237.05484	32.5
237.09096	58.3
238.09665	4.9
239.07001	13.8
239.10785	7.8
241.08455	6.2
241.12196	4.9
243.08205	5.7
245.09618	7.6
246.06697	7.8
247.07484	9.4
249.09204	6.9
251.07013	8.4
251.10663	44.5
253.04921	4.5
253.08536	29.5
253.12259	4.9
255.06537	44.0
255.10141	39.1
256.07056	7.0
257.07999	6.1
259.07523	7.1
261.09094	49.4
263.06979	8.1
263.10672	5.9
264.07886	6.1
265.05353	9.4
265.08572	100.0
266.09351	6.1
267.06491	5.5
267.10098	5.2
269.08157	10.2
269.11618	11.5
271.05753	6.6
279.10147	56.0
280.07233	7.4
281.05090	5.2
281.08057	18.2
281.11249	6.0
283.05984	41.4
283.09644	65.4
285.07544	5.9
287.09213	9.9
287.12390	4.6
289.08688	19.8
290.08875	5.3
293.08145	6.4
297.07816	7.4
297.11124	25.1
299.05634	5.5
307.09625	57.7
308.10132	6.7
313.10544	5.8
315.08810	7.9
315.12292	32.8
317.08038	11.2
325.10693	46.3
335.09134	53.0
336.09216	5.1
339.12183	12.5
341.14139	5.4
349.10629	13.0
353.10153	92.7
357.13199	10.1
367.11703	49.9
385.12741	69.6
385.17068	7.5
386.13165	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	385.1279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	11.6
55.01868	19.6
55.05508	6.2
56.78567	3.6
57.03432	4.8
65.03936	6.8
67.05495	14.6
67.22228	3.3
69.03421	14.6
69.78533	18.0
69.92261	3.2
71.01350	8.3
71.04994	4.9
77.03924	4.2
79.05489	29.0
81.03405	13.9
81.07064	6.8
83.01357	7.7
85.02905	4.9
91.05488	49.8
93.07027	9.2
95.04967	57.1
97.02896	5.3
97.06518	3.9
103.05453	19.5
105.03397	13.2
105.07057	19.7
107.04953	49.2
109.02869	9.8
109.06510	6.7
111.67120	4.1
115.05465	20.8
117.07008	22.1
119.04928	14.4
119.08591	10.7
121.02861	4.9
121.06502	12.7
123.04429	16.8
124.41512	3.5
128.06216	28.0
129.07002	54.0
131.04897	18.3
131.08540	14.1
133.02855	10.8
133.06500	16.5
135.04396	19.2
137.05975	9.4
139.03839	10.7
141.07011	32.0
142.07724	6.5
143.08553	17.5
145.06499	22.8
147.04431	11.2
147.08063	16.9
149.02357	11.4
149.05981	7.1
151.03894	35.0
152.06198	20.9
153.05597	6.7
153.06970	55.6
154.07735	12.7
155.04883	6.3
155.06032	11.0
155.08575	26.2
157.06487	23.7
159.04405	12.7
159.08057	12.3
161.05934	11.9
163.03979	5.0
165.05482	63.8
165.07011	69.9
166.07796	34.1
167.07048	14.1
167.08572	25.2
168.05666	4.9
169.06485	20.7
169.10095	9.2
170.07286	4.3
171.04425	6.8
171.08052	13.9
173.06010	12.9
175.03879	10.8
175.07559	15.4
177.05519	9.0
177.07021	6.7
178.07768	33.6
179.08539	44.7
180.09323	11.7
181.04982	9.2
181.06505	38.1
181.10081	31.1
182.07193	12.3
183.04420	9.3
183.08057	38.6
184.05193	4.6
184.08829	3.7
185.05981	32.9
185.09608	9.5
187.03862	5.9
187.07492	10.4
189.05473	9.0
189.06975	15.4
190.07774	32.6
191.07018	6.4
191.08559	24.7
192.09245	6.2
193.06514	5.6
193.10152	12.1
194.07242	19.4
195.08006	19.0
195.11655	10.3
197.05963	19.0
197.09637	13.4
198.06810	5.2
199.07536	20.3
199.11275	6.3
201.05511	18.6
201.09134	4.2
202.07732	19.4
203.07025	41.9
203.08615	17.9
204.09303	8.8
205.06584	8.8
205.10158	40.7
207.08086	23.3
207.11816	4.3
208.08833	12.7
209.05992	32.4
209.09586	35.7
210.06714	12.1
211.04013	4.3
211.07526	60.8
213.05502	13.2
213.09119	10.4
215.08675	34.3
217.04921	6.3
217.10223	6.3
218.07307	27.7
219.08063	16.4
221.06029	6.5
221.09644	11.0
222.06702	5.3
223.07608	18.4
223.11223	16.8
223.13182	5.4
224.08257	5.1
225.05508	12.8
225.09076	18.9
227.07010	44.2
227.10634	18.1
229.04971	7.4
229.08495	18.4
231.08098	6.4
232.08725	7.5
233.09686	49.8
235.07635	18.8
236.08313	10.8
237.05576	24.6
237.09126	55.8
239.07179	14.0
239.10594	9.6
241.04933	5.5
241.08641	6.6
243.08186	8.4
245.09697	4.4
247.07501	11.6
249.09128	8.8
250.06160	4.9
251.06900	6.3
251.10681	36.8
253.05013	6.9
253.08563	35.4
255.06485	44.0
255.10129	35.8
257.08148	5.7
259.07455	5.4
260.08310	5.0
261.09152	55.0
263.07092	9.1
263.10654	7.4
264.07800	6.9
265.05371	7.2
265.08588	100.0
266.09009	7.9
267.06470	4.3
267.10159	5.0
269.08218	9.4
269.11639	11.6
271.05984	4.7
271.09720	6.3
277.08630	8.0
279.06998	7.4
279.10095	63.0
281.08286	19.7
283.06046	39.9
283.09644	89.9
284.06757	6.4
284.10092	4.0
285.07727	4.2
287.09177	8.3
289.08533	31.2
291.10074	5.6
297.07590	10.7
297.11221	34.8
305.08057	5.1
307.09662	62.2
309.11224	4.2
313.10687	8.8
315.08560	10.4
315.12259	36.7
317.08023	11.2
321.11182	4.9
325.10641	51.4
335.09103	45.5
339.12198	15.5
349.10568	16.2
353.10144	75.1
354.10452	4.2
357.13345	12.8
367.11761	57.1
385.12817	68.8
385.17575	4.6
386.13034	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	385.0319
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96548	3.4
69.92815	5.5
83.42583	0.8
98.97577	26.3
116.97836	1.6
116.98613	19.8
117.98974	1.5
119.01908	6.3
121.03804	1.0
123.04742	0.9
134.99641	14.9
137.02948	2.4
139.31891	0.8
140.00214	1.3
153.00691	1.5
161.27881	0.8
166.37473	0.9
177.00951	19.3
178.01009	1.9
179.00772	1.2
179.04994	1.0
183.41664	1.1
217.04079	3.1
219.02003	26.7
220.02177	3.9
221.01912	1.3
225.00899	2.7
234.99928	1.5
236.99753	3.0
240.98665	1.6
242.98618	2.9
243.01961	8.1
245.25925	1.0
258.99808	11.6
260.00003	4.6
260.99731	14.3
261.03030	100.0
262.00238	1.7
262.03204	7.0
263.03000	1.7
266.98770	1.2
277.00842	17.9
278.01080	5.7
279.00677	25.8
280.00894	3.7
283.00055	4.2
284.00134	2.8
284.04474	4.7
284.99756	14.1
285.99826	3.9
286.99432	1.1
301.00977	12.0
302.01297	5.7
303.00854	32.0
304.00986	8.1
321.01843	1.8
326.02557	1.2
337.00735	1.2
343.02090	4.2
361.01489	8.0
367.02063	2.6
379.02261	2.4
385.03360	14.5
386.03598	1.5
403.00125	4.9
403.05026	18.1
404.04773	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.9
55.01869	6.8
56.96574	2.8
61.02926	1.8
65.03954	1.8
67.05483	3.2
69.03429	5.0
70.06599	4.5
70.59676	1.5
71.51213	2.9
72.08161	2.0
79.05492	4.1
81.03423	3.5
83.05003	3.2
84.08158	2.2
85.02903	15.5
87.04461	1.9
89.03867	2.2
91.05486	5.0
94.04690	1.7
95.04965	6.2
97.02892	6.7
99.04479	2.0
103.05458	8.8
105.07030	58.9
107.04966	3.9
109.02843	3.3
111.04424	2.1
115.05458	18.3
117.03380	3.8
117.07025	4.8
118.04159	5.7
123.04443	7.9
127.03916	2.4
127.88120	1.6
131.04933	4.7
132.05745	1.8
133.06496	62.2
135.04454	3.8
136.06204	2.7
137.06003	3.2
140.04732	3.7
143.04904	2.1
143.06055	5.2
145.06497	7.3
147.04433	2.6
151.03967	3.6
155.07080	4.3
157.04976	2.1
160.05226	3.0
161.05981	100.0
162.06412	2.6
163.03935	11.7
163.07976	3.1
164.17805	1.7
167.07045	27.1
173.05994	5.8
175.03893	2.8
175.06062	2.9
175.07533	3.6
177.05527	2.5
181.05061	3.2
183.06500	3.8
186.03163	2.8
187.07516	1.9
189.05458	3.6
190.06316	2.1
191.07030	4.0
192.05185	2.2
193.08611	70.6
199.86096	1.7
201.05519	3.8
203.07019	2.0
205.08633	7.7
207.06619	8.2
219.06517	5.9
221.08055	3.3
221.13741	1.8
223.02403	7.3
223.09763	3.0
229.04964	4.0
231.06517	5.9
233.04445	6.9
233.08072	4.6
237.02716	3.9
239.03413	2.2
245.08112	2.4
249.07516	3.8
251.09169	26.3
252.07401	2.5
253.07552	8.4
261.07532	13.4
263.09265	2.5
275.09113	3.6
289.06793	2.3
293.10205	3.9
301.07413	1.7
307.07990	4.4
319.07892	2.4
385.14874	37.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.4
57.03429	0.1
57.07074	5.2
61.02913	0.2
69.03426	2.5
71.05000	0.3
71.31621	0.2
74.43899	0.2
78.03450	0.2
79.04245	0.5
81.03417	3.4
82.95589	0.1
85.02898	1.5
85.06548	4.0
96.04488	1.9
97.02889	2.4
99.04445	0.4
103.07575	0.4
108.04467	0.6
109.02881	1.6
124.03925	0.7
127.03904	1.9
138.05493	100.0
139.05846	1.0
145.04979	0.9
176.63060	0.2
229.10681	3.0
384.16830	0.2
384.22873	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.1
55.01868	4.8
55.05503	8.5
56.05022	1.6
57.03431	3.3
58.06588	4.6
60.04525	31.0
65.26460	1.4
67.05499	14.9
68.22553	1.5
69.03417	4.6
69.07071	12.9
70.00996	7.5
70.06581	6.7
71.04975	4.2
74.43356	1.7
79.05505	10.5
81.03408	6.0
81.07056	10.8
82.15917	1.4
83.01321	1.7
83.04985	3.5
83.08614	2.3
83.26278	1.3
84.04487	2.3
84.08136	13.9
86.09711	39.3
91.05486	7.6
93.07047	9.6
94.06562	3.9
95.04950	15.2
95.08599	6.1
96.08105	1.7
97.02879	9.7
97.06519	5.6
97.10194	5.0
98.06059	3.2
100.07584	1.8
103.05446	3.2
105.07014	5.3
107.04959	6.6
107.08588	5.8
108.08119	3.6
109.06499	5.0
109.10175	6.9
110.07294	2.3
110.09723	1.7
112.07607	35.0
113.05971	2.9
115.05461	2.2
117.07029	4.5
118.06570	3.8
119.04893	2.4
119.08551	6.7
120.08122	2.5
121.06496	5.2
121.10139	1.8
122.06020	3.8
122.09632	1.6
123.04424	2.8
125.09595	2.3
126.09135	9.4
128.10721	54.2
128.11662	2.8
129.06964	2.9
129.93610	1.5
131.04933	1.7
131.08546	3.7
133.10126	2.8
135.04483	1.7
135.08055	3.3
135.11655	1.8
136.07602	2.7
136.08786	2.8
136.11203	6.8
137.06004	2.8
137.09616	6.6
145.06468	3.3
145.10059	1.9
146.09654	13.0
147.08022	3.5
149.09576	1.7
154.12289	2.4
156.35292	1.3
157.10051	1.9
159.11571	1.8
159.32610	1.8
163.03902	6.5
164.10725	13.9
165.09093	11.5
173.06000	2.7
178.00880	1.8
182.11823	7.7
191.07014	2.5
196.10060	1.3
196.13341	8.0
206.11739	8.1
217.04959	1.7
224.12811	100.0
241.14384	2.4
242.05663	1.7
264.06772	1.7
273.18457	3.4
274.46887	1.6
290.21164	3.7
291.19479	6.5
307.09378	2.9
308.22186	2.8
316.09521	7.6
316.59674	2.1
319.08963	2.1
334.11707	2.7
336.60916	2.2
350.23264	10.4
366.14212	4.1
366.22549	1.7
384.11069	2.2
384.15387	6.1
384.23804	62.3
385.16415	2.2
407.86234	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	8.6
55.05511	16.8
57.07083	14.4
59.04997	8.5
63.54345	2.5
65.03934	4.4
67.05499	39.2
69.03428	15.7
69.07067	13.0
69.73660	10.5
69.74068	4.3
71.04987	8.6
77.74940	2.0
79.05486	33.8
81.03391	4.5
81.07050	42.6
83.04981	6.8
83.08624	3.8
85.06532	9.5
91.05467	63.2
93.07038	100.0
95.04961	25.4
95.08598	49.1
96.16771	2.3
97.06551	14.7
97.60167	2.4
99.04452	4.8
99.08076	3.7
103.05454	3.8
105.07026	83.9
107.04937	4.1
107.08579	46.7
109.06503	27.1
109.10152	31.0
111.08076	11.3
117.07001	14.7
119.04971	2.2
119.08579	71.6
120.09373	3.1
121.06514	16.4
121.10136	57.8
123.08062	37.7
123.11696	3.6
128.06229	7.1
129.06143	2.6
129.06995	13.2
130.07765	3.8
131.08562	33.7
133.06529	11.8
133.10120	34.5
135.08022	25.1
135.11681	9.6
137.05922	6.0
137.09587	16.8
141.06961	6.7
142.07765	22.9
143.08549	28.0
144.09346	4.8
145.06499	4.4
145.10110	45.9
146.07214	4.8
147.08028	35.0
147.11664	22.0
148.08873	3.4
149.09605	25.0
150.62315	2.2
151.07539	45.7
153.09065	2.8
155.08546	7.0
156.09364	9.8
157.10121	48.2
159.08038	8.7
159.11681	21.1
160.08774	4.2
161.09587	26.0
161.13246	12.2
163.11188	9.2
165.07002	3.0
165.09096	50.2
166.09396	2.5
169.10139	6.5
170.10895	6.3
171.11700	10.6
172.08791	3.1
173.09637	12.7
173.13292	7.8
174.10272	2.8
175.11214	17.7
175.14790	10.1
177.09090	7.8
181.10022	2.9
181.12222	2.5
183.11714	9.2
185.09665	4.1
185.13223	16.1
187.11124	8.0
187.14847	5.6
189.12680	13.7
191.14314	3.3
195.11664	2.9
197.13254	10.0
199.11148	5.3
199.14749	3.1
201.12712	8.0
203.14320	31.3
207.11971	3.3
207.13707	12.8
209.13275	6.9
209.15291	3.4
211.14719	3.2
213.12706	4.4
215.14301	5.6
219.11838	3.1
219.13844	4.4
221.13303	4.0
221.15332	77.2
222.15767	3.0
225.12825	4.3
229.15991	2.3
233.15350	5.8
234.16122	8.7
243.13806	4.5
253.15800	2.6
271.17004	3.3
274.19122	3.7
281.18958	3.9
286.19232	4.2
287.19931	7.7
299.19986	8.2
303.19537	10.0
310.52994	2.3
345.74362	2.5
347.23581	3.4
365.24686	9.8
365.28610	4.3
383.25616	59.8
384.26254	4.0
404.15161	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	383.2577
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
52.29242	2.6
53.03938	4.7
55.01850	3.1
55.05511	13.4
56.61760	2.3
57.07065	16.5
59.04988	9.0
67.05495	28.1
68.14909	2.3
69.03426	18.3
69.07049	6.9
70.77123	7.5
71.04977	7.6
71.06756	2.5
71.46181	2.3
79.05493	27.4
81.07056	38.1
83.04966	7.2
83.08574	2.5
85.06528	6.4
91.05483	44.7
93.07041	100.0
95.04959	29.7
95.08605	42.1
97.06520	11.7
105.07027	84.4
107.08591	46.1
109.06511	30.5
109.10145	21.4
111.08057	11.4
113.09608	3.3
115.05430	5.3
117.07016	15.7
119.08572	56.7
120.09362	2.3
121.06508	15.3
121.10131	55.9
123.08049	28.2
125.09703	3.1
128.06242	6.2
129.07007	13.2
130.07755	4.9
131.08569	32.6
133.06451	9.9
133.10132	31.1
135.08031	25.2
135.11708	6.5
135.26077	2.9
137.09605	14.0
141.06964	4.4
142.07770	24.0
143.08586	29.1
144.09288	3.9
145.10103	37.0
147.08046	30.2
147.11688	21.4
149.09613	24.7
151.07541	43.6
155.08549	7.6
156.09332	9.1
157.10123	46.7
158.10800	3.2
159.08031	10.2
159.11697	19.4
160.08719	2.7
161.09616	22.6
161.13245	10.5
163.11179	8.3
165.06921	3.5
165.09096	47.5
169.10092	8.3
170.10956	5.1
171.11667	10.2
173.09639	7.2
173.13231	10.6
175.11174	26.1
175.14868	4.8
177.09154	12.7
182.15593	3.4
183.11702	5.3
185.13229	24.9
187.11142	8.3
187.14751	3.8
189.12766	9.7
191.14290	4.6
195.11711	4.3
197.09612	3.0
197.13225	6.8
201.12735	9.0
203.14334	29.4
207.11815	5.0
207.13794	14.7
209.13264	4.7
209.15326	5.9
211.11078	3.8
213.12709	3.5
215.14325	9.5
216.14941	3.2
219.13818	6.2
221.13297	3.2
221.15346	88.5
222.15691	2.8
225.12665	3.4
225.16171	3.7
227.14317	8.1
233.15352	7.1
234.16165	14.4
237.14662	2.8
243.13693	4.5
271.16931	3.4
279.17242	2.7
281.18982	3.8
286.19257	8.8
287.19910	11.7
299.19955	8.3
300.20761	3.7
303.19638	8.3
307.20285	3.0
309.18372	3.0
365.24734	19.2
383.25769	84.4
384.14966	3.2
384.26233	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	383.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.3
53.81725	2.4
55.05515	16.8
57.07080	14.4
59.04995	7.7
65.03934	2.4
67.05512	37.1
69.00068	2.7
69.03436	15.1
69.07076	12.8
71.04982	10.5
71.08622	4.2
71.43999	2.7
79.05486	26.3
81.03411	4.9
81.07060	36.0
83.04980	8.0
83.08638	7.4
85.06516	5.4
91.05478	46.5
93.07042	100.0
95.04963	30.3
95.08611	47.9
96.36590	2.6
97.06530	12.4
103.05455	3.0
104.60516	2.2
105.07031	92.7
107.04974	3.0
107.08591	49.7
109.06521	29.4
109.10139	19.6
110.34766	2.7
111.05061	2.4
111.08100	12.1
115.05411	4.6
117.07025	10.3
119.08583	51.6
120.09439	2.8
121.06542	13.2
121.10148	49.8
122.07327	2.6
123.08064	35.2
123.11671	3.5
125.64285	2.5
128.06229	9.4
129.07088	13.6
130.07808	3.6
131.08565	30.7
133.06506	7.9
133.10124	40.1
135.08058	21.0
135.11720	7.6
137.05986	3.1
137.09653	14.2
141.06938	4.8
142.07802	27.1
143.08537	24.1
144.09267	3.9
145.10121	38.0
147.08054	30.2
147.11725	21.3
149.09605	21.2
151.07549	49.0
153.09138	2.6
155.08546	10.2
156.09337	10.3
157.10118	50.8
159.08057	7.8
159.11685	21.1
161.09621	26.2
161.13229	8.4
163.11179	10.6
165.07014	3.1
165.09129	51.8
169.10139	6.4
170.10919	8.9
171.11691	6.8
173.09625	10.2
173.11934	3.6
173.13304	10.5
175.11177	18.6
175.14845	8.5
177.09142	9.7
179.08508	4.4
181.10109	4.3
181.12260	3.3
182.10793	2.8
183.11685	9.2
185.13321	17.8
187.11211	5.5
187.14883	5.5
189.12775	13.4
191.14325	5.3
195.11778	5.5
195.46860	2.4
197.13304	7.0
199.11182	6.3
201.12814	8.5
203.14314	35.9
207.13853	11.2
209.13417	5.5
209.15390	6.6
211.14735	2.8
213.12772	4.5
215.14326	7.0
221.15375	92.5
222.15668	4.3
225.12772	5.6
227.14398	4.5
231.13802	3.0
233.15459	6.5
234.16187	9.5
243.13803	2.8
274.19171	3.6
286.19348	5.4
287.20139	6.9
299.20047	6.6
303.19470	9.2
309.18509	2.6
347.23602	3.2
365.25031	14.7
383.20435	7.6
383.25739	74.4
383.30621	5.7
384.25977	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	383.258
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
53.03944	8.4
55.05517	17.7
57.03426	2.7
57.07071	13.3
59.05001	5.6
61.86636	3.3
67.05506	38.4
69.03436	15.7
69.07061	14.5
69.41525	27.0
71.05003	7.3
79.05495	31.3
81.07061	39.5
83.04971	10.8
83.08655	6.1
85.06583	6.9
91.05480	51.9
93.07043	100.0
95.04958	29.8
95.08609	47.0
97.06530	17.2
103.05433	4.4
105.07035	92.0
107.08600	43.4
108.05798	3.7
109.06527	27.0
109.10152	28.0
111.08080	11.0
116.83626	3.2
117.07026	13.5
119.08582	64.8
119.09390	5.6
121.06518	14.0
121.10138	52.2
123.08066	37.4
125.09691	3.5
128.06236	4.7
129.07027	12.5
130.07848	4.6
131.08578	35.3
133.06505	12.4
133.10133	38.7
135.08063	27.3
135.11688	10.5
137.05957	3.2
137.09622	13.8
142.07813	25.3
143.08571	31.7
144.09293	4.6
145.10126	37.2
147.08055	24.7
147.11688	21.4
148.08830	4.6
149.09607	30.9
151.07521	45.3
153.09103	5.9
155.08551	12.0
156.09317	8.5
157.10124	44.0
158.10719	3.7
159.08063	9.4
159.11649	19.4
161.09573	23.0
161.13307	8.8
163.07486	3.1
163.11139	8.4
165.09109	43.3
169.10118	5.6
170.10916	9.3
171.11691	10.6
173.09641	11.8
173.13307	12.0
175.11182	24.0
175.14842	8.9
177.09131	11.5
178.09908	4.7
179.08542	4.9
181.10141	4.0
183.11707	10.4
185.09586	4.5
185.13272	23.6
187.11256	8.4
187.14784	3.4
189.12709	15.9
191.14365	5.6
193.10257	5.3
195.11696	4.9
197.09622	3.3
197.13382	7.3
199.11223	3.8
199.14772	5.2
201.12715	14.0
203.14290	34.6
207.11816	5.9
207.13843	15.5
209.13358	7.2
209.15335	7.1
213.12802	4.9
215.14345	8.6
216.15009	5.2
219.13809	6.6
221.15352	78.5
225.16249	4.2
227.14334	9.9
229.41388	2.9
233.15414	5.2
234.16089	10.3
281.18875	4.3
286.19363	8.0
287.20047	13.3
299.20084	8.9
303.19577	11.3
309.18475	5.6
346.32654	3.1
347.23663	3.2
365.24823	15.4
383.25839	87.1
383.30615	5.2
384.26346	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	383.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.2
55.01859	3.4
55.05511	16.8
57.07068	8.0
59.04983	9.0
67.05505	34.4
68.20898	3.1
69.03442	18.1
69.07059	10.4
70.43259	2.4
70.50178	9.7
71.04990	6.7
79.05492	33.0
80.35552	2.3
81.03376	4.5
81.07051	36.1
83.04967	9.1
83.08620	3.8
85.06549	7.1
91.05482	43.5
93.07043	89.5
95.04963	31.0
95.08605	39.5
97.06521	12.7
103.05414	3.2
105.07029	77.3
107.04942	3.1
107.08588	42.6
109.06511	27.2
109.10172	20.6
111.08059	7.4
115.05401	2.7
117.07001	11.3
119.08586	51.2
120.96352	2.8
121.06532	15.6
121.09339	3.8
121.10148	49.1
123.08077	31.9
128.06232	7.8
129.07008	13.8
130.07782	4.6
131.08569	31.4
133.06482	9.6
133.10127	27.9
135.08041	21.1
135.11693	5.9
137.05971	3.8
137.09622	8.1
141.06972	4.7
142.07774	18.6
143.08556	21.5
144.09286	4.4
145.06471	4.6
145.10124	36.7
147.08044	28.2
147.11676	14.6
149.09624	21.5
151.07535	38.8
155.08582	7.0
156.09312	9.5
157.10126	38.6
159.08049	8.0
159.11725	15.3
160.08781	3.9
161.09657	18.6
161.13292	8.2
163.11186	7.4
165.09100	44.5
169.10103	6.0
170.10861	6.1
171.11711	4.6
173.09622	9.9
173.13252	8.9
174.10373	2.8
175.11232	23.1
175.14789	10.3
177.09084	13.5
181.08669	2.5
181.10159	4.3
183.11673	8.0
185.09697	2.5
185.13240	20.7
187.11086	5.8
189.12733	12.1
191.14336	3.6
194.10837	3.6
195.11760	3.2
197.13309	4.9
199.11130	7.0
199.14551	2.9
201.12711	9.9
203.14311	33.1
205.12271	3.4
207.11801	4.9
207.13797	13.0
209.13286	4.3
209.15353	4.6
211.14806	2.7
213.12749	8.1
213.39389	2.7
215.14278	8.3
216.15047	5.2
219.13725	5.9
221.15359	100.0
223.14832	3.2
225.12712	4.2
227.14293	3.0
231.13734	3.1
233.15359	5.5
234.16037	18.5
239.18073	3.3
243.13785	3.8
249.84476	2.9
269.18787	3.4
278.34262	3.0
281.18939	4.4
286.19354	6.4
287.20041	8.7
299.19995	10.0
303.19589	8.9
347.23257	4.0
365.24799	10.5
383.11398	5.4
383.25800	69.7
383.30563	4.9
384.25998	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	383.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.7
55.05499	16.6
57.07065	14.8
59.04995	8.1
61.93970	3.9
62.96346	4.3
67.05507	36.8
69.03422	14.1
69.07062	13.5
71.04966	6.6
71.50944	5.6
79.05493	39.0
81.07059	39.5
82.07471	4.6
83.04967	8.4
83.08613	5.0
85.06555	6.1
91.05479	46.7
93.07046	100.0
94.26228	3.7
95.04958	19.7
95.08143	4.2
95.08622	39.9
96.15857	3.7
97.06519	13.4
105.07028	88.2
107.08588	48.6
109.06521	26.3
109.10141	28.2
111.08087	9.3
111.51881	4.1
117.07012	10.6
119.08586	59.5
121.06492	16.8
121.10154	49.3
123.08101	31.1
128.06229	13.1
129.07001	11.8
130.07819	4.2
131.08568	30.7
133.06488	10.9
133.10133	39.2
135.08069	25.9
135.11674	9.2
137.05991	7.5
137.09631	7.6
141.06909	5.5
142.07767	18.6
143.08566	22.4
145.10109	39.3
147.08046	24.7
147.11679	17.0
149.09570	21.9
151.07538	43.4
153.09044	5.0
155.08470	5.1
156.09297	13.3
157.10127	42.7
159.08063	7.3
159.11708	15.4
161.09599	22.1
161.13239	7.4
163.11102	10.1
164.07162	4.8
165.09120	39.7
169.10077	8.0
170.10840	7.2
171.11700	8.4
173.09653	15.2
173.13217	9.9
175.11186	24.9
175.14818	12.2
177.09128	11.8
183.11839	8.7
185.13307	23.6
187.11223	6.6
187.14955	5.1
189.12749	14.2
191.14406	3.9
195.11682	5.4
197.13286	7.0
199.11092	5.1
199.14844	4.2
201.12677	7.7
203.14304	33.7
207.13721	10.0
209.15341	8.1
213.12733	6.6
215.14276	9.6
219.13823	9.0
221.13382	7.8
221.15370	82.0
225.12909	4.2
227.14334	4.3
231.13820	9.3
233.13179	4.8
234.16202	7.7
238.56619	4.0
271.17038	4.7
286.19308	8.6
287.20023	15.1
299.20139	6.4
309.18506	5.5
334.87543	3.9
365.24817	16.2
383.25787	83.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	2.4
67.05479	1.7
69.03412	2.4
69.40887	4.3
69.41299	1.5
78.11515	0.6
79.05480	1.4
81.07055	1.8
83.04977	1.4
83.40998	0.6
85.02893	2.5
91.05492	4.0
93.07044	1.7
95.04947	0.9
97.02847	1.4
102.06203	0.6
105.07029	1.7
107.08610	1.3
109.06544	1.1
115.05446	2.9
115.34682	0.7
117.05750	1.4
117.07001	3.9
118.06543	47.7
119.06921	0.8
119.08563	2.7
121.10128	1.7
133.06520	0.7
133.10146	2.9
135.11621	0.7
137.05957	1.0
137.09508	0.7
142.06535	4.2
143.07310	4.4
144.04419	1.0
144.08083	19.9
146.06010	100.0
147.06358	2.2
147.08084	1.4
147.11696	1.2
153.01926	0.7
160.07536	1.4
161.13284	3.7
163.11159	0.8
164.07050	2.7
170.06026	6.9
171.57256	0.7
175.14822	1.2
178.08632	19.8
185.13239	0.7
186.80431	0.7
188.07069	67.5
188.52510	0.6
189.07298	1.1
196.09692	92.4
197.10049	2.9
203.14310	2.6
215.08510	0.7
219.08203	0.9
221.15407	2.1
231.08044	1.0
236.08890	0.7
247.07570	1.2
248.08350	1.0
252.11896	0.6
254.10213	2.0
258.71371	0.6
263.10892	1.0
265.08569	1.2
275.07126	1.0
291.10095	1.2
293.08136	1.3
307.09714	1.1
308.10281	0.9
322.19522	0.7
323.12888	1.5
337.10886	1.5
351.12238	2.1
352.13290	0.9
353.10193	0.9
368.12283	1.3
383.15747	23.8
384.16043	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59602	1.2
55.01872	1.5
57.03440	4.6
61.02924	4.3
69.03426	13.7
71.24115	2.4
73.02925	2.7
74.02444	3.4
79.85853	1.2
81.03426	7.2
82.02940	1.7
84.04504	1.2
85.02906	39.7
87.04442	1.6
91.05511	1.7
94.06572	4.3
95.05073	1.1
97.02887	11.1
99.04470	2.9
103.03930	2.6
105.03437	1.4
106.06544	1.8
109.02890	4.8
110.07167	1.7
117.05717	1.6
118.06568	9.0
127.03904	5.8
129.06981	1.4
130.06522	80.1
131.06898	2.2
132.04451	21.1
132.08087	5.8
134.06035	1.8
137.06084	1.2
142.06546	3.5
143.07236	3.3
144.06886	3.8
144.08063	30.6
145.05104	2.6
145.07599	28.2
146.06021	15.5
148.07526	6.0
154.06572	6.7
156.06784	2.2
156.08054	3.9
157.07611	77.4
158.06018	57.7
158.08058	2.4
159.09158	9.9
160.07567	3.9
167.07359	2.9
169.07541	7.2
170.06023	2.5
171.04488	1.4
171.06813	2.6
171.09169	12.4
172.07581	15.3
173.07141	1.6
174.05502	7.4
175.08665	60.8
176.07117	3.3
176.08984	1.4
180.08047	1.6
181.07620	5.5
182.08437	4.7
183.09183	19.9
184.07587	2.6
185.07071	14.7
186.05542	4.5
186.07843	2.4
187.08681	2.5
190.08698	1.7
196.07687	1.9
197.07137	1.9
198.05620	1.9
199.08669	15.9
200.07068	21.6
203.08154	100.0
204.06543	5.2
204.08333	2.7
207.09216	2.3
209.07085	11.8
210.09225	1.3
214.08727	2.2
215.08243	3.7
216.06573	1.4
216.08937	4.3
217.09726	31.2
221.09192	42.6
222.09529	1.7
224.07027	1.8
227.08217	10.6
228.06586	3.4
231.07562	8.3
238.08685	1.5
241.09715	1.4
243.07813	1.8
245.09233	24.5
257.09326	2.6
263.10291	37.7
265.09595	1.4
266.08035	1.7
269.09155	2.2
274.10623	1.5
275.10336	1.5
283.90616	1.3
287.10477	1.6
299.10196	4.9
311.10254	1.7
329.11160	3.2
347.12451	11.8
348.10788	10.4
365.13419	28.8
365.18094	1.7
383.14456	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1121
Annotation	Rikuzenol
Peak:m/z	Relative Intensity
51.67812	0.3
51.68060	0.3
53.03942	0.4
55.01865	0.6
55.05497	1.1
57.03419	0.4
62.07558	0.4
67.01854	0.6
67.05503	5.3
68.99798	0.7
69.03419	0.5
69.07045	1.1
70.24075	0.8
70.24481	1.2
71.04966	0.5
75.83002	0.4
79.05502	1.8
81.03413	0.6
81.07050	1.9
83.04969	0.4
83.08639	0.6
89.91460	0.4
91.05462	1.2
93.07033	0.9
95.04963	0.4
95.08597	0.6
97.06524	2.8
103.05418	0.5
105.07008	0.6
107.04977	0.5
107.08585	0.9
109.10142	3.6
111.00806	0.4
115.05458	0.4
119.08540	0.8
121.02907	0.4
132.71928	0.4
135.04399	1.3
141.06940	0.6
153.01819	11.3
155.03465	0.4
155.08632	0.5
161.02281	0.8
161.05962	0.8
163.03885	0.5
165.06999	0.4
171.02898	0.7
173.05923	0.5
173.11716	1.0
187.07474	0.7
189.08832	0.3
199.07564	0.6
201.09123	0.8
203.03406	2.9
211.07535	0.5
213.05424	0.5
229.04961	2.3
229.08440	0.5
237.05464	1.2
241.04941	1.3
242.05766	1.2
243.06696	0.5
253.04875	0.7
255.06541	1.1
257.04425	24.3
258.05200	10.2
259.05801	0.7
264.07904	0.5
265.04935	1.4
265.08234	0.5
269.04416	1.3
282.05280	1.5
283.05841	0.9
286.04697	12.5
287.05478	41.9
288.05795	1.0
291.10010	0.6
293.04358	0.6
293.08081	0.7
295.05899	0.9
297.03925	1.0
297.07547	0.7
298.04712	1.5
299.05502	0.7
305.08075	0.5
307.09732	0.5
308.06830	0.9
310.04651	8.6
311.05478	29.2
312.05804	0.8
313.06995	2.1
323.05463	3.2
323.08978	0.6
324.06268	1.6
325.06870	0.5
326.07745	0.9
339.08606	57.6
340.08902	1.3
351.12326	0.8
355.11566	0.8
368.12701	0.5
383.11203	100.0
383.24231	1.6
384.11462	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	382.207
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	10.2
55.05507	10.4
60.04493	4.7
67.05486	4.3
69.03411	9.9
69.07056	11.3
69.75662	23.8
70.06577	12.3
71.04974	8.0
72.08160	5.7
79.05486	12.6
81.07043	10.0
83.05002	4.9
84.08142	7.8
85.02912	26.0
85.06555	6.2
86.09710	11.7
87.04455	13.2
91.05444	6.2
93.07035	14.3
95.04953	8.6
95.08588	7.9
96.77821	4.9
97.02882	9.0
97.06512	19.4
99.04418	5.1
104.33464	4.2
105.07064	6.7
107.04910	13.7
107.08578	23.9
110.07169	4.5
111.04459	8.2
112.89900	4.9
113.06008	44.1
121.10137	36.1
125.05978	16.2
125.09620	37.9
127.03935	10.6
130.93233	4.3
131.04868	4.3
131.08548	9.4
132.08130	5.7
135.04457	6.3
136.07582	10.5
139.11185	14.3
146.05974	4.9
149.09625	20.1
151.03882	7.0
156.07568	5.2
163.03883	7.1
167.10675	53.7
177.05457	5.1
178.08649	9.8
185.08116	5.4
185.11716	100.0
196.09708	14.8
203.12776	95.4
235.30452	4.1
382.15421	8.1
382.27805	5.9
383.14395	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	382.1704
Annotation	trans-zeatin-9-N-glucoside
Peak:m/z	Relative Intensity
55.01881	1.4
56.96549	1.6
57.07076	3.8
59.04972	1.6
61.02930	1.6
67.05500	2.7
69.03421	5.2
69.07055	4.2
70.02966	2.2
70.06609	1.7
71.50127	1.9
72.04510	7.8
73.02899	4.7
79.05463	1.8
85.02895	13.5
85.06538	4.9
86.09722	2.3
87.04485	1.8
88.07619	13.6
90.05555	62.5
93.07031	2.1
95.04958	6.3
95.08647	1.7
97.02890	3.4
98.02409	5.1
103.07565	4.0
107.04974	2.5
109.02831	2.1
110.07129	1.4
113.06052	2.1
116.03452	7.9
116.98712	1.6
124.07587	9.0
127.03868	3.2
130.06512	2.7
136.07527	2.1
138.01030	1.4
142.08641	3.8
158.06039	2.9
171.11989	1.3
181.04910	1.7
184.09717	11.8
185.08354	2.0
196.09668	2.3
202.10715	20.3
220.11792	100.0
221.12213	1.9
236.09296	1.6
265.59647	1.6
337.13843	2.3
383.09424	3.7
383.14255	11.5
384.31918	1.4
407.16217	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	380.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	2.2
56.58089	1.8
63.15894	1.8
67.05507	13.6
69.03429	3.9
70.06577	2.8
70.73060	4.5
76.71956	2.0
79.05489	7.6
81.07047	9.5
84.04471	4.2
84.08144	2.8
85.02893	8.6
91.05473	7.9
93.07054	10.5
95.04966	13.7
95.06072	3.0
95.08609	44.0
97.02888	3.9
107.08561	7.1
109.02882	2.4
109.06485	2.7
109.10159	11.5
119.08570	23.4
120.08894	2.2
137.05995	2.4
137.09599	17.7
138.09090	6.4
147.08020	2.5
165.09117	100.0
183.10130	11.1
188.66969	2.4
201.11221	60.6
342.54297	2.0
380.21994	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	381.0792
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57629	2.4
59.22001	2.6
69.44037	19.1
69.44434	6.4
75.11504	2.9
98.21542	2.9
110.85308	2.7
111.10817	3.1
146.22768	2.7
201.01555	3.5
206.20308	3.2
206.70711	2.6
236.58980	2.5
238.38087	2.7
381.07913	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32982	1.1
56.96561	10.3
61.02907	1.2
61.43257	0.8
63.11990	1.1
69.03411	1.8
71.49715	1.3
74.90059	1.1
81.03414	1.5
82.05068	0.9
85.02899	4.9
97.02885	3.2
98.96941	2.2
98.97580	38.4
101.00892	3.2
109.02866	1.1
110.97571	4.3
112.99155	4.0
113.00846	1.8
115.02434	3.3
116.98619	13.1
119.01899	6.2
119.71321	1.1
121.01686	1.8
127.03932	1.1
128.98599	5.9
129.02228	4.3
131.00159	5.2
131.01865	5.2
133.01773	1.8
133.03468	16.0
134.02654	1.1
134.99646	3.4
137.05942	2.2
141.02209	1.5
143.01897	3.9
145.01653	2.5
145.03409	4.9
146.99609	2.3
147.03310	6.7
147.04988	3.2
149.01283	1.8
151.04515	2.4
152.98605	1.1
155.01936	6.2
157.01642	1.4
157.03479	4.1
158.02328	1.1
158.99646	4.0
159.03275	4.4
159.05070	6.3
161.02937	6.3
163.02710	4.2
163.04672	1.2
165.04175	1.5
169.03447	1.2
170.99626	0.9
171.03481	1.5
171.05009	5.4
173.01501	1.9
173.02963	7.1
175.02805	1.5
175.04510	3.1
177.00757	4.6
177.04320	13.6
177.06044	3.9
179.02051	1.5
181.03473	1.3
183.03275	4.1
183.05040	5.3
185.02963	2.3
187.04504	1.5
189.04352	6.9
189.05966	1.7
193.03464	1.4
195.05334	7.1
195.07204	3.5
197.02954	4.9
199.04494	1.7
201.00694	1.9
201.04407	15.3
201.06117	2.5
203.04021	1.6
205.03835	3.7
207.05144	1.3
211.04533	2.2
213.04272	1.3
213.06047	1.2
219.01833	7.4
219.05272	5.5
219.07164	17.2
219.19992	1.2
221.05037	9.6
223.04787	4.2
225.06091	1.8
231.05173	1.7
231.07178	18.1
233.08710	2.6
237.02768	12.8
237.05072	1.1
237.06195	2.2
243.05278	2.2
244.04312	5.6
245.05074	12.2
247.04735	2.8
248.01329	1.0
249.06215	1.3
255.07132	6.1
259.06793	1.2
261.06430	4.4
263.06134	1.0
265.05957	2.4
273.08194	4.5
307.06592	1.1
321.10617	100.0
322.10425	4.3
339.09396	29.9
348.06949	3.2
366.07941	1.7
381.10742	11.3
385.01495	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06525	3.3
56.71872	2.9
57.03407	3.5
65.70130	3.3
67.05491	21.3
69.03446	6.0
70.80097	7.2
71.04992	3.5
72.86669	2.6
72.87134	2.8
79.05492	4.1
81.07040	10.0
85.02888	9.6
91.05456	3.0
93.07044	4.6
95.04948	9.3
95.08601	11.1
96.64269	3.2
97.02876	4.3
99.04424	4.0
105.07018	3.4
107.04966	4.4
107.08611	3.2
109.10158	66.1
109.52382	2.6
119.08560	3.6
120.08099	4.5
122.33875	2.8
125.05958	7.1
127.03909	4.3
136.06216	4.1
137.05975	9.1
137.09610	100.0
152.05649	7.7
155.10655	37.4
163.07492	3.0
165.09103	47.8
175.07619	5.7
183.10139	19.8
201.11211	90.9
268.49094	3.1
330.13248	7.4
380.15305	3.9
381.12881	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	378.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.0
57.03417	0.8
61.02922	2.3
66.26161	0.6
67.05487	0.9
69.03429	5.3
70.06582	1.0
71.04997	0.7
71.42717	0.9
73.02892	0.9
74.06091	0.7
81.03407	2.1
84.04512	0.8
85.02906	15.7
91.03925	0.8
91.05480	1.0
97.02905	4.2
98.97564	1.0
107.04941	1.8
109.02885	0.9
119.04978	0.9
122.03645	2.2
122.50567	0.7
127.03945	2.6
131.04924	0.8
135.04472	1.1
137.05977	100.0
138.06326	2.0
145.04956	3.7
163.03935	1.6
163.07518	2.3
180.08757	0.9
181.08594	15.1
186.05544	1.2
189.00713	0.9
204.06621	0.9
205.10603	1.1
219.01598	0.8
221.02805	0.7
222.03122	1.8
223.02638	0.8
252.97951	1.8
347.82706	0.7
378.11478	10.4
379.15674	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.305
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	3.7
57.06800	1.8
57.07073	33.0
59.04977	1.1
67.05494	3.6
69.07065	11.0
71.08249	1.7
71.08630	28.9
71.51420	1.4
73.06564	4.7
79.05489	4.2
81.07063	4.6
83.08617	4.1
85.06525	1.1
85.10181	26.3
87.04477	2.5
89.06027	100.0
90.06329	1.2
91.05470	3.9
91.33449	0.8
93.07027	8.1
95.08604	4.6
97.06523	1.3
97.10206	1.2
99.11739	3.1
101.09660	5.6
105.07019	1.9
107.07061	5.2
107.08585	10.0
109.06496	2.4
109.10145	2.4
111.08058	1.7
117.09119	2.9
119.08604	2.0
121.10146	4.6
123.08005	1.7
125.09610	1.1
130.08624	3.1
133.08598	38.9
135.08046	11.5
137.06012	1.3
139.07549	3.2
141.16359	3.3
147.11607	1.5
149.09579	1.0
149.13229	3.8
151.09660	3.2
154.29594	1.0
165.09073	5.6
177.11201	5.7
177.12761	2.4
179.14259	1.5
181.15883	3.5
185.18947	1.4
188.79733	0.9
191.14288	3.2
195.12248	3.4
198.28198	0.9
209.15337	7.4
239.14870	6.6
263.20026	1.2
291.19363	2.1
303.63110	0.9
347.25809	35.5
348.26221	1.8
379.28201	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	377.0841
Annotation	Unknow
Peak:m/z	Relative Intensity
61.42993	0.8
66.67477	0.9
69.03410	1.5
70.74755	2.1
70.75137	2.0
80.59776	1.0
85.02895	4.9
89.03907	1.9
89.29572	1.0
99.86405	0.9
101.00880	2.3
107.43489	1.1
113.02325	1.4
117.03343	1.3
119.01935	5.8
127.03962	1.6
131.01903	3.8
135.04427	3.1
143.00157	1.2
143.01878	1.4
145.03491	3.8
155.01871	2.6
157.03494	3.1
161.01389	1.4
161.02937	2.5
163.03891	14.3
169.03445	1.4
171.01407	2.4
173.02972	3.1
185.02185	1.6
187.04483	1.8
189.02467	1.8
195.01414	2.4
197.04355	2.3
203.04001	1.8
211.04590	1.2
213.02376	8.6
215.05278	7.3
221.03017	11.0
221.04980	1.7
223.04523	1.1
225.02519	1.9
231.03496	5.0
239.04030	2.5
245.05148	2.2
257.04950	1.7
257.23279	1.0
271.04221	1.2
271.06784	2.0
273.04688	1.4
275.02496	9.1
289.05148	1.7
305.03564	1.7
317.03723	1.8
317.07187	1.9
331.07184	1.5
359.07596	4.0
377.08453	100.0
395.07608	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	377.1441
Annotation	9-Hydroxysemperoside
Peak:m/z	Relative Intensity
51.00293	12.2
54.01708	10.4
55.01854	14.1
69.03426	20.9
70.06583	17.0
70.07694	55.9
79.05495	44.4
84.08146	15.8
85.02892	100.0
86.09700	24.4
88.19818	12.6
91.05489	25.6
93.07034	33.6
95.04958	31.5
97.02898	15.7
105.07022	22.8
107.04961	16.2
107.08601	11.7
109.02838	15.5
109.06541	23.3
111.08071	39.1
118.06544	23.0
119.08555	11.9
121.06503	13.2
127.03921	48.8
134.45749	12.1
137.05974	56.7
139.03922	15.9
144.75140	11.4
146.06065	14.2
147.04465	15.1
151.03891	18.2
151.07556	40.0
153.05473	38.6
153.56166	12.0
179.07048	73.8
197.08089	45.5
197.11816	13.5
332.58197	11.7
333.10934	12.4
377.13611	35.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05036	5.6
60.30899	0.7
67.05502	1.2
68.05034	4.8
68.77256	0.8
69.57270	0.8
69.69121	5.3
70.06595	22.2
72.08147	2.0
84.08154	1.3
85.02912	1.7
86.06068	27.5
88.04019	1.0
91.05478	3.2
93.07039	1.0
94.06553	1.9
95.04958	2.1
95.06925	0.9
98.09690	1.0
105.07024	1.0
114.05531	74.0
114.09152	2.1
115.05889	1.2
116.06259	0.8
119.08574	0.8
131.04976	1.2
131.08527	1.8
133.02888	1.1
137.05984	1.9
140.07025	1.2
142.08635	27.9
142.09763	1.3
143.04918	3.2
144.08087	2.2
145.06509	2.8
145.08868	1.7
147.04417	0.9
151.03918	1.0
158.04459	0.9
158.08266	1.1
158.09663	2.8
160.07597	1.4
163.07541	1.4
164.07101	1.1
172.07631	1.3
178.08662	1.0
186.07622	24.2
188.07080	1.1
190.08696	1.4
196.09703	1.6
197.08125	1.1
202.08662	1.9
204.10202	100.0
205.10518	3.0
215.09135	0.9
218.09734	1.7
218.11772	27.0
218.13898	1.5
219.12109	1.4
230.11777	4.8
232.13330	31.5
233.13560	1.1
244.09796	0.9
248.09175	1.4
249.15976	3.0
250.10149	1.0
276.12302	25.9
277.12659	1.5
305.18646	3.5
331.16638	3.7
333.18030	8.2
377.17072	65.6
378.17407	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	375.2893
Annotation	15-HTPE
Peak:m/z	Relative Intensity
55.05504	9.3
57.07084	2.1
67.05505	14.5
69.03427	3.5
69.07069	9.0
70.03683	1.4
70.72157	3.9
71.04977	1.5
77.03960	1.3
79.05489	10.7
81.07053	33.9
83.04942	1.5
83.08623	3.9
85.06532	3.4
91.05481	16.4
93.07039	30.3
95.04976	3.6
95.08606	74.4
97.06524	2.0
97.10151	4.7
105.07029	32.0
107.04958	4.1
107.08588	81.2
109.06523	12.4
109.10154	27.3
111.08058	4.6
117.07000	2.7
119.08582	44.1
121.06512	7.9
121.10132	25.7
123.08096	7.9
123.11728	7.6
129.07042	2.3
131.08597	6.5
133.06467	3.7
133.10123	34.3
135.08047	7.5
135.11681	14.9
137.05916	1.5
137.09641	7.0
143.08586	5.2
145.10130	9.3
147.08005	4.0
147.11697	15.3
149.09628	5.5
149.13231	3.5
151.11150	5.2
156.38034	1.4
157.10136	5.7
159.08124	3.9
159.11681	6.9
161.09618	9.3
161.13251	15.0
163.11220	2.3
163.14871	2.1
163.41257	1.4
165.09119	6.0
167.10674	12.1
169.10132	1.6
171.11668	2.3
173.09622	3.4
173.13286	4.9
175.11174	3.5
175.14844	6.8
177.12784	2.9
177.16397	1.7
183.11639	1.8
185.13287	2.3
187.11237	1.5
187.14835	2.6
189.12732	2.5
189.16371	32.0
191.17923	4.1
197.13272	1.4
199.14822	9.7
201.16350	5.5
203.14272	3.3
205.16028	1.6
210.56438	1.2
215.14517	1.9
215.17961	3.0
217.15871	79.1
218.16273	2.8
219.17474	18.4
225.16219	1.8
229.15913	8.7
231.17470	4.9
235.16914	34.2
243.17488	3.7
249.18536	9.7
268.09674	1.4
275.20114	4.1
313.25296	2.7
321.25793	5.0
339.26843	17.8
357.27863	100.0
358.28214	6.0
375.28940	80.0
376.29419	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	375.289
Annotation	15-HTPE
Peak:m/z	Relative Intensity
55.01832	3.3
55.05511	12.5
59.90318	2.7
67.05502	19.8
67.81869	2.9
69.03452	2.6
69.07069	12.5
79.05487	13.4
81.07053	34.2
83.08599	5.4
88.50259	2.7
91.05485	26.4
91.20226	2.7
93.07058	33.1
95.04977	3.1
95.08607	63.8
97.06508	5.8
97.10162	5.6
105.07033	39.2
107.04940	5.4
107.08591	51.8
109.06511	9.8
109.10137	24.6
111.08062	4.9
117.07015	6.9
119.04952	3.0
119.08578	58.3
121.06512	4.5
121.10149	22.9
123.08053	3.9
123.11690	6.3
125.09592	2.8
128.06136	3.3
129.06976	3.0
131.08548	9.3
133.06427	2.7
133.10132	38.7
135.08031	6.1
135.11699	11.8
137.05963	3.4
137.09601	7.2
143.08525	6.3
145.10136	8.9
147.08095	3.6
147.11647	17.5
149.09612	4.9
149.13193	3.4
151.03888	4.2
151.11189	7.5
157.10107	5.4
159.11705	5.8
161.09554	4.8
161.13254	9.2
165.09143	2.6
167.10670	8.9
173.13194	2.5
175.14841	3.6
186.08876	2.7
187.14746	3.2
189.16377	50.1
191.18057	4.4
198.16983	3.1
199.14781	6.1
201.16402	4.8
203.14372	2.9
206.55501	3.2
217.15869	100.0
217.17987	5.4
219.17435	16.8
229.15823	4.9
235.16916	81.6
249.18472	4.4
313.25183	4.1
321.25735	3.9
339.26718	17.5
357.27881	59.9
375.29016	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	375.268
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67443	5.2
53.03941	9.0
55.05504	13.3
57.07063	8.6
57.65360	5.1
66.46235	6.1
67.05493	25.4
69.07059	13.4
71.50944	6.1
71.51442	9.1
79.05493	44.7
81.07047	55.4
83.08607	7.5
83.85580	5.3
91.05487	52.0
92.60344	5.2
93.07034	79.1
95.04950	36.7
95.08614	41.7
103.06796	5.1
105.07026	100.0
107.08585	41.1
109.06541	13.5
109.10137	25.6
117.07011	15.9
119.08572	89.5
121.06506	16.2
121.10149	73.5
123.08047	8.8
128.06207	8.6
129.07034	11.2
130.07845	6.3
131.08575	43.2
133.10104	35.5
135.11670	15.3
142.07776	20.3
143.08534	21.7
144.09377	7.4
145.10123	54.0
147.11707	22.6
155.08580	7.8
156.09325	7.1
157.10086	44.1
158.10873	6.0
159.11697	27.8
161.09641	13.7
161.13252	8.7
167.08553	6.8
169.10139	16.0
171.11688	12.4
173.13261	16.3
175.11166	7.3
175.14856	8.2
181.10129	7.8
183.11725	12.5
185.13258	5.3
187.14748	13.3
193.10078	7.3
195.11607	7.0
196.28444	5.6
196.76666	5.5
197.13306	9.3
199.14893	8.9
201.16342	6.9
207.11699	6.6
209.13313	9.5
216.94923	6.0
375.26660	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	375.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.9
55.01868	1.0
70.82451	2.3
70.82794	1.2
79.05479	3.0
83.49936	1.1
91.05476	2.9
93.07047	1.1
95.04948	1.6
95.08601	1.0
103.05466	3.4
105.07029	10.8
107.04946	3.6
109.06532	1.0
111.04424	2.7
115.05463	3.0
115.77874	1.1
116.77180	0.9
117.07026	3.2
119.04928	1.0
121.06469	2.3
123.04431	2.3
123.08060	1.9
131.04932	3.0
133.06503	9.6
135.08081	1.4
137.05962	3.4
139.03891	1.2
143.08575	1.3
145.06450	1.3
149.05989	1.5
151.03897	6.0
151.07536	9.8
159.04326	1.2
161.05977	9.3
162.06747	2.0
162.76189	1.0
163.07539	2.3
167.07033	23.5
167.08441	1.5
169.06432	1.2
171.08023	1.5
175.07587	2.6
177.09108	100.0
178.09447	3.3
181.04938	1.0
189.09137	1.0
193.08601	37.4
195.10178	5.7
203.07008	1.0
203.10834	1.1
204.32109	0.8
221.11745	5.7
253.08646	1.0
269.07999	1.3
303.09393	1.0
313.10699	3.3
375.14499	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	375.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	2.0
55.01865	3.1
55.05509	1.9
60.38024	1.3
63.05470	1.4
63.05816	1.2
65.48305	1.2
66.89383	1.4
67.05497	5.0
69.03425	2.1
69.07059	1.9
71.51295	1.6
71.75705	1.3
78.04699	2.4
79.05486	9.0
81.07047	4.5
91.05471	9.8
93.07045	3.9
95.04959	5.0
95.08600	4.9
97.06540	2.7
103.05463	12.0
105.07032	14.9
107.04963	8.1
107.08587	4.4
109.06512	2.9
109.10152	3.1
110.69642	1.5
111.04444	3.8
115.05482	6.9
117.07011	6.3
119.04945	5.5
119.08573	3.6
121.06493	6.3
122.03639	3.7
122.15199	1.7
123.04398	3.5
123.08071	3.3
124.05206	2.1
125.05968	3.2
131.04926	18.6
131.08560	1.6
133.02806	1.7
133.06483	12.9
133.10159	2.1
135.04463	2.5
135.08020	4.4
137.05988	31.9
137.09587	1.4
143.08569	2.2
145.06454	3.1
145.10143	1.5
147.04381	2.5
147.08051	2.4
149.05994	4.5
149.09650	1.8
151.03932	9.8
151.07542	18.1
153.05475	1.7
160.05194	3.8
161.05978	14.5
162.06702	4.7
163.03922	1.8
163.07562	12.5
165.05556	3.4
165.06918	1.8
167.05650	2.9
167.07050	44.0
168.07487	2.0
168.82919	1.4
169.04956	4.8
171.08112	2.0
175.07570	15.5
177.09114	100.0
178.06310	2.7
178.09462	3.6
179.07056	3.7
181.08586	2.3
189.09061	1.7
189.16432	1.4
191.06984	3.0
192.07407	1.5
193.08614	47.4
194.08969	2.6
195.06465	1.7
195.10185	9.1
200.09448	1.5
201.16483	1.3
203.06961	4.5
203.10635	4.6
205.08630	1.8
217.15881	2.6
221.11732	7.6
226.96016	1.5
237.08997	2.3
253.08731	1.8
265.08377	2.1
267.09863	1.7
329.13272	2.8
357.16586	3.9
357.27859	3.2
375.14420	10.4
375.21716	1.7
380.37180	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05016	0.8
68.05035	0.6
70.06594	8.3
71.35748	0.5
72.08161	0.6
83.75267	0.2
83.81154	0.3
84.04462	0.3
84.52761	0.3
86.06073	2.8
91.05485	1.9
96.08123	0.5
98.09721	0.3
103.05512	0.4
105.07037	0.7
114.05529	6.9
114.09052	0.3
115.05432	0.4
116.06217	0.7
117.07043	0.6
119.08552	0.8
129.06973	0.8
131.08553	1.4
134.85242	0.3
142.06497	0.3
142.08643	9.4
143.04951	0.6
144.08096	2.7
145.06499	1.6
145.08846	1.1
151.03940	0.5
158.09653	1.2
160.07576	1.0
172.07573	1.0
190.08588	0.3
202.08585	1.5
204.10199	100.0
205.10507	2.1
215.82498	0.3
218.11746	1.0
248.09065	0.7
258.59451	0.3
259.14417	0.5
283.07303	0.3
331.16519	1.1
357.45306	0.3
359.06100	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	8.9
67.05480	7.5
71.51795	8.3
79.05482	20.4
81.03404	10.8
81.07034	9.6
85.02933	6.1
91.05466	19.8
92.92183	4.6
93.07038	6.6
95.04967	59.9
95.08587	7.0
97.02894	7.5
103.05447	33.6
104.05814	4.7
105.07040	14.4
107.04956	67.9
109.02873	20.9
111.04477	9.0
115.05435	9.3
119.04935	8.1
121.06477	15.2
123.04426	20.1
124.07608	6.0
125.02362	21.3
125.06003	12.0
131.04932	50.2
133.02893	6.2
133.06497	11.0
135.04405	14.2
135.08072	7.3
137.05954	54.9
139.03951	9.0
140.74437	4.8
149.05975	19.9
151.03902	100.0
151.07549	17.3
153.05467	21.1
157.67235	5.3
159.04501	6.1
161.05983	18.9
161.55855	5.4
163.07565	25.7
166.71902	5.3
167.03397	14.6
167.07042	51.5
167.57707	4.9
173.06105	4.9
175.07471	30.4
177.05473	22.8
177.09119	69.0
179.07085	5.9
181.06432	5.5
191.07047	12.6
193.08614	36.8
195.06494	60.9
195.08105	9.2
195.10136	5.5
197.09399	6.2
203.07022	5.5
213.07545	8.9
219.10196	5.9
221.08134	6.4
233.08081	6.1
265.08432	5.3
267.10089	5.9
279.10062	6.3
287.09882	5.3
295.09619	5.5
297.11227	8.6
313.10684	6.3
315.09671	9.6
329.13770	24.9
357.13705	29.6
375.14801	28.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1437
Annotation	7'-hydroxymatairesinol
Peak:m/z	Relative Intensity
53.03931	2.4
55.01878	8.7
55.05504	1.9
67.05506	3.6
69.03417	4.0
70.06573	5.4
70.71155	1.7
70.80457	5.4
73.02896	5.7
78.04702	2.3
79.05489	11.8
81.03414	2.2
81.07053	4.0
85.02884	4.3
86.09718	8.9
91.05484	19.6
93.07047	3.2
94.04154	2.8
95.04992	9.6
95.08630	2.2
97.02905	2.5
103.05453	6.8
105.07030	7.5
107.04958	17.8
107.92157	2.0
109.02920	4.2
109.06516	3.9
109.37716	1.8
111.04455	4.1
115.05462	4.3
117.07013	2.2
118.04171	2.1
119.04945	16.2
119.08610	2.0
120.08138	1.9
121.06496	5.8
122.03649	7.0
123.04413	6.4
125.06001	3.6
131.04919	8.2
132.17693	1.6
133.02853	3.5
133.06497	5.2
133.10135	2.9
135.04414	8.1
135.08167	2.1
135.93246	1.7
137.05978	100.0
137.09558	2.1
138.06264	2.1
139.03827	1.8
143.04874	3.3
144.73341	1.6
145.06442	1.9
146.03572	2.5
147.04398	21.6
149.05960	10.7
151.03896	11.5
151.07523	5.3
152.04636	1.9
153.05423	10.9
153.06689	2.2
159.04420	2.4
161.05986	20.8
163.03958	1.7
163.07555	6.6
165.05518	4.9
165.06935	2.7
165.09135	2.1
167.03304	2.1
167.05693	2.4
167.07045	43.0
167.08443	3.8
168.07468	2.0
172.05179	2.7
172.08716	2.2
175.07547	13.7
177.05450	7.9
179.07045	38.5
179.08542	3.0
180.07675	2.1
181.06528	3.8
191.06999	7.1
193.04964	4.7
194.07095	2.3
195.06485	6.5
195.08035	3.1
197.06105	2.2
201.09154	1.6
201.11009	1.8
201.55821	1.9
203.06989	9.0
204.10184	4.4
205.06352	2.3
207.08138	3.3
209.07986	3.2
209.09703	2.2
211.07484	1.8
213.09120	2.9
215.06754	2.1
216.07664	2.1
219.10229	3.5
221.06006	4.4
221.08018	3.9
223.07515	3.6
223.09633	3.4
227.06982	2.4
235.07547	3.1
237.09029	4.0
239.07076	2.8
239.10840	1.8
240.07877	2.0
240.14986	2.1
243.08754	6.8
250.06267	2.0
251.06993	4.4
253.08620	7.7
255.06862	1.9
263.07159	3.0
264.07587	2.6
265.08417	3.7
267.10150	4.0
269.08020	2.1
273.11172	4.8
277.08542	3.2
279.06525	2.2
283.09735	2.8
285.11151	5.0
295.09543	5.5
299.09161	2.4
305.10291	2.9
307.09555	4.6
309.11176	4.2
311.09006	3.0
313.10617	2.3
315.12256	5.8
321.18961	2.0
327.12326	5.4
339.12045	5.4
345.13458	3.8
357.12473	8.3
375.13760	15.5
375.19763	10.7
383.03574	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	375.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	8.5
67.05499	11.1
69.63949	30.4
72.53690	4.8
79.05477	20.3
81.03396	7.5
81.07041	8.6
85.02868	6.0
91.05478	13.8
93.18117	5.7
95.04973	71.8
103.05465	22.8
105.07038	10.1
107.04940	56.5
109.02867	13.9
111.04427	6.6
115.05421	8.9
121.06506	15.6
123.04421	15.3
125.02358	18.7
131.04924	26.3
135.04395	12.3
137.05994	39.6
145.06509	5.6
149.05995	14.2
151.03908	100.0
151.07492	11.9
152.04143	5.8
153.05463	14.4
161.05934	13.6
163.03885	4.7
163.07509	15.1
167.07040	49.4
175.07544	21.5
177.05513	13.9
177.09126	46.3
179.07066	5.1
181.04913	7.1
193.08644	16.5
195.06519	42.0
195.10091	5.1
203.07120	6.9
213.07541	8.6
227.08139	7.9
238.14464	6.7
255.07722	8.1
286.83517	5.5
315.10022	7.4
329.13959	9.8
357.13354	9.3
375.11435	8.9
375.14731	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	375.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61421	8.3
58.18611	9.2
61.17379	9.7
69.23531	94.2
69.23911	17.9
79.05497	18.0
87.56136	9.9
87.63898	8.4
93.07021	13.0
95.04955	41.7
98.21552	17.1
107.04949	66.6
109.02854	19.2
117.77411	8.8
122.03674	15.3
125.02347	18.5
131.26085	9.0
137.05971	72.4
149.05893	17.1
151.03891	100.0
153.87611	8.6
161.06015	9.7
177.05545	11.3
181.04890	58.8
195.06587	17.4
213.07510	15.8
241.08334	8.6
245.76538	8.6
375.14340	10.6
375.57086	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	375.1283
Annotation	Gentioflavoside
Peak:m/z	Relative Intensity
79.05470	18.5
87.45959	10.4
94.21497	11.4
95.04966	43.2
98.64506	10.5
103.05514	13.1
107.04980	100.0
109.02861	20.0
125.02328	15.6
149.05923	18.3
151.03885	68.8
177.05470	21.3
195.06561	41.1
213.07449	15.7
238.77257	11.3
326.50522	12.1
364.00641	10.6
364.58963	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	374.2002
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	25.7
66.32372	2.0
67.05479	2.0
70.73090	6.7
71.95260	6.2
74.97611	3.0
77.66476	2.0
79.05477	3.0
81.07046	2.2
87.04479	2.2
91.05484	2.5
105.44371	1.9
107.11028	2.2
110.97599	4.4
128.98639	12.4
129.09114	7.9
135.39612	1.9
146.99625	14.2
154.30806	2.1
161.01276	2.7
165.00752	4.7
184.07259	3.4
203.05809	3.1
211.30589	2.4
239.61609	2.2
250.74956	2.1
263.09525	5.0
274.53720	2.1
315.16272	42.2
316.16946	3.0
331.15802	4.3
333.17358	100.0
334.17584	6.6
351.18442	40.0
351.22714	2.2
356.19025	22.5
374.19998	5.4
374.31537	2.6
374.36078	2.7
391.16589	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.3626
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.7
57.06801	0.4
57.07072	7.4
57.50952	0.3
58.06602	1.6
65.52152	0.3
68.05013	0.4
69.56396	1.0
69.56828	1.5
70.06590	18.1
71.08631	2.8
72.08141	0.6
78.63971	0.3
81.27389	0.3
84.08151	0.6
85.10178	1.4
86.09695	0.5
88.07628	19.9
94.16840	0.3
99.33302	0.3
102.09174	13.4
102.30521	0.3
105.93523	0.3
119.83819	0.3
132.10223	1.0
150.11255	0.4
154.29364	0.4
268.30005	1.1
294.31372	0.4
312.32599	37.6
313.33078	1.0
356.35199	2.6
374.36273	100.0
375.36621	4.3
385.53088	0.3
397.80667	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1645
Annotation	Haplomitrenolide C
Peak:m/z	Relative Intensity
52.15610	5.1
52.61728	4.5
53.03935	8.1
53.75268	5.4
55.01873	6.6
55.05512	33.9
57.03427	8.9
65.03941	7.5
67.05506	87.6
69.03413	5.8
69.07064	16.4
71.25002	12.8
79.05499	73.5
81.03420	100.0
81.07056	61.3
83.04961	12.7
83.08607	12.8
89.03916	6.7
91.05479	67.2
93.07038	53.9
95.04974	49.8
95.08586	22.1
97.06544	31.8
97.10168	6.6
103.05460	6.9
105.07020	46.5
107.04970	13.5
107.08578	18.6
108.64986	5.9
109.06564	8.5
109.10136	22.7
115.05424	11.3
117.03385	5.9
117.07050	6.3
119.08569	35.5
121.10144	28.2
122.10941	5.0
123.11691	7.5
129.06978	19.4
131.04941	10.3
131.08594	18.9
133.02858	12.6
133.10107	28.9
135.04329	6.8
137.05954	5.3
145.06476	10.8
147.04428	18.0
147.11697	23.2
149.05949	10.7
149.09595	23.9
155.05003	5.2
157.06471	16.5
157.10121	18.3
159.04399	30.2
161.02345	29.6
161.05943	9.8
163.03888	98.8
165.12773	12.2
173.02338	63.4
173.05960	22.6
175.11147	12.3
176.11954	24.2
185.05986	18.7
187.03905	47.0
187.07513	6.5
189.05458	7.9
193.12224	11.5
197.05978	8.4
199.03882	28.3
199.07587	7.6
201.05455	20.1
211.07695	5.8
211.13306	8.8
213.05496	71.8
213.08897	7.3
225.05418	10.7
227.07019	13.2
231.06424	5.6
239.07059	8.4
239.55824	6.4
265.12378	5.4
267.13837	67.2
283.13278	15.3
285.14859	8.0
293.11703	28.2
309.14740	10.0
311.12769	40.1
311.16318	13.1
327.15863	16.4
329.13770	14.7
337.14282	49.3
355.15463	99.1
373.16479	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.164
Annotation	Haplomitrenolide C
Peak:m/z	Relative Intensity
51.76436	8.9
52.72027	8.3
53.03928	10.7
53.46410	8.6
55.05508	21.6
59.32952	9.9
64.37753	9.7
67.05500	77.2
69.03398	16.8
69.07037	17.0
69.36459	90.4
79.05492	71.5
81.03411	18.5
81.07032	47.9
83.04967	13.9
83.08643	11.1
91.05480	75.1
93.07033	40.6
95.04978	75.8
95.08604	15.6
97.06514	53.7
98.20805	18.1
99.25757	9.3
105.07027	44.8
107.04952	12.5
107.08560	12.8
110.50424	9.1
117.07024	17.7
119.08563	25.5
128.06253	13.9
129.06982	36.2
131.04848	10.8
131.08502	27.0
133.02873	12.5
133.10097	36.8
138.15862	8.7
140.46222	10.0
147.04344	10.5
147.11630	52.4
153.06999	12.7
157.06467	22.1
157.10139	13.9
159.04378	18.1
159.11679	14.3
161.02316	34.4
163.03926	64.4
163.87613	11.3
172.92345	9.1
173.02325	38.6
175.11163	31.4
176.11946	43.4
185.05942	18.8
187.03883	47.8
193.12222	15.4
194.83234	9.8
197.05920	11.3
199.03896	36.0
205.05171	10.6
213.05475	93.4
217.04982	23.4
225.05443	28.4
227.06992	12.8
231.06429	49.4
239.07056	32.6
253.08478	10.9
305.10321	15.3
309.14639	22.4
319.13269	15.6
327.15659	12.4
337.14340	100.0
355.15402	55.7
373.16510	23.1
375.40543	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	373.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02123	5.7
55.05498	20.7
67.05509	36.9
69.03419	9.3
69.07066	12.6
69.23693	59.8
69.24084	9.3
71.71958	5.5
79.05489	60.7
81.03404	30.5
81.07054	49.3
83.04965	11.0
83.08574	7.6
89.03878	5.8
91.05482	68.2
93.07047	43.0
95.04964	23.7
95.08594	15.6
97.06509	9.3
103.05457	11.1
105.07025	36.6
109.06515	8.5
109.10101	8.4
115.05454	8.0
117.03390	11.5
117.07002	14.1
119.08574	23.4
121.10152	8.1
128.06200	8.7
129.06979	24.2
129.53723	6.7
131.04938	8.5
131.08588	17.2
133.02876	14.9
133.10156	31.9
135.04352	9.2
135.28900	6.7
141.07004	10.1
147.04382	7.6
147.11700	33.8
149.06052	7.5
150.69205	5.9
155.31522	7.2
157.06512	14.6
157.10167	16.6
159.04347	9.3
159.11766	10.1
161.02371	46.8
162.03130	12.3
163.03883	73.1
173.02382	42.5
173.06050	13.2
175.03801	9.1
175.11166	22.2
176.11957	27.3
177.12779	9.9
181.06490	9.8
185.05945	21.5
185.07544	5.7
187.03896	49.5
189.05495	8.6
193.12279	15.6
199.03938	37.6
201.05498	7.7
213.05463	75.7
217.05060	9.0
224.84735	6.4
225.05463	28.6
225.09045	6.3
227.06963	7.4
231.06541	17.8
239.07007	17.0
267.13858	6.7
309.14963	14.8
317.54163	6.1
319.13181	13.0
327.15787	9.1
337.14371	100.0
338.14621	8.0
355.15201	31.8
373.16104	9.4
374.16299	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	373.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31124	4.8
53.69428	4.8
55.01862	4.7
55.05507	14.5
67.05511	40.3
69.03412	5.3
69.07055	12.1
69.23715	52.0
71.04993	10.5
73.40096	4.7
77.03963	4.5
79.05500	60.2
80.06255	6.4
81.03419	20.0
81.07056	31.3
83.04998	7.3
83.08614	6.0
85.06569	5.5
89.03928	9.4
91.05488	64.5
93.07043	28.0
95.04983	16.1
95.08616	15.3
97.06555	7.9
103.05453	5.1
105.07034	28.7
107.04964	11.9
107.08610	12.3
115.05457	7.0
117.07031	9.8
119.08577	19.1
128.06239	13.4
129.07002	22.7
131.04871	7.1
131.08575	15.9
133.02870	10.7
133.10107	28.6
135.04416	13.4
145.02803	6.7
145.06499	7.2
147.04414	5.7
147.11676	20.5
149.05943	7.0
157.06508	14.4
157.10149	15.9
159.04411	16.3
159.11673	8.7
161.02350	34.8
161.05894	9.0
162.03152	8.5
163.03915	82.5
173.02293	25.1
173.06068	13.9
175.11212	22.9
176.11920	32.7
177.12730	14.2
179.03413	4.9
181.06564	5.7
183.04445	7.5
185.06020	16.7
187.03911	48.7
189.05489	6.2
192.11186	5.7
193.12280	13.6
194.40028	4.7
197.06067	11.7
199.03929	28.1
205.05122	4.5
211.07697	9.3
213.05470	78.5
215.06871	5.2
217.04948	12.1
225.05437	25.2
227.07019	10.7
231.06526	23.0
239.07066	24.7
249.05559	6.3
253.08546	11.8
309.14877	15.7
311.12851	6.7
319.13339	20.8
337.14395	100.0
355.15332	31.7
373.16678	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	373.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70737	1.2
51.94096	1.3
53.03936	1.5
55.01868	2.4
57.03441	1.3
69.38343	1.5
69.38748	9.5
78.04713	1.2
79.05486	9.2
81.03403	4.4
82.88745	1.3
84.08156	1.4
85.02913	1.7
86.09708	1.4
91.05460	6.4
95.04954	3.7
97.02937	1.2
98.20702	2.3
103.05468	18.1
105.07018	9.5
106.04164	1.5
107.04950	99.2
108.05280	1.6
111.78775	1.3
115.05462	5.6
117.06969	2.7
118.06557	1.9
119.04932	1.8
120.05721	5.3
121.06511	1.8
123.04404	6.0
124.05137	2.3
125.00042	1.7
131.04926	12.1
133.06461	3.7
135.08046	30.7
137.05960	20.2
138.06270	1.3
139.03938	2.2
145.06517	1.5
145.07556	3.1
147.04440	2.3
149.05975	3.3
151.03856	2.4
152.08299	1.5
153.05548	1.9
154.06238	1.7
159.04341	1.3
161.05948	3.6
163.07538	100.0
164.07895	2.7
165.89935	1.3
167.07028	56.6
174.06757	1.4
175.07594	2.5
176.14319	3.6
177.05463	1.6
179.07094	1.7
181.08595	3.2
181.72157	1.2
187.07237	1.4
189.05554	1.5
193.08565	5.1
195.10162	45.1
195.11902	3.1
196.10509	1.7
202.15858	8.7
211.07451	1.4
211.09656	2.3
213.11238	3.9
220.16933	15.3
251.06915	1.8
253.08588	2.0
265.08682	2.1
295.09830	1.7
297.11133	1.4
300.13531	1.4
313.10803	2.0
325.10706	1.4
327.11948	2.2
329.13727	1.6
341.13751	4.5
345.13391	1.7
355.11679	1.8
373.12576	1.6
373.16742	2.3
374.17368	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	373.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	3.1
62.53339	2.6
67.05495	5.2
69.03427	4.8
73.51937	2.4
79.05487	8.6
81.03391	7.4
83.06081	9.4
84.04491	10.1
84.43476	2.2
85.02885	12.3
86.09308	2.4
86.09715	25.7
91.05476	9.0
95.04946	22.1
95.08598	3.3
97.02870	4.5
103.05460	4.8
105.07011	6.5
107.04951	11.3
109.02893	18.5
109.06548	4.1
111.04430	3.8
111.08064	8.6
113.06010	4.2
119.04907	3.7
123.04416	11.4
123.08025	4.1
127.03894	7.5
127.04729	2.4
131.04913	4.3
132.10220	8.4
132.36061	2.7
133.06480	2.7
135.04416	5.9
137.05962	10.2
139.03889	3.2
141.05469	100.0
147.04405	9.9
151.02759	4.2
151.03902	52.4
151.05011	5.0
151.07532	4.3
161.05910	4.7
163.07622	4.9
165.05446	6.4
167.07051	9.7
169.04938	2.7
175.07498	2.7
177.05499	5.8
179.07014	6.0
179.53519	2.5
187.07518	3.3
191.07036	4.0
193.04984	5.9
196.14381	5.3
197.12807	4.5
197.88770	2.6
210.11215	4.2
211.06119	3.4
211.09666	61.1
212.09889	2.4
214.15405	3.6
221.05864	2.4
224.13951	2.8
235.07436	2.9
242.15047	2.9
282.84442	2.8
301.75531	2.6
319.77493	2.8
341.13992	4.1
355.14819	3.4
355.23456	6.5
373.12885	3.6
374.15958	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	372.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80323	4.2
53.03944	6.2
57.03424	9.3
67.05499	4.3
69.03434	50.4
70.06599	6.6
73.02930	8.1
73.04778	23.7
81.03429	7.3
81.07056	4.6
82.77283	4.4
85.02906	72.8
87.04471	24.3
91.05801	100.0
92.05751	16.3
97.02874	40.5
102.14235	5.0
107.04971	6.9
109.02888	6.1
114.07351	5.3
115.03922	43.8
117.03436	5.2
122.06083	6.3
125.61285	4.9
127.03911	12.3
133.04959	57.7
137.06044	5.8
145.04904	25.7
150.07596	8.0
151.03838	9.4
163.03954	5.5
163.06049	11.8
177.80724	4.6
178.08643	8.4
180.03883	6.1
210.11215	8.0
223.11847	5.6
226.56749	4.8
230.10478	4.9
266.99753	6.4
267.99881	6.4
269.97934	14.9
285.00931	12.4
286.00916	33.0
287.00812	5.9
304.02451	6.5
323.21210	5.8
356.07010	21.1
357.06610	6.0
372.14844	9.7
373.14496	11.3
374.07870	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1493
Annotation	Multifidol glucoside
Peak:m/z	Relative Intensity
53.03945	3.4
55.01872	0.7
55.05511	0.5
57.03440	0.4
67.05503	1.2
69.03430	1.0
71.04988	0.4
71.50954	0.5
79.05489	2.8
81.03420	5.1
81.07047	3.6
83.04982	2.2
85.02910	2.2
85.06549	0.6
86.09695	2.4
91.05460	1.7
93.07053	1.2
95.04967	5.8
95.08615	2.9
97.02892	1.3
99.04460	0.6
100.35973	0.4
103.05455	0.7
105.07034	3.4
107.04953	0.9
107.08596	0.4
109.02881	18.9
109.06518	4.1
111.02362	0.3
111.04438	1.1
111.08088	6.2
112.70296	0.4
113.06013	3.1
115.05424	0.6
117.06995	0.5
119.04929	1.5
121.06532	0.5
123.04425	3.7
123.08066	2.9
125.02379	2.2
127.03912	4.6
129.37782	0.3
129.43936	0.3
131.04951	0.5
133.06494	1.9
134.42714	0.3
135.04414	0.4
137.05986	1.5
139.03868	0.5
141.05461	100.0
142.05821	1.5
146.05991	0.6
147.04376	0.6
149.05991	0.4
151.03889	2.3
151.07539	4.5
159.04468	0.8
161.06010	2.0
165.05489	4.7
165.06882	0.5
167.07031	1.2
178.08621	1.5
179.07048	5.3
183.06532	0.9
187.03889	2.5
193.08615	1.0
210.11336	1.8
211.09650	60.3
212.10019	1.9
227.07109	0.4
249.84479	0.3
311.05380	0.5
373.13364	0.5
373.18127	1.9
374.15848	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	372.1842
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	7.5
70.20222	1.2
71.95245	0.8
76.23363	0.4
81.07029	0.6
97.96742	0.4
98.21519	0.4
98.97562	1.2
107.04911	0.5
110.97550	2.5
116.98599	1.1
128.98622	2.6
143.00137	0.6
146.08043	0.4
146.99680	2.3
153.02190	0.6
155.03792	0.7
157.01767	0.7
161.01152	0.8
161.87645	0.4
165.00600	0.5
167.03722	0.4
169.01668	0.5
171.03282	1.6
175.03951	0.6
179.02309	0.6
185.04819	2.1
189.04356	1.3
197.04842	0.6
199.06398	3.0
202.05139	0.5
203.05934	4.3
205.01984	0.4
205.05388	0.5
205.07341	0.8
207.05490	0.6
210.02150	0.5
211.06474	0.8
213.07985	0.8
217.07507	7.9
219.03261	0.7
222.08006	0.5
223.02818	1.4
223.06471	0.7
223.08524	1.0
226.05125	1.3
231.07111	0.6
237.04338	3.1
239.09540	0.5
241.07509	0.5
244.06230	0.5
247.09517	0.5
249.08035	0.7
251.05803	0.5
251.09593	0.5
253.11070	0.8
255.05405	1.3
262.08664	0.9
267.09067	1.4
271.12094	0.6
279.09052	0.7
280.09912	2.9
281.10568	1.2
285.10162	1.1
289.14572	0.6
297.10080	0.7
298.10870	1.1
299.11703	0.7
307.15875	1.4
313.14871	0.6
325.17151	0.5
331.15762	19.8
349.16867	100.0
350.17178	2.8
367.17975	4.2
372.18454	17.8
373.19034	0.8
390.19772	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03410	22.6
71.35921	15.9
79.05495	16.1
81.07051	19.0
83.04980	9.1
85.02911	16.6
95.04985	9.6
95.08604	24.5
101.72161	8.0
102.49595	8.1
103.58569	8.2
105.06979	10.3
107.08581	36.9
109.06493	16.7
109.10162	15.7
121.10124	33.5
130.32373	8.6
133.10126	100.0
135.08037	23.3
137.05946	27.1
137.09648	39.1
149.09570	11.2
149.13234	19.2
151.11179	62.4
163.14806	17.9
165.12819	20.6
167.07072	20.5
168.34756	7.8
173.13351	15.6
178.68382	8.6
191.14322	87.6
201.97350	7.3
209.15388	82.4
217.08559	27.6
249.09166	10.9
261.09000	10.6
277.08444	13.9
278.09647	16.3
309.11319	8.4
321.11078	17.3
339.12015	14.0
353.13821	24.4
371.14893	34.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.9
55.31475	3.0
67.05504	5.2
69.03439	4.5
69.07050	3.2
71.04988	4.2
71.72247	3.0
77.71679	2.9
79.05487	18.5
81.03407	3.6
81.07051	11.9
85.02898	4.3
89.06006	4.4
91.05441	17.0
93.06997	7.5
94.04160	4.5
95.04951	8.0
95.08604	4.2
96.63010	3.0
103.05470	10.9
105.07010	10.3
107.04964	28.0
107.08597	11.2
109.02858	7.2
109.06522	5.6
109.10148	3.6
111.04397	5.1
117.07038	4.9
119.08582	3.7
121.06496	4.5
121.10130	10.6
122.03642	5.6
123.04424	14.2
124.05219	6.5
128.06229	8.4
129.07011	15.7
131.04912	12.4
131.08562	10.3
132.05711	3.4
133.02873	4.8
133.10101	26.2
135.07985	5.1
137.04904	5.1
137.05969	94.0
137.09607	14.0
137.23590	3.0
141.06914	4.7
144.05692	8.2
145.06458	5.0
147.04349	3.7
149.05949	4.9
151.03915	11.9
151.07509	3.8
153.05484	6.3
155.04832	3.3
156.05682	24.9
157.06480	7.3
159.08044	24.3
161.05931	12.3
163.03905	5.7
163.07550	4.1
165.05461	6.1
167.07030	100.0
169.06308	3.8
174.06737	6.7
175.07581	16.9
177.05482	13.7
181.04942	10.3
181.06467	3.5
186.06761	3.7
187.07545	35.0
189.05501	6.5
189.09097	9.9
190.07768	3.9
191.06981	15.5
191.08586	7.0
191.10551	3.7
191.14301	10.7
192.07825	17.7
199.07579	3.8
202.06207	8.2
202.07831	9.3
203.08630	8.1
205.06491	5.5
205.08449	4.1
206.07239	6.7
207.08063	8.3
209.15518	3.6
215.08638	6.5
217.08583	75.4
218.07108	17.7
219.08022	17.0
219.10077	8.7
220.08743	4.8
221.06003	5.8
221.09581	10.7
222.06721	5.0
223.07555	7.8
226.06409	4.2
229.08600	4.3
231.08025	10.7
232.08847	5.5
233.09624	14.3
234.06642	19.4
235.07535	20.9
236.08240	7.4
237.08997	4.7
239.07054	13.1
241.08606	9.8
246.06815	6.8
247.07466	9.6
247.09697	25.7
248.08255	6.9
249.09081	25.3
250.09848	8.0
251.07071	6.5
251.10651	7.2
252.07713	3.8
253.08643	3.6
260.08334	5.5
261.09085	34.0
262.09714	3.9
263.07001	15.8
263.10254	5.2
264.07742	9.6
265.08530	11.6
266.09296	8.8
266.53427	3.8
269.07993	6.9
271.05826	5.8
275.06995	5.2
277.08542	27.6
278.09271	22.5
279.06833	6.8
279.10126	15.2
280.07465	4.8
280.10681	4.1
281.11679	7.1
283.09732	4.7
285.07547	22.1
289.08603	9.4
290.09427	3.9
291.06989	3.7
291.10129	5.2
292.07108	4.0
293.08057	8.8
293.11688	30.3
294.08841	6.4
294.11877	4.3
295.09650	7.4
296.10248	4.7
300.09897	31.6
301.10672	13.3
306.08923	8.7
307.09637	13.2
309.11203	29.4
311.09341	4.7
311.12778	8.7
313.10553	9.9
321.11212	32.2
322.11884	5.3
323.09131	12.4
325.10684	6.5
326.11392	21.0
327.12103	5.3
328.12976	6.2
338.11432	4.9
339.12213	36.6
340.12729	5.4
341.13782	25.7
353.13806	69.0
371.14944	66.3
372.15350	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	371.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.6
55.05508	0.9
57.03426	1.6
57.19280	0.7
59.04993	0.9
59.96426	0.7
61.02923	0.9
65.03944	1.0
67.05514	4.0
69.03436	4.5
69.07051	0.8
70.84698	2.0
71.04987	3.2
72.60621	0.8
73.04726	1.2
78.04720	0.8
79.05493	3.4
81.03404	3.1
81.07056	2.2
83.04971	2.8
83.08577	0.8
85.02917	7.7
85.06528	0.7
87.04446	1.0
87.42110	0.9
89.06029	10.3
91.05396	1.6
91.05882	1.0
93.07043	2.2
95.04969	100.0
97.02893	2.6
97.06540	2.1
99.04453	16.0
103.05457	2.1
105.07043	2.6
105.77599	0.8
106.06511	1.5
107.04944	7.2
107.08596	1.9
109.02887	3.0
109.06503	3.4
109.10155	3.3
115.05417	1.0
119.04921	1.7
119.08588	1.8
121.06475	1.4
122.03651	1.9
123.04436	3.5
123.08105	0.8
127.03930	2.6
128.06210	1.2
129.06985	3.0
131.04898	1.0
131.08543	1.4
133.06436	1.5
133.08614	5.1
133.10132	3.7
135.04390	2.3
135.08051	1.9
137.05969	11.7
137.09595	1.4
138.91902	0.7
139.03897	1.1
139.11130	0.8
144.05716	1.7
145.04962	1.2
147.04402	1.3
149.05980	2.5
151.03954	1.9
151.07538	1.5
151.11209	1.0
153.05557	1.8
153.07938	1.5
153.09109	23.6
153.10365	1.2
156.05717	2.7
158.07259	1.0
159.08046	2.3
159.45724	0.9
160.05109	1.0
161.05920	2.1
163.03859	0.9
165.05469	3.2
165.06923	0.7
167.07045	12.4
172.05142	1.1
173.13260	2.9
175.07571	3.6
176.07144	1.3
177.05496	4.7
177.11263	1.4
179.07088	0.9
179.08882	0.9
181.06441	1.0
187.03966	1.4
187.07524	6.2
189.09117	1.2
190.07716	1.3
191.07010	2.0
191.08563	1.1
191.14294	7.9
193.08699	1.0
195.06580	1.3
203.08636	1.1
207.08125	1.3
209.02785	1.0
209.08095	1.2
209.13512	1.7
209.15372	22.1
215.08519	1.2
217.08604	8.1
218.07358	2.2
219.08089	1.2
219.10216	1.2
221.09711	1.6
231.08098	1.8
233.09573	2.4
233.15408	1.2
234.06737	1.6
235.07504	1.5
238.10039	0.9
239.07047	1.8
241.08607	1.9
247.07413	1.5
247.09673	2.8
249.09050	4.0
250.09683	0.9
251.06938	1.2
255.06557	1.2
261.09048	4.5
262.09879	1.2
263.07028	2.2
264.07617	0.9
266.09354	1.1
269.08102	1.7
276.08038	0.8
277.08676	3.8
278.09363	2.0
279.06729	1.0
281.11737	1.3
285.00748	1.0
285.07513	4.9
289.08572	1.4
293.08109	1.8
293.11679	2.7
295.09705	1.3
300.09930	4.8
301.10660	1.5
307.09558	1.9
309.11298	2.7
311.09164	1.0
313.10599	1.4
315.14355	2.6
321.11218	5.1
322.11862	1.1
323.09067	1.9
326.11520	2.0
338.11371	0.9
341.13803	3.5
353.10471	1.2
353.13940	11.7
362.00732	0.8
371.11386	1.5
371.16327	10.3
371.20923	4.0
372.14542	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	371.2062
Annotation	(6R,9S)-3-Oxo-alpha-ionol beta-D-glucoside
Peak:m/z	Relative Intensity
55.05513	0.9
61.26954	0.8
65.60373	0.7
66.85989	0.8
67.05495	1.7
69.03423	3.3
69.07040	0.9
70.35699	3.1
73.50448	0.7
79.05483	3.7
79.22811	0.7
80.94696	0.6
81.07053	4.8
85.02894	3.2
91.05491	3.6
93.07027	1.7
95.04890	0.7
95.08611	1.2
97.02916	0.7
99.26982	0.7
105.07041	5.3
107.04947	2.0
107.08583	14.7
109.06515	6.1
109.10161	4.5
111.42657	0.7
113.43506	0.7
115.05407	1.6
117.07014	2.1
119.08556	3.4
119.57770	0.7
121.06584	0.9
121.10141	10.8
122.07314	3.5
123.08049	0.8
131.08580	0.9
133.10127	100.0
134.10443	1.5
135.08040	10.3
137.05998	1.3
137.09616	56.7
147.11676	1.7
149.13255	11.3
163.14850	3.0
165.12825	0.7
173.13266	5.5
187.16261	0.7
191.14305	35.8
209.15359	9.2
210.80214	0.6
236.54195	0.7
247.09692	0.8
371.15231	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.149
Annotation	Spiraformin B
Peak:m/z	Relative Intensity
53.03952	1.7
55.01866	2.4
60.02625	1.2
61.02933	2.7
69.03429	7.3
71.35772	1.8
71.36105	1.3
79.05488	5.3
79.18199	1.2
81.03427	2.9
81.07038	2.2
85.02905	13.4
91.05487	2.2
95.04970	4.9
95.08672	1.3
97.02896	4.6
103.05489	6.3
105.07008	3.1
107.04984	8.9
109.02896	3.1
109.06504	2.2
115.05438	3.2
119.04945	1.8
121.06462	2.4
123.04440	1.4
123.08061	2.6
127.03937	3.6
128.06200	1.8
129.07024	3.7
131.04936	4.9
131.08621	1.8
133.06516	3.6
135.08051	6.8
137.05975	7.4
138.09164	1.2
139.03883	1.3
141.07059	1.4
143.86192	1.4
145.05003	5.4
147.04376	2.2
151.03893	2.0
156.05713	1.6
157.06566	1.7
159.08073	1.8
161.06021	3.1
163.03940	1.7
164.07104	3.4
165.05588	2.3
165.07030	2.2
165.12752	10.4
167.07056	18.0
167.08470	2.3
173.06004	1.8
175.07568	4.1
177.05481	2.6
178.07808	3.1
179.08575	1.4
181.06520	1.9
185.06042	1.3
187.07556	4.3
189.07085	2.8
189.09015	2.4
190.07841	2.1
191.07047	3.0
191.08615	2.0
191.14316	17.1
193.08626	1.8
193.15952	2.2
194.07312	3.2
195.08080	2.1
197.06035	2.0
199.07614	2.8
203.08629	2.1
205.06569	2.2
206.07289	5.8
207.08194	3.2
209.06035	2.4
209.15475	2.1
211.07684	1.9
217.06775	1.3
217.08690	5.2
218.07248	3.1
219.08069	3.6
221.06010	4.1
221.09657	1.7
222.06734	5.4
223.07637	3.7
224.08336	2.3
231.08119	2.3
232.08963	1.8
233.09677	5.1
234.06808	5.4
235.07532	7.7
236.08359	4.7
237.05443	2.2
237.09119	3.2
239.07027	2.4
240.07834	3.8
247.07492	1.6
248.08363	2.1
249.05521	1.4
249.09125	17.3
250.06367	3.9
250.09860	2.7
251.07094	6.2
252.07803	13.3
253.08591	2.3
257.08041	2.3
260.08386	2.4
261.09131	5.1
262.06613	1.6
262.09747	2.0
263.07117	4.5
264.07709	6.2
265.05328	2.4
265.08572	20.6
266.09299	10.8
267.06650	1.6
267.10046	2.3
268.07416	1.5
269.08282	1.9
277.08661	6.9
278.09406	5.2
279.06680	2.1
279.10129	2.1
280.07358	13.2
280.10495	2.5
281.08066	6.3
281.11636	2.9
283.09723	1.5
285.07663	5.1
289.08813	1.7
292.10733	2.0
293.08298	3.4
293.11786	14.4
295.09622	6.2
296.10464	11.3
300.09995	8.5
301.10388	1.5
307.09607	3.2
309.11295	7.5
310.11884	2.6
311.09454	2.2
311.12698	9.7
312.12570	7.3
313.10696	1.9
313.14200	1.5
315.35431	1.3
321.11243	10.8
326.11429	2.0
327.12411	4.2
328.12970	2.6
338.11789	1.5
339.12271	100.0
340.12671	10.3
341.13971	5.9
341.93628	1.5
343.55402	1.6
353.13800	8.1
356.12506	1.7
371.14999	49.3
371.20624	8.1
372.15472	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.149
Annotation	Fragransol D
Peak:m/z	Relative Intensity
55.05487	1.7
61.76875	1.4
69.23782	17.0
78.04719	2.4
79.05489	12.3
81.07014	2.2
91.05476	6.3
93.07031	2.4
95.04966	3.4
103.05465	5.7
105.07002	5.2
107.04956	21.1
115.05439	4.2
119.08558	2.7
123.04424	7.4
124.05202	4.8
125.06010	2.2
128.06224	4.4
129.07022	8.8
131.04913	5.7
131.08565	3.3
132.05717	2.9
133.06502	6.2
137.05969	21.6
141.07011	2.2
144.05724	2.2
145.06458	3.4
149.05911	2.7
151.03886	2.8
152.04677	3.4
153.05435	1.9
156.05693	5.3
157.06502	2.6
159.08064	9.3
160.05190	3.1
161.05960	9.9
165.06946	2.7
167.07042	100.0
168.07391	2.1
172.05231	4.2
173.05907	2.3
174.06781	2.5
175.07552	28.2
177.05492	2.8
177.08923	1.9
179.07104	3.0
179.08638	2.4
184.05247	1.9
185.05824	2.1
187.07552	24.7
189.06963	2.1
189.09058	3.6
190.07730	2.9
191.07045	6.1
191.08594	2.8
199.07568	8.9
201.09122	2.4
203.08551	4.7
205.06419	3.4
205.08394	1.8
206.07320	4.8
207.08063	4.0
209.05919	2.6
209.07974	1.7
211.07544	3.5
213.05518	4.1
215.08701	3.3
217.06705	3.2
217.08624	14.5
218.07263	5.9
219.08040	6.1
220.08852	2.1
221.09583	5.7
223.07608	4.0
224.08224	2.3
225.05515	2.3
225.09041	1.6
226.05972	3.1
231.08070	5.1
232.08794	3.7
233.09560	7.8
234.06764	6.3
235.07509	7.6
236.08263	3.1
237.09021	1.9
239.06889	4.3
240.07701	2.4
241.04893	2.6
241.08646	3.5
242.05743	2.0
245.80185	1.6
246.06619	2.7
247.07442	5.3
247.09776	4.7
249.09047	12.1
250.06281	2.5
250.09714	3.3
251.07117	4.6
251.10629	2.3
252.07870	9.3
255.06396	1.9
260.08298	2.4
261.09079	10.7
262.06345	2.1
263.07019	7.5
264.07858	2.5
265.08575	6.7
266.09357	5.9
267.10007	2.5
271.06442	1.8
276.07480	2.0
277.08624	11.2
278.09219	5.8
279.06647	2.8
279.10086	3.5
280.07346	4.7
281.08459	3.2
281.11752	11.5
282.08905	2.3
285.07590	7.8
289.08545	5.0
290.09219	2.8
291.10385	2.9
293.08228	3.5
293.11725	9.7
294.08844	2.1
295.09601	4.7
296.10645	2.4
297.10971	2.3
300.09927	15.1
301.10504	5.0
306.08722	3.8
307.09601	6.6
308.10132	2.5
309.11142	14.8
310.11945	3.2
311.09256	2.6
311.12686	4.1
313.10660	4.9
321.11157	15.3
322.11728	2.6
323.09152	2.2
325.10580	2.6
326.11459	5.1
327.12085	5.3
338.11270	3.2
339.12271	34.7
340.12750	3.5
341.13904	12.9
353.13773	19.4
371.14862	28.4
372.15085	2.2
391.16953	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1492
Annotation	dihydrocurcumin
Peak:m/z	Relative Intensity
51.12149	3.0
53.03933	7.7
55.01866	3.5
55.05497	3.0
55.65961	3.0
65.03927	3.5
67.05506	5.8
69.03428	22.5
70.06583	3.9
71.04998	6.1
71.50902	5.2
73.02905	3.6
73.04733	3.3
78.51952	3.0
78.70382	2.9
79.05492	29.6
81.03394	10.1
81.07059	7.4
83.04980	6.1
85.02906	17.9
87.04493	3.8
91.05404	19.2
93.07034	10.6
94.04177	4.8
95.04967	44.1
95.08627	3.5
97.02891	9.8
99.04421	5.8
100.11253	2.8
103.05480	17.9
105.07011	13.9
107.04955	100.0
108.05284	3.8
109.02877	36.5
109.06519	14.3
111.04431	6.4
111.08112	5.3
113.05965	3.5
115.05450	5.8
117.93429	3.0
119.04893	7.6
119.08581	6.2
121.06511	17.4
121.10069	4.6
122.03630	8.7
123.04446	16.0
124.05223	3.3
125.02352	5.0
125.06012	5.3
125.07084	3.6
127.03933	12.1
128.06229	5.4
129.05440	5.2
129.06998	14.0
131.04956	16.0
131.08551	9.5
133.02809	6.3
133.06473	10.2
133.10153	3.6
135.04410	35.3
135.08040	4.5
137.05983	80.7
137.09575	2.9
139.03867	16.0
141.06949	5.0
144.05710	8.5
145.06467	4.5
147.04381	6.1
147.06604	4.2
147.08005	5.8
149.05983	25.7
149.09647	6.1
151.03923	38.0
151.07521	4.2
152.10745	5.3
153.05482	9.7
156.05736	16.8
157.06448	8.4
159.04445	6.3
159.08047	24.1
160.05145	4.7
161.05945	12.9
163.07571	7.6
165.05476	65.4
167.07024	72.0
172.05190	12.7
173.05978	4.3
174.06764	5.9
175.07541	19.0
177.05486	39.2
179.07071	4.2
180.10234	7.0
181.04951	9.9
187.07524	43.9
189.07028	5.3
189.09052	9.6
190.07750	4.3
191.06949	10.7
191.14302	5.3
193.10185	4.2
195.06467	18.7
195.08008	3.7
199.07520	4.8
201.09091	3.7
203.08551	9.5
206.07320	3.6
207.08035	4.6
209.06273	3.9
209.08069	16.6
209.15350	6.0
210.11185	3.7
210.14923	6.8
215.06892	6.0
215.08740	5.2
217.06578	7.1
217.08562	50.2
218.07280	14.5
219.08070	6.7
219.10138	5.3
221.09639	6.4
223.07480	4.1
227.08987	4.4
231.07997	10.6
232.08908	3.1
233.09634	14.4
234.06744	12.8
235.07559	8.3
239.06918	4.8
241.08598	6.5
247.07460	6.5
247.09695	10.7
248.08434	4.0
249.09068	19.1
250.09811	3.6
251.06999	7.6
260.08392	3.5
261.09238	17.4
262.09924	5.0
263.07077	9.2
265.08597	6.9
266.09460	4.6
269.08020	4.5
274.06339	3.1
277.08585	16.8
278.09332	8.2
279.06619	4.1
281.11758	7.1
285.01038	3.7
285.07620	11.8
289.08649	6.9
291.09967	5.6
293.08414	5.3
293.11697	11.9
294.08823	4.4
295.09631	6.8
300.09842	13.2
301.10568	5.8
306.09012	8.2
307.09677	12.0
309.11136	16.9
311.09143	3.9
313.10388	4.4
321.11310	21.5
323.09045	8.4
326.11438	15.2
327.12180	4.6
338.11362	6.2
339.11594	5.9
341.13782	19.3
343.15158	3.4
353.13818	48.1
354.14154	4.3
355.07019	4.7
371.05630	7.7
371.15323	35.2
371.21640	6.2
372.15671	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	371.1488
Annotation	Spiraformin B
Peak:m/z	Relative Intensity
55.01870	2.6
60.52552	0.9
69.85231	2.6
69.85649	3.6
79.05478	1.6
80.75397	1.0
85.77314	1.1
91.05481	3.4
93.90816	0.9
95.02341	0.8
95.04988	1.1
98.20885	1.5
105.06994	1.7
107.04942	5.1
111.04412	1.2
115.05446	1.6
119.08549	1.0
128.06242	2.0
129.07005	1.4
131.04939	2.2
131.08578	1.6
137.05974	14.9
144.05728	1.9
145.06528	2.0
147.04341	1.3
151.03932	1.0
151.07526	1.7
154.51526	0.9
156.05701	3.1
157.06551	2.0
158.07381	1.2
159.08070	2.8
163.03928	1.0
165.06975	2.2
167.07040	10.2
172.05275	1.3
173.06059	1.0
175.07521	2.6
177.05536	2.0
178.07782	3.2
179.08551	2.3
181.06497	3.1
187.07544	3.4
189.07048	2.7
190.07782	1.4
191.08635	1.2
194.07272	3.2
195.08070	1.6
202.06300	1.0
203.08675	1.6
205.06531	2.7
205.08466	1.3
206.07262	4.3
207.08058	4.8
208.08757	1.8
209.06035	2.3
209.09653	1.6
210.06772	1.3
211.07512	1.1
215.06822	1.6
215.08710	2.4
217.06676	1.7
217.08560	7.6
218.07303	3.6
219.08292	2.1
221.05969	4.1
221.09709	2.4
222.06802	5.3
223.07515	3.0
224.08379	3.4
225.05351	1.4
231.08099	1.9
232.08876	1.8
233.09618	4.9
234.06860	5.6
235.07610	8.2
236.08218	5.1
237.05479	4.4
237.09129	4.5
238.06029	1.2
239.07030	5.0
241.08595	2.9
242.05917	1.4
246.06639	1.6
247.07446	2.3
247.09624	2.4
248.08379	1.7
249.05418	1.5
249.09102	15.7
250.06502	4.5
250.09889	4.6
251.07019	5.4
252.07809	14.0
253.08591	3.5
260.08386	1.2
261.09119	5.6
262.06241	1.6
263.07001	5.9
264.07794	6.1
265.05389	2.0
265.08603	20.5
266.09357	10.2
267.06781	1.8
267.09979	2.8
269.08191	2.1
271.06000	1.7
277.08597	7.6
278.09363	5.7
279.10120	1.4
280.07306	13.5
280.10425	1.9
281.08099	6.3
281.11356	1.5
283.09589	1.1
285.07709	6.5
289.08740	2.6
293.04868	1.2
293.08124	4.5
293.11725	12.9
294.08746	2.1
295.09607	6.2
296.10419	7.4
297.10892	1.2
300.09912	7.4
301.10776	1.8
306.09009	2.1
307.09482	2.6
308.06784	1.1
309.07852	1.7
309.11261	5.6
310.11868	1.2
311.12747	8.9
313.10696	3.2
321.11301	9.1
322.08221	1.2
322.11642	1.3
323.09177	2.4
324.09698	1.2
325.10492	2.0
326.11331	2.6
327.12357	1.2
338.11594	1.6
339.12277	100.0
340.12692	8.5
341.10022	2.9
341.13571	1.9
353.13928	9.4
356.12228	1.4
371.14908	40.2
372.15131	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1488
Annotation	4beta-Hydroxyobovatachromene
Peak:m/z	Relative Intensity
53.03939	11.2
55.01868	5.4
57.03438	3.0
60.02136	4.2
65.03943	4.0
67.05510	7.3
69.03433	16.1
69.11353	2.8
71.01363	5.1
71.05001	8.4
79.05500	28.6
81.03424	14.2
81.07053	7.3
83.04969	6.3
85.02913	20.2
91.05444	17.8
93.07051	10.0
94.04227	4.7
95.04964	38.9
96.05333	2.9
97.02911	9.0
103.05481	9.5
105.03416	3.0
105.07048	10.4
107.04957	100.0
108.05289	3.4
109.02874	33.1
109.06539	8.1
111.04437	9.6
117.07001	3.1
119.04984	5.1
119.08595	3.8
121.06514	15.9
122.03668	7.0
123.04448	11.1
124.05268	3.5
125.02361	8.5
125.05995	7.7
127.03931	8.0
128.06195	7.2
129.05464	3.1
129.07011	12.1
131.04944	11.0
131.08606	7.9
133.02904	5.2
133.06508	5.3
135.04410	64.2
136.04726	21.5
136.08344	4.2
137.04939	9.0
137.05980	93.9
139.03966	15.7
141.05481	4.9
141.07005	4.2
144.05737	9.7
145.06403	3.2
147.04398	4.6
147.06639	3.1
147.11642	4.4
149.05975	16.1
151.03906	27.4
151.07503	4.9
153.05475	12.6
154.05911	3.5
156.05728	18.0
157.04961	4.3
157.06473	8.0
159.08087	20.3
161.06015	4.1
163.03961	4.5
163.07506	9.4
164.07927	4.8
165.05481	49.5
165.28522	3.3
166.05898	3.3
167.07039	73.5
172.05199	5.5
174.06750	8.6
175.07497	14.4
177.05482	45.4
178.05838	4.5
181.05011	3.1
181.06459	3.9
187.07545	25.8
188.08015	3.4
189.07355	3.6
189.09116	14.2
190.07829	6.2
191.07027	7.4
191.14304	4.6
192.06496	3.3
193.04968	4.3
195.06529	24.8
195.08102	4.5
202.07805	4.3
203.08591	9.6
205.06618	3.9
205.08511	5.6
205.10184	3.7
206.07324	4.7
207.08170	4.4
208.10707	4.0
209.08081	9.3
209.11420	4.1
211.07494	4.5
212.43993	3.1
215.06818	4.2
215.08725	4.7
217.08594	53.3
218.07281	14.6
218.09149	4.4
219.08076	7.3
219.10091	4.4
221.09679	6.7
226.06152	4.3
231.08179	5.3
232.08910	4.1
233.09639	14.3
234.06769	10.5
235.07532	14.5
236.08226	3.2
239.07053	20.0
240.07478	4.3
241.08656	12.9
246.06738	9.0
247.07492	8.8
247.09702	17.1
248.08426	5.9
249.09088	18.1
250.09766	5.2
251.07083	7.6
252.07892	9.3
255.06601	3.6
257.08151	6.1
259.07489	4.4
260.08344	5.3
261.09113	27.8
262.06287	6.2
263.07031	16.3
264.07742	4.6
265.08667	4.4
266.09439	8.9
269.08099	11.4
271.06052	7.7
275.10638	5.7
277.08670	17.2
278.09265	21.1
279.10059	5.7
280.07401	3.7
281.11737	9.5
283.09552	3.3
285.07556	49.3
286.08279	6.3
289.08841	7.2
291.06760	4.2
291.10147	5.8
293.08380	5.9
293.11768	18.8
294.08893	5.2
295.09637	7.3
297.11069	4.3
300.09924	65.2
301.10571	22.5
306.08878	9.8
307.09579	9.4
308.06824	5.2
309.11145	23.5
310.11887	3.8
313.10718	9.7
321.11176	35.2
322.11850	7.1
323.09082	11.9
326.11505	11.8
338.11404	5.6
339.12070	8.9
341.13574	15.0
353.09848	4.6
353.13895	89.7
354.14185	7.9
371.15485	32.9
372.15396	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	371.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73660	2.9
53.03947	4.5
54.62014	3.2
69.03416	8.6
69.22901	31.8
69.23306	6.0
71.04999	3.3
79.05492	24.4
81.03406	8.3
81.07018	4.5
83.04958	3.3
85.02923	10.5
86.93140	3.2
87.93466	2.7
91.05486	19.2
93.07053	4.5
94.04161	7.6
95.04965	28.8
97.02888	6.8
103.05465	8.5
107.04941	74.2
109.02872	24.8
109.06513	9.2
111.04478	4.2
113.49607	3.2
115.05459	7.8
118.06539	3.8
119.04944	4.9
121.06493	8.9
122.03613	10.5
123.04413	13.9
125.02369	4.8
125.05912	3.8
127.03912	7.0
128.06215	9.3
129.07008	13.6
131.04916	6.5
131.08536	7.6
133.02855	5.5
134.73387	2.8
135.04416	13.6
135.05478	2.5
137.05974	100.0
137.95178	3.2
138.06259	3.5
139.03911	9.2
141.06972	7.2
144.05696	9.8
145.06479	5.0
147.04356	4.3
149.05949	9.8
151.03909	22.7
151.76678	3.3
153.05521	7.5
153.07045	2.8
156.05684	21.0
157.06488	11.2
159.08052	13.4
160.05212	3.1
161.06003	4.6
163.03915	10.6
165.05470	34.0
167.07030	62.9
169.06569	3.7
172.05190	4.2
173.05878	3.1
174.06818	9.4
175.07549	9.9
177.05463	23.3
179.07007	3.9
179.08543	3.8
184.05237	4.6
185.05978	4.5
186.06758	5.2
187.07521	26.7
187.69821	3.0
188.32628	2.9
189.09120	18.9
191.07024	5.6
192.07449	3.2
195.06516	15.0
196.55038	3.4
201.09149	4.5
202.06232	7.7
203.08643	7.3
205.08557	4.9
206.07388	4.2
207.08269	9.8
209.08087	10.8
210.06879	3.5
211.07474	4.1
215.08655	5.3
217.06543	3.5
217.08574	61.3
218.07248	11.0
219.08171	7.1
219.10175	6.9
221.09650	8.8
223.07581	3.6
226.06209	6.9
231.08066	7.3
232.08858	7.3
233.06033	3.7
233.09586	16.5
234.06760	8.9
235.07568	12.5
239.07050	12.9
241.08571	15.3
246.06786	4.1
247.07433	7.8
247.09718	27.1
248.08234	3.8
249.09129	20.4
250.06158	3.5
250.09761	6.6
251.07021	6.1
252.07794	4.2
260.08273	7.6
261.09106	26.2
262.06506	4.9
262.09781	4.8
263.07019	17.5
265.08841	4.1
266.09131	6.5
269.08136	9.3
271.05884	5.6
275.10678	4.5
277.08655	21.0
278.09290	20.2
279.09964	4.8
280.07364	5.5
280.10275	3.4
281.11722	7.7
285.07510	26.5
286.08191	4.2
289.08624	9.8
290.09464	5.4
291.10184	7.9
293.08557	5.9
293.11609	24.3
294.08835	7.1
295.09579	5.2
300.09897	30.6
301.10712	18.0
305.07867	4.1
306.08945	10.9
307.09641	9.3
309.11108	19.3
310.11636	3.7
311.09247	3.9
313.10892	6.8
321.11246	34.3
322.11795	4.6
323.09192	13.7
326.11530	11.7
338.11432	6.3
339.12051	5.7
341.13803	11.8
353.09805	4.9
353.13809	56.5
354.14212	5.3
371.14639	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	371.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	13.2
55.01865	12.1
55.06276	2.7
57.03425	9.2
57.07047	3.5
65.03942	4.1
67.05486	6.0
69.03429	46.0
70.06597	6.9
71.04997	14.6
71.50876	5.0
73.02936	7.0
73.04753	12.1
79.05495	21.9
80.05317	3.1
81.03424	27.2
81.07060	49.9
83.04974	3.4
84.04479	5.6
84.08130	5.8
85.02911	28.0
85.06524	6.9
86.03220	4.0
86.09685	5.0
91.05417	18.2
91.05800	30.8
93.07043	48.0
95.01353	3.4
95.04970	29.9
95.08598	10.4
95.54470	2.5
97.02903	24.0
99.04446	20.8
101.05968	3.4
103.05473	22.2
105.04498	4.2
105.07024	16.4
107.04951	36.5
109.02875	12.0
109.06521	29.2
111.04454	15.7
114.07366	4.8
115.05450	5.2
117.07031	5.0
119.04929	10.9
119.08572	22.2
121.02898	4.1
121.06499	60.5
123.04424	7.1
123.08072	4.8
125.02358	7.4
125.06020	4.9
127.03905	18.4
128.06245	5.1
131.04964	12.4
131.08540	6.2
133.06473	8.9
135.04431	8.8
135.08058	10.0
137.05975	27.2
139.03917	26.7
139.07562	9.7
141.01839	4.0
141.07059	4.1
145.05046	2.7
145.06436	4.3
147.04385	9.3
147.06430	6.1
149.05978	100.0
151.03909	14.9
151.07555	9.8
153.05476	7.6
153.09071	4.5
156.05772	4.8
159.04405	15.0
159.08047	7.5
160.37798	3.2
161.06001	8.3
163.07520	8.6
165.05461	15.7
167.03392	4.4
167.07051	34.2
171.08138	3.2
173.06035	5.2
174.03941	3.0
175.07603	5.7
177.05467	37.4
179.07069	3.8
181.06783	4.0
181.08595	71.6
183.08080	4.4
187.07555	9.6
189.05367	3.3
189.16751	3.0
191.07031	17.6
191.10696	3.1
191.14215	3.5
195.06508	35.9
199.07619	3.1
199.09612	7.2
209.04530	3.4
209.08086	17.3
215.06989	4.9
217.08595	15.4
219.08011	3.5
225.07465	4.2
227.09114	28.9
228.18372	3.1
231.06499	3.8
247.09741	5.2
249.09360	4.7
251.07018	4.0
261.09229	4.2
268.97818	9.3
277.08630	4.5
278.09479	3.3
285.00992	17.5
285.07559	11.4
293.10367	11.0
299.06296	4.8
300.09958	8.8
301.10812	3.7
303.02133	5.2
303.08643	3.5
305.10196	71.2
309.11093	7.5
311.09045	3.6
321.10956	5.7
324.99545	2.9
339.10724	15.1
341.13910	5.9
353.13919	15.4
355.06973	12.7
371.12042	6.9
371.16843	69.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1336
Annotation	sinapaldehyde glucoside
Peak:m/z	Relative Intensity
51.02380	2.4
53.03937	5.1
55.01870	2.3
57.03437	3.2
59.04999	2.8
67.05499	3.7
69.03423	16.5
70.13586	2.0
70.85057	5.6
71.01366	4.1
71.04977	4.3
72.04931	1.9
79.05498	25.4
81.03432	13.5
81.07054	4.6
83.04990	2.7
85.02902	17.0
91.05482	9.0
93.07043	7.9
95.04964	32.1
97.02865	6.6
99.04443	3.2
103.05455	10.1
105.03416	2.2
107.04954	100.0
109.02885	48.4
109.06528	5.9
111.04442	3.0
121.06522	15.0
123.04462	13.4
125.02390	11.3
125.05978	2.9
127.03919	10.3
131.04932	4.1
133.02859	3.3
133.06506	2.0
135.04420	15.7
137.05968	5.3
139.03902	23.5
139.07523	2.4
141.05469	3.3
149.05956	21.6
151.03906	28.9
153.05466	5.5
159.04387	4.2
165.05478	59.8
166.05768	1.8
167.07030	20.2
170.17923	2.2
177.05461	41.9
193.05066	2.8
195.06520	17.1
209.08104	25.9
227.09206	4.3
371.13351	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	370.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21548	2.8
53.03943	2.7
55.01862	5.7
57.03436	14.4
60.02148	43.0
61.02928	8.5
67.05496	2.5
69.03432	28.3
69.47847	18.2
71.01343	2.6
73.02922	16.1
79.05493	10.2
81.03394	11.3
85.02906	56.2
87.04465	5.7
88.79012	2.3
91.05479	34.8
92.06270	2.8
93.07018	4.0
95.04987	8.5
97.02886	21.0
98.21534	2.3
99.04469	4.5
103.05469	8.9
105.07037	19.8
107.04964	21.8
109.02893	13.9
109.06538	2.4
109.10209	2.2
115.05403	5.0
116.06206	4.6
117.07024	12.9
119.04973	6.7
119.08583	6.4
119.09373	2.6
120.05727	12.6
121.06502	46.3
122.03655	3.2
123.04470	5.9
127.03927	16.6
129.07021	7.2
131.04944	16.6
131.08557	9.5
132.05737	5.5
133.06491	11.2
134.07262	27.6
135.04439	11.3
135.08064	24.3
137.05994	30.9
139.03891	4.5
141.06985	3.3
144.05734	4.2
145.04958	13.8
146.07275	5.2
147.04482	4.6
147.08037	48.9
148.05194	27.8
148.08870	16.6
149.05983	8.9
149.09624	6.3
149.81483	2.3
151.03931	8.3
159.08063	18.5
160.08839	4.6
161.05954	7.4
161.09602	11.5
162.06754	4.6
163.07549	100.0
164.08336	25.2
165.05498	9.1
167.07072	6.5
172.78955	2.1
175.07581	4.1
176.08331	9.1
177.05489	12.0
177.09082	15.8
179.07025	2.2
181.08580	3.7
187.07565	3.3
189.09116	7.6
190.09874	49.4
191.07031	5.6
191.10612	7.1
201.09140	6.2
203.06946	2.3
205.08588	9.4
207.10190	43.6
208.10931	80.5
209.08144	2.9
209.11441	4.0
217.08614	5.9
219.10155	34.0
220.10664	2.8
231.10268	8.3
232.10425	2.7
236.10463	30.7
237.11249	8.7
249.11244	13.5
250.12187	3.7
253.98189	3.0
329.48630	2.6
342.46362	3.0
370.16138	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	370.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.6
55.01881	0.5
56.92570	0.4
57.03434	1.6
57.07080	8.6
64.35064	0.4
65.03950	0.6
67.05497	1.3
69.03429	4.4
69.76389	1.6
69.76800	0.8
71.01347	0.4
75.37024	0.4
79.05489	1.1
80.05022	1.6
81.03419	5.0
83.04983	1.0
84.08128	0.9
85.02908	20.0
85.06552	6.4
87.04474	0.4
91.05462	0.8
92.04969	0.5
93.03400	0.4
94.06529	0.4
95.04967	1.4
96.04501	1.4
96.05279	0.4
97.02905	3.8
99.04451	1.1
105.03399	0.9
106.06577	0.9
107.04949	2.3
109.02901	3.1
111.04436	1.5
117.05758	0.9
118.06543	1.9
120.11892	0.4
123.04436	0.9
124.03955	100.0
124.42804	0.4
125.04259	0.9
127.03902	2.8
129.05470	0.8
131.03419	1.1
133.02873	2.0
135.04408	1.7
136.04770	1.2
139.03883	1.4
144.04431	2.2
145.04926	1.0
146.05995	5.7
148.85733	0.4
151.03896	1.1
154.80357	0.4
157.04950	0.7
161.02333	1.8
162.05472	1.9
164.07077	1.3
166.08650	0.8
167.07018	0.6
172.03905	0.8
176.07069	3.0
178.08658	10.5
179.03403	7.0
190.05066	0.6
190.08638	0.4
194.26866	0.4
196.09727	3.5
197.09721	0.5
201.96529	0.4
204.06653	1.1
222.07593	0.9
229.10703	4.6
238.10701	1.6
238.58817	0.5
246.07639	0.5
247.11996	0.6
274.07108	0.6
292.08118	1.6
296.11462	2.3
306.09747	0.6
308.11246	1.9
326.12387	3.2
334.09198	0.6
338.12241	0.6
352.10233	6.8
352.14151	0.6
370.11304	14.5
370.15054	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	7.4
55.01865	9.2
55.05275	3.7
55.05517	53.8
57.03437	22.1
57.07053	4.7
57.63493	2.3
61.64769	3.0
65.03947	4.7
67.05505	94.6
69.03416	5.4
69.07072	34.3
71.04978	8.4
71.08627	33.6
71.51585	2.9
76.96847	2.6
79.05494	58.3
81.03421	15.4
81.07056	100.0
83.04980	18.2
83.08618	35.7
85.02897	4.6
85.06541	7.3
91.05480	54.5
92.05781	3.2
93.06490	4.5
93.07047	68.9
93.55016	2.8
95.04973	26.6
95.08607	50.9
97.06540	15.0
97.10153	16.2
99.08095	26.1
103.05493	3.2
105.07020	38.0
107.04961	7.0
107.08588	43.5
109.06515	6.3
109.10164	26.9
111.04459	4.0
111.08073	11.3
113.09627	3.8
115.05415	2.9
117.07012	16.6
119.08575	28.3
121.10146	22.6
121.22383	2.5
123.08105	4.7
123.11707	5.8
125.09615	17.3
128.06189	3.6
129.07018	9.7
131.08568	19.1
133.02890	3.9
133.06505	2.8
133.10139	30.3
134.10413	3.0
135.08049	6.2
135.11688	18.2
137.09634	6.6
139.11140	4.3
141.06973	3.5
143.08495	6.0
145.10104	10.4
147.11687	22.8
149.09665	4.0
149.13243	23.1
151.11182	43.9
157.06400	2.8
157.10106	7.2
159.11656	13.2
161.02368	6.4
161.13281	16.4
163.03879	3.4
163.11212	11.0
165.12767	12.4
171.11656	4.5
173.02272	6.1
173.11765	12.2
173.13118	4.6
175.03870	3.2
175.11171	6.6
175.14804	3.9
176.11972	14.0
177.12737	9.6
179.14282	11.6
185.13246	3.7
187.03908	29.1
189.11212	17.0
189.12656	4.2
191.00179	4.3
193.12230	3.9
195.13832	10.7
199.03873	8.7
201.05392	5.2
207.13766	4.1
213.05484	13.9
225.05489	6.4
227.12781	11.4
231.21063	4.2
239.06981	3.6
245.13902	6.5
246.33904	2.9
249.22154	4.8
253.17929	6.8
259.20590	8.4
259.34918	2.7
269.17450	38.8
277.21588	53.3
295.22726	4.0
319.13049	3.8
337.10669	3.9
337.14340	14.3
351.25519	26.2
369.26813	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	369.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	8.4
55.01862	7.8
55.05510	50.6
57.03426	11.3
57.07063	8.6
65.03921	6.7
67.05501	97.4
69.03407	6.0
69.07066	28.3
71.08619	39.7
71.52006	13.9
71.52370	6.0
75.52188	5.7
79.05486	61.7
81.03416	5.8
81.06580	11.4
81.07047	100.0
83.04974	20.6
83.08617	26.3
85.06532	8.3
91.05472	48.0
93.07040	67.7
95.04964	21.0
95.08604	45.5
97.06531	16.8
97.10162	16.0
99.08088	25.6
105.07030	47.0
107.04910	6.5
107.08580	42.3
109.06487	7.4
109.10155	41.5
111.08052	10.9
117.07024	16.0
119.08554	23.2
121.06483	11.0
121.10155	23.0
123.08072	8.5
125.09584	17.2
127.90417	5.6
129.07051	11.6
131.08542	25.6
133.10112	22.6
135.11662	30.4
137.09671	9.7
143.08531	14.2
145.10144	25.4
147.11676	14.9
149.13235	19.4
151.07631	6.6
151.11198	42.4
157.10066	15.5
161.13263	12.7
163.11076	13.0
165.12685	7.2
171.11615	12.4
173.11769	16.2
177.12711	8.5
179.14275	29.4
189.11255	13.8
189.12816	7.9
196.63670	6.2
227.12791	14.5
241.19556	7.4
259.20526	16.2
269.17520	8.3
277.21658	67.3
351.25473	33.9
369.24362	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.2
55.01868	3.3
55.05272	1.7
55.05511	21.7
57.03435	17.7
57.07078	12.7
67.05499	40.4
68.05818	1.5
69.03407	2.3
69.07067	23.4
70.06628	1.2
71.04998	7.2
71.08629	3.4
71.51302	1.1
75.35394	1.3
79.05491	21.6
81.03406	7.3
81.07056	43.4
83.04978	9.8
83.08624	9.2
85.02894	4.8
85.06538	3.5
85.10181	26.4
91.04919	1.3
91.05479	22.8
93.07045	23.1
95.04971	12.8
95.08602	22.7
97.06516	4.8
97.10163	5.2
98.69331	1.2
99.04444	1.5
99.08083	3.8
105.07030	23.1
107.04929	5.6
107.08592	18.3
109.06509	4.6
109.10154	32.8
111.08072	2.5
113.06039	1.7
113.09644	31.6
116.69897	1.2
117.06999	2.8
119.08599	9.3
121.06504	1.4
121.10123	10.1
123.08056	4.7
123.11684	4.3
125.09620	3.8
129.06996	4.4
131.04878	1.2
131.08540	9.3
133.06493	1.3
133.10135	18.5
134.10330	1.6
135.11700	2.8
137.09587	2.5
142.07814	1.9
143.08557	3.3
145.10089	4.3
147.08061	1.8
147.11682	7.6
149.09621	7.4
149.13232	2.1
151.07474	1.3
151.11157	9.0
159.11739	2.1
161.02322	2.2
161.13249	3.5
163.11186	4.1
165.12752	33.5
165.14148	1.9
165.19817	1.2
169.12222	6.6
171.11667	2.0
175.03845	1.7
175.11197	1.9
177.05460	1.8
179.14333	3.6
181.12181	1.4
187.03928	6.1
189.11209	2.2
191.14139	1.4
193.12201	1.3
195.13812	1.4
207.13762	3.9
213.05449	2.7
249.22188	1.6
259.20511	4.5
277.21619	66.2
278.21930	3.9
295.22675	100.0
296.23032	3.8
337.14304	2.0
351.25211	2.0
369.16962	2.6
369.26602	16.8
370.26108	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	369.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	39.9
57.07071	25.0
67.05502	87.5
68.48206	10.2
69.07053	28.4
71.04984	11.0
71.08647	57.2
71.52187	10.8
71.52673	11.9
79.05491	64.2
81.03377	16.5
81.07056	75.5
83.04942	15.3
91.05463	47.0
93.07047	69.1
93.67970	11.6
95.04954	22.1
95.08624	62.4
97.06524	11.9
97.70061	10.1
99.08092	27.8
99.20895	11.7
105.07030	44.3
107.08591	42.1
109.10157	30.2
119.08550	44.0
120.03851	11.4
121.10094	27.4
125.09575	22.1
131.08554	21.0
133.10117	30.2
135.11687	47.3
145.10085	28.4
147.11557	20.8
149.02370	12.6
149.13239	14.6
151.11153	25.0
161.13199	23.8
163.11302	12.8
169.10213	12.3
171.11772	16.6
175.03860	13.2
177.12634	14.4
179.14331	100.0
184.07333	18.2
189.11188	16.0
189.12689	15.5
193.04939	28.1
195.13783	10.6
253.18155	12.2
277.21677	68.9
351.25601	64.0
369.24277	48.7
369.28638	30.4
369.78833	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	369.2422
Annotation	5-Methyl-3-farnesyl-3-hydroxycoumarane
Peak:m/z	Relative Intensity
55.01875	13.1
55.05516	32.7
55.05726	5.8
57.03441	15.8
57.07066	19.4
67.05505	61.0
69.03419	11.7
69.07066	25.1
69.42961	43.4
71.04993	23.7
71.08619	8.3
79.05491	42.3
81.03446	10.4
81.07050	58.3
83.04981	12.9
83.08611	15.5
85.02891	5.7
85.06541	25.2
85.21439	5.7
91.05463	39.8
93.07030	40.4
95.04964	91.3
95.08610	33.8
97.06506	17.2
97.10205	6.4
99.04431	9.4
99.08097	12.5
103.05482	9.9
105.07030	56.3
107.04922	5.4
107.08580	50.8
109.06521	21.7
109.10164	32.6
111.08064	10.3
113.09670	7.1
113.26425	5.7
116.06171	7.4
117.07027	17.0
119.08591	58.9
121.06506	10.1
121.10149	36.2
123.08070	22.1
123.11722	14.9
125.09623	7.9
128.06195	15.4
129.07008	12.6
131.08560	46.6
133.06587	5.5
133.10126	44.9
135.08043	30.2
135.11690	9.9
137.06003	8.0
137.09636	19.4
142.07780	11.6
143.08572	32.2
145.10120	43.7
147.08044	21.8
147.11702	24.8
149.09622	21.4
149.13274	8.7
151.07492	6.1
151.11159	9.0
155.08554	16.0
156.09325	11.7
157.10129	51.3
158.10782	5.9
159.08049	10.1
159.11687	27.8
161.09604	42.1
161.13271	14.1
163.11194	11.7
165.07042	10.1
165.12778	12.1
167.08549	11.1
169.10129	23.3
170.11009	6.5
171.11697	36.9
173.09630	19.7
173.13275	16.4
175.04074	8.2
175.11221	7.6
177.12794	6.0
179.08655	7.6
180.09253	5.8
181.10181	10.3
183.11708	28.2
184.12387	6.8
185.09738	10.1
185.13290	26.8
187.11238	18.6
187.14952	7.4
189.12737	16.7
193.10086	7.4
194.10973	7.5
195.11742	15.4
196.12416	6.5
197.13225	21.9
199.11182	12.9
199.14828	6.9
201.12813	11.4
203.14307	15.7
206.10840	7.1
207.11702	14.6
207.13783	7.9
209.13249	21.6
211.07498	6.8
211.11009	8.1
211.14862	10.7
213.12793	11.1
215.14404	12.4
221.13304	7.8
221.15337	13.5
223.14859	11.5
225.16399	13.9
235.14813	11.3
239.14304	6.1
249.16528	8.4
251.18042	10.6
253.15840	7.7
265.16293	7.1
265.19443	7.3
267.17453	10.4
269.19232	14.9
275.18015	18.1
277.21606	18.5
293.19003	18.8
295.22641	7.7
307.09650	8.1
309.22183	9.4
311.19980	13.7
327.23022	7.2
333.22141	10.0
337.10645	15.6
351.12219	10.8
351.19504	8.4
351.23013	37.8
369.13159	26.8
369.24042	100.0
370.24417	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	369.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.6
55.01860	1.8
55.05502	4.3
57.03426	4.2
57.07076	1.7
59.04980	1.8
61.02914	3.3
67.05493	6.0
69.03426	16.2
69.07067	1.5
69.24944	14.6
71.04978	2.7
73.02896	2.4
73.32190	1.3
78.43768	1.1
79.05483	5.2
81.03410	5.6
81.07049	5.8
83.04993	9.4
84.08142	4.2
85.02900	25.5
85.08459	1.3
89.03922	6.4
91.05486	6.1
93.07041	6.3
95.04958	3.9
95.08607	10.8
97.02876	9.7
99.04477	2.2
103.05444	2.4
105.07040	16.1
106.06575	1.2
107.04928	3.9
107.08584	11.4
109.02880	5.7
109.06523	3.8
109.10141	2.6
111.04430	2.7
115.05468	1.9
117.03379	15.4
117.07005	2.5
117.35585	1.2
118.03672	1.5
119.08581	19.3
119.09368	2.0
121.06491	3.9
121.10130	10.5
123.04442	2.0
123.08064	5.9
124.33374	1.6
127.03897	5.7
129.06993	2.1
131.08562	4.4
133.05161	1.3
133.06459	3.7
133.10118	23.3
135.04396	2.9
135.08047	8.3
135.11708	1.8
137.05981	2.5
137.09613	9.0
138.36729	1.7
143.08528	2.9
145.02843	42.4
145.04924	3.7
145.10101	6.7
146.06039	1.7
147.08044	6.4
147.11717	9.0
149.05969	8.3
149.09624	27.3
149.13222	2.0
150.44948	1.6
151.11176	33.0
156.09335	6.1
159.08037	12.2
160.08795	2.6
161.09601	6.4
161.13234	12.7
163.03932	1.4
163.11188	19.0
163.14908	2.5
171.11688	9.0
173.09682	2.4
173.13231	1.9
174.10391	38.6
177.05469	82.1
178.05864	3.8
180.34862	1.5
187.11096	1.8
189.12735	100.0
190.13104	3.9
191.14282	24.1
196.12445	1.5
207.13788	50.1
208.14075	2.1
238.10657	2.0
241.33148	1.4
296.11188	2.3
352.10300	2.0
369.14780	2.4
369.19110	8.7
370.11169	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	369.1334
Annotation	10-Demethoxystegane
Peak:m/z	Relative Intensity
53.03935	4.0
57.02126	2.0
65.03940	13.2
67.05501	4.9
69.03408	3.2
70.06597	2.3
70.33913	1.7
71.51346	2.8
79.05489	3.3
80.05024	2.0
80.22852	2.0
81.03388	2.7
82.04234	2.5
85.02912	21.5
85.44819	1.8
86.03241	4.3
91.05476	8.7
95.04969	9.5
96.08127	2.4
103.05427	2.5
104.72450	2.0
105.07023	2.1
106.06599	2.7
107.04955	4.8
110.03658	6.1
111.04441	7.2
115.05482	3.5
117.07030	3.4
117.12932	1.9
118.06500	3.0
119.02095	2.2
119.04987	2.0
119.06837	3.8
119.08570	6.2
123.04439	8.7
124.07602	4.2
125.05984	3.9
128.06241	5.4
129.06995	4.2
131.04919	3.2
132.05692	4.6
134.09657	4.1
135.04384	2.5
137.05986	13.8
140.04710	3.2
141.07004	3.8
143.08566	5.0
145.06444	2.3
146.06058	2.7
147.04449	2.8
147.06319	4.9
147.08035	4.7
151.07619	2.2
153.05486	15.3
156.05676	4.9
156.99802	1.9
159.08047	6.5
160.05168	3.1
161.05986	3.6
162.09184	1.9
163.03922	5.4
163.07634	1.9
165.05482	3.9
165.09157	2.0
166.63461	2.2
167.07005	5.4
168.04369	2.2
169.05179	2.0
169.06494	12.0
171.07997	3.1
172.05161	3.0
175.07545	28.1
178.08620	6.9
179.07135	2.2
179.08974	12.1
180.10239	3.1
183.06558	14.3
184.05228	8.7
185.05914	6.2
186.06717	2.8
187.07494	4.7
189.07016	4.4
190.07794	2.7
191.08530	3.7
195.08078	2.5
199.07553	100.0
199.09402	4.9
200.08118	4.7
202.07796	4.6
203.08479	2.6
205.06580	4.8
206.07286	3.6
207.06488	7.1
207.08147	6.2
208.08919	2.0
216.07863	6.8
218.07329	6.5
219.08055	13.7
220.08879	5.7
221.05975	6.2
221.09552	3.3
229.08618	3.3
231.08083	3.0
233.06003	5.0
234.06709	8.1
235.07570	13.8
236.08286	13.0
237.09264	6.2
246.06772	3.6
247.07637	10.7
248.08353	5.1
249.05400	3.7
249.09241	6.1
250.06326	2.4
250.09984	2.0
251.06937	3.1
251.10667	18.7
253.08502	2.5
261.09152	3.6
262.06174	5.5
263.07062	10.9
264.07800	16.4
265.08627	9.0
266.09259	3.0
276.07794	5.5
277.05615	2.3
277.08514	12.8
278.09381	6.0
279.10077	12.7
281.08002	6.7
281.11313	2.3
283.09763	2.2
287.06918	2.4
290.05655	2.6
291.06830	3.1
291.10083	4.2
292.07404	3.2
293.08057	7.1
294.08716	4.1
295.09729	5.4
305.08032	8.5
306.08853	3.3
307.09576	32.5
308.10535	7.0
309.11459	22.4
311.12704	41.1
315.08682	4.4
319.09631	3.4
321.11151	4.0
323.09082	2.5
324.09933	7.5
326.11395	3.5
337.10764	13.5
338.12048	8.6
339.08411	3.2
339.12271	48.2
340.12601	2.7
341.13583	2.8
351.12286	9.4
369.13379	37.3
370.14056	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1332
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02348	2.5
55.01841	3.9
65.03929	14.3
67.05501	4.2
69.03442	2.7
69.31510	13.3
69.31927	8.8
75.40908	2.4
79.05492	3.2
82.04198	3.9
91.05486	6.7
93.03372	5.7
95.04949	7.3
98.20773	5.3
104.46001	2.7
105.07025	4.1
107.04935	3.8
108.02103	2.6
109.74177	2.5
110.03649	8.7
111.04427	11.2
115.05434	2.9
119.08591	4.0
123.04402	5.2
125.05956	11.2
128.06204	9.3
129.06984	4.3
132.05711	3.1
137.05956	7.0
140.04573	2.5
141.06993	3.2
145.06439	4.4
147.04398	2.8
147.08015	7.0
153.05469	35.3
156.05664	3.3
157.10135	2.8
159.08064	6.1
160.05223	3.8
161.05934	5.3
163.03903	2.8
167.07074	6.7
169.06462	8.2
171.04475	3.3
175.07526	25.1
178.07759	5.5
183.06517	12.6
183.15736	2.8
184.05188	10.4
185.06003	9.8
186.06729	3.9
187.07463	5.8
189.06992	7.0
190.07732	5.1
191.08543	3.5
195.08034	2.9
199.07533	100.0
200.08121	4.8
201.05428	3.2
202.07722	2.6
203.08560	4.3
205.06494	7.1
206.07327	4.7
207.06470	6.9
207.08096	6.2
208.05202	4.0
208.08841	3.8
211.07487	3.0
215.06833	3.5
216.07843	14.4
218.07220	9.6
219.08028	19.1
220.08871	14.3
221.05992	8.7
221.09430	4.0
223.07529	4.8
229.08548	6.0
231.08046	5.6
233.09444	3.6
234.06725	9.1
235.07483	18.0
236.08316	17.1
237.09116	6.7
246.06694	6.7
247.07474	12.1
248.08287	6.0
249.05476	4.1
249.09032	10.1
250.06216	6.2
250.09875	2.9
251.07011	6.2
251.10683	25.3
253.08528	2.5
262.06265	4.6
263.07025	11.4
264.07794	27.2
265.08655	15.1
266.05505	2.7
266.09167	3.4
267.10083	3.6
275.07086	3.8
276.07782	6.1
277.08472	13.0
278.09375	5.0
279.06839	3.7
279.10074	10.0
280.07309	2.8
281.08014	11.3
291.10196	6.1
292.07251	3.0
293.08090	9.4
294.08850	7.2
295.09705	4.7
305.08090	5.5
306.09021	2.7
307.09659	40.6
308.10281	7.4
309.07767	4.4
309.11029	13.4
311.09268	4.1
311.12756	40.2
315.08484	3.7
319.09796	7.1
322.08185	3.5
323.09042	3.3
324.09900	11.4
337.10715	24.7
338.11377	2.7
339.12259	73.9
340.12546	4.1
351.12234	7.7
369.13364	28.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.118
Annotation	5-O-Feruloylquinic acid
Peak:m/z	Relative Intensity
53.03944	2.0
55.01874	0.7
55.05512	0.9
62.59509	0.4
65.03933	0.9
66.64085	0.3
67.05509	3.9
69.03419	3.0
69.07071	0.5
69.59643	2.6
71.01337	0.5
73.02903	0.5
74.63398	0.3
77.03915	0.5
79.05073	0.6
79.05495	7.5
81.03420	0.8
81.07045	0.8
83.01319	0.8
83.04979	4.3
85.02897	1.6
86.09694	0.4
89.03902	0.5
89.36304	0.3
91.05489	2.0
93.03394	1.1
93.07023	1.7
95.04971	17.7
97.02898	4.2
97.06536	1.2
103.05457	1.4
105.07039	1.0
107.04959	7.6
109.02898	2.2
109.06523	1.4
111.04450	6.2
117.03323	0.4
117.06999	0.4
119.04938	0.6
119.08611	0.5
121.02869	0.4
121.06496	1.6
123.04436	4.7
125.02348	3.3
125.05993	1.9
129.05486	3.0
131.04927	1.0
133.02863	0.4
135.04414	100.0
136.04735	2.2
137.05981	3.6
139.03899	2.6
147.04413	1.0
147.06406	0.4
149.06000	3.8
151.03911	4.1
153.05473	7.7
157.04962	2.2
163.03888	1.1
167.03439	0.7
167.07047	0.6
171.06499	0.6
175.06110	0.7
177.05469	17.2
177.90846	0.3
178.05945	0.5
179.07101	1.0
195.06525	11.7
207.13937	0.4
208.10995	0.5
217.07091	2.7
232.86922	0.4
295.10034	0.6
299.07614	1.3
300.27573	0.4
309.11197	0.4
337.10522	0.6
351.10690	3.1
369.11646	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	369.1333
Annotation	10-Demethoxystegane
Peak:m/z	Relative Intensity
55.01903	1.0
57.03447	0.5
66.45601	0.5
67.05540	0.5
70.05389	2.1
75.69424	0.6
79.05488	2.6
85.02940	0.6
91.05508	1.0
95.05005	0.8
103.05465	3.9
105.07042	0.6
107.04931	2.6
108.34142	0.6
115.05470	0.7
119.04956	0.5
128.06230	0.7
131.04915	3.0
132.82466	0.5
133.06465	1.1
137.00325	0.5
137.05984	2.7
141.07112	0.8
145.06512	0.9
146.06055	0.7
147.04424	0.8
151.03902	0.8
157.06566	0.8
158.07219	0.5
159.08078	0.8
161.06035	1.8
162.44897	0.5
165.06949	2.8
166.07800	1.0
167.07060	0.8
167.08582	0.7
168.05792	0.6
169.06548	1.0
175.07608	1.6
177.05525	0.6
178.07634	3.3
179.08534	2.4
181.06544	2.1
183.06569	0.7
185.06044	1.1
189.06995	2.6
190.07874	2.2
191.08569	3.8
192.09337	0.7
193.06441	0.6
194.07259	5.4
195.08109	2.7
197.06001	0.9
199.07533	4.8
202.07774	3.8
203.08562	3.2
204.09264	0.8
205.06511	4.3
206.07292	2.7
207.08070	4.8
208.08841	1.3
209.06145	0.7
209.09653	1.8
210.06778	1.0
211.07584	1.1
215.08664	1.0
217.06502	0.9
218.07201	4.1
219.08035	8.1
220.05202	0.9
220.08827	4.2
221.05991	2.5
221.09662	2.3
222.06729	5.5
223.07547	3.4
224.08179	0.6
225.09042	0.6
230.07307	1.5
231.08043	6.4
232.08844	2.0
233.06033	2.8
233.09691	1.0
234.06749	2.8
235.07564	7.3
236.08218	2.9
237.05519	0.8
237.09029	5.0
238.06267	2.5
238.09990	1.5
239.06995	1.1
245.09598	1.3
246.06769	1.3
247.07559	6.2
248.08302	6.6
249.05528	1.2
249.09094	5.2
250.06184	3.5
250.09901	1.7
251.06967	4.8
251.10704	2.0
252.07785	3.0
252.11072	0.5
253.08592	1.2
258.06693	1.2
259.07672	1.5
260.08371	0.9
261.05994	0.9
261.09146	4.0
262.06256	1.1
262.09912	1.4
263.07074	3.7
263.10715	2.1
264.07813	2.8
265.08582	14.2
266.05939	1.2
266.09329	3.6
267.06519	0.6
267.10062	1.3
274.09860	0.6
275.07019	1.4
276.07849	2.5
277.08594	3.1
278.06039	1.2
278.09433	2.1
279.06580	3.3
279.10193	4.6
280.07138	0.8
280.10791	1.0
281.08279	1.0
281.11588	1.0
282.09033	0.7
289.04962	1.0
289.08395	0.8
290.09341	0.7
291.06860	0.4
291.10144	12.4
292.07108	0.9
292.10571	0.7
293.08130	6.3
294.08853	5.9
295.09692	2.8
305.07980	1.1
307.09692	6.1
308.10358	3.0
309.11160	11.9
310.11627	0.7
311.09232	1.2
311.12762	4.2
319.09671	6.6
322.08167	2.8
323.09122	2.4
326.14120	0.7
337.10681	100.0
338.11258	8.2
339.12256	4.8
369.13281	29.5
370.13077	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	369.1181
Annotation	5-O-Feruloylquinic acid
Peak:m/z	Relative Intensity
53.03939	2.1
55.01869	0.9
55.05495	1.0
57.03436	0.9
57.07072	1.0
58.74668	0.4
61.02907	0.4
65.03928	0.9
67.05193	0.4
67.05499	3.2
69.03430	4.4
70.06591	0.6
70.18339	1.1
70.18742	0.8
70.67937	0.4
73.02914	0.9
73.82825	0.4
77.03932	0.8
78.82018	0.4
79.05495	7.2
81.03403	1.4
81.07038	1.1
83.01315	0.8
83.04977	4.6
84.08147	7.3
85.02901	5.7
85.06544	1.2
86.09699	0.6
91.05489	2.1
93.03400	1.5
93.07055	1.2
95.04968	19.5
97.02886	5.0
97.06516	1.4
103.05461	1.7
105.04515	0.7
105.07027	1.1
107.04958	9.3
109.02880	3.5
109.06505	1.1
110.07139	0.5
111.04438	5.1
118.06570	0.6
118.45782	0.4
119.04940	0.7
119.08522	0.6
121.02882	1.0
121.06512	1.5
123.00845	0.5
123.04425	5.6
124.03947	7.9
125.02341	3.8
125.05994	1.9
127.03920	1.1
129.05489	2.1
130.08617	1.0
131.04898	1.1
135.04416	100.0
136.04745	2.3
137.05959	1.7
139.03860	2.0
145.02824	0.6
146.06000	2.0
147.04404	0.4
147.06491	0.8
149.05997	2.7
151.03926	3.6
151.07521	0.4
153.05473	7.9
157.04985	1.6
159.04439	0.5
161.05978	1.2
164.07190	0.5
165.05487	0.9
171.06561	1.0
175.03888	0.6
175.05974	0.5
176.06862	0.4
177.05473	12.4
177.07086	0.6
178.08643	3.5
179.07072	0.5
195.06538	10.9
196.06898	0.5
196.09660	2.6
207.06494	0.6
207.13895	0.6
213.07523	0.7
217.07018	2.9
229.10706	0.6
247.07974	0.4
249.09082	0.5
277.05087	0.4
277.08279	0.6
291.10074	0.6
297.09750	0.7
299.07642	1.7
308.11111	0.7
309.11063	0.9
317.92975	0.5
325.17584	2.7
326.12073	1.0
337.10596	0.5
351.10831	3.4
352.10352	1.6
369.11771	10.1
369.19165	0.7
370.11307	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	368.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	5.5
54.43572	2.4
55.01864	8.5
55.05510	28.0
56.74140	2.3
57.03417	8.1
57.07056	3.9
58.06594	41.8
60.04522	47.2
62.12712	2.3
67.05505	37.5
68.05020	22.2
68.05844	2.5
69.03416	5.5
69.07067	32.9
70.06593	3.5
71.04976	7.7
71.08614	3.8
71.51598	3.3
79.05486	36.5
81.03395	7.1
81.07046	40.7
82.06561	7.9
83.04968	7.8
83.08611	8.4
84.08133	10.7
85.06536	4.2
86.09705	29.4
88.07630	5.1
91.05474	29.3
93.07037	27.5
95.04963	8.5
95.08609	17.8
96.08125	100.0
97.06529	29.6
97.08348	2.8
97.08901	7.8
97.10149	5.3
98.09729	2.7
99.08080	4.6
100.07603	16.0
105.03335	2.1
105.07033	20.6
107.04933	5.6
107.08585	17.9
108.08927	2.7
109.06501	8.7
109.10139	10.3
111.08054	7.7
112.07583	6.2
114.09154	28.2
115.07516	3.6
117.07001	9.7
119.08588	19.4
120.08087	2.6
121.06474	6.7
121.10141	10.9
122.09727	3.1
123.08053	5.8
125.09657	4.2
128.10692	21.3
129.07031	4.2
131.04955	2.8
131.08557	13.0
133.06525	2.5
133.10114	8.4
134.09641	2.8
135.08041	16.9
135.11684	6.8
137.05989	2.9
137.09589	7.0
138.09131	9.4
141.06961	2.5
143.08536	4.9
145.10117	11.1
147.08064	6.3
147.11629	4.1
148.11131	2.5
149.09622	5.0
151.11208	3.2
156.10191	67.4
157.10280	2.3
159.11700	5.3
161.09581	5.1
163.03870	2.4
163.11198	4.6
165.07013	2.0
165.08919	2.5
169.16246	2.2
171.11656	3.6
173.13301	2.7
175.11230	3.0
177.12708	3.6
189.11249	2.8
199.03899	2.7
199.11101	2.6
221.09827	2.5
223.13286	2.5
225.05547	3.0
245.18919	5.7
248.08243	4.2
255.17421	5.1
263.19971	4.1
265.08505	4.1
272.20377	3.2
273.18478	57.5
273.21307	4.6
274.18826	3.7
290.21146	18.0
291.19498	29.7
308.22110	14.9
319.09723	3.3
324.20166	2.6
332.22220	3.6
336.09384	6.3
337.10654	8.7
337.14212	2.8
350.23303	11.7
368.12085	3.4
368.20197	1.7
368.24286	49.6
369.13303	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	368.243
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29737	0.6
52.80155	0.8
52.84414	0.8
53.03938	2.2
55.01869	2.4
55.05514	22.1
56.05033	0.8
57.03430	2.2
57.07071	1.8
58.06606	6.5
59.04987	1.0
60.04220	1.3
60.04527	20.8
64.88172	0.7
65.03930	1.5
67.05507	16.3
68.05005	0.9
69.03420	3.2
69.07071	13.6
70.06587	2.7
70.63233	1.0
70.63573	1.3
71.04983	8.7
72.04507	1.2
74.06062	0.7
74.10844	0.7
79.05493	15.8
80.05007	1.6
81.03416	2.3
81.07057	17.8
82.06570	1.3
83.04976	2.4
83.08617	10.8
84.08140	8.0
85.06548	3.1
86.09706	33.8
88.07629	3.7
91.05476	8.0
93.05795	1.3
93.07048	14.2
94.06570	2.7
95.04964	7.4
95.08603	6.4
96.08119	3.0
97.06538	2.7
97.10175	18.0
99.08104	1.0
100.07637	2.8
105.07040	6.7
106.06567	1.4
107.04983	3.9
107.07390	0.8
107.08587	9.2
108.08100	1.8
108.51447	0.7
109.06509	4.5
109.10155	3.4
110.06052	3.4
110.09687	0.8
111.08104	2.3
112.07603	28.8
113.06009	2.9
114.09177	1.3
117.07008	3.5
119.08578	4.4
120.08171	0.9
121.06529	1.6
121.08854	0.8
121.10136	10.0
121.10941	1.0
122.09652	8.4
123.04457	0.8
123.08040	3.6
124.07581	2.0
125.09637	13.2
126.09162	1.6
128.10719	29.2
129.07004	1.6
130.08641	2.4
131.08539	4.8
132.08054	1.1
133.10110	2.3
134.09653	1.2
135.08026	4.0
135.11702	2.5
136.11186	1.3
137.05972	1.3
138.12814	4.2
141.07037	1.0
143.08521	1.3
145.06465	1.3
145.10114	2.9
146.09636	0.8
147.08052	1.4
147.11736	1.4
148.11215	2.6
149.13297	1.3
153.09099	1.0
154.08633	10.4
154.12236	0.8
156.10225	0.9
157.10182	1.6
159.08115	1.1
159.11697	2.4
161.09624	1.2
163.11188	0.9
166.98869	0.7
169.10072	1.6
172.09720	10.6
172.13293	1.0
177.12787	1.2
180.13817	17.9
187.11166	2.1
189.11237	10.7
189.12814	1.4
195.13792	1.8
196.13354	0.9
198.14955	0.9
205.12314	0.9
217.15848	1.6
221.15378	2.3
222.14963	1.7
223.13266	4.7
228.19244	0.7
241.14194	1.0
257.04404	0.8
272.20251	1.9
273.18558	4.0
276.07626	0.8
277.08630	1.3
288.19818	1.0
290.21176	9.1
291.19534	9.3
292.19965	0.8
308.22198	13.3
332.22308	1.7
337.10687	1.8
350.23260	21.1
368.24326	100.0
369.13315	1.7
369.24664	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	368.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	0.7
55.01871	0.7
56.96534	0.9
57.03421	0.6
61.02917	1.9
69.03419	2.7
70.42997	2.1
73.02921	0.9
81.03430	1.4
81.07039	0.7
84.08137	0.7
85.02908	8.7
89.03918	1.6
97.02885	2.7
98.97582	1.3
109.02921	0.8
111.04437	0.8
118.06558	0.6
123.50047	0.5
127.03915	1.9
132.04456	7.3
135.04424	1.4
145.02837	1.0
145.04935	2.0
146.06000	1.4
146.99606	0.7
147.06357	1.3
161.01178	0.9
163.03897	7.5
169.65123	0.6
177.00755	0.6
178.05000	63.6
188.07088	2.3
189.07320	2.8
190.28282	0.6
205.09784	1.1
206.04491	100.0
207.04802	1.4
217.69376	0.6
231.08389	1.0
237.02861	1.3
261.02771	0.7
279.04025	0.7
347.46463	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.7
57.03432	3.5
63.36423	0.6
67.34118	0.7
69.07046	1.1
69.40968	1.0
69.41376	4.1
71.01352	1.4
73.02911	1.4
79.58781	0.5
80.05007	4.1
85.02900	50.5
91.05454	0.7
95.04948	0.9
97.02846	0.8
98.21533	0.8
103.03957	1.5
103.05436	1.5
104.04996	1.0
106.06557	1.8
107.07313	1.1
113.02331	0.8
118.06548	2.0
120.08086	2.4
122.06032	1.7
130.06499	0.9
131.03404	5.0
132.04475	3.0
134.06010	3.9
137.05969	0.9
146.05986	2.6
150.05487	0.7
160.07602	0.7
162.05531	0.9
164.07054	69.9
165.07504	2.1
166.08595	2.4
176.07077	0.7
178.08694	3.8
190.08754	0.7
194.08142	3.3
196.09706	2.0
197.10130	0.7
208.05008	1.0
216.06689	0.7
218.08147	3.6
230.04489	1.4
246.07672	2.9
247.07584	0.7
248.09198	3.7
248.12849	1.1
250.10539	0.7
262.07162	7.7
269.08127	0.8
276.12375	0.7
277.08646	1.0
278.10245	1.7
290.09766	0.9
294.09695	100.0
295.10010	3.5
308.11237	3.9
308.14911	16.7
315.08679	2.0
318.09662	0.6
320.11514	0.9
322.18329	2.2
326.12424	2.0
327.12344	0.7
338.11255	0.9
350.12567	1.5
351.12454	0.8
353.10434	0.7
368.13330	15.1
368.18887	8.2
369.14166	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	367.263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.1
55.05511	28.1
57.07056	12.1
61.46563	2.7
62.14134	2.9
67.05500	47.3
69.03422	6.7
69.07066	27.2
69.45852	23.4
71.04989	8.4
74.91534	2.8
78.03232	2.8
79.05492	33.7
81.06592	5.5
81.07048	60.5
83.04959	7.1
83.08595	6.8
85.06546	7.2
91.05476	61.5
91.56360	2.8
93.07040	80.1
95.04967	40.4
95.08605	67.5
97.06519	15.6
105.07025	96.8
105.07702	5.6
107.08582	66.3
109.06521	16.3
109.10147	42.5
111.08089	5.4
115.05453	5.6
116.06248	4.8
117.06996	19.1
119.08569	100.0
121.06502	10.4
121.10136	44.9
123.08068	5.6
123.11697	14.0
128.06224	13.9
129.06963	19.7
130.07774	8.6
131.08557	63.1
133.10130	69.6
135.08060	16.8
135.11678	20.3
137.09647	5.4
141.06996	5.9
142.07776	23.9
143.08568	38.1
144.09329	8.8
145.06480	3.5
145.10121	64.8
146.07211	3.9
147.08037	11.6
147.11700	23.5
149.09659	15.4
149.13208	4.9
153.06892	3.2
155.08525	16.1
156.09360	18.3
157.10120	68.0
158.10893	6.2
159.08052	7.1
159.11671	47.3
161.09619	47.7
161.13264	9.5
163.11153	6.1
163.14883	3.7
165.07031	4.4
166.07785	4.4
167.08597	7.9
168.09351	7.3
169.10117	23.1
170.10870	8.5
171.07967	3.3
171.11664	20.9
173.09648	6.9
173.13269	31.0
175.03925	4.4
175.11189	7.3
175.14839	22.9
179.08569	10.0
181.10257	6.4
182.10852	4.6
183.11679	21.9
184.12454	4.0
185.09651	3.6
185.13268	13.0
187.14835	15.9
189.12756	2.8
193.10048	5.5
194.10872	9.2
195.11699	13.3
196.12445	6.3
197.13222	18.6
199.11148	4.9
199.14842	12.2
200.15416	2.8
201.12700	7.8
201.16415	6.4
207.11743	4.0
209.13235	23.5
210.13963	3.4
211.14818	11.2
213.12816	4.5
213.16377	3.9
221.13193	3.9
223.14890	4.6
225.12776	3.2
227.14317	22.6
237.16394	3.3
239.17941	7.7
241.08562	3.6
251.17863	3.6
253.19498	4.0
255.17473	6.7
257.19025	6.7
261.16388	4.2
265.19647	4.9
267.17679	4.1
269.18985	4.5
271.20526	3.7
331.24194	3.5
340.93112	2.8
349.25189	9.0
367.26242	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	367.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31421	8.6
55.05500	35.4
57.07062	12.4
60.21641	8.4
63.92300	10.1
64.08005	9.4
64.18473	9.7
66.87816	10.7
67.05499	84.5
68.99780	9.9
69.03407	11.9
69.07053	41.5
71.52146	12.5
71.52534	10.1
79.05486	36.0
79.93794	8.6
81.07047	85.0
83.04952	17.6
83.08611	18.3
85.06509	18.7
86.13759	9.7
91.05466	64.8
93.07054	83.8
95.04964	44.1
95.08604	82.7
97.06569	10.8
97.10119	10.4
105.07014	91.0
107.08601	56.7
109.06480	12.5
109.10159	56.0
111.08059	9.8
117.06992	32.0
117.69279	9.7
119.08579	100.0
121.10143	54.8
123.08055	10.3
123.11680	15.8
129.06981	22.4
131.08582	64.4
131.74806	11.1
133.10135	73.5
135.07997	13.8
135.11676	26.4
137.09547	10.9
142.07814	14.3
143.08534	32.9
145.10141	51.6
147.11653	36.7
149.09564	13.8
157.10112	40.8
159.11693	32.6
161.09604	45.1
167.08583	15.3
169.10205	9.7
171.11694	29.9
173.13220	21.8
175.11157	12.8
175.14835	15.2
183.11729	27.0
185.13210	20.6
187.14719	15.5
195.11644	17.6
197.13231	19.6
199.14848	12.2
209.13277	15.8
227.14392	15.9
275.19913	23.7
372.00354	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58243	1.5
52.91130	1.4
53.03942	7.7
53.83669	1.7
55.01870	22.9
55.05508	37.8
57.03434	21.8
57.07066	9.3
65.03931	6.0
67.05502	100.0
68.05815	2.2
69.03426	7.3
69.07064	24.3
70.58184	5.0
71.04980	8.5
71.08620	12.1
75.00017	2.1
75.32243	1.5
79.05489	56.7
81.03421	17.3
81.07049	89.0
82.07362	1.8
83.04977	18.3
83.08614	20.9
84.12020	1.5
85.02901	3.1
85.06538	10.1
85.10178	3.5
91.05476	74.4
93.07037	51.7
95.04967	24.8
95.08601	44.7
95.09184	3.3
97.06522	10.2
97.10172	5.2
99.04453	4.3
99.08084	10.4
105.07025	61.9
106.07404	1.7
107.04944	16.8
107.08595	53.1
109.06497	11.5
109.10155	56.9
111.04442	4.1
111.08082	6.8
113.05969	2.8
113.09679	3.1
117.06982	9.4
119.08580	21.2
121.06493	8.3
121.10114	12.9
123.04385	2.4
123.08059	12.8
123.11687	14.9
125.09631	13.8
127.07558	3.4
128.06250	2.1
129.07011	5.1
131.08537	16.7
133.06464	2.8
133.10120	89.5
134.10487	3.1
135.08029	3.5
135.11696	14.4
137.09612	15.6
138.44214	1.8
143.08548	3.9
145.10141	14.9
147.08031	2.1
147.11662	8.9
149.09584	8.2
149.13261	5.1
151.11168	48.4
159.11732	7.8
160.86613	1.6
161.09674	3.1
161.13266	4.2
163.11177	13.8
163.14830	2.9
165.09113	4.3
165.12704	4.1
169.12234	10.1
171.11717	1.8
173.09705	2.3
173.13292	5.2
175.03917	4.6
175.11163	2.4
177.12759	7.5
179.10617	1.8
183.10223	2.0
183.11644	2.1
189.11238	2.7
189.12784	2.6
193.12218	2.6
195.13860	3.9
197.13339	2.4
201.12732	2.0
209.11731	2.5
215.12753	3.2
229.19466	3.5
239.17900	2.2
247.20616	6.6
253.14445	6.2
257.19122	2.3
275.20041	38.2
276.20425	2.2
293.21060	12.6
293.96490	1.8
296.29681	1.8
349.23703	6.6
367.24863	39.5
368.25208	2.0
376.38773	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.7
55.01868	11.1
55.05509	58.1
56.74158	5.2
57.03424	19.1
57.07068	24.2
60.64265	3.7
62.60062	4.2
67.05503	60.6
67.21358	4.1
69.03424	8.5
69.07052	25.9
71.04984	4.5
71.08629	80.4
71.50416	8.0
73.06503	4.4
79.05486	57.0
81.03413	16.9
81.07055	66.5
83.04990	9.9
83.08626	22.2
85.06528	7.5
89.06026	60.9
91.05473	26.3
93.07044	43.4
95.04979	21.3
95.08605	32.7
97.06525	7.9
97.10156	26.8
99.08085	35.1
105.07010	25.2
106.06542	5.3
107.04909	5.6
107.08579	37.6
109.06489	10.1
109.10160	18.8
117.07004	10.9
119.08585	14.8
120.08142	5.9
121.06483	8.6
121.10157	12.0
123.08060	5.9
123.11775	8.3
125.09618	26.8
131.00017	13.7
131.08568	14.0
133.08594	23.0
133.10121	21.2
135.08026	10.7
135.11681	6.9
137.09657	6.1
139.11156	5.2
140.98466	4.3
143.00049	8.6
145.10121	10.3
147.11707	8.4
149.09532	5.4
149.13258	4.5
151.11165	10.1
159.11687	8.7
163.11122	5.2
165.12762	5.2
166.12085	4.8
171.11807	5.2
174.99051	19.3
175.03882	14.7
175.11090	4.1
177.11235	7.1
177.12717	6.4
185.01080	12.4
185.70305	4.7
189.00517	27.1
189.11211	17.7
195.13724	5.0
201.18352	6.6
203.02087	17.7
208.13358	16.7
212.02072	5.2
217.03693	10.2
220.25922	5.0
229.08662	7.1
239.14873	10.3
241.07402	10.1
270.07562	5.8
275.19992	35.2
276.20505	5.1
289.72092	4.7
293.21127	100.0
294.21512	5.9
297.06332	16.3
313.80383	4.4
351.27417	13.6
367.15063	6.0
367.24814	34.3
368.24478	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	367.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.7
55.01868	4.5
55.05513	12.6
57.03440	4.5
57.07067	2.5
65.03931	1.7
65.27589	0.7
67.05502	22.8
69.03404	1.8
69.07066	15.4
71.04982	2.2
71.08617	2.7
71.50369	1.3
72.51233	0.9
75.04472	1.0
76.20280	0.8
79.05489	22.6
81.03419	1.8
81.06593	1.8
81.07053	27.4
83.04985	7.6
83.08622	5.9
85.06530	2.1
85.81179	0.7
91.05474	21.1
93.07044	26.8
95.04964	6.6
95.08604	16.9
97.06546	5.3
97.10172	2.7
97.12235	0.9
99.08104	2.5
99.20220	1.0
105.07030	25.1
107.04957	6.3
107.08594	15.4
109.06521	10.3
109.10134	5.6
111.08089	1.8
116.98416	1.0
117.07000	7.8
119.08587	13.4
119.79476	0.8
121.06503	10.5
121.10126	8.8
123.08063	6.4
123.11703	1.9
125.09589	1.6
129.06981	2.1
130.99992	1.3
131.04933	1.0
131.08566	19.0
133.06505	2.3
133.10132	17.8
135.08054	5.5
135.11682	5.4
137.09641	2.5
137.13249	1.5
139.11244	1.4
141.06987	1.2
143.08568	2.6
145.06500	1.9
145.10120	12.0
147.08116	2.5
147.11659	11.3
149.09627	6.1
149.13249	3.6
151.11211	6.2
155.08562	1.4
157.10146	3.2
159.08008	1.9
159.11679	9.4
161.09657	3.8
161.13258	3.4
163.11212	7.5
165.12811	1.6
169.10135	2.7
171.11714	2.5
173.09644	2.2
173.13258	3.9
174.98970	1.3
175.03873	2.4
175.11156	2.8
176.70766	1.0
177.12807	2.4
183.11671	1.4
187.03923	1.3
187.11162	1.9
187.14830	2.5
189.00545	1.8
189.12816	2.0
191.14310	2.2
197.13245	2.0
199.14778	0.9
200.04594	0.9
201.12775	3.0
203.02156	1.7
205.19513	0.9
207.13780	2.4
215.17978	1.5
219.13870	2.7
229.19543	2.9
233.18933	1.4
239.17990	2.8
247.20540	5.1
257.18988	15.3
269.06821	0.9
269.17538	1.6
275.20056	100.0
276.20389	5.4
293.17728	1.5
293.21036	12.2
305.27429	0.9
309.60895	0.9
349.23737	31.5
350.24136	1.5
367.15854	0.8
367.17380	0.8
367.24863	21.8
368.24902	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	367.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03887	1.2
55.01796	4.3
55.05436	19.7
55.05735	3.2
57.03360	6.9
57.07016	1.0
59.04948	1.1
65.03876	1.1
67.05421	17.1
67.05808	1.3
69.03342	2.6
69.03703	0.9
69.06983	20.5
69.07404	1.8
70.20061	2.5
71.04925	1.2
71.08546	27.4
71.08978	2.3
72.08894	0.6
79.05403	14.7
79.05912	1.3
81.03413	3.2
81.06969	15.9
81.07479	0.9
81.08541	0.6
81.42675	0.6
83.04891	3.9
83.08611	8.0
85.06480	1.2
91.05469	6.8
93.07040	12.9
93.07571	0.7
95.04967	4.2
95.08601	8.0
97.06425	2.0
97.10165	10.0
98.20800	0.7
99.08087	22.2
99.08679	1.0
105.07034	4.7
107.04971	2.7
107.08593	10.0
108.05685	0.6
109.06422	2.5
109.10151	6.0
111.08026	1.3
111.11602	1.5
117.06921	2.5
119.08573	3.1
121.06486	3.0
121.10143	3.7
123.07944	1.8
123.11598	1.6
125.09623	6.9
129.06905	0.9
131.08603	2.7
133.10126	3.3
135.07951	1.9
135.11603	1.9
139.11096	2.6
142.07767	0.8
143.08530	0.8
144.01913	0.5
145.10027	2.2
147.11636	1.3
149.09535	1.2
149.13219	3.0
151.11072	1.5
159.07985	0.6
159.11592	2.0
161.09525	1.1
163.11092	1.4
165.12659	1.7
167.10678	4.7
171.10240	0.6
173.11768	0.6
173.13191	0.8
175.03868	1.0
177.12665	2.3
179.10570	1.2
181.10013	0.6
187.11194	0.7
189.11214	5.2
195.13763	1.6
195.47385	0.6
205.12141	0.6
247.09641	0.7
247.20496	1.6
251.37308	0.6
257.18881	0.8
265.21542	1.0
275.20053	8.2
276.20157	0.6
293.21085	100.0
294.21384	5.1
315.98706	0.6
349.22961	0.7
367.24811	27.5
368.25043	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.6
55.01866	4.2
55.05511	21.8
57.03434	10.1
57.07072	2.3
59.05012	1.2
60.51199	1.2
67.05180	2.1
67.05508	23.2
69.03426	3.8
69.07068	17.9
71.04981	2.0
71.08633	41.0
71.51137	1.4
78.21561	1.2
79.05489	15.9
81.03425	9.7
81.07056	19.8
81.97785	1.3
83.04977	3.8
83.08623	9.3
85.06561	2.6
87.65543	1.1
91.05476	9.6
93.07049	12.9
95.04966	5.7
95.08611	9.8
97.06546	2.8
97.10168	10.5
98.97517	1.2
99.08095	35.1
105.07010	6.0
107.04948	3.5
107.08600	13.3
109.06503	2.6
109.10178	8.5
111.08082	3.4
114.54071	1.2
117.07056	3.3
119.08571	4.4
121.06503	4.0
121.10160	5.6
123.08111	1.3
123.11758	2.2
125.09624	9.4
131.08565	4.3
133.10146	6.8
135.08093	2.5
135.11703	2.9
137.12878	1.3
139.11206	2.7
143.08562	2.1
145.10115	3.4
147.11699	2.7
149.13274	4.1
151.11171	4.1
153.09090	1.3
157.10181	1.7
159.11702	3.4
164.04616	1.4
165.12735	2.1
167.10693	4.4
175.03925	3.7
177.12808	3.4
189.11232	6.9
193.12241	2.1
195.13780	3.0
205.19400	1.9
247.20526	1.8
273.10150	1.4
275.20068	14.3
293.21106	100.0
294.21436	6.3
350.26727	1.4
367.20563	2.7
367.24829	29.0
368.25116	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.1
55.01628	2.1
55.01872	13.9
55.05278	2.4
55.05513	35.9
57.03441	17.2
60.97989	2.1
64.97047	2.3
65.03928	3.0
67.05503	57.8
69.03427	14.0
69.07066	36.9
70.91376	3.1
70.91721	6.0
71.04977	5.8
71.08633	23.2
79.05492	50.2
79.31457	2.3
81.02694	2.6
81.03405	8.0
81.07055	100.0
82.23134	2.5
83.04965	11.0
83.08632	16.1
85.06538	4.6
91.05482	36.7
93.07045	36.1
95.04967	13.9
95.08607	31.3
97.06532	13.3
97.10159	9.1
99.08100	22.2
105.07034	42.1
106.02521	2.4
107.04951	10.5
107.08592	29.7
109.06527	12.8
109.10162	20.4
111.08085	3.0
116.98435	2.8
117.07005	11.5
119.08578	30.0
121.06516	6.0
121.10150	18.4
123.08036	6.8
123.11683	7.9
125.06091	2.9
125.09621	9.3
129.06956	3.4
131.08554	17.5
133.10115	21.6
135.08032	6.6
135.11685	15.1
137.09583	6.8
139.11142	3.8
140.98387	3.8
141.06952	2.9
145.10172	11.8
147.11705	17.2
149.09592	9.3
149.13226	9.2
151.11166	7.4
155.08588	5.0
157.10123	5.8
159.04489	2.7
159.11673	10.5
159.55835	2.8
161.09520	2.6
161.13184	3.6
163.11166	5.5
165.12764	4.9
167.10684	4.2
173.11708	2.8
173.13243	2.7
174.99008	3.2
175.03873	4.6
177.12755	4.6
182.28258	2.6
183.11722	3.4
187.03929	2.9
195.13850	3.3
229.08659	4.2
229.19572	2.9
247.20551	6.1
252.60524	2.4
257.19064	4.8
269.17386	6.4
273.44534	2.4
275.20059	42.4
293.21097	79.3
309.20660	3.3
335.09329	3.2
349.13116	4.3
349.23581	10.1
367.24884	45.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.6
55.01872	17.4
55.05282	2.4
55.05514	37.4
56.96555	2.5
57.03437	20.1
57.07060	3.9
59.05003	2.1
61.29870	2.2
62.19817	2.2
65.03937	4.2
66.94416	1.9
67.05505	68.1
69.03407	7.2
69.07068	33.0
71.05000	6.3
71.08611	7.9
71.51657	2.9
76.59834	2.4
76.61278	2.2
79.05495	48.9
81.03431	11.3
81.07056	100.0
83.04987	12.5
83.08620	19.1
85.06522	5.2
91.05479	47.3
93.07044	45.4
95.04491	1.9
95.04994	18.5
95.08611	39.1
97.02944	2.3
97.06550	19.6
97.10159	10.4
99.08089	12.2
103.05397	3.1
105.07030	51.2
107.04980	14.5
107.08596	34.8
108.09030	2.0
109.06528	12.4
109.10158	34.1
111.04398	2.8
111.08076	8.3
115.62165	2.6
117.06990	10.1
119.08591	35.9
121.06496	7.2
121.10143	24.2
123.08048	9.3
123.11669	9.3
125.09654	11.8
129.07048	5.0
131.08582	17.6
133.10146	27.6
135.08058	7.2
135.11711	14.3
137.09608	9.3
141.07034	3.6
143.08548	4.9
145.10158	20.1
147.11646	22.5
149.09639	15.7
149.13243	9.9
151.11160	8.3
153.12787	2.8
154.12221	3.0
157.10088	4.1
159.11685	15.4
161.09509	2.7
161.13242	5.3
163.11139	13.8
165.12773	6.7
169.10100	3.5
171.10217	4.0
171.11667	3.9
173.13240	9.2
175.03883	6.4
175.11165	3.4
177.12721	5.7
181.06358	2.2
183.11697	2.3
187.11348	2.8
187.14870	3.3
189.11275	4.8
195.13916	3.2
199.03897	2.4
229.19519	5.7
239.17880	5.3
247.20663	7.5
257.19034	6.5
261.08914	3.1
275.20059	57.8
276.20441	4.7
293.21127	25.2
297.05331	2.8
335.09036	8.5
349.23813	18.1
367.15356	3.3
367.25082	33.0
368.24374	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	367.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.3
55.01871	4.1
55.05513	17.8
57.03441	13.3
57.07067	4.7
59.04995	2.1
65.03918	2.4
66.56639	1.4
67.05506	39.5
69.03426	3.8
69.07065	21.6
69.76324	8.4
70.00589	1.4
71.04992	3.5
71.08644	7.0
71.22690	1.5
75.36957	1.4
79.05492	26.5
79.05931	2.6
81.03413	3.9
81.07057	36.1
83.04993	7.6
83.08637	9.8
85.06551	3.5
91.05481	27.3
93.06485	2.5
93.07045	33.9
95.04972	11.4
95.08606	23.7
97.06543	5.5
97.10173	2.6
98.98478	1.6
99.04469	2.7
99.08098	5.1
105.07039	29.9
107.04958	12.1
107.08583	22.4
109.06520	11.8
109.10152	12.9
111.08091	3.1
115.05476	1.4
116.98486	4.0
117.07030	9.2
119.08591	13.8
121.06499	8.6
121.10145	14.4
122.10553	1.7
123.04476	2.0
123.08051	8.6
123.11691	4.6
125.09595	2.4
128.98508	1.5
129.07028	4.4
129.99269	1.4
130.07826	1.4
131.00037	6.5
131.05049	1.4
131.08571	18.8
133.06512	3.2
133.10129	21.9
134.10484	1.7
134.99492	2.1
135.08072	5.4
135.11697	5.5
137.09554	2.7
138.26602	1.4
140.98482	11.9
143.00040	5.0
143.08595	3.1
145.06488	1.9
145.10124	11.9
147.08081	4.1
147.11702	10.7
147.51144	1.5
149.01129	2.6
149.09595	7.2
149.13284	4.5
151.11154	11.8
153.99321	3.0
154.99997	3.5
155.08548	3.5
157.01599	1.7
157.10127	3.7
158.99513	2.7
159.08040	2.3
159.11740	7.9
161.01054	2.2
161.09624	5.5
161.13271	3.1
163.11177	8.4
164.99644	1.7
165.12799	3.5
167.03970	1.3
167.10678	2.5
169.10123	2.8
173.09593	5.0
173.11935	1.4
173.13298	5.6
174.99016	9.8
175.03894	4.8
175.11220	3.1
177.12762	5.8
179.96951	1.5
183.11664	2.0
183.13795	2.6
185.01115	3.1
185.13205	1.5
187.03989	2.4
187.11148	1.7
189.00603	9.0
191.14188	2.0
193.12039	1.5
195.03136	1.7
195.13718	1.6
197.01047	1.6
199.02632	2.3
201.12776	2.2
203.02057	1.9
207.13890	2.1
211.02652	1.4
212.01988	1.4
215.17856	2.6
219.13733	1.7
229.03745	5.1
229.19618	2.4
239.18076	3.2
247.09625	2.5
247.20529	4.3
257.19034	13.9
269.17538	1.8
275.20056	100.0
276.20551	4.4
287.16379	1.5
293.21109	17.0
307.82678	1.6
349.23798	34.6
367.14395	2.8
367.25113	21.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1177
Annotation	Vitrofolal C
Peak:m/z	Relative Intensity
51.02384	0.4
53.00306	0.4
53.03933	0.8
53.60355	0.4
55.01863	1.4
56.95035	0.4
61.20357	0.4
67.05483	0.6
71.51102	0.7
79.05495	2.0
81.03389	1.1
81.07055	0.7
81.64063	0.4
83.01347	0.6
85.02900	0.4
91.05484	3.0
93.07055	0.4
95.04963	1.7
95.40471	0.4
103.05471	1.4
103.57554	0.4
105.03396	0.6
105.07027	1.1
107.04955	1.6
109.06515	0.9
115.05458	2.5
117.07011	0.8
118.04170	3.0
119.04958	0.7
121.02850	0.9
121.06483	0.7
128.06232	1.0
129.03365	13.0
129.07005	1.7
131.04921	1.0
133.02840	1.5
133.06528	0.7
135.04416	1.9
136.06189	0.7
137.05898	1.7
141.06932	1.3
143.04897	0.5
144.05769	0.5
145.06491	0.8
146.03632	1.2
151.03937	0.5
152.06175	2.4
153.03348	0.5
153.07016	2.8
154.07762	0.6
155.04929	0.9
155.08521	1.2
157.02795	0.5
157.06487	1.5
159.04424	1.3
161.05986	3.2
165.05505	2.4
165.07002	5.6
166.07732	1.9
167.07147	0.8
167.08559	2.2
168.05708	0.5
169.06509	1.0
169.10059	0.5
171.04422	0.6
172.05327	0.6
173.05980	0.8
175.03937	1.0
175.07576	0.8
177.05544	0.4
177.07014	0.7
178.07767	3.3
179.08553	3.4
180.09369	1.0
181.06480	2.7
181.08711	0.4
181.10057	2.2
182.07301	1.0
183.04393	0.4
183.08052	1.3
185.05983	1.3
187.03816	0.5
189.05472	100.0
189.06834	4.3
190.05812	3.0
190.07773	5.5
191.08542	3.6
192.09309	0.7
193.06497	0.9
193.10112	1.0
194.07291	1.7
195.08066	1.9
195.11659	0.7
197.05974	1.0
197.09631	0.4
199.07512	0.8
201.05467	0.6
202.06161	1.3
202.07825	3.2
203.06926	0.6
203.08568	3.0
204.09329	1.4
205.06499	1.0
205.10121	4.6
206.07237	0.8
206.10500	0.4
207.08038	2.5
207.11758	0.5
208.05151	0.4
208.08817	1.4
209.05989	3.2
209.09647	1.7
210.06755	0.7
211.07573	1.6
212.04700	0.6
213.05408	3.5
215.06631	1.7
215.08739	4.3
216.09248	1.0
217.10150	1.1
218.07301	3.5
219.08006	2.8
220.08708	0.5
221.05986	1.1
221.09642	0.9
222.06752	0.5
223.07492	0.9
223.11220	1.3
225.05489	0.9
227.07094	1.5
229.04939	1.0
231.08072	1.4
232.08791	1.1
233.09621	5.8
234.06830	0.9
234.09950	0.4
235.07533	2.4
235.11031	0.6
236.08240	0.9
237.05492	1.9
237.09122	4.7
238.06200	0.5
238.09499	0.5
239.07036	3.0
240.07556	0.7
241.08499	0.9
243.08221	2.0
244.08888	0.5
245.09692	1.2
246.06799	1.0
247.07559	1.4
249.05495	0.6
249.09111	1.1
250.06230	0.4
251.07071	1.3
251.10715	3.0
253.04742	0.7
253.08679	1.6
255.06520	8.1
256.07037	0.6
259.07800	0.5
260.08273	1.1
261.09109	6.7
262.09763	0.8
263.07010	2.4
263.10709	0.7
264.07660	1.1
265.05487	0.9
265.08591	11.2
266.08929	0.8
267.06531	1.0
267.10333	0.7
269.08167	2.4
271.07477	0.9
273.09018	0.8
275.07117	0.7
277.08563	1.0
278.09421	0.9
279.06931	0.6
279.10144	6.7
280.07352	0.7
281.04742	0.4
281.08075	1.0
283.06073	0.7
285.07596	0.4
289.08575	5.8
290.09238	0.8
291.06683	0.5
291.10187	1.0
292.07098	0.5
293.08533	0.7
293.11713	1.2
295.09729	1.6
297.07590	2.2
297.11237	3.0
298.08344	10.3
299.08792	0.7
303.10092	0.5
305.08148	0.8
307.09613	7.9
307.13058	0.7
308.10046	0.5
317.08142	2.9
321.11191	3.1
322.11356	0.4
335.09097	8.6
336.09607	0.6
339.12274	2.8
349.06805	0.7
349.10727	7.3
349.14700	0.7
350.11063	0.6
355.57776	0.4
367.11765	29.7
368.12170	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1174
Annotation	Candidusin C
Peak:m/z	Relative Intensity
55.01861	2.7
67.05502	0.6
70.48453	1.7
77.83514	0.4
79.05531	0.5
79.51508	0.4
81.07066	0.5
88.32232	0.4
91.05488	0.8
94.54738	0.4
95.04946	0.7
95.52118	0.5
103.05498	0.6
105.07129	0.5
107.04948	1.0
115.05473	0.6
121.02838	0.6
131.04932	1.4
133.02823	0.8
161.06023	0.5
165.06958	3.2
167.07018	0.5
176.06181	0.6
177.05637	0.5
177.07062	0.7
178.07747	4.7
179.08549	2.0
181.06508	0.9
186.10907	0.4
187.07480	0.5
189.05397	0.9
189.06949	5.6
190.07747	4.8
191.08531	4.3
192.09250	0.5
193.06444	2.2
194.07283	1.8
195.08006	1.0
202.07726	5.0
203.08585	2.3
204.05762	0.6
205.06476	5.0
206.07269	3.2
207.08023	6.0
208.08842	2.3
215.08601	0.6
217.06497	1.2
218.07239	18.4
218.09309	1.0
219.08031	7.9
220.05156	0.7
220.08757	2.6
221.05968	5.2
221.09581	1.6
222.06630	0.7
229.06575	0.7
231.08051	3.4
232.08783	0.8
233.05908	1.6
233.09645	1.8
234.06731	6.8
235.07477	7.6
236.08250	5.5
237.09047	1.3
245.06000	1.3
246.06697	7.8
246.75056	0.5
247.07530	7.0
248.08276	6.2
249.05457	2.9
249.09048	2.9
250.06166	1.1
250.09892	0.8
251.06900	0.6
251.10739	1.0
258.06738	0.7
259.07446	0.8
261.05563	0.7
261.09082	15.7
262.06363	1.2
262.09579	1.6
263.06955	3.9
264.07782	13.9
264.10617	0.7
265.08484	3.9
268.07507	0.7
273.05246	0.6
274.06241	2.4
275.06998	2.5
276.07797	2.4
277.08560	6.2
278.09329	6.9
279.10028	3.0
281.08005	1.1
289.05331	0.9
289.08554	13.7
290.09119	1.2
291.06589	1.9
291.09882	0.6
292.07291	10.1
293.08026	6.4
303.06400	0.9
305.08133	3.0
306.08771	1.9
307.09607	14.1
308.10303	3.1
309.07565	1.0
317.08041	7.3
318.08710	0.6
320.06735	2.0
321.07373	1.2
324.09711	0.5
335.09091	100.0
336.09595	9.2
367.11688	16.0
367.15396	0.9
368.12036	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1002
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59237	1.7
56.96314	3.5
56.96569	56.3
57.03429	3.9
60.09730	2.1
61.02910	4.0
64.81266	1.9
69.03417	7.7
69.46870	15.3
73.02901	4.8
73.08810	2.1
74.55965	1.9
81.03422	4.7
84.08123	2.3
84.96027	6.2
85.02921	17.9
85.06528	3.9
87.04471	3.9
97.02893	11.8
98.20800	3.8
98.97585	92.0
99.04449	2.4
100.99140	20.7
101.00888	4.4
103.00607	3.4
110.97569	17.6
112.99111	17.1
115.00713	1.7
115.02412	2.2
115.03949	3.0
116.98624	40.2
119.00183	9.1
119.01936	10.7
121.01659	5.1
122.07201	1.8
127.00687	3.3
127.03897	6.1
128.98615	24.7
131.00179	30.3
131.01857	5.5
131.05559	2.7
133.01685	6.4
133.03459	5.7
133.05280	6.3
134.99689	13.1
135.03252	4.3
137.05969	4.9
143.00163	4.3
145.01714	19.8
145.03444	5.9
145.04892	2.9
145.99907	2.2
146.99646	13.5
147.03201	2.5
147.05052	2.6
149.01202	25.5
151.06352	11.4
153.00778	3.2
155.01915	3.4
157.01636	6.5
157.03508	3.4
158.99643	16.0
159.03078	2.7
159.05139	2.3
161.01201	9.9
161.02937	4.8
161.06581	2.1
162.99139	2.0
163.02791	55.8
163.04044	2.0
163.06345	5.3
165.00662	3.3
167.02303	3.7
169.05211	2.3
170.99638	8.5
171.05013	3.9
173.01271	5.1
173.02933	6.2
175.02736	7.4
175.04529	3.4
175.06372	7.5
177.00769	17.4
179.02193	6.7
180.21368	2.0
181.03821	26.8
183.04970	3.1
187.02753	12.2
187.06396	6.9
189.00693	8.9
189.02182	2.2
189.06078	3.3
191.02306	11.3
193.03769	3.0
195.01700	3.2
195.05025	3.5
199.04645	2.8
199.06390	3.1
201.07820	2.3
205.03830	27.8
205.07324	13.7
209.03275	2.7
216.08047	2.0
217.03813	5.7
217.07390	13.4
219.01810	40.2
219.05176	7.4
221.05000	6.0
223.04884	35.8
229.07310	4.1
237.02815	80.9
237.06291	4.5
241.03741	4.7
241.05904	5.7
245.05089	6.3
247.04938	9.0
249.06439	3.5
255.03893	7.4
255.07036	2.0
259.04620	2.9
260.04526	3.9
261.02826	3.6
265.02377	2.6
265.05750	2.6
277.09668	3.4
279.04010	3.5
279.09204	4.9
281.05414	5.8
289.09570	2.6
295.06891	3.0
298.33020	2.1
303.11078	1.9
305.10648	3.4
306.10947	2.1
307.06940	88.9
307.10657	72.9
308.07043	2.9
308.10764	2.3
313.67303	2.0
321.10205	2.3
325.08099	80.5
325.11646	6.9
348.09622	6.0
349.07880	2.8
353.05325	2.6
367.09253	100.0
368.09741	4.1
385.09879	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.3
55.05500	0.9
57.03443	2.7
57.12346	0.9
61.89131	0.8
67.05501	2.6
69.03432	3.5
69.07072	1.3
69.67214	0.9
70.06599	2.2
70.91149	2.7
71.04977	1.3
72.08154	1.6
78.04710	1.1
79.05499	2.8
81.03411	2.8
81.07072	1.8
84.08151	1.2
85.02892	5.4
85.84658	0.9
86.09726	1.3
91.05476	3.3
92.04912	1.0
93.29944	1.1
95.01326	25.2
95.04988	2.4
97.02918	2.6
103.05476	5.2
105.07025	8.3
107.04971	2.4
113.02353	12.5
115.05486	5.9
117.07029	4.4
118.04159	1.5
119.08598	1.4
120.08092	3.4
121.06475	2.0
123.04440	1.5
128.06197	6.0
129.06999	3.3
129.21564	1.0
130.04169	2.1
131.04906	11.3
131.08589	1.7
133.06496	9.2
135.04385	1.4
136.06195	1.3
137.05995	1.3
138.09143	1.9
140.72322	1.0
141.06992	3.8
143.04918	1.8
143.08549	2.7
144.05751	2.3
145.06485	6.1
146.03709	1.3
147.04398	3.0
148.05197	3.5
149.06004	2.5
151.03903	1.7
152.06210	1.7
153.07016	3.2
155.05998	2.7
156.05711	2.9
157.06506	4.6
159.04413	1.9
159.07961	1.0
160.05103	1.2
161.05978	10.3
163.07570	2.0
163.54572	1.1
165.05544	1.5
167.04919	1.3
167.07033	18.9
169.06468	3.2
170.07335	1.3
171.08034	9.1
172.05179	2.7
173.06006	6.3
175.03929	2.5
175.07518	2.6
176.04692	5.3
177.05455	4.9
181.05060	1.3
181.06383	5.3
181.08708	2.3
184.05232	4.6
185.05978	2.7
187.03960	2.7
187.07552	3.3
189.05542	2.2
190.06212	2.7
191.07007	7.9
192.07819	2.1
193.05096	1.2
193.08597	17.7
194.05769	4.2
195.06471	2.5
197.06071	2.0
198.06778	2.1
199.07541	11.4
199.68849	1.3
200.04710	1.2
201.05498	3.6
203.07004	1.4
205.08620	4.9
207.06546	3.8
209.08124	10.1
212.04681	3.1
213.05510	2.2
215.07027	2.5
216.07765	1.2
217.05019	1.8
217.08492	2.2
219.06505	4.2
221.08092	2.5
226.06213	1.6
227.07001	15.9
229.05046	1.9
231.06638	2.6
231.10185	4.5
233.07967	8.0
239.09077	1.2
241.05138	1.1
244.07347	2.6
245.04469	1.7
245.08102	2.3
247.09769	2.2
249.07562	2.7
251.09015	2.2
259.09525	7.5
261.07605	5.6
272.06683	1.2
277.10800	2.2
287.09204	3.0
290.97110	1.0
305.10153	11.2
307.08432	1.5
323.11243	100.0
324.11703	1.3
339.10892	3.4
344.84442	1.1
349.09219	1.1
367.09665	6.0
367.13867	5.8
367.18732	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.0207
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43622	0.1
50.98114	0.1
51.75890	0.1
64.03801	0.2
70.17071	0.7
82.99844	0.2
98.21365	0.2
101.00889	1.0
105.23264	0.2
108.91562	0.1
110.02674	0.1
119.01923	6.9
121.01643	0.2
134.99921	0.4
137.02959	2.6
140.98840	0.2
142.03484	0.3
153.00908	0.5
158.99922	0.7
175.02963	0.2
177.00954	17.5
178.01062	1.0
182.99951	0.5
185.98834	0.2
191.96118	0.2
193.04140	0.4
195.01945	0.4
200.02534	0.5
201.00945	0.9
201.48894	0.1
217.04076	3.0
218.06520	0.2
219.02007	25.3
220.02112	1.3
221.02005	0.3
225.00781	2.0
235.00000	0.4
236.00143	0.5
236.99867	0.4
242.03673	0.8
243.01961	5.6
244.02113	0.4
245.98351	0.2
258.99963	0.8
260.00116	1.2
260.04666	0.3
261.03058	100.0
262.03183	4.7
263.03232	0.6
266.03714	0.4
277.00952	0.9
278.01151	1.5
279.00787	0.9
280.01025	0.6
282.99991	0.9
284.00076	2.2
284.04645	4.8
284.99774	0.5
285.04843	0.4
301.00977	2.4
302.01160	5.7
303.00943	1.5
307.06219	0.2
320.02106	0.4
325.01224	0.3
326.01242	0.5
334.51691	0.2
343.02075	1.4
344.02222	2.0
345.02148	0.4
352.75516	0.2
359.00113	0.2
362.03305	0.7
363.03018	0.2
367.02524	0.7
385.03195	3.9
386.03375	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46842	2.1
55.01858	3.7
55.05515	21.0
56.96573	2.8
57.03442	3.5
58.06598	26.1
60.04525	16.4
67.05202	2.1
67.05506	17.7
67.46764	2.3
69.03425	5.3
69.07076	10.5
69.16841	9.0
69.17262	15.5
70.06558	4.1
71.04975	5.1
72.08135	6.3
79.05505	18.2
79.25693	1.9
81.03410	6.0
81.07060	25.4
83.05003	3.1
83.08606	8.1
84.08154	40.9
85.06587	2.2
85.97488	1.8
86.09673	3.4
91.05490	16.3
93.07050	11.7
95.04975	7.6
95.08588	8.8
97.02889	3.0
97.06518	6.4
97.10176	8.2
98.09668	2.4
98.21545	4.1
99.00838	4.8
100.07625	9.5
102.57926	2.2
105.07046	12.9
107.04955	10.7
107.08629	11.9
107.09228	2.1
109.02883	4.8
109.06516	8.9
109.10156	6.1
111.08051	2.3
112.07603	9.4
117.06992	4.2
119.08592	10.0
121.05690	3.5
121.06512	54.6
121.10139	4.5
123.04443	2.3
123.08066	4.3
125.09628	4.8
129.07027	2.8
131.08539	5.1
133.10136	13.0
135.08055	4.6
136.11212	4.2
137.09610	2.8
138.02310	2.1
143.08633	3.3
145.06456	3.6
145.10019	2.3
147.11653	3.4
149.05981	2.6
149.09680	2.8
151.11214	2.3
159.08075	6.7
159.11728	2.7
161.09631	6.2
161.87527	2.6
163.07521	3.7
163.11069	2.8
181.12343	3.3
189.11278	4.0
216.82903	2.2
233.26146	2.0
255.08986	4.9
261.18616	5.0
271.17047	4.8
273.10089	6.3
285.05716	4.3
288.19617	9.0
289.17966	28.8
292.19757	2.9
306.20700	10.0
307.18997	4.3
335.09067	3.8
348.21674	7.3
348.40735	2.3
366.22888	100.0
367.18207	4.8
367.22742	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	366.037
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73836	0.4
51.68756	0.5
69.55264	1.0
69.55676	2.5
70.91782	0.4
75.96681	0.4
85.77641	0.4
94.10298	0.5
95.42157	0.4
98.20807	0.9
101.00869	0.7
102.02387	0.4
119.01920	6.1
137.02950	3.6
158.99883	0.6
162.66908	0.5
177.00949	23.2
178.00999	0.9
179.00710	1.7
182.99814	0.7
189.52991	0.5
195.02045	0.5
200.02451	0.5
201.00964	0.8
201.07260	0.6
211.00137	0.6
216.98984	0.7
217.04062	2.9
218.03555	0.9
219.01993	30.3
220.02078	1.4
221.01839	2.6
225.00983	1.8
234.99995	7.0
236.00052	1.9
236.99855	1.7
240.98888	0.9
242.03616	1.8
242.98564	0.7
242.99568	0.6
243.01953	4.9
253.01054	2.1
254.00984	0.7
255.00876	0.9
258.03156	0.5
259.00003	13.2
259.02780	0.7
260.00040	1.9
260.04535	1.4
260.99979	4.4
261.03046	100.0
261.99976	0.9
262.03290	1.7
263.03000	1.9
264.98831	2.4
266.03494	0.5
277.01035	19.8
278.01126	3.7
279.00882	7.0
280.00977	1.9
282.99973	26.7
284.00046	3.1
284.04669	5.6
284.99823	1.3
285.99936	1.0
291.99680	0.6
293.99274	0.5
301.01031	69.7
302.01132	8.6
303.01065	3.2
304.00882	2.9
305.00748	0.7
315.01019	0.7
319.02118	6.0
320.02005	0.5
324.02444	2.3
324.08990	0.6
325.00858	3.5
341.02350	1.0
342.01913	12.2
343.02097	29.2
344.02173	1.4
360.03134	0.7
361.03223	11.6
362.03201	0.7
366.03397	3.0
367.02490	1.0
384.03064	5.3
385.03137	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	365.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02972	2.5
53.03915	4.0
54.21045	2.6
55.05490	11.2
57.07045	6.6
59.04991	3.2
65.03924	2.7
67.05502	24.0
69.03411	2.6
69.07048	9.7
71.04996	2.9
79.05485	19.8
81.07053	19.9
83.08592	5.2
84.11221	2.6
85.06511	4.3
91.05477	22.6
93.06591	2.4
93.07043	29.6
95.04965	42.0
95.08602	31.9
97.06506	6.4
98.21555	4.2
105.07018	37.8
107.08592	31.4
109.06494	7.8
109.10164	17.7
115.05448	4.9
117.07015	12.6
119.08574	40.4
121.06477	5.7
121.10107	11.1
123.08059	4.9
123.11676	3.6
125.09595	2.8
128.06181	8.7
129.07001	14.9
131.08548	22.6
133.10135	15.3
135.08093	13.2
135.11636	7.5
141.06956	7.3
142.07784	17.9
143.08542	31.8
144.09277	6.6
145.10121	29.5
147.08028	5.6
147.11711	6.7
149.09666	3.6
151.07489	3.0
155.08560	17.7
156.09370	20.1
157.10127	58.2
158.07184	2.7
158.10860	4.7
159.08043	7.6
159.11679	27.4
161.09576	5.7
161.13243	7.4
163.11087	2.9
165.06897	5.2
167.08549	8.4
168.09288	4.2
169.10129	18.1
170.10880	9.8
171.11678	25.5
173.09547	7.4
173.13190	9.9
175.11124	2.6
175.14801	2.6
177.12608	2.9
179.08514	8.8
180.09305	3.8
181.10109	14.2
182.10818	5.9
183.11681	26.0
184.12421	4.4
185.13240	57.2
187.11142	15.1
187.14764	9.5
189.12677	4.4
192.09296	4.0
193.10115	14.5
194.10846	6.9
195.11700	26.6
196.12453	4.7
197.13295	17.0
198.14044	3.2
199.11041	2.4
199.14828	4.9
203.05243	3.7
203.14220	5.5
205.15825	8.6
206.10851	5.2
207.11644	17.7
208.12363	9.0
209.09677	3.4
209.13252	22.4
210.13931	5.5
211.11194	3.3
211.14740	8.3
213.12706	10.7
217.10095	3.3
219.11610	9.1
220.12473	5.5
221.13219	16.8
222.13962	8.4
223.11038	3.6
223.14810	18.0
225.12695	3.2
225.16318	7.5
227.14275	5.5
231.11664	3.7
232.12479	3.6
233.13181	8.9
234.13882	3.8
235.14760	10.1
236.15605	5.6
237.16312	13.6
238.17079	3.4
239.14195	4.6
239.17932	3.4
241.15977	4.1
243.11638	3.4
247.14752	7.9
249.12692	3.2
249.16318	12.3
251.17918	11.7
253.15742	3.8
257.18948	2.5
259.14850	3.5
260.15366	2.9
261.16217	6.0
262.17151	3.1
263.17914	9.0
264.18655	3.7
265.15875	4.9
265.19434	4.9
267.17239	3.8
269.18878	5.1
273.16394	4.3
274.09509	2.5
277.15784	3.2
281.18906	3.4
289.19461	4.1
291.17328	6.4
299.17856	3.9
307.20416	5.2
309.18494	4.8
314.20258	3.5
319.24094	3.8
329.22372	3.7
332.21255	4.0
347.23505	26.2
365.10449	4.8
365.24661	100.0
366.24945	6.2
381.04700	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	365.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	2.7
55.05502	20.4
57.07051	5.2
58.01861	2.6
61.45034	2.7
63.24962	2.7
65.03918	3.2
67.04296	3.0
67.05502	34.9
69.03410	5.7
69.07047	12.0
69.90928	2.5
71.04977	2.8
71.52367	4.1
73.24103	2.7
76.67609	3.1
77.47708	3.1
79.05498	19.3
81.07053	32.7
83.04942	6.4
83.08617	6.8
85.06550	6.0
91.05476	31.4
93.07037	32.6
95.04400	3.0
95.04968	48.7
95.08609	44.3
97.06519	5.9
105.07029	43.2
107.08586	37.9
109.06515	10.6
109.10146	17.7
115.05437	5.5
117.07006	14.0
119.08582	47.5
121.06478	6.8
121.10120	11.7
123.08048	5.5
128.06186	7.9
129.06981	12.4
131.08565	28.2
133.10138	21.2
135.08063	14.7
135.11670	13.3
137.09543	3.9
141.06973	10.2
142.07776	17.8
143.08566	28.4
144.09322	8.6
145.06361	3.1
145.10121	38.0
147.07927	3.4
147.11682	10.0
149.09625	5.6
154.07732	4.3
155.08562	13.9
156.09335	13.3
157.10135	44.8
158.10873	5.8
159.08073	7.0
159.11702	36.1
161.09601	9.1
161.13245	9.6
163.11140	3.6
165.06993	8.1
167.08525	8.1
168.09366	8.3
169.10135	26.4
170.10910	17.1
171.11618	23.8
172.08838	5.4
172.12534	5.3
173.09624	5.9
173.13217	12.2
175.11176	3.9
179.08533	10.6
180.09334	6.7
181.10059	20.2
182.10869	8.8
183.11700	33.3
184.12398	4.9
185.04178	3.1
185.13226	27.9
187.11189	20.7
187.14835	16.2
189.12746	4.5
192.09285	5.0
193.10132	16.8
194.10883	10.0
195.11656	30.0
196.12413	13.0
197.13251	26.3
199.11188	4.5
199.14796	11.3
201.12720	6.5
203.05130	3.8
203.14282	6.7
205.10097	7.2
205.15848	10.7
206.10912	11.5
207.11665	24.8
208.12511	15.6
209.09770	2.8
209.13252	29.6
210.13962	4.0
211.11189	5.0
211.14828	11.2
213.12717	15.9
215.14381	5.1
217.10182	3.3
218.10948	3.2
219.11650	6.5
220.12444	6.0
221.13248	25.6
222.14040	8.3
223.14835	24.3
224.15614	5.4
225.12733	6.8
225.16275	4.9
227.14304	3.3
233.13309	8.6
234.13943	6.6
235.14789	11.9
236.15527	8.7
237.16289	16.3
239.14404	5.3
239.17886	3.3
241.15862	6.4
243.11693	3.5
245.13206	5.5
246.14085	4.8
247.14702	8.2
248.15625	4.6
249.16383	11.5
250.17212	5.3
251.17953	11.5
253.15849	3.2
255.17415	4.4
258.13898	4.3
259.14676	4.6
260.15576	3.5
261.16357	7.9
262.17267	3.8
263.14636	3.4
263.17972	12.9
265.15802	6.3
265.19391	4.0
267.17413	9.0
269.19113	7.2
273.16302	6.4
274.16940	3.5
275.17770	4.1
277.15820	6.4
277.19443	4.0
281.18878	6.1
283.20560	4.0
289.19479	5.8
291.17355	11.3
309.18442	3.7
319.24280	4.9
329.22513	4.1
347.23657	34.7
365.10562	7.7
365.24692	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.9
55.01865	5.4
55.05502	9.8
57.03434	6.3
60.22931	0.8
62.52313	0.8
65.03922	1.7
67.05497	17.0
69.03423	2.6
69.07059	7.8
71.03402	0.9
71.03741	1.8
71.04987	2.8
79.05489	19.2
81.03413	2.7
81.07050	31.2
83.04963	10.1
83.08602	3.7
85.02900	3.9
85.06535	1.6
85.12794	0.9
89.05094	0.8
91.05476	15.8
93.07031	16.8
95.04948	5.8
95.08601	9.5
97.02890	1.1
97.06526	5.4
97.10155	3.0
99.04463	1.6
105.07030	10.9
107.04951	3.5
107.08575	10.3
109.06507	10.5
109.10149	8.5
111.04447	7.4
111.08055	3.5
113.06010	0.8
115.05441	1.0
117.07049	4.5
118.00209	0.8
119.08563	9.1
121.02639	1.7
121.06487	4.1
121.10120	6.6
123.08045	4.0
123.11740	1.9
125.05945	0.8
125.09651	2.5
129.06996	3.7
130.07855	1.0
131.08548	5.8
133.06436	2.9
133.10120	8.6
135.08022	3.8
135.11644	4.1
137.09604	3.0
143.08549	2.1
145.10133	6.4
147.08046	5.3
147.11690	2.7
149.09596	4.3
151.11160	5.2
153.12730	2.1
153.57425	0.8
157.10136	2.2
159.11693	1.6
161.09618	3.5
161.13297	1.0
163.11116	4.4
165.09116	2.9
171.11676	1.9
175.11241	1.5
177.09084	1.8
181.12245	3.5
189.11246	1.3
191.10689	2.0
205.08337	20.9
223.13222	2.4
227.12860	1.7
227.18054	0.9
245.19058	2.1
249.14787	2.6
253.14511	2.0
255.17496	1.1
263.19943	1.0
267.14349	1.5
273.18466	12.7
285.15652	1.1
291.19547	18.1
292.19824	1.0
312.12234	1.0
347.18121	1.1
347.22162	2.3
365.10336	1.7
365.19260	8.7
365.23044	100.0
366.23434	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	365.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.9
54.53512	1.5
55.01886	7.7
55.05515	32.4
57.03435	12.3
57.07072	1.6
59.04978	1.8
65.03929	2.0
67.05505	32.3
69.03420	11.8
69.07070	50.3
69.94674	4.6
69.95083	2.9
71.04986	2.3
72.93772	1.4
79.05079	2.1
79.05498	25.8
81.03410	6.6
81.07057	26.1
81.48685	1.2
82.43661	1.4
83.04975	7.9
83.08618	10.6
85.02909	1.9
90.94792	2.7
91.05481	16.6
93.07046	19.7
95.04973	9.1
95.08622	13.7
97.02891	17.2
97.06536	5.9
97.10178	16.3
104.75830	1.2
105.07046	11.8
107.04948	6.2
107.08601	14.8
109.06523	4.7
109.10165	12.4
111.08083	3.1
115.05409	1.4
117.07017	7.8
119.08602	13.0
121.06493	1.6
121.10157	7.3
123.08080	5.5
125.09635	12.5
129.07022	2.7
131.08562	8.6
133.10175	6.5
135.08041	5.6
135.11732	3.6
137.09601	4.9
143.08530	3.7
145.10088	5.9
147.08006	4.3
147.11693	4.2
149.09627	2.3
149.13254	3.6
151.11153	1.7
154.72302	1.3
155.08638	1.7
157.10091	3.9
159.11700	4.2
161.09605	2.8
161.13187	1.9
163.11227	2.3
165.09148	2.4
173.11726	1.6
175.11183	2.6
177.12738	2.3
185.13194	1.7
189.11241	8.9
195.13727	1.6
205.12248	3.6
223.13298	36.4
226.90414	1.5
226.92862	1.6
227.12811	1.5
273.18530	13.2
291.19553	100.0
292.19998	2.6
345.11691	1.7
347.08850	1.5
347.13129	4.9
347.22287	2.9
365.14130	2.6
365.23242	39.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.4
55.01882	8.5
55.05512	29.0
56.96555	1.8
57.03442	13.2
57.76425	1.4
59.04987	2.0
61.22865	1.1
61.93439	1.2
65.03923	1.4
67.05139	1.4
67.05505	39.6
69.03429	13.6
69.07069	49.4
69.96201	3.5
69.96593	2.1
71.05000	2.5
73.02908	1.4
73.48267	1.3
79.05495	32.9
81.03410	8.0
81.07057	27.1
83.04967	5.5
83.08624	10.4
85.02901	1.6
91.05480	17.4
93.07041	23.6
95.01278	1.1
95.04956	10.1
95.08607	16.0
97.02894	17.7
97.06540	9.8
97.10174	17.7
98.98441	1.2
105.07027	15.4
107.04942	9.4
107.08595	16.8
109.06504	5.5
109.10155	14.9
111.08090	2.7
115.05459	2.8
117.07015	9.4
119.04978	1.3
119.08572	13.4
121.06518	4.2
121.10136	7.3
123.08062	4.1
123.11736	1.2
125.09631	15.0
129.07008	4.2
131.08562	8.2
132.38890	1.3
133.06430	2.3
133.10124	6.5
135.08046	5.0
135.11714	3.9
137.09578	5.6
139.07478	1.4
143.08542	3.7
145.10101	7.1
147.04301	1.6
147.08046	4.3
147.11693	3.8
149.09604	3.2
149.13232	3.6
151.11266	2.2
153.09026	1.6
157.10092	2.5
159.11699	3.6
161.09612	5.4
161.13197	1.5
163.11183	1.8
167.02277	1.4
171.11717	2.1
173.11797	1.5
175.11073	2.2
177.12798	3.1
183.11717	1.6
185.13275	1.6
189.11264	8.3
189.12711	1.6
193.12209	1.4
195.13821	2.0
203.14320	1.3
203.73247	1.2
205.12289	2.9
221.11670	1.6
223.13281	32.7
225.05603	1.4
245.18997	2.6
255.17413	1.8
263.20102	2.5
273.18500	19.8
280.07211	1.2
285.10162	1.7
291.19550	100.0
292.19870	2.1
347.22134	2.2
365.10443	4.3
365.23199	51.0
365.33032	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	7.9
55.01875	17.9
55.05513	32.4
56.96553	5.9
57.03434	22.3
57.07065	19.2
57.50220	4.5
59.04998	78.3
65.03953	3.4
67.05502	84.1
69.03423	9.0
69.07069	34.4
71.04973	8.2
71.51951	5.4
79.05489	67.1
81.03396	13.1
81.06605	5.0
81.07053	100.0
83.04993	21.0
83.08616	11.6
85.06541	7.2
91.05476	89.5
91.64504	3.5
93.07040	73.9
95.04958	27.9
95.08605	41.1
97.06522	11.0
97.10155	8.1
105.07030	61.4
107.04964	21.0
107.08580	55.0
109.06506	12.3
109.10151	51.2
111.04440	4.6
111.08078	9.8
115.11178	10.0
117.06994	18.2
117.09086	5.2
119.08589	27.7
121.06519	17.0
121.10159	20.7
123.08069	11.6
123.11691	13.7
129.06985	10.9
131.08551	30.3
133.06476	13.7
133.10123	84.4
135.08076	20.7
135.11684	10.7
137.09583	6.3
139.07535	9.2
141.06920	4.6
142.07758	3.5
143.08565	14.1
145.10106	15.9
147.07971	8.4
147.11661	12.3
149.09599	24.9
151.11188	44.3
155.08525	6.1
157.10168	8.1
159.08073	8.8
159.11710	7.1
161.09621	16.0
165.09117	4.4
169.10112	4.4
169.12212	4.7
171.11620	7.1
173.15335	7.1
175.11096	7.1
177.09163	12.0
180.63737	3.8
183.11644	4.2
185.13197	6.3
203.05350	3.8
203.18108	3.8
205.12389	3.6
211.14706	3.7
213.12592	3.9
215.12816	4.7
227.17967	3.7
237.16452	5.3
243.08920	6.8
245.18994	9.6
251.12834	4.7
253.14368	27.5
255.17680	5.0
259.65967	4.3
263.20047	8.9
269.13828	7.1
273.18500	42.2
291.19534	42.8
296.16568	3.2
347.22159	5.2
365.10583	6.9
365.23264	62.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.2
55.01854	9.7
55.05509	17.2
56.96550	7.3
57.03164	3.2
57.03433	52.0
57.07065	3.8
65.03927	3.8
67.05139	3.3
67.05500	62.2
69.03412	10.2
69.07050	20.9
69.49639	15.8
71.04973	6.4
72.20105	2.1
79.05482	39.9
80.05806	2.2
81.03403	5.8
81.07049	35.0
83.04974	7.1
83.08594	7.0
84.08110	2.8
85.02904	5.1
85.06535	41.0
91.03951	2.7
91.05480	27.8
93.07037	32.6
95.04387	3.8
95.04962	63.1
95.08595	17.3
97.02888	5.1
97.06516	7.6
97.10178	3.5
98.20758	2.9
98.97588	3.9
105.07030	23.3
107.04945	12.4
107.08574	19.1
109.06499	52.1
109.10132	9.2
111.08063	4.2
113.05993	100.0
115.05433	3.0
116.98560	2.7
117.07018	11.6
119.08575	18.5
121.06483	8.7
121.10146	14.1
123.08046	6.4
125.09635	3.8
128.06210	2.6
129.05470	3.1
129.07002	5.5
131.08543	10.4
133.10126	9.9
135.08044	31.9
135.11653	8.7
135.12633	2.5
137.05803	4.1
137.09679	3.8
141.07016	2.9
143.08575	6.9
145.06462	2.6
145.10121	11.6
147.08026	5.3
147.11664	7.7
149.09587	4.1
149.13268	3.6
151.11174	2.8
157.10103	6.3
159.07988	3.2
159.11653	6.2
161.09596	8.1
163.11160	3.0
165.09123	3.6
170.99619	2.6
171.11690	3.2
173.13248	3.5
177.12758	3.4
181.10088	2.2
185.13181	2.7
195.13744	2.8
199.14848	3.7
205.08356	24.2
213.16377	2.3
217.15863	11.8
223.13115	3.7
227.17973	2.3
245.18938	2.6
255.17439	3.6
256.35086	2.6
263.12482	10.1
263.20111	2.7
273.18500	25.3
283.08551	3.3
285.09985	2.2
291.19531	41.0
292.19846	2.5
321.04837	2.1
365.14249	3.1
365.19272	7.0
365.23132	57.6
365.31271	4.7
366.23193	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	365.193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.0
55.01859	3.9
55.05508	8.4
57.03424	5.7
57.07058	1.5
57.65310	1.4
58.17604	1.2
66.38309	1.3
67.05502	16.2
69.03415	2.6
69.07069	8.3
69.36773	12.1
70.06609	1.4
71.04995	2.2
79.05487	13.9
81.03407	2.1
81.07050	19.2
82.00305	3.0
83.04969	4.7
83.08611	3.6
85.02905	1.5
85.06512	1.9
89.73917	1.3
91.05480	10.9
93.07043	12.4
95.01077	1.8
95.04957	7.6
95.08598	7.4
97.02886	2.0
97.06525	5.4
97.10167	1.8
99.18549	1.3
105.07021	12.9
107.04937	4.1
107.08611	8.8
107.97928	1.3
109.06508	7.0
109.10137	8.8
111.04465	2.7
111.08059	2.0
113.06004	3.1
117.07020	3.7
119.08564	6.0
121.02600	4.0
121.06485	2.9
121.10130	4.0
125.09651	2.5
129.07014	3.1
131.08537	4.6
133.06450	3.3
133.10129	8.0
135.08035	5.4
135.11679	3.0
137.05748	2.5
143.08609	1.9
145.10089	5.1
147.08090	2.1
147.11671	1.3
149.09521	1.8
151.11192	6.0
157.10095	2.1
158.02708	1.3
159.11685	1.6
161.09616	4.3
163.07318	2.3
164.08017	1.3
165.09024	1.2
175.11198	1.6
177.08913	3.8
189.08817	1.9
195.09839	1.9
205.08342	100.0
206.08762	2.1
207.09908	2.8
221.11578	3.2
223.13242	2.2
245.18967	1.5
246.11000	2.6
249.11011	1.6
251.12616	2.0
253.14386	2.1
263.12439	3.8
263.20111	1.5
269.13849	1.9
273.18509	7.1
279.12097	4.8
284.12622	2.3
285.00638	1.4
285.09872	1.2
291.19510	12.7
300.94434	1.3
319.15399	1.8
319.18845	3.0
365.10342	3.1
365.19202	55.2
365.23044	65.7
366.19299	2.5
366.23306	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2307
Annotation	Galbonolide C
Peak:m/z	Relative Intensity
53.03928	2.9
55.01865	5.4
55.05502	9.8
57.03434	6.3
60.22931	0.8
62.52313	0.8
65.03922	1.7
67.05497	17.0
69.03423	2.6
69.07059	7.8
71.03402	0.9
71.03741	1.8
71.04987	2.8
79.05489	19.2
81.03413	2.7
81.07050	31.2
83.04963	10.1
83.08602	3.7
85.02900	3.9
85.06535	1.6
85.12794	0.9
89.05094	0.8
91.05476	15.8
93.07031	16.8
95.04948	5.8
95.08601	9.5
97.02890	1.1
97.06526	5.4
97.10155	3.0
99.04463	1.6
105.07030	10.9
107.04951	3.5
107.08575	10.3
109.06507	10.5
109.10149	8.5
111.04447	7.4
111.08055	3.5
113.06010	0.8
115.05441	1.0
117.07049	4.5
118.00209	0.8
119.08563	9.1
121.02639	1.7
121.06487	4.1
121.10120	6.6
123.08045	4.0
123.11740	1.9
125.05945	0.8
125.09651	2.5
129.06996	3.7
130.07855	1.0
131.08548	5.8
133.06436	2.9
133.10120	8.6
135.08022	3.8
135.11644	4.1
137.09604	3.0
143.08549	2.1
145.10133	6.4
147.08046	5.3
147.11690	2.7
149.09596	4.3
151.11160	5.2
153.12730	2.1
153.57425	0.8
157.10136	2.2
159.11693	1.6
161.09618	3.5
161.13297	1.0
163.11116	4.4
165.09116	2.9
171.11676	1.9
175.11241	1.5
177.09084	1.8
181.12245	3.5
189.11246	1.3
191.10689	2.0
205.08337	20.9
223.13222	2.4
227.12860	1.7
227.18054	0.9
245.19058	2.1
249.14787	2.6
253.14511	2.0
255.17496	1.1
263.19943	1.0
267.14349	1.5
273.18466	12.7
285.15652	1.1
291.19547	18.1
292.19824	1.0
312.12234	1.0
347.18121	1.1
347.22162	2.3
365.10336	1.7
365.19260	8.7
365.23044	100.0
366.23434	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	365.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	3.1
55.05507	12.5
56.96305	3.8
56.96568	63.0
57.03434	5.9
57.87344	2.4
59.49147	2.2
63.16018	2.9
67.05508	20.1
69.03423	5.7
69.07072	23.9
70.47881	2.9
70.48217	7.6
71.95249	6.5
72.96050	4.0
75.13189	2.4
77.31363	2.1
79.05502	17.5
81.03405	5.0
81.07053	19.3
81.12601	2.5
83.04987	3.5
83.08597	7.2
86.09710	4.4
86.79636	2.3
91.05462	15.2
93.07031	14.6
95.04948	4.2
95.08603	8.6
97.02896	4.2
97.06540	9.6
97.10195	4.9
105.07023	10.2
107.04971	5.2
107.08601	11.1
109.06528	6.3
109.10129	7.3
117.07024	5.3
118.80112	2.4
119.08566	10.7
121.06504	3.4
121.10154	7.2
123.08081	3.7
125.09621	5.7
125.50642	2.4
129.07025	4.3
131.08551	4.4
133.01738	5.7
133.10106	9.7
135.08069	6.0
135.11653	3.4
138.05476	5.1
143.08495	2.6
145.10069	4.2
147.08075	3.8
157.10159	3.0
161.09645	4.0
175.11214	3.7
189.09163	3.1
189.11253	3.3
193.12251	3.1
199.06418	7.9
203.05885	6.7
211.06212	3.6
212.10573	2.4
213.08008	7.1
217.07484	22.2
223.13284	9.6
229.07518	4.5
231.09009	7.0
241.11192	2.3
243.09161	4.1
245.10478	4.1
251.09525	11.4
255.08932	15.8
263.19928	2.4
269.10608	100.0
273.10144	13.3
273.18472	6.4
279.09048	3.1
285.10104	4.1
287.11658	53.4
291.19550	34.0
292.12241	15.2
295.12051	4.1
310.13272	3.7
365.10272	5.6
365.16885	57.3
365.24030	12.2
383.17380	38.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	4.4
57.03428	1.7
58.99869	1.2
61.02921	1.8
69.03416	3.4
70.21117	2.6
70.98085	1.1
71.04965	1.0
73.02914	1.2
81.03389	1.0
84.08116	0.9
84.96037	0.9
85.02913	7.0
85.06549	4.0
85.06950	0.8
97.02880	3.2
98.97581	7.9
101.00919	3.6
109.02850	1.2
110.97572	2.3
112.99145	1.0
113.00871	2.2
113.04479	1.1
115.02399	2.0
116.98624	4.6
119.01933	9.4
121.01646	1.9
127.03889	1.0
128.98595	1.9
129.03961	1.6
131.00171	2.6
131.01895	10.2
131.05559	11.9
133.01633	1.9
133.03477	6.5
134.03613	1.0
134.99696	1.6
135.03203	1.2
135.05014	1.0
137.00871	0.8
137.02962	1.0
137.05965	3.3
140.98538	0.9
143.00174	1.3
143.01912	3.2
143.05571	1.4
145.01665	0.9
145.03459	5.4
145.04842	0.9
146.99648	2.5
147.03174	1.7
147.05008	2.4
149.01158	1.0
149.02928	1.3
149.04773	1.1
149.06601	15.7
150.06729	0.7
151.04541	0.8
155.01868	7.9
156.02696	1.6
157.03467	3.1
158.99702	1.6
159.03250	1.3
159.05035	4.1
161.02939	5.4
161.06581	15.3
162.03069	0.9
163.02696	1.9
165.00705	1.3
167.05582	1.1
167.06995	1.0
169.03421	1.1
171.05017	2.1
173.02965	12.5
173.04425	1.3
173.05054	1.4
173.06596	17.2
175.02791	1.4
175.04559	2.9
177.00697	2.4
177.04202	1.2
177.05992	2.5
179.07671	4.4
181.03494	1.2
183.05104	1.7
184.04726	1.3
185.02971	3.0
185.04787	2.0
185.06561	12.1
186.06798	1.4
187.04544	1.3
187.06638	0.7
187.08157	4.9
189.00742	1.9
189.06046	3.9
191.05936	1.8
191.07704	2.6
195.05070	3.1
197.06624	4.8
199.08165	3.1
201.06076	2.1
203.02228	1.3
203.03949	3.5
203.05792	2.4
203.07640	29.8
204.07875	1.7
205.03741	1.1
206.98273	0.9
207.01762	1.7
209.06534	4.7
213.06065	1.1
215.07642	33.5
216.07823	2.6
217.09206	4.1
219.01747	2.9
219.05075	2.0
221.03317	0.6
221.05037	17.5
222.05296	1.4
223.04886	2.5
227.07640	4.9
235.01285	0.8
237.02724	4.8
237.06090	2.8
239.07672	8.2
245.04964	2.6
245.08749	4.1
247.43970	0.7
257.08740	3.7
261.08386	1.4
273.08176	1.6
275.10150	8.5
279.05307	0.7
279.09198	3.1
281.05667	0.8
287.09879	2.7
298.11285	0.8
305.10818	100.0
306.10986	8.6
322.10583	0.9
323.06174	0.9
323.11914	10.8
324.12109	1.0
346.13327	1.1
351.05997	1.0
352.11609	1.2
365.12808	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1055
Annotation	Unknow
Peak:m/z	Relative Intensity
69.64871	1.1
82.99841	0.2
97.79151	0.2
99.20051	0.2
101.00882	1.6
110.01358	0.3
119.01922	2.5
122.01366	0.2
126.53986	0.3
131.01892	1.6
131.52002	0.3
137.01906	0.3
143.01889	1.7
145.03448	0.8
152.02481	0.4
155.01884	0.8
157.03464	0.6
161.02930	1.5
162.03137	0.2
167.01913	0.5
173.03008	2.2
173.36868	0.2
182.03590	0.2
185.02969	1.7
185.04240	21.3
186.04602	0.4
187.04532	0.4
194.03497	0.3
197.02954	0.8
203.05273	50.0
204.05740	0.3
215.04048	0.6
227.04079	0.3
245.05098	5.5
245.07523	0.4
263.06076	1.1
293.07263	0.3
352.34293	0.2
365.10565	100.0
366.10883	2.9
371.37381	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1055
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54344	0.7
50.67207	0.5
56.96553	1.2
57.14762	0.6
57.74815	0.6
63.41574	0.6
70.57199	0.7
70.57553	2.3
71.01006	0.6
71.42570	0.6
82.44167	0.6
85.02918	0.8
94.61313	0.7
97.02906	0.6
100.59107	0.6
101.00874	4.6
110.01374	1.1
115.02380	0.6
119.01927	10.9
120.02092	0.5
121.01626	1.1
125.01902	0.8
127.02417	0.6
131.01917	7.8
131.52010	0.8
135.83017	0.6
137.01906	3.2
137.02879	1.3
140.86467	0.6
142.01068	0.7
143.01909	6.2
145.03488	4.7
146.02417	0.7
149.02960	0.7
152.02429	1.0
155.01880	3.1
157.03465	2.7
157.04643	0.6
158.02501	0.6
161.01662	1.0
161.02965	9.7
163.04561	0.7
167.01881	1.8
169.03488	1.1
171.04991	0.6
173.02971	11.3
173.04372	1.0
175.04483	0.7
177.00661	0.7
179.01837	0.8
182.03380	0.8
185.02907	9.4
185.04248	20.9
187.04524	2.2
189.00848	0.8
191.04112	0.8
194.53377	0.6
197.02937	5.2
203.05333	46.0
215.04022	3.7
219.01651	1.0
221.03127	0.7
227.04045	2.3
232.74164	0.6
245.05069	23.6
246.05283	0.9
257.05005	1.4
263.06171	5.1
275.06219	1.7
293.07202	0.9
305.07010	1.0
335.55258	0.7
365.10562	100.0
366.10648	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.2
55.05500	0.7
57.03436	0.4
64.37004	0.2
67.05495	0.9
69.03414	0.3
69.07058	0.3
70.08391	1.0
72.84864	0.2
79.05485	0.6
81.03416	3.8
81.07059	1.1
83.04974	0.5
83.08627	1.0
85.02887	0.5
93.07029	0.8
94.04045	0.6
95.04961	0.9
95.08631	0.3
105.07016	0.9
107.04970	0.3
109.05094	0.3
111.08075	0.5
119.03543	1.3
119.08569	0.8
121.10217	0.2
129.06989	0.4
131.08554	0.4
133.06462	0.2
133.10158	0.3
136.06178	100.0
137.04651	1.3
137.06662	1.4
141.36697	0.2
146.54688	0.2
147.11656	0.8
149.09598	0.2
152.05678	0.7
154.07288	0.2
157.10129	0.7
162.07738	0.2
167.07083	0.2
172.60835	0.2
174.07799	1.2
175.11205	0.7
176.09259	0.2
193.12207	1.8
211.13226	2.0
211.14749	0.2
248.23204	0.2
281.30878	0.2
310.16721	0.4
328.17691	0.9
335.80286	0.2
346.18802	2.1
364.19766	32.8
365.13272	0.4
365.20065	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1053
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03414	0.7
69.03421	1.0
69.35083	4.8
85.02905	0.9
97.02885	1.3
101.00874	4.9
104.31828	0.5
110.01375	0.7
119.01928	10.0
121.51994	0.5
122.01420	0.7
131.01924	6.1
131.51965	0.6
137.01900	2.1
137.02917	1.2
143.01898	6.3
145.03452	3.5
146.02501	0.6
147.01392	0.7
149.02914	0.7
152.02405	1.2
155.01866	3.7
157.03487	2.2
161.02960	8.2
167.01929	1.4
171.05006	0.8
173.02975	10.3
173.53160	0.6
174.03065	0.7
175.04471	0.8
179.01907	1.0
180.74222	0.6
182.53540	0.6
185.02902	9.0
185.04250	20.3
187.04503	1.8
197.02936	5.1
203.05339	43.7
203.54291	0.6
215.03912	2.5
227.04048	1.9
242.36882	0.6
245.05084	23.2
246.05350	0.8
257.05051	0.7
263.06165	5.1
275.06195	1.9
293.07159	1.1
365.10565	100.0
366.10873	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1649
Annotation	Suspensoside A
Peak:m/z	Relative Intensity
57.03449	8.5
58.05086	7.3
67.05514	14.3
69.03413	15.8
70.06567	19.9
70.75397	7.7
71.50864	6.8
71.51295	14.4
72.08145	14.7
73.02931	9.3
79.05494	17.6
81.03439	9.9
81.07042	13.0
83.08608	8.3
84.04494	12.4
84.08115	9.7
85.02901	27.3
86.09722	15.1
87.92228	7.9
91.05497	48.7
93.07047	91.0
95.04952	23.9
95.08620	10.3
97.02865	12.7
105.06998	13.3
109.04029	10.5
119.08562	23.6
120.08113	9.4
123.04482	8.9
123.08096	11.7
125.09014	7.4
131.04892	7.5
135.08087	13.6
137.06001	28.3
147.04352	9.9
151.03911	8.9
165.09126	100.0
167.07127	11.8
179.03394	9.7
183.10129	16.3
201.11264	24.3
233.94072	9.3
289.17023	8.9
352.24139	10.4
363.16306	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	362.29
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05576	0.8
55.05501	2.9
57.07075	9.4
58.06595	2.1
67.05501	7.4
70.06590	19.6
71.04987	11.7
71.08618	3.7
71.50999	1.4
79.05466	1.3
81.03387	1.1
81.07067	5.1
83.04960	1.4
83.08624	1.4
85.10189	1.1
88.07631	21.3
91.05477	2.8
93.07064	1.8
95.08598	2.0
97.10177	0.9
99.08060	1.2
102.09176	12.1
105.07015	1.7
107.08588	1.5
109.10159	4.8
114.09145	4.2
119.08566	1.6
121.10195	0.9
123.11691	1.0
125.09631	2.2
132.10210	15.9
142.07835	1.0
155.14314	7.4
173.11726	7.9
176.12834	2.3
189.11246	1.7
194.13890	3.8
208.01266	1.0
212.23869	1.2
256.26349	33.6
274.27420	1.8
277.21545	1.3
291.64148	1.2
340.99896	1.2
345.20651	2.5
362.32635	100.0
363.32928	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	363.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.6
56.96559	7.9
57.03435	0.7
61.02930	1.7
69.03430	3.1
70.03779	0.6
71.02778	1.5
73.02922	1.1
74.06069	0.8
81.03391	1.3
84.08109	0.9
84.96033	1.0
85.02906	7.0
86.09722	0.7
91.03975	0.6
93.06953	0.6
97.02868	2.7
98.97584	100.0
99.04419	0.6
99.97912	0.7
109.02892	0.8
110.97573	1.6
116.98621	59.4
119.01891	1.0
119.04932	0.6
127.03922	1.9
128.98613	2.7
131.01889	1.1
131.04907	1.0
134.99657	24.1
135.00684	1.2
135.55577	0.7
136.30281	0.5
137.05908	1.3
140.00192	2.7
143.00194	0.9
143.02045	0.6
146.99681	2.0
153.00703	2.0
155.01862	0.6
158.01256	2.2
158.99654	50.2
161.01213	1.3
161.02942	2.0
162.03145	0.6
162.98978	0.7
164.07069	0.6
167.07085	0.7
170.99699	1.4
171.05229	0.7
177.00716	83.4
185.76448	0.6
189.00728	2.1
191.03822	0.7
191.54034	0.8
195.01770	7.5
200.02339	6.5
200.04236	0.7
200.54593	0.8
201.00705	1.1
201.04376	2.2
201.12355	0.8
219.01768	45.2
221.05057	1.3
237.02782	6.6
243.05377	3.1
245.05054	0.7
261.02664	0.7
273.08008	0.8
281.57233	0.9
282.64737	0.9
285.06354	0.8
303.07422	16.9
321.08530	25.1
344.10498	0.6
363.09171	8.1
363.13287	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1649
Annotation	1-O-beta-D-Glucopyranosylamplexine
Peak:m/z	Relative Intensity
55.01867	21.2
60.49924	16.3
61.60266	19.4
67.05502	46.4
69.03424	31.7
69.98907	16.9
70.06580	32.1
70.51690	43.1
70.52048	30.8
77.01022	16.7
79.05457	26.8
81.07058	34.1
84.04481	17.3
84.08134	28.7
85.02903	56.0
86.09689	27.8
91.05495	87.8
93.07035	77.2
95.04947	34.6
105.06987	20.9
107.08591	17.1
109.02914	18.4
111.04493	29.6
119.08571	47.1
121.63831	16.7
123.04434	85.5
124.04008	100.0
124.04785	29.6
125.03439	18.4
133.02823	16.5
137.05971	60.4
141.05466	81.5
147.04398	17.4
165.05516	19.4
165.09119	54.9
167.06996	32.5
173.52074	17.7
183.10194	62.2
201.11253	31.2
248.06686	30.4
277.12347	20.4
294.07202	81.4
363.10934	28.0
363.16248	65.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
60.94509	1.3
70.71197	4.1
91.05480	3.9
93.07034	2.8
95.04951	2.3
99.03295	1.4
103.05460	8.8
105.07015	1.4
107.04951	3.2
107.08604	1.3
117.06982	3.7
117.41365	1.2
119.04942	1.8
121.06499	3.9
122.03648	3.1
123.08111	1.5
128.06230	1.7
129.04076	1.3
131.04903	16.9
137.05971	46.7
149.06003	2.7
151.07523	11.2
161.05936	2.2
163.03940	1.7
163.07527	47.1
167.07080	6.5
175.07513	4.6
177.09097	100.0
178.09438	2.0
179.70596	1.3
181.08553	3.8
182.08861	1.9
189.09114	1.8
191.10739	1.6
195.10115	9.2
205.59906	1.6
221.11700	18.1
250.97968	1.3
256.10287	1.8
286.11478	1.8
362.16306	1.9
363.12115	2.1
387.49228	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48139	1.1
55.05508	12.7
55.31897	0.9
57.03444	1.7
57.07075	3.3
58.89425	1.1
59.04981	2.3
65.03930	1.8
67.05499	21.6
69.03421	1.7
69.07059	4.9
71.04986	8.1
71.51218	1.3
73.63447	1.2
79.05495	7.3
81.07053	100.0
81.38726	1.1
82.07375	1.2
83.04953	1.5
83.92643	1.1
85.06531	5.6
86.09686	4.6
87.10024	2.0
89.06033	1.6
89.99034	1.1
91.05460	3.8
93.07040	8.7
95.04965	8.1
95.08599	20.6
97.10164	9.4
105.07024	4.1
107.04947	1.7
107.08578	4.8
109.06519	4.1
109.10190	2.4
111.04482	1.4
111.08086	3.4
114.66880	1.1
119.04970	1.1
119.11759	1.1
121.06481	1.6
123.08106	1.9
123.11703	68.9
131.04898	1.6
133.10133	4.3
137.05974	4.7
140.86259	1.3
141.12730	3.2
147.04420	1.1
149.05919	1.6
151.11151	12.9
153.05479	1.8
165.75531	1.2
167.07037	2.3
169.12248	18.3
169.13647	1.3
175.60458	1.3
179.07205	1.3
181.08542	2.4
187.13289	12.5
189.09065	2.2
201.12328	3.3
202.12694	2.5
229.12132	1.2
250.01270	1.5
273.11658	1.5
285.11145	1.6
301.11984	1.7
310.07291	1.2
317.70898	1.1
361.12845	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13956	3.1
53.03942	5.3
55.01888	8.9
65.03921	4.4
67.05521	5.4
69.94627	16.4
70.06585	3.7
79.05502	29.1
81.07077	6.4
86.09706	8.1
91.05482	50.3
92.91861	3.6
93.07043	12.7
95.04976	18.7
103.05451	42.6
105.07021	20.7
107.04959	93.6
109.06496	6.3
115.05456	11.0
117.07021	10.0
119.04920	20.4
120.06544	4.0
121.06534	20.2
122.03673	7.8
123.04475	5.6
128.06261	6.3
129.07007	21.5
131.04935	21.1
131.08595	8.7
133.02859	11.1
133.06490	15.3
135.04387	9.4
135.08066	24.7
135.60577	4.3
136.06168	7.4
137.05974	80.2
138.06314	4.7
145.06432	7.2
146.07338	5.2
147.04402	19.6
149.02399	6.1
149.05977	8.7
151.03894	8.9
151.07530	39.0
153.05469	12.0
157.06476	9.7
159.04495	3.9
161.05978	87.2
161.07277	5.4
161.09589	20.3
163.03938	15.0
163.07544	100.0
163.08829	7.1
165.05516	34.4
165.06856	5.3
165.09171	4.9
167.07043	45.2
167.08421	6.4
169.06328	3.7
174.06723	5.5
175.07590	9.0
177.05414	4.0
177.09119	8.1
179.07069	29.1
180.07806	47.5
181.05075	8.1
181.06725	7.9
181.08598	71.3
182.07220	6.7
189.09102	76.2
195.08035	7.8
197.09723	5.5
201.09065	4.5
202.34099	3.4
207.10176	29.6
219.44034	4.0
221.06094	5.0
223.07590	6.0
225.09064	13.1
225.25333	3.6
229.12144	3.8
235.07416	4.8
238.05936	3.8
239.07047	4.8
247.07458	3.7
251.07156	4.3
253.08711	12.2
255.06505	5.7
255.10194	5.2
257.11563	8.4
283.09631	11.3
283.13147	6.4
285.11337	17.6
297.10950	3.7
299.12894	5.2
311.12958	4.5
315.12262	12.1
317.13824	7.7
326.80112	4.2
343.15253	7.2
362.18130	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	361.1645
Annotation	Fisetinidol-4beta-ol 3,4,7,3',4'-pentamethyl ether
Peak:m/z	Relative Intensity
52.44513	2.0
53.03938	2.8
65.03922	2.2
67.05479	5.6
69.03418	3.7
69.94409	9.7
70.08988	1.9
77.28997	2.2
78.04703	2.3
79.05508	13.7
81.07060	4.5
86.09682	3.0
90.59431	1.9
91.05481	25.0
93.07018	8.8
94.04188	4.0
95.04985	10.9
95.08562	3.1
103.05462	10.9
105.03371	2.4
105.07023	8.4
107.04951	22.3
109.02882	2.1
109.06509	3.9
109.10150	5.2
115.05447	3.3
117.06998	5.5
119.04948	9.6
120.05705	2.8
121.06518	18.9
122.03633	9.5
123.04420	6.2
125.06008	3.1
128.06233	5.3
129.07001	13.9
131.04916	10.4
131.08546	6.6
133.02852	36.6
133.06516	5.2
135.04387	2.7
135.08034	7.2
137.05978	100.0
138.06726	7.6
139.03749	1.9
145.06445	3.5
147.04437	9.5
147.07996	4.2
148.05222	3.9
149.06001	11.2
149.26028	1.9
150.06725	2.5
151.03874	5.7
151.07538	38.6
152.04654	3.8
153.05492	10.5
157.06461	13.2
161.05971	32.9
161.09610	7.7
163.03966	2.1
163.07552	15.8
164.08327	2.1
165.05435	9.3
165.06906	5.2
165.09125	7.8
166.06229	5.4
167.05653	3.3
167.07042	44.7
167.08479	4.2
169.06548	2.6
171.08023	2.7
173.11705	4.9
174.06755	6.3
174.52469	2.4
175.07539	8.4
177.09117	6.7
179.07048	5.9
179.08611	4.3
179.10677	38.5
180.07756	2.8
181.06409	2.9
181.06747	3.1
181.08603	52.7
181.10147	2.3
182.07248	6.1
189.09109	47.6
191.08589	3.2
191.10612	2.4
193.08597	6.5
193.10103	2.4
194.07249	3.2
195.08080	8.0
197.09767	3.6
197.11726	3.8
199.07574	2.5
207.08360	2.9
207.10173	14.6
208.08760	3.7
209.11739	6.0
210.06757	2.8
211.07603	3.5
211.09535	2.4
219.08104	4.0
223.07515	5.2
225.09097	10.3
227.07072	6.0
235.07425	2.5
236.08337	4.7
237.09042	3.3
239.06946	2.9
240.07605	3.1
242.09322	2.6
251.07007	2.8
251.10559	6.2
253.08574	11.5
255.06651	2.7
255.10219	4.2
257.11633	8.6
267.10092	3.5
268.07104	2.9
269.11453	2.0
279.10330	3.7
283.09665	10.2
283.13226	7.7
284.10437	2.6
285.11139	14.8
296.10217	2.3
299.09329	2.7
299.12756	2.9
302.11490	3.2
311.12698	4.3
315.12329	10.5
317.13837	14.3
329.13956	2.5
331.15201	2.5
343.15295	5.2
361.16675	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	361.1643
Annotation	(8R,8'R,9R)-4,4',9-trihydroxy-3,3'-dimethoxy-9,9'-epoxylignan
Peak:m/z	Relative Intensity
55.01864	3.2
57.58527	2.6
67.05513	4.6
69.37032	14.0
69.37457	13.2
70.06578	5.5
79.05482	8.0
79.39019	3.0
91.05489	23.8
93.07044	3.8
94.04289	2.9
95.04971	7.5
96.77789	3.1
96.98725	3.2
103.05460	6.5
105.07014	9.3
107.04927	13.8
115.05416	3.6
117.07037	4.1
119.04934	14.1
121.06506	8.8
122.03622	8.5
123.04487	3.7
128.06209	4.3
129.07016	6.4
131.04926	11.3
133.02837	14.8
133.06522	3.7
135.08018	5.6
137.05969	100.0
147.04372	10.5
148.05156	4.0
149.05952	12.4
151.07544	53.5
161.05934	42.7
161.09618	12.4
163.07530	17.8
165.05484	6.4
165.06841	3.7
167.08488	3.3
175.07503	6.5
177.09137	5.2
179.06998	8.4
179.10687	8.7
181.04985	3.7
181.08618	4.7
189.09114	29.2
190.08604	4.2
195.08069	6.8
195.10092	5.0
197.05984	3.1
207.10118	29.2
223.07431	3.9
227.10626	12.7
253.12117	5.6
255.10106	15.0
269.08200	3.8
285.11148	10.6
287.12787	23.7
297.11206	4.8
299.12778	7.1
313.14288	6.1
331.15222	9.1
343.15283	5.4
369.88046	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	361.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81572	2.4
53.03948	5.3
57.99606	2.3
61.79168	2.2
70.63866	5.3
70.64217	4.0
71.05016	2.4
77.03923	2.3
79.05480	15.2
79.08936	2.7
81.07023	2.5
91.05491	32.1
93.07029	14.9
95.04977	8.8
103.05458	17.3
105.07021	15.5
107.04951	40.2
115.05450	5.7
116.06277	3.1
117.07050	11.8
119.04941	8.6
119.08542	2.8
120.05785	2.7
121.06506	28.4
123.04431	9.6
124.05222	8.5
125.05997	2.8
128.06216	10.9
128.47668	2.5
129.07022	29.1
131.04933	15.2
131.08566	13.9
133.02800	4.1
133.06509	3.3
135.08064	8.6
137.05969	24.0
145.06474	9.6
146.07251	3.9
147.04419	5.7
147.08104	4.8
148.05173	5.8
149.05959	7.3
149.09618	2.7
150.06693	3.6
151.03929	6.6
151.07544	24.3
152.04721	4.3
152.06184	4.1
153.05458	13.0
153.06972	3.7
157.06494	27.4
159.08057	4.0
161.05980	62.1
161.09581	14.1
163.07550	26.2
165.05583	5.6
165.07021	11.9
165.09114	9.6
166.06250	11.8
166.07552	2.6
167.07056	86.7
167.08441	6.1
173.05986	3.3
174.06772	18.6
175.07526	7.6
177.09114	8.7
179.07066	3.8
179.08597	6.2
180.07845	2.3
181.05060	3.6
181.06487	4.8
181.06821	4.7
181.08591	98.8
182.07306	5.1
182.08942	4.0
183.08057	4.5
189.09111	100.0
190.07892	3.3
190.09479	2.9
191.08559	5.4
193.06606	6.3
193.08574	3.1
194.07277	5.6
194.72163	2.4
195.08080	18.6
197.05989	3.9
197.09685	11.9
199.07492	5.0
207.08072	7.5
207.10188	21.9
208.08743	5.2
209.06059	3.0
210.06761	7.9
211.07567	6.7
212.08298	4.7
212.14449	2.5
218.07306	3.3
219.08070	7.7
221.05998	5.1
222.06723	4.4
223.07573	12.3
223.11188	9.3
225.09074	21.6
227.07018	6.7
229.12180	2.8
235.07588	5.0
236.08401	6.4
237.05533	3.1
237.09073	5.5
238.06252	2.7
239.07019	8.1
239.10634	4.1
240.07748	6.7
241.08537	4.4
242.09402	2.3
247.07568	4.2
251.07103	6.8
251.10680	8.9
253.08667	19.3
254.09309	4.8
255.06673	5.9
255.10121	8.6
257.11813	17.6
265.08542	4.0
267.10239	5.4
268.07285	4.2
269.08084	4.9
270.08804	6.1
271.13098	2.9
279.10141	9.7
281.08105	4.1
283.09695	15.8
283.13284	10.8
284.10315	3.5
285.11160	32.1
286.11792	3.5
296.10422	3.7
297.11230	4.5
299.09189	5.1
299.12640	5.2
302.11469	7.9
311.12769	11.3
315.12079	19.0
315.15054	2.4
317.13806	24.5
331.15350	3.3
343.15231	7.1
361.16376	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97501	1.5
53.03942	3.7
55.01867	1.8
66.94297	1.5
69.03418	1.2
69.68726	8.1
69.93215	1.4
75.70438	1.3
77.03893	1.5
78.04687	2.0
79.05489	12.2
86.30453	1.4
91.05485	24.0
93.07022	12.4
95.04963	5.5
103.05467	10.3
105.03392	1.8
105.07030	10.5
106.04200	1.8
107.04948	33.9
109.06516	3.9
115.05466	4.7
117.07036	5.3
119.04939	6.3
120.05764	2.8
121.06514	21.5
123.04436	6.7
124.05208	4.2
125.06011	4.0
128.06227	9.5
129.07004	26.8
131.04890	9.9
131.08604	12.3
133.06493	6.1
134.03618	2.2
135.04437	3.3
135.08084	8.7
137.05975	18.2
138.06706	2.0
140.04654	2.6
145.06477	6.9
146.07251	3.9
147.04410	5.7
147.08035	3.0
148.05208	4.9
149.06021	6.9
149.09682	1.6
151.03928	4.4
151.07544	20.5
152.04668	4.6
153.05487	13.6
153.06709	2.4
155.07079	2.2
157.06499	18.7
158.07256	2.4
159.08057	2.7
161.05977	44.7
161.09586	12.8
163.07555	18.4
165.05533	3.2
165.06990	9.7
165.09068	7.9
166.06277	11.0
166.07655	2.1
167.07048	70.5
167.08524	5.7
168.07433	2.5
169.06551	1.7
174.06770	14.6
175.07599	7.8
177.05518	3.0
177.06961	2.3
177.09074	7.8
178.07816	1.9
179.07039	5.1
179.08592	5.1
181.05107	2.3
181.06606	5.2
181.08598	100.0
182.07275	5.5
182.08833	3.3
183.08060	2.7
187.07523	2.9
189.09099	82.9
190.07848	3.2
190.09383	3.1
191.08569	4.0
191.10641	3.2
193.06505	4.1
194.07263	4.7
195.08090	13.2
195.09731	2.0
197.05957	3.5
197.09671	11.1
199.07484	3.4
203.08607	1.3
203.10558	2.5
205.06554	1.8
206.07277	2.0
207.08220	2.6
207.10143	17.3
208.08807	4.4
209.05956	2.2
210.06786	6.7
211.07547	6.9
212.08257	2.4
213.09169	2.1
219.08054	5.9
221.05954	5.5
222.06804	3.4
222.10052	2.1
223.07590	10.1
223.11121	4.3
224.08377	2.3
225.05440	2.4
225.09126	19.3
226.09673	1.6
227.07057	4.6
229.12271	4.1
230.46169	1.3
233.05504	1.4
235.07443	3.4
236.08325	3.4
237.09087	4.6
239.07016	4.6
239.10663	2.7
240.07776	6.5
241.08476	3.4
247.07504	3.5
250.10039	1.4
251.06969	5.7
251.10791	7.6
252.07814	1.7
253.08636	16.5
254.09096	2.8
255.06470	3.1
255.10182	7.4
257.07974	3.4
257.11749	15.7
264.07712	3.2
265.08524	3.8
267.10114	3.5
268.07410	2.8
268.10559	2.0
269.07993	2.9
270.08844	5.2
271.13263	2.0
279.10144	3.8
281.08228	3.5
281.11584	1.5
282.08563	2.7
283.09616	14.8
283.13242	9.8
285.07944	2.7
285.11157	31.4
285.14307	2.2
296.10284	2.3
297.11218	3.7
299.09293	2.0
299.12741	4.6
300.09564	1.5
302.11368	4.7
311.12750	10.5
314.11246	3.2
315.12158	20.5
315.15216	2.2
317.13763	20.7
329.13391	6.5
331.15298	2.6
343.15131	9.3
361.16089	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	361.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56660	1.7
53.03939	3.6
55.01857	3.0
67.05472	2.3
69.45609	15.9
78.04718	2.6
79.05504	15.4
81.07076	2.2
83.05013	2.1
84.80843	1.9
85.30734	2.0
91.05479	25.8
93.03383	2.0
93.07039	10.5
95.04968	7.1
95.69973	1.8
98.20695	2.4
103.05462	14.3
105.03474	2.5
105.04469	1.9
105.07023	12.4
106.04185	2.0
107.04960	33.5
109.06579	3.3
111.04439	3.5
113.61958	2.1
115.05454	5.4
117.07032	6.8
119.04975	5.1
120.05745	2.1
121.06516	23.1
122.03700	2.5
123.04435	10.5
124.05202	5.3
125.06014	2.7
128.06212	9.3
129.07011	29.0
131.04910	13.6
131.08563	11.7
133.02870	5.0
133.06482	5.2
135.04396	4.3
135.08038	6.2
137.05948	18.0
145.06508	6.2
146.03592	2.2
146.07253	5.4
147.04417	5.8
147.08078	2.4
148.05186	3.6
149.05994	9.4
151.03906	7.0
151.07550	17.7
152.04654	4.1
152.06345	2.7
153.05467	14.1
153.06599	1.9
155.07111	2.8
157.06497	17.0
158.07310	2.6
159.08128	2.1
161.05986	50.2
161.07294	3.4
161.09622	14.6
163.07512	21.5
165.05672	2.4
165.06987	9.3
165.09119	11.4
166.06271	8.2
166.07585	2.2
167.07037	73.9
167.08545	6.1
167.99622	2.1
171.08040	3.4
173.06047	2.3
174.06816	10.8
175.07547	10.5
177.05435	3.1
177.06940	2.6
177.09108	11.1
179.07021	5.8
179.08504	4.6
181.05124	3.3
181.06862	3.6
181.08595	100.0
182.07262	7.3
182.08838	3.4
187.07516	2.1
189.09108	65.2
191.06952	2.0
191.08548	5.3
191.10750	2.1
193.08609	2.6
194.07285	5.6
195.08092	9.1
196.08751	2.1
197.06049	3.9
197.09616	8.1
199.07529	2.8
201.08945	1.9
202.86868	2.1
203.10547	2.2
205.06520	2.9
207.08252	4.7
207.10187	17.5
208.08920	5.3
209.06023	2.3
210.06760	4.9
211.07544	6.3
213.08917	2.7
219.08095	9.2
219.10059	2.8
221.06007	6.3
222.06720	4.0
223.07596	8.2
223.11121	3.3
224.08226	3.3
225.05492	2.8
225.09105	16.7
227.07040	8.4
229.12421	2.6
235.07422	2.5
236.08311	4.8
237.09196	4.0
239.07050	6.3
239.10684	2.9
240.07776	4.9
241.08514	5.8
242.09439	3.4
247.07594	4.7
251.06789	3.7
251.10713	6.1
253.08684	14.9
254.09326	3.1
255.06497	4.6
255.10245	4.7
257.07883	2.8
257.11780	16.9
265.12555	2.2
267.10172	3.6
268.07220	3.3
269.08121	5.7
270.08905	5.4
271.13281	3.6
279.10187	6.9
283.09634	14.4
283.13248	8.1
284.07376	2.2
285.07675	3.1
285.11145	30.6
287.09146	2.3
297.11276	4.7
299.09308	3.6
299.12839	5.8
302.11737	2.9
311.12946	6.4
313.10919	2.7
315.12247	20.9
317.13913	15.9
329.13586	4.4
331.15692	2.8
343.15308	9.9
361.16403	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	361.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.6
55.01862	3.7
65.03942	2.2
66.28052	2.1
69.57491	15.9
79.05490	12.2
81.07039	3.1
90.81699	2.2
91.05475	24.4
93.07061	11.9
95.04947	5.5
103.05453	10.2
105.07024	10.4
107.04949	33.7
115.05408	4.8
117.06960	5.0
119.04932	6.3
119.08536	4.1
121.06503	20.8
123.04405	7.7
125.06001	3.5
128.06223	7.2
129.07005	22.9
131.04921	8.7
131.08603	12.0
132.71581	2.5
133.06471	3.1
135.04327	3.9
135.08052	11.1
137.05963	17.4
138.06702	2.4
145.06464	7.0
146.07225	2.6
147.04405	7.0
147.08043	4.4
148.05159	3.5
149.05960	7.5
151.03867	4.9
151.07533	19.9
152.04701	4.7
152.06142	2.7
153.05458	15.3
153.06947	3.0
157.06493	17.7
159.07976	2.3
161.05957	39.6
161.09613	9.6
162.97397	2.2
163.07541	15.9
165.06955	8.4
165.09114	8.7
166.06253	11.0
166.07559	2.6
167.07033	64.1
167.08437	3.1
168.07338	3.0
173.11711	3.9
174.06747	11.8
175.07520	9.9
177.09071	10.8
179.07130	3.9
179.08588	5.9
181.06488	4.2
181.06808	3.8
181.08586	100.0
182.07256	6.4
182.08839	3.5
183.08067	2.6
185.88934	2.2
189.09090	87.8
190.09390	3.9
191.08563	6.9
191.10651	4.5
193.06487	6.5
194.07286	5.9
195.08018	10.9
197.09607	8.6
199.07495	2.6
207.08257	5.3
207.10161	16.4
208.08786	5.1
209.06087	2.5
209.09491	2.2
210.06676	7.5
211.07472	3.3
211.11136	2.8
212.08215	2.8
219.08005	8.1
219.10049	3.3
221.06082	5.4
223.07524	8.2
223.11217	3.5
224.08308	2.8
225.09129	19.0
227.06966	4.2
235.07437	4.0
236.08269	5.8
237.09106	3.6
239.07109	6.4
239.10654	3.9
240.07954	3.6
241.08733	2.5
242.09340	4.3
247.07414	4.1
251.07036	3.9
251.10553	12.2
253.08606	16.7
254.09120	2.9
255.06497	3.5
255.10094	7.0
257.11725	13.1
267.09952	4.2
269.08047	3.2
270.08752	3.3
271.13281	3.3
279.10172	4.7
281.07813	2.6
283.09592	11.4
283.13254	12.4
285.08051	2.9
285.11142	39.4
297.11081	4.0
299.12610	2.9
302.11304	4.7
311.12680	10.0
315.12192	19.6
317.13849	22.3
329.14099	3.9
331.15237	3.2
343.15326	9.1
361.16263	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	361.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.0
55.05508	3.1
57.03440	1.6
67.05505	1.8
69.03440	7.6
70.06602	3.5
71.05004	2.3
71.50896	1.5
71.51311	2.6
72.08145	5.9
72.79713	1.3
73.02924	1.9
74.06120	1.6
79.05491	4.9
81.03423	5.1
81.07051	2.6
83.01343	1.7
84.04500	1.9
84.08145	6.8
85.02899	11.1
86.09731	4.9
86.21956	1.4
87.04475	1.5
91.05490	4.1
93.07063	4.9
95.04980	9.7
95.08614	2.3
97.02898	5.0
97.06559	1.5
105.07050	2.7
107.04964	4.5
107.08617	7.0
109.02863	3.2
109.06539	3.0
110.06041	1.9
111.08131	1.9
115.09585	1.3
117.06943	1.6
121.06528	2.7
123.04436	5.5
123.08090	4.5
127.03918	16.6
131.04933	2.4
135.08067	5.5
136.07527	1.6
137.05940	7.3
139.03931	2.3
141.05486	5.0
147.04411	3.3
149.05956	2.7
151.03920	4.6
151.07523	5.2
153.05490	4.0
153.09123	1.6
155.08182	4.3
160.56879	1.7
163.07545	3.0
165.05510	3.0
167.07051	5.1
171.06570	3.6
181.06665	1.8
181.08571	13.3
199.09615	100.0
304.48080	1.5
361.09088	3.5
361.13422	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	361.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.4
55.01868	3.9
55.05516	2.0
60.21379	1.3
65.03942	1.7
67.05505	6.1
69.03435	1.8
69.07072	2.3
70.06595	2.6
71.04997	2.9
71.51182	2.3
77.03922	1.3
78.04717	2.6
79.05491	17.5
81.03414	2.9
81.07057	7.9
83.04993	2.3
84.08134	1.8
85.02914	3.0
85.06554	1.8
91.05481	32.1
93.07054	14.9
95.04966	13.1
95.08602	9.1
97.06551	2.8
103.05470	14.9
105.03388	1.8
105.07039	14.2
106.04164	2.0
106.06552	4.7
107.04955	40.5
107.08590	4.3
109.06528	4.8
109.10161	4.5
110.03674	1.6
111.04430	3.0
111.08061	2.2
115.05461	4.6
117.07035	7.6
118.04179	2.4
119.04939	8.9
119.08601	4.0
120.05698	1.6
120.08189	1.6
121.06512	23.1
123.04427	10.5
123.08055	2.1
123.11734	3.4
124.05231	6.8
125.06006	4.8
128.06223	9.6
129.07001	31.2
131.04916	11.2
131.08553	14.8
133.02829	3.2
133.06508	7.8
133.10130	1.8
134.03661	1.7
135.04404	5.2
135.08026	7.5
135.11708	1.3
136.05206	2.6
136.06178	2.6
137.05983	26.9
137.09598	1.8
137.13326	1.8
138.03149	1.9
138.06755	2.4
139.03900	2.9
139.07582	3.0
140.04694	1.8
141.07002	3.5
143.04930	1.3
143.08577	2.5
144.05684	2.4
145.06453	6.4
146.03619	2.4
146.07281	5.1
147.04393	7.1
147.08044	2.9
148.05179	5.7
149.05966	9.8
149.09619	2.2
150.06706	2.2
151.03925	7.3
151.07541	22.0
151.08684	1.8
152.04675	4.6
152.06223	2.5
153.05478	15.0
153.06863	2.7
153.12778	1.3
154.07787	1.4
155.07047	3.8
156.05692	1.6
156.21556	1.1
157.06497	21.0
159.04414	1.6
159.08011	2.6
160.05099	1.7
161.05981	56.6
161.09630	13.9
161.13322	1.5
162.06477	2.2
163.07550	23.7
164.07130	1.6
165.05582	3.1
165.07024	9.9
165.09088	10.6
166.06256	9.6
167.07050	75.9
167.08554	5.5
168.07323	2.5
169.06549	1.8
169.10144	2.0
171.08095	2.3
173.05984	2.1
174.06738	10.0
175.07506	7.1
177.05545	2.3
177.07008	3.7
177.09079	10.5
178.08807	3.3
179.07040	6.6
179.09286	10.8
180.07922	2.3
180.09740	12.6
181.05048	3.1
181.06593	6.1
181.08591	100.0
182.07286	8.5
182.08815	2.6
183.08080	4.3
184.05208	1.6
187.07556	2.5
189.09108	91.1
190.07794	2.2
190.09502	2.4
191.07047	3.3
191.08594	4.7
191.10652	2.7
193.06531	4.5
193.08485	1.9
194.07271	6.6
195.08104	14.6
197.05995	5.1
197.09648	11.6
199.07562	4.1
203.08618	1.9
203.10588	2.1
205.06523	2.4
205.08434	1.8
206.07176	1.8
207.08038	4.5
207.10115	25.1
208.08849	5.4
209.05992	2.7
209.09532	2.3
210.06776	6.4
211.07523	7.2
212.08322	4.6
213.08833	1.5
214.10007	1.4
219.08090	7.1
219.09964	2.1
221.05980	7.1
221.09605	2.7
222.06790	4.7
223.07632	9.9
223.11174	6.2
224.08301	3.3
224.11658	1.3
225.05539	3.2
225.09085	19.4
227.07016	9.0
227.10745	1.8
229.12260	2.7
235.07562	4.3
236.08376	5.7
237.09106	6.2
238.06226	1.4
238.10216	3.9
239.06970	7.6
239.10764	2.9
240.07846	6.0
241.08539	3.9
242.09346	3.8
243.10242	3.0
247.07602	4.8
249.09154	1.8
250.09966	1.7
251.07063	7.1
251.10652	6.4
252.07928	1.6
253.04884	1.3
253.05750	1.4
253.08537	16.7
254.09200	2.6
255.06558	4.3
255.10283	6.5
257.08157	2.5
257.11743	14.0
264.07843	2.0
265.08536	4.3
267.10101	3.5
268.07333	4.3
269.08087	4.6
270.08801	4.1
271.13333	3.3
279.10132	5.5
281.08017	2.8
283.09647	14.9
283.13223	10.3
284.10355	1.9
285.07736	3.3
285.11166	34.2
286.11734	2.0
290.48236	1.4
296.10529	3.7
297.11264	5.4
299.09082	5.9
299.12784	5.0
300.09775	2.4
301.07169	2.2
301.14514	2.2
302.11359	3.9
303.12344	2.5
305.13904	1.9
311.12912	8.3
312.13147	1.7
314.11008	1.4
315.12180	22.2
315.15552	1.8
317.13809	19.7
325.23669	3.4
328.13065	1.8
328.90823	1.3
329.13721	5.7
331.11819	2.4
331.15308	3.4
343.15366	11.6
361.16132	15.9
362.19800	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	360.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	7.9
55.05516	43.0
57.34480	6.3
65.03947	8.8
67.05509	89.2
69.03438	11.3
69.07071	49.9
70.72366	20.7
71.04996	71.3
73.06564	13.1
79.05490	90.5
79.90677	6.5
81.07056	35.8
83.05003	7.1
83.08619	28.8
85.02933	9.6
85.06505	7.2
87.08099	9.2
91.05470	35.4
93.07040	87.7
95.04965	16.6
95.08611	41.9
97.06532	21.5
97.10143	32.4
105.07032	33.4
107.04942	10.2
107.08601	65.9
109.10175	64.6
115.05460	8.6
117.07008	7.6
119.08581	17.1
121.10132	80.1
123.11681	12.8
125.09608	34.6
129.06967	13.1
131.08575	13.9
131.73985	6.1
132.22565	7.2
133.10159	14.6
135.11685	9.4
137.05992	12.5
145.10184	13.1
147.11621	13.2
149.09628	6.7
153.12744	62.4
155.10587	13.9
160.89700	7.8
163.11113	7.8
173.11752	100.0
181.08658	15.0
189.11264	31.7
257.19110	12.7
275.20035	52.4
286.18896	7.7
360.15344	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	361.1495
Annotation	Semperoside
Peak:m/z	Relative Intensity
53.03947	3.0
55.05508	3.1
57.03440	1.6
67.05505	1.8
69.03440	7.6
70.06602	3.5
71.05004	2.3
71.50896	1.5
71.51311	2.6
72.08145	5.9
72.79713	1.3
73.02924	1.9
74.06120	1.6
79.05491	4.9
81.03423	5.1
81.07051	2.6
83.01343	1.7
84.04500	1.9
84.08145	6.8
85.02899	11.1
86.09731	4.9
86.21956	1.4
87.04475	1.5
91.05490	4.1
93.07063	4.9
95.04980	9.7
95.08614	2.3
97.02898	5.0
97.06559	1.5
105.07050	2.7
107.04964	4.5
107.08617	7.0
109.02863	3.2
109.06539	3.0
110.06041	1.9
111.08131	1.9
115.09585	1.3
117.06943	1.6
121.06528	2.7
123.04436	5.5
123.08090	4.5
127.03918	16.6
131.04933	2.4
135.08067	5.5
136.07527	1.6
137.05940	7.3
139.03931	2.3
141.05486	5.0
147.04411	3.3
149.05956	2.7
151.03920	4.6
151.07523	5.2
153.05490	4.0
153.09123	1.6
155.08182	4.3
160.56879	1.7
163.07545	3.0
165.05510	3.0
167.07051	5.1
171.06570	3.6
181.06665	1.8
181.08571	13.3
199.09615	100.0
304.48080	1.5
361.09088	3.5
361.13422	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	360.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03444	9.8
53.03940	14.7
55.01862	17.2
55.05508	45.4
55.05722	9.7
57.03439	16.0
65.03886	10.8
67.05504	90.1
69.03423	20.9
69.07055	59.0
69.26650	100.0
71.01339	18.2
71.04980	19.2
79.05484	64.4
81.03407	27.1
81.07047	91.9
83.04972	14.7
83.08598	19.4
85.02866	12.1
85.06540	18.8
85.48203	10.0
91.05474	59.7
93.07029	62.8
95.04970	42.1
95.08595	36.6
96.44798	9.4
97.02915	8.9
97.06520	34.9
97.10168	17.1
98.20815	22.6
99.08104	17.4
105.07010	39.5
107.04936	25.8
107.08589	52.9
109.06506	31.7
109.10128	31.0
111.04411	20.3
111.08091	25.7
113.05963	12.7
117.07029	20.3
119.08542	19.7
121.06523	22.6
121.10152	52.2
123.08064	25.8
125.05932	10.3
125.09612	14.4
130.56490	10.2
131.08502	22.5
133.10156	19.6
135.08063	26.1
135.11710	14.6
135.40846	9.1
145.10023	15.4
149.09583	15.9
152.19730	9.9
153.09052	22.1
157.06532	9.3
157.10074	12.3
161.09549	17.5
165.09042	9.2
167.07011	26.7
167.10706	18.5
173.11655	24.6
179.10713	11.7
181.08534	10.6
189.09058	21.8
193.12254	77.6
200.12839	18.0
204.33434	9.7
238.09457	9.9
271.17038	9.9
273.18588	12.1
285.11328	10.2
289.18057	60.9
291.19525	33.0
307.19037	18.8
314.11072	11.8
342.14154	15.8
360.15314	14.8
360.23734	12.5
368.58264	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	360.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	38.6
59.04964	7.5
67.05504	63.4
69.07053	34.5
70.04751	37.4
71.04993	61.8
79.05499	77.9
81.07047	31.7
83.08612	18.6
91.05481	26.6
93.07047	74.6
95.08595	32.6
97.06548	13.3
97.10165	17.1
105.07034	29.9
107.08601	50.8
109.10176	51.3
119.08602	15.8
121.10156	56.5
125.09631	27.8
133.10123	19.4
149.09563	10.8
153.12741	40.7
159.11676	9.4
173.11737	100.0
181.08620	9.7
189.11208	21.1
210.20622	8.2
271.17044	8.4
275.20096	53.0
360.15302	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	360.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.3
67.04244	1.1
67.05518	1.5
69.03415	3.1
69.07050	2.0
70.06593	1.8
71.08838	2.1
71.09173	1.4
72.08159	7.5
79.05486	2.6
81.03409	3.0
81.07051	1.2
81.54087	1.3
83.04951	1.4
84.08125	2.6
85.02905	9.9
86.09703	38.8
87.10040	1.8
91.05493	3.0
95.04967	2.6
97.02876	3.5
103.04028	1.3
103.05465	40.5
104.05810	1.1
105.07061	1.4
107.04948	3.4
109.02791	1.3
109.06538	1.1
119.04930	1.2
121.06487	2.2
123.04428	1.3
127.03915	3.3
129.10265	1.4
131.04921	100.0
132.05255	3.8
133.02875	4.6
135.04382	2.8
135.08011	1.9
137.05986	7.3
144.06569	1.7
145.04938	3.5
146.58012	1.1
147.04411	4.9
149.06013	5.7
150.06689	1.8
151.03853	1.9
151.07545	1.8
161.05995	1.7
162.06621	1.3
163.03920	9.3
163.06155	2.4
163.07535	30.0
165.05443	3.6
165.06841	1.5
172.15569	1.1
180.10213	3.3
181.04936	4.1
181.06441	1.9
198.11201	3.2
199.18018	6.9
219.58630	1.4
227.17574	1.5
247.12860	2.6
299.09045	2.7
360.15942	1.9
361.18393	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	360.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	11.6
55.01872	9.4
55.05505	21.1
57.03440	14.0
59.05002	16.8
63.33598	6.9
67.05507	58.1
68.51587	6.1
69.03429	17.8
69.07066	68.6
70.04655	23.8
71.01344	9.8
71.04985	40.7
72.04433	6.8
73.02903	12.8
79.05490	65.2
81.03418	31.1
81.07055	73.6
83.04972	15.4
83.08596	8.9
84.02113	15.9
85.06553	8.8
87.02086	7.1
91.05483	55.9
93.07043	45.4
95.04990	31.2
95.08601	20.9
97.02891	7.8
97.06529	100.0
105.07032	20.6
107.08626	14.4
109.06505	11.3
109.10132	10.6
111.08070	8.0
115.07568	50.9
119.08594	13.1
119.18401	6.9
121.06487	8.7
121.10152	11.1
123.08031	9.8
129.07019	11.7
131.07043	15.0
131.08592	14.8
133.10063	12.0
146.53122	7.3
147.11691	14.1
149.09624	7.0
177.12808	7.9
194.13036	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	360.144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.6
55.01853	0.6
55.05506	0.5
59.71209	0.5
68.02096	0.5
69.03402	0.7
69.58839	0.8
69.59159	3.5
70.06606	0.5
72.08135	1.8
79.73273	0.4
81.07027	0.5
83.96253	0.5
84.04494	0.7
84.08103	0.5
85.02886	1.3
86.09686	1.5
89.94569	0.5
91.05477	10.4
91.19152	0.4
93.07033	1.2
95.04967	25.8
103.05469	4.3
107.04955	1.0
107.08574	1.0
108.08885	0.6
109.06500	1.8
118.06575	2.6
119.04940	40.6
121.06478	1.8
123.04426	62.1
124.04706	0.8
127.03901	0.8
136.07515	0.8
137.05949	2.0
145.42795	0.5
146.06012	12.6
147.04417	19.7
164.07060	5.7
165.05466	15.0
172.88683	0.5
178.08635	29.5
181.07283	0.5
196.09688	98.2
197.09975	1.9
197.11632	0.8
198.12051	2.1
215.13829	0.7
360.14401	100.0
361.14813	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	360.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02891	6.4
91.05449	1.3
95.04972	3.2
102.05561	1.5
103.05500	2.0
106.06558	10.9
107.04958	2.4
107.07327	8.0
109.07619	3.5
111.04393	1.5
117.03329	3.3
119.04917	2.0
123.04453	1.6
131.04959	3.1
137.05984	18.0
138.06302	1.5
139.03903	14.1
145.06465	1.5
147.04399	4.6
149.05992	3.8
150.06776	2.1
151.03850	2.0
152.06209	1.4
153.06996	1.7
161.05927	2.8
162.06778	4.5
164.08319	2.6
165.06992	4.9
166.07666	1.6
167.07002	1.2
167.08534	3.4
174.06708	1.7
177.06955	1.3
178.07758	4.7
179.08427	2.8
181.06497	1.7
182.07297	2.2
183.08028	2.7
191.08562	2.7
191.85321	1.2
192.41364	1.2
193.06487	3.6
193.10136	3.5
194.07243	4.5
195.08032	7.8
196.05101	1.3
197.05891	1.3
197.09554	1.3
203.08510	1.7
205.06487	1.4
206.07245	4.7
207.08105	3.7
209.06085	2.1
209.09624	2.8
210.06754	4.0
211.07513	5.0
212.08142	1.3
220.08817	4.2
221.06009	6.0
221.09634	5.5
222.06856	1.7
223.07532	8.7
224.08405	2.9
225.05446	1.7
225.09105	8.2
228.07574	1.8
234.06714	2.3
235.07539	4.8
236.08875	4.0
237.05579	2.5
237.09956	19.4
238.06242	3.9
238.09921	4.4
239.07057	4.1
239.10623	1.8
240.07864	2.9
243.10226	1.9
248.08345	5.9
249.09061	3.7
250.06175	2.0
250.10484	1.5
251.06963	4.5
252.07800	2.5
253.08556	12.6
254.09198	2.6
255.10136	3.4
263.06802	1.4
265.08670	8.0
266.09372	9.6
267.06464	2.1
267.10126	5.9
268.07373	2.8
269.08054	1.6
269.11734	2.1
271.09515	3.6
277.08661	2.1
281.08078	9.1
281.11829	4.2
283.09674	9.0
285.11240	3.9
286.12027	5.7
293.11584	1.4
294.08768	2.6
295.09750	1.7
297.11227	3.8
298.11981	5.4
299.12802	2.7
309.11157	4.6
310.11948	18.0
311.12689	9.4
327.12253	57.6
328.13828	6.6
329.13989	1.9
330.10663	2.4
330.14581	44.7
331.15063	2.0
341.13681	3.0
342.14603	100.0
343.14905	2.8
360.10730	1.5
360.18405	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	359.1699
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
53.03931	1.4
55.01875	1.4
55.05517	1.6
57.03424	2.0
59.59481	1.0
61.02932	1.4
67.05503	1.3
69.03425	7.1
69.84474	6.1
76.96902	1.0
76.98592	0.9
79.05473	2.8
81.03415	3.4
81.07048	1.5
85.02909	23.0
86.09691	1.7
87.04485	1.1
91.05474	4.1
92.99859	1.1
93.07041	6.5
95.04955	2.0
97.02884	5.7
99.04445	2.2
103.05457	2.5
105.07037	7.6
107.04939	1.5
107.08596	16.6
109.02892	2.9
109.10151	1.9
111.08080	2.1
119.08630	2.0
121.06515	1.4
123.04427	1.7
123.08123	1.0
124.50399	1.1
127.03915	14.6
131.04930	4.5
133.10124	19.1
135.11693	18.3
137.05949	3.0
145.04971	3.6
151.03897	1.5
151.07539	1.5
151.11147	2.0
161.09598	8.1
163.07533	1.1
179.07021	2.0
179.10681	31.4
180.10887	1.2
197.08084	9.8
197.11736	100.0
198.12097	3.7
209.05734	1.0
318.86609	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1698
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
53.03951	2.0
55.01856	6.6
55.05499	4.8
57.03412	6.3
61.02910	4.6
62.75301	2.0
62.77230	1.7
67.05483	4.0
69.03430	15.4
70.06581	2.6
70.33712	6.4
70.34068	2.7
71.04960	2.6
72.08153	18.4
73.02891	3.7
77.02509	1.9
79.05499	4.4
81.03426	10.0
81.07037	5.1
83.04980	2.5
84.08133	3.5
85.02901	39.9
85.06510	3.6
86.09712	12.0
87.04460	2.7
91.03929	2.5
91.05451	17.9
93.07018	8.6
95.04972	20.5
95.08605	3.7
97.02892	15.0
99.04452	3.5
103.05436	9.1
105.07054	9.6
105.07648	1.8
107.04942	7.0
107.08585	52.6
109.02860	7.0
109.06493	7.3
109.10159	9.2
111.04427	2.2
111.08054	2.6
112.51575	2.0
115.05437	2.3
117.10217	2.0
119.04936	26.5
119.08576	1.9
120.25494	1.7
121.06511	6.5
123.04424	39.7
127.03912	15.7
131.04898	12.8
133.10139	24.1
135.04384	6.0
135.11684	12.3
137.05965	23.2
137.09586	7.8
145.04930	7.0
146.05986	7.2
146.07121	2.1
147.04382	22.1
149.05946	2.9
151.03883	20.2
151.07507	2.4
151.11163	5.8
152.04158	2.4
161.05986	2.1
161.09590	6.8
163.07507	7.9
164.07098	3.7
165.05469	12.0
167.07057	2.6
175.07574	3.4
177.05466	3.9
178.08682	14.2
179.07045	6.4
179.10632	24.5
181.05000	1.9
187.07454	2.8
194.56638	2.2
196.08008	3.0
196.09712	51.3
197.08009	3.5
197.11720	100.0
198.12042	3.0
201.12395	2.1
219.07932	2.6
229.12000	2.0
257.10223	4.9
266.42990	2.0
291.10129	3.1
311.12714	2.8
341.13794	6.8
359.14606	3.8
360.14395	50.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1491
Annotation	3,3'-bis(3,4-dihydro-4-hydroxy-6-methoxy-2H-1-benzopyran)
Peak:m/z	Relative Intensity
53.03915	3.3
55.01868	10.4
55.05495	4.7
57.03449	2.6
59.65100	2.5
61.22557	3.0
65.03941	3.5
67.05496	14.3
69.03422	6.2
69.07072	4.7
70.06594	3.1
71.51264	4.8
72.08166	20.2
79.05485	13.1
81.03414	5.0
81.07060	25.4
83.04954	3.6
84.08144	4.2
84.20957	2.7
85.02911	8.9
86.09688	16.8
91.05483	30.9
93.07034	3.9
94.04164	4.4
95.04974	41.9
96.16300	2.9
96.70852	2.8
97.02882	9.2
97.06525	9.0
99.04461	3.4
101.53225	2.4
102.04762	2.9
103.05473	37.7
103.32462	3.2
104.26296	3.8
105.07001	8.0
107.04947	10.5
107.08599	7.0
109.02844	3.8
109.06514	67.3
111.04438	5.0
119.04950	25.8
121.06489	3.5
122.03654	5.3
123.04424	5.1
125.05962	4.9
127.03924	18.9
129.07004	7.2
129.10205	3.1
129.20250	3.3
131.04941	60.0
133.06509	5.4
135.04433	7.5
137.05975	100.0
140.73575	3.2
145.06462	6.2
147.04436	23.3
149.06003	3.9
151.03911	66.5
151.05026	5.5
151.07571	12.9
153.05431	5.4
157.06494	6.3
160.05269	3.6
161.05949	9.7
163.07561	18.8
165.05487	16.2
165.06827	4.1
167.07005	4.7
169.08627	3.5
173.05995	3.8
174.06776	5.6
175.07564	11.7
176.08063	3.3
177.05588	7.0
179.07033	35.2
183.06528	4.6
185.05952	3.0
187.07524	10.3
189.09065	8.8
190.75060	3.2
193.04948	3.6
197.08102	30.7
197.11766	8.9
209.06105	3.6
217.08551	6.8
219.07990	5.0
247.07466	3.2
248.08269	3.0
263.10730	3.7
265.08817	4.5
276.07767	3.8
277.08701	3.5
279.10205	4.1
291.10214	10.3
323.12756	4.4
341.13699	19.3
359.14767	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	359.149
Annotation	3,3'-bis(3,4-dihydro-4-hydroxy-6-methoxy-2H-1-benzopyran)
Peak:m/z	Relative Intensity
53.23423	3.3
55.01868	10.9
65.03941	6.6
67.05494	10.5
69.03439	9.2
69.87472	17.9
72.08162	9.0
79.05489	12.1
81.07053	19.7
84.08126	3.5
85.02905	9.3
86.09717	4.5
87.11335	3.5
91.05491	23.7
91.72414	3.5
93.07032	5.1
94.04183	6.8
95.04973	36.7
97.02879	5.4
97.06526	9.9
98.20850	4.6
103.05461	28.9
105.07018	3.7
106.54553	4.2
107.04912	16.5
107.08645	5.1
107.95566	3.9
109.02908	5.1
109.05803	6.5
109.06521	70.5
111.04496	3.8
119.04937	21.3
122.03635	5.4
125.05957	3.4
127.03930	17.8
129.06996	5.5
131.04947	49.1
133.02837	3.6
133.06558	6.2
135.04463	7.9
137.05988	100.0
138.06248	4.3
145.06606	4.2
147.04390	15.4
149.05954	6.9
151.03922	56.0
151.05017	3.9
151.07523	12.7
153.05511	5.4
157.06450	7.2
161.05995	7.5
163.03955	5.1
163.07561	20.0
165.05479	18.2
167.06992	4.1
175.07547	13.9
177.05450	5.5
179.07048	36.6
179.10686	3.2
187.07567	11.6
189.09131	8.4
191.06885	3.5
197.08113	39.9
197.11745	8.5
217.08624	11.2
219.08002	4.7
231.08075	4.2
251.10756	4.1
277.08658	4.8
291.10211	10.4
311.12723	4.2
323.12677	5.4
341.13873	28.3
357.72562	3.8
359.14716	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	359.1488
Annotation	Leptolide
Peak:m/z	Relative Intensity
55.01849	3.2
55.27338	1.1
57.03434	1.8
65.03925	3.6
67.05502	2.3
69.03415	2.0
69.28509	10.4
79.05478	2.4
81.07034	1.7
82.04193	1.8
83.04990	1.7
85.02893	2.1
91.05490	3.3
93.03381	1.5
95.04940	3.2
103.05511	2.0
105.07029	2.2
107.04944	5.2
107.08504	1.3
109.02876	2.0
110.03634	2.7
111.04409	2.3
115.05473	2.1
117.06975	2.1
119.08562	1.5
120.43634	1.2
121.02843	3.3
123.04448	1.8
125.05987	2.4
129.06921	1.7
131.04968	1.4
133.06494	2.5
135.08072	2.8
135.11682	1.5
137.05992	9.8
137.09627	1.5
138.03091	1.6
144.05708	3.2
145.06462	2.2
145.11548	1.2
147.08043	2.0
149.05934	2.6
151.03931	2.3
151.07547	2.5
152.06230	1.4
153.05478	4.0
153.06931	2.0
159.08022	4.4
161.05989	3.5
161.09583	3.7
163.07579	1.8
165.06998	5.2
165.09113	2.6
166.07822	1.9
167.07043	5.5
167.08476	2.6
169.06424	1.4
171.06581	2.7
175.07507	1.5
177.05447	1.3
177.09169	1.6
178.07828	3.8
179.07059	2.6
179.08546	2.2
181.04955	30.3
181.06490	6.8
182.07236	3.1
183.08043	2.4
184.08800	1.5
190.07652	1.4
191.08636	3.3
193.06590	1.5
194.07272	3.3
195.08134	11.2
196.08858	1.7
197.05934	3.8
197.09534	2.7
198.06590	1.3
199.07597	1.3
202.07700	1.4
203.08595	1.8
205.06473	2.2
206.07210	5.0
207.08022	4.4
209.05922	2.8
209.09654	3.5
210.06752	5.3
210.10402	2.0
211.07491	7.6
212.08342	5.8
213.08910	1.7
214.45149	1.2
219.07957	2.6
220.08876	2.7
221.05971	3.1
221.09657	13.9
222.06752	3.4
222.10300	3.0
223.07570	13.1
223.11075	1.5
224.08279	5.5
225.05472	1.5
225.09088	4.8
226.06223	2.1
227.07001	5.5
227.10538	1.9
229.08540	1.9
234.06744	2.6
235.07559	3.6
237.05402	3.0
237.09135	9.0
238.06245	2.3
238.09927	8.7
239.07021	5.5
239.10646	4.2
240.07826	11.0
241.08562	4.6
242.05753	3.6
247.07608	1.9
249.09154	9.2
250.09877	3.0
251.07108	6.9
251.10724	2.3
252.07840	6.4
253.04910	1.5
253.05722	1.6
253.08591	17.9
253.12173	7.6
254.09346	2.2
255.06551	8.2
255.10066	8.1
256.07217	1.6
256.10989	1.6
257.08075	10.7
257.11584	1.2
263.06918	1.3
265.08615	6.7
266.09296	6.7
267.06723	3.0
267.10107	8.2
268.07242	5.4
269.08023	14.3
270.08786	3.2
271.09341	1.4
277.08542	1.7
279.10095	1.5
280.07141	1.3
281.08466	8.5
281.11328	8.5
283.06049	4.1
283.09680	15.1
284.10172	2.3
285.07602	6.2
285.11044	2.2
287.12411	1.4
294.08762	2.0
295.09531	2.6
297.07587	8.8
297.10788	2.0
298.08340	12.9
298.11926	3.8
299.09503	1.6
299.12808	4.7
300.09933	24.7
301.10410	1.5
309.11157	6.0
310.11978	2.9
311.09134	3.3
313.10672	100.0
313.14355	71.4
314.10953	3.2
314.14514	2.2
325.10800	2.4
326.11511	8.8
327.12207	15.8
329.13647	1.8
331.15363	26.5
332.15967	1.9
341.13843	55.3
342.14313	3.2
359.14868	91.0
360.15237	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	359.1489
Annotation	Negundin B
Peak:m/z	Relative Intensity
65.03941	8.5
65.81184	1.3
65.85243	1.4
67.05499	2.5
70.24269	6.2
79.05495	1.8
85.02892	2.5
91.05489	2.4
94.47433	1.6
95.04969	2.3
98.21455	1.7
104.55391	1.5
107.04950	4.7
110.03667	3.5
111.04416	4.6
121.02841	13.7
121.06527	1.9
123.04406	2.2
125.05991	7.3
127.06603	1.4
128.06259	1.6
129.07004	1.6
135.08054	3.5
137.05989	2.4
144.05695	4.8
145.06451	2.2
147.08063	1.6
149.02350	4.1
152.06268	2.4
153.05470	6.8
153.06924	2.4
157.06497	1.7
159.08041	8.7
161.05952	2.2
161.09624	4.5
165.07037	5.9
166.07878	1.9
167.07069	4.7
167.08591	3.9
169.06473	2.3
170.02231	1.8
175.07527	1.5
177.06972	1.8
177.09158	2.2
178.07811	4.3
179.08522	3.2
181.04965	28.9
181.06497	9.3
182.07272	6.4
183.08020	3.8
184.08836	3.2
190.07765	2.0
191.08572	3.7
193.10112	4.1
194.07230	3.2
195.08051	10.0
196.08923	2.4
197.05984	4.6
197.09589	4.5
198.06723	2.1
199.07675	2.3
205.06529	3.4
206.07240	4.5
207.07993	4.6
208.08965	2.7
209.05991	4.7
209.09697	2.0
210.06761	10.7
210.10306	2.5
211.07564	6.1
211.11211	2.1
212.08330	4.5
213.09149	3.5
219.08107	2.7
220.08850	2.8
221.06099	3.0
221.09659	11.4
222.06621	3.6
222.10379	5.0
223.07576	16.2
223.11177	2.1
224.08342	6.0
225.05568	1.9
225.09155	11.1
226.06329	1.7
226.09624	2.0
227.07100	8.3
227.10698	5.7
234.06805	3.2
235.07581	3.2
237.05426	2.3
237.09108	11.2
238.06239	6.2
238.09860	12.6
239.06946	11.1
239.10564	3.0
240.07773	22.1
241.08504	3.1
242.05722	2.8
249.09084	7.8
250.09856	3.2
251.06982	8.9
251.10524	2.4
252.07718	7.2
253.08600	42.9
253.12239	10.5
254.09352	5.5
255.06517	6.5
255.10132	11.4
257.08069	10.8
265.08609	8.1
266.09445	8.6
267.06674	2.0
267.10196	8.9
268.07349	9.3
269.08130	15.7
270.08783	3.4
271.13278	2.3
272.10419	2.2
277.08707	1.9
280.07278	1.8
280.10754	1.6
281.08582	12.5
281.11749	12.4
282.08875	3.1
282.12418	2.6
283.06116	4.3
283.09671	22.9
284.10309	4.1
285.07590	5.3
285.10861	2.9
295.09698	3.9
297.07645	9.7
297.10800	2.8
298.08350	14.3
298.11966	4.4
299.09534	3.0
299.12729	13.7
300.09937	24.2
309.07959	2.6
309.11066	11.0
310.11880	5.6
311.09088	2.9
313.10715	100.0
313.14380	72.4
314.11172	2.9
314.14523	2.1
316.13016	1.9
326.11124	7.3
327.12274	56.2
328.12802	6.0
329.10150	2.4
331.15387	25.4
331.88947	2.0
341.13831	59.7
342.14194	2.8
359.14886	99.4
360.15146	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1486
Annotation	Dehydrodiconiferyl alcohol
Peak:m/z	Relative Intensity
54.47897	1.5
54.86062	1.3
55.01861	1.4
65.03928	5.8
67.11526	1.4
69.03440	2.4
71.20315	3.0
79.05459	1.3
82.04182	2.4
85.02879	2.2
91.05473	3.3
93.03378	2.3
93.12516	1.3
95.04959	2.8
97.06508	2.0
99.54021	1.4
107.04968	4.4
110.03645	3.9
111.04419	3.5
116.06236	1.5
121.02853	14.6
121.06517	1.9
123.04476	1.6
125.05988	4.9
128.06215	1.9
133.02859	1.7
135.08035	5.3
138.03099	2.2
142.02550	1.3
144.05681	2.3
145.06439	3.1
147.04367	1.4
147.07994	1.9
149.02336	3.8
152.06226	2.5
153.05441	6.2
153.07037	1.9
155.06122	1.5
155.87228	1.6
157.06361	1.8
159.08052	6.8
161.05931	1.7
161.09598	3.7
162.06812	1.5
165.07007	8.2
166.07687	2.6
167.07011	5.6
167.08519	4.3
169.06439	3.6
177.06996	1.8
178.07782	3.7
179.08519	3.3
181.03412	2.2
181.04941	30.0
181.06461	6.8
182.07249	4.5
183.08006	4.2
184.08798	2.4
187.07448	2.1
191.08521	3.9
193.06519	2.3
194.07231	5.6
195.08073	13.7
196.08786	1.6
197.05966	7.6
197.09618	4.1
198.06657	2.1
202.07793	1.6
205.06456	3.5
206.07256	3.3
207.08055	6.5
209.05981	4.0
209.09647	4.1
210.06767	10.7
210.10316	2.8
211.07510	8.1
212.08327	5.5
219.08142	2.2
220.08818	2.6
221.06119	3.1
221.09573	15.2
222.06741	5.4
222.10367	4.7
223.07530	15.2
223.11050	2.1
224.08366	5.1
225.09129	7.8
227.07033	7.9
227.10683	4.4
234.06761	3.1
235.07596	3.6
236.08342	2.2
237.05505	1.8
237.09009	10.4
238.06212	3.6
238.09868	10.7
239.06987	10.5
239.10609	3.4
240.07790	22.1
241.08536	4.5
242.05740	4.0
242.09312	2.2
248.08220	2.9
249.08992	11.3
250.09769	3.2
251.07008	9.3
251.10641	2.3
252.07765	8.8
253.08560	37.4
253.12219	13.5
254.09270	6.2
255.06470	9.0
255.10117	11.4
256.10880	1.8
257.08060	12.8
265.08511	7.6
266.09366	7.6
267.06775	3.5
267.10129	9.4
268.07278	7.9
269.08087	18.1
270.08792	5.2
270.12048	2.2
271.13348	2.0
281.08078	12.4
281.11697	16.3
282.09055	1.6
283.06049	4.7
283.09619	21.6
284.10358	6.0
285.07605	5.1
285.11136	2.3
294.08807	2.5
295.09665	3.4
297.07849	7.8
297.10962	3.0
298.08344	12.8
298.11978	5.3
299.12823	12.2
300.09879	26.2
301.10294	1.6
309.11179	8.3
310.11920	2.8
311.09280	2.4
313.10660	96.4
313.14325	64.6
314.11020	3.7
314.14667	3.0
317.57050	1.8
326.11459	6.0
327.12250	53.5
328.12772	3.5
331.15359	23.3
341.13824	53.5
359.14847	100.0
360.15186	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	359.1488
Annotation	Negundin B
Peak:m/z	Relative Intensity
52.59676	1.8
55.01870	2.5
56.12825	1.6
65.03932	4.3
69.03418	3.2
69.80602	7.9
82.04174	2.1
82.61902	1.8
85.02918	3.1
91.05452	3.1
95.04974	2.0
98.16561	1.8
107.04953	5.2
110.03692	3.9
111.04446	3.6
115.05463	3.1
121.02874	8.3
125.05996	3.9
131.04921	2.4
135.04399	1.9
135.08040	3.9
137.02280	1.7
137.05974	21.8
143.04855	1.8
144.05719	4.0
145.06491	2.6
147.04344	2.6
149.02379	3.7
151.07541	4.8
152.06186	2.0
153.05490	4.3
159.08035	6.3
161.05959	6.5
161.09613	4.2
162.66988	2.2
165.05627	2.0
165.07018	6.3
167.07094	4.3
167.08540	4.2
169.06526	2.9
175.07448	3.1
177.07071	1.9
177.08980	2.2
178.07788	4.4
179.08542	3.0
181.04967	26.3
181.06508	6.9
181.08495	1.5
182.07251	2.0
183.08051	2.1
189.06895	1.8
191.08592	3.8
193.06604	2.3
193.08505	3.1
193.10165	2.4
194.07269	5.1
195.08038	9.8
197.05980	6.3
197.09543	2.8
199.11267	2.1
203.08508	2.0
205.06497	2.5
206.07227	3.2
207.08075	6.1
208.08765	2.7
209.05902	4.0
209.09631	4.8
210.06737	8.3
210.10353	1.8
211.07553	7.3
211.11140	2.5
212.08345	4.3
213.09109	2.5
214.06618	1.9
219.08049	2.6
220.08893	3.5
221.05960	5.6
221.09608	12.5
222.06763	3.2
222.10335	4.4
223.07573	14.0
224.08188	4.1
225.05334	2.5
225.09122	8.8
227.07045	5.5
227.10652	2.4
234.06720	3.7
235.07602	2.6
237.05537	2.1
237.09145	12.1
237.42961	1.9
238.06241	4.3
238.09883	10.6
239.07051	9.0
239.10638	3.2
240.07762	16.3
241.08395	3.3
242.05800	4.1
249.09114	6.0
251.07108	5.8
252.07866	6.5
253.08621	29.0
253.12148	9.4
254.05779	2.0
254.09396	5.5
255.06613	6.2
255.10164	10.1
257.08066	11.0
257.11258	1.8
259.48499	1.7
265.08536	9.4
266.09464	5.0
267.06781	2.7
267.10144	7.6
268.07294	6.8
269.08072	12.8
270.08853	2.4
277.08679	3.4
280.11105	1.9
281.08105	12.4
281.11703	10.4
282.09015	2.6
282.12372	2.2
283.06131	4.5
283.09671	18.5
284.10483	4.9
285.07764	3.1
285.11139	3.3
285.14355	2.1
294.09042	2.4
295.09753	6.0
297.07675	8.1
297.11270	4.5
298.08371	12.5
298.11786	3.5
299.12820	7.8
300.09863	21.0
309.11111	9.9
310.12027	5.1
311.09103	3.5
311.12637	2.0
313.10718	99.5
313.14365	62.7
314.11163	4.8
314.14673	3.0
323.12521	2.0
325.10751	2.3
326.11545	7.8
327.12277	45.7
328.12790	4.1
329.13803	2.9
330.14615	4.1
331.15469	19.7
336.67664	2.5
341.13837	61.8
342.14526	14.6
359.14890	100.0
359.23184	16.4
359.73566	4.3
360.15192	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	359.1337
Annotation	Grevilloside E
Peak:m/z	Relative Intensity
53.03931	1.9
55.01866	1.9
67.05505	2.0
69.03408	2.2
71.04992	4.5
71.50939	3.5
79.05477	5.4
81.03392	2.2
81.07050	4.5
85.02897	7.2
86.09709	4.2
91.05478	7.2
93.07027	3.2
95.04967	7.1
95.08607	2.9
97.02914	9.6
99.04423	4.3
103.05457	4.8
105.07022	6.2
105.99884	2.2
107.04947	2.8
107.08590	2.1
109.02882	2.3
109.06507	5.2
111.08073	15.2
119.04931	4.4
121.06490	2.7
123.04430	2.4
123.08070	5.4
126.21288	1.9
127.03917	100.0
131.04916	7.8
133.06474	4.3
135.08124	2.3
137.05968	22.6
147.04385	3.8
149.05930	2.8
151.03896	7.9
151.07561	10.9
153.05502	2.2
161.05971	6.0
162.06761	1.9
163.07513	2.5
165.06995	2.0
175.07523	8.7
177.05478	2.2
179.07037	18.1
179.45985	2.1
191.08516	4.3
194.07173	2.6
195.10225	2.6
197.08093	68.0
205.06444	2.3
207.08171	2.5
219.08076	6.7
220.08926	2.4
221.05914	1.9
237.08984	3.0
239.10580	2.8
247.07413	2.1
249.09279	2.8
251.10695	3.5
253.08469	2.5
265.08536	5.9
279.10168	8.2
291.10101	2.4
297.11243	8.3
299.12631	6.4
308.43781	2.1
309.11456	2.9
310.11908	3.7
311.12677	11.7
331.47925	1.8
341.13666	6.8
359.14627	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1488
Annotation	Dehydrodiconiferyl alcohol
Peak:m/z	Relative Intensity
53.03935	1.7
55.01862	2.3
65.03924	4.7
67.05495	2.6
79.05485	3.8
79.13402	1.3
80.10123	1.0
81.07067	1.1
82.04219	1.5
85.02924	2.7
91.05472	2.8
93.03395	2.0
95.01292	1.1
95.08584	1.4
97.06477	1.5
105.07065	2.0
107.04934	5.1
108.02102	1.1
110.03654	3.5
111.04415	4.4
119.04953	1.2
121.02862	15.3
121.06506	3.3
123.04411	1.8
125.05977	6.4
129.07045	2.2
131.04912	2.7
135.08037	2.8
137.05984	3.4
138.03059	1.3
141.07043	1.5
144.05734	1.9
145.06499	3.2
147.07993	1.3
149.02319	4.7
151.03889	3.3
151.07512	1.5
152.06184	2.8
152.07314	1.3
153.05457	7.7
153.06871	1.7
156.05679	1.2
157.06400	2.3
158.07219	1.4
159.08092	7.0
161.05991	3.0
161.09612	3.6
162.06729	1.9
165.06987	6.1
166.07788	2.3
167.07004	6.3
167.08423	2.9
169.06447	3.3
171.06488	2.4
173.05943	1.3
177.06941	1.7
177.09111	1.7
178.07753	5.5
179.07039	1.3
179.08549	2.8
181.04953	22.6
181.06499	5.2
181.10115	1.3
182.07246	4.8
183.08023	3.9
184.08786	1.9
185.05997	1.9
186.06644	1.5
187.07545	2.0
190.07735	1.9
191.08578	2.8
193.10100	2.1
194.07304	3.7
195.08034	12.1
196.08839	2.8
197.05968	5.0
197.09488	2.2
199.07581	2.4
202.07802	1.7
205.06487	3.1
206.07268	2.9
207.07997	3.4
209.06041	3.1
209.09671	3.0
210.06779	8.2
210.10292	2.3
211.07448	6.8
212.08276	5.9
213.09108	2.2
214.06290	3.1
219.08119	3.3
220.08791	2.4
221.06000	1.4
221.09586	13.7
222.06792	4.7
222.10332	2.9
223.07541	14.6
224.08243	6.3
225.05528	3.1
225.09082	7.1
225.12842	1.3
227.07082	8.4
227.10672	5.4
231.08038	1.7
234.06744	4.0
235.07581	3.3
236.08255	1.7
237.05428	2.2
237.09125	11.6
238.06245	4.2
238.09930	11.4
239.06975	9.0
239.10695	3.5
240.07806	21.9
241.08545	3.3
248.08235	1.5
249.00446	1.2
249.09108	7.6
250.09964	2.0
251.07045	8.9
251.10558	1.8
252.07758	5.7
253.05875	2.4
253.08606	38.8
253.12224	14.6
254.05769	1.6
254.09201	5.8
254.12582	1.3
255.06606	8.4
255.10182	15.2
256.07217	1.8
257.08047	10.1
265.08527	6.9
266.09421	6.7
267.06537	2.0
267.10181	7.1
268.07269	8.9
269.08084	17.2
270.08746	3.5
271.09402	1.3
272.10535	1.6
277.08578	2.6
279.10208	1.8
281.08075	10.5
281.11697	12.2
282.08853	4.0
283.05972	4.0
283.09634	23.7
284.10358	5.1
285.07550	5.4
285.11078	3.3
285.14594	2.6
294.08997	1.7
295.09558	4.3
297.07547	6.4
297.11197	3.7
298.08340	10.8
298.11911	5.5
299.09308	2.0
299.12756	14.5
300.09940	21.3
300.13260	1.6
301.10593	2.1
309.11154	12.8
310.11972	3.6
311.09140	3.1
313.10687	91.2
313.14346	67.6
314.11029	3.3
314.14609	3.2
326.11572	5.9
327.12277	58.2
328.12814	5.2
331.15372	25.5
332.15845	1.5
341.13843	58.3
342.14246	3.4
359.14865	100.0
360.15308	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	359.1332
Annotation	Glucoacetosyringone
Peak:m/z	Relative Intensity
53.03920	3.8
57.43462	3.2
70.96007	6.2
70.96347	6.8
71.04984	5.5
81.07034	4.7
84.79819	3.2
85.02905	6.8
95.04956	6.0
95.08619	5.2
97.02895	11.8
97.94557	3.1
99.04476	6.1
109.06527	4.2
111.08059	16.3
127.03910	100.0
133.06525	6.3
137.55354	3.1
137.56404	3.2
146.02805	3.0
151.07433	5.8
166.27266	3.3
168.28729	3.0
170.97937	3.0
179.07005	12.4
197.08073	59.6
197.57779	3.4
263.05673	3.3
369.54837	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	359.1332
Annotation	Grevilloside E
Peak:m/z	Relative Intensity
51.75637	2.1
53.03943	5.9
55.01861	6.4
55.05502	13.9
56.48285	1.9
56.92387	2.2
57.03426	4.3
61.02908	3.8
67.05486	7.0
69.03429	26.0
69.58521	16.8
70.06573	4.1
70.94964	2.2
71.01340	12.1
71.04968	4.8
72.08134	6.1
79.05500	15.9
81.03436	13.3
81.07051	77.9
83.04965	14.5
85.02894	32.4
85.06532	21.8
86.09682	11.7
91.05455	12.6
93.03378	2.8
93.07040	12.8
95.04952	14.3
95.08607	18.9
97.02901	18.5
98.20815	3.9
99.04462	4.0
103.05470	10.5
105.07027	32.1
107.04982	12.1
107.08572	5.1
109.02868	10.4
109.06509	100.0
109.07269	4.9
111.04433	7.6
111.08047	2.4
115.05450	3.4
119.04934	4.5
121.06496	6.6
123.08067	16.7
125.05957	3.3
127.03905	24.9
129.05498	2.7
129.10222	2.8
131.04926	11.2
133.06485	33.3
135.04393	10.8
135.08020	6.9
137.05968	36.1
139.03860	2.3
145.04912	3.6
145.06506	2.6
147.04372	2.6
149.05940	7.0
151.03899	8.3
151.07529	60.8
153.09111	3.1
157.06387	2.4
161.05994	23.2
163.07524	5.1
165.07004	2.6
167.06987	5.8
175.07458	3.0
177.05495	3.6
179.07028	89.2
181.06364	2.5
189.09204	2.6
197.08090	64.0
198.08411	3.2
210.06668	2.2
215.09129	3.9
221.05975	3.5
223.07561	2.5
233.06448	4.0
238.06007	2.3
249.05510	4.7
253.08485	5.1
255.10165	3.1
257.10208	24.1
265.08691	2.4
269.08240	3.2
280.07278	2.3
281.08093	4.6
284.10388	3.2
297.11099	2.8
309.07462	9.0
332.79263	2.4
341.12518	6.9
359.12802	16.6
359.17239	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	359.1338
Annotation	Grevilloside E
Peak:m/z	Relative Intensity
53.03938	3.6
55.01859	8.1
55.05510	2.9
59.04990	3.6
60.83144	2.6
65.03927	6.3
67.05510	17.1
68.19492	2.3
69.03435	12.6
69.07069	3.3
69.60117	2.5
71.01361	2.7
71.02792	2.7
71.03137	5.9
72.08143	12.7
79.05484	17.1
81.03415	5.4
81.07061	31.8
85.02876	13.1
86.09691	7.1
91.05475	34.3
93.07020	6.8
94.04193	7.2
95.04382	5.0
95.04964	62.5
97.02874	8.8
97.06527	11.4
103.05473	37.3
105.07030	7.9
107.04984	14.2
107.08548	3.0
109.02869	2.5
109.06521	100.0
111.04355	2.4
115.05443	4.3
119.04948	18.7
119.06033	2.4
121.06506	3.1
121.10136	2.6
127.03912	22.4
129.07018	2.8
131.04936	59.7
131.08597	2.4
133.02802	3.7
135.04413	10.0
137.05986	97.0
139.03940	2.9
145.06477	4.5
147.04402	11.7
149.05943	3.2
151.03909	18.6
151.07533	19.6
157.06438	5.1
161.05994	7.8
163.04077	3.2
163.07527	16.9
165.05499	25.9
165.06815	4.7
167.07013	3.1
169.08591	3.7
175.07465	3.8
179.07057	33.9
183.06535	6.5
184.21498	2.8
185.06015	4.5
187.07526	6.2
189.09096	4.9
197.06267	5.0
197.08096	67.6
217.08629	4.6
231.08070	3.5
253.08401	3.2
341.14008	6.1
359.07327	4.1
359.14755	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	357.2997
Annotation	MG(18:1(9Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
55.05516	51.3
57.07083	39.0
65.81488	5.9
67.05509	57.5
69.07072	82.3
69.83147	22.6
69.83558	13.6
71.08620	24.4
79.05489	45.5
81.07058	88.4
83.08622	59.9
85.10169	18.6
91.05464	9.3
93.07047	52.1
95.08604	77.7
96.96791	6.5
97.06529	28.4
97.10165	28.3
98.20741	6.6
98.21284	13.1
107.08598	45.0
109.10149	37.9
111.08107	10.7
111.11676	16.6
121.10134	100.0
123.11717	20.1
125.09624	9.6
135.11702	66.7
137.13330	8.6
149.13232	25.1
151.14842	9.7
157.68666	5.8
163.14821	12.4
165.16446	8.7
177.16457	9.7
191.17938	6.7
202.23802	5.9
247.24203	70.5
265.25278	63.7
283.26349	6.1
339.28937	51.9
357.18698	9.0
357.30118	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	358.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	10.8
67.05503	19.2
69.07065	23.9
71.05000	12.3
71.51283	11.4
79.05475	31.5
81.03427	11.3
81.07052	33.0
91.05484	31.4
93.07023	17.3
95.04947	26.8
95.08599	21.2
97.06524	100.0
105.06995	21.3
107.08591	13.2
111.08074	10.1
115.07547	10.6
117.07011	11.9
121.10143	16.9
130.60757	8.4
131.08556	10.7
159.11623	11.6
235.22571	9.3
305.33740	9.6
310.23380	9.0
313.10492	12.9
322.32767	9.8
350.06741	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	358.3678
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.3
56.14832	0.2
57.07079	7.4
58.06591	0.8
62.06091	0.3
69.07069	0.2
70.06593	13.1
71.08629	3.2
85.10188	1.3
86.06043	0.2
88.07630	16.5
98.20735	0.4
102.09180	4.2
105.03506	0.2
105.94267	0.2
106.08668	9.2
116.59374	0.2
126.14777	0.2
126.21169	0.2
229.21550	0.2
255.17390	0.2
296.33081	0.4
314.34158	0.7
340.35751	6.7
358.36786	100.0
359.21420	0.2
359.37177	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.3
55.01865	12.7
55.05510	81.8
57.03419	10.9
57.07040	7.3
60.84547	5.3
61.01149	5.8
67.05502	36.2
69.03424	12.9
69.07051	22.8
71.51251	8.3
79.05494	46.1
81.03389	11.6
81.07059	100.0
83.04958	16.4
83.08620	48.5
84.08135	62.1
91.05460	22.4
93.07042	29.0
95.04955	18.4
95.08594	15.7
97.02872	9.1
97.10175	80.3
105.07018	24.3
107.04915	5.8
107.08611	33.4
109.06457	8.8
109.10109	13.7
111.04436	12.0
111.08098	9.8
117.07012	11.4
119.08576	24.1
121.06495	12.9
121.10156	19.3
123.07310	7.4
123.08074	65.6
125.09640	50.4
127.02142	9.3
129.07310	6.9
131.08566	15.2
133.10153	7.3
135.04469	10.1
135.08032	14.3
135.11665	11.1
137.09573	6.1
143.08582	5.3
143.10732	5.3
145.10146	11.5
147.11638	6.4
149.09624	8.5
153.07300	6.4
153.09088	11.6
157.10054	5.2
159.11646	6.4
161.09674	5.8
163.11188	11.2
165.09047	6.6
171.10194	5.3
181.12158	9.2
189.11261	55.8
189.40919	5.6
227.12782	7.7
261.42520	5.3
270.16864	5.2
273.18524	26.4
291.19547	80.9
292.20050	10.6
339.19864	10.4
357.20618	52.0
358.16721	32.7
358.20218	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	357.1178
Annotation	1-O-Feruloyl-beta-D-glucose
Peak:m/z	Relative Intensity
50.80294	2.2
53.03941	6.2
55.05476	2.3
67.05503	4.4
69.03425	18.8
69.23721	21.7
71.01352	5.4
71.04974	3.6
77.03899	3.2
79.05502	15.7
81.03421	8.6
81.07079	3.1
85.02916	11.9
91.05492	4.9
93.07063	5.0
95.04967	78.7
96.05316	2.3
97.02887	22.9
103.05473	7.0
105.04494	2.6
107.04961	65.2
109.02888	35.4
109.06522	10.2
121.06527	9.3
123.04426	17.8
125.02358	36.9
125.05975	4.0
127.03918	8.4
131.04974	3.7
132.59198	2.5
133.02882	4.8
135.04422	32.6
149.05923	20.2
149.06757	1.8
151.03908	100.0
153.05527	11.1
159.04424	3.6
165.10216	2.3
177.05475	32.5
177.79135	3.0
195.06561	29.9
196.06982	2.6
213.07530	2.3
339.10556	6.0
357.11722	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	357.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02114	1.7
53.03940	7.0
55.01870	9.5
57.03424	2.7
62.97046	1.7
67.05491	2.3
69.03439	13.0
71.01337	4.5
71.03582	4.3
77.03932	2.8
79.05495	15.3
80.63860	1.6
81.03425	13.4
81.07056	2.7
85.02902	12.2
91.05502	11.0
93.07036	7.2
94.04186	2.4
94.09727	1.7
95.04969	84.3
95.05577	4.2
97.02892	17.8
97.06538	2.4
99.04442	2.3
103.05452	6.7
105.07021	1.9
107.04956	77.0
109.02885	31.1
109.06510	9.3
115.05465	7.1
117.07059	2.3
119.04954	2.6
119.38657	1.7
121.06527	12.8
122.03624	3.9
123.04437	23.2
125.02351	30.3
125.05966	6.6
127.03905	9.1
131.04878	5.6
133.02820	5.5
133.06511	4.0
135.04413	34.9
137.05977	37.6
145.06503	2.0
149.05986	21.4
150.06425	1.7
151.03906	100.0
153.05479	12.1
160.05127	3.2
161.05873	3.7
165.05554	4.3
165.06926	2.2
167.07091	14.4
175.07529	5.3
175.40514	1.8
177.05481	34.1
179.07063	1.9
184.06413	2.4
190.07373	1.7
191.06938	2.8
194.07336	2.8
195.06526	24.7
199.08669	18.9
203.06996	7.8
205.06479	2.5
207.07918	2.6
215.07037	2.7
218.07390	2.9
219.08093	5.0
222.06877	2.2
227.08177	13.9
233.06015	2.2
234.06772	2.3
235.07503	4.6
237.09030	4.3
241.06093	3.3
241.09586	3.7
246.06749	2.7
247.07529	6.7
249.08995	2.6
251.06961	2.2
255.07472	3.3
255.11246	4.0
264.07730	5.2
265.08572	2.7
270.08621	2.4
275.06802	2.2
277.08560	5.4
279.10159	8.7
281.08121	2.3
281.11813	2.2
283.10742	9.3
293.08020	3.2
297.11127	4.9
307.09714	12.4
309.11267	4.1
311.10080	6.1
311.13150	2.6
313.11343	4.5
321.10962	3.4
324.09857	2.7
325.10556	9.8
327.12158	5.3
329.14078	2.5
339.12131	5.8
357.10587	18.6
357.13455	16.4
375.11694	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	356.3518
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	9.7
56.66459	0.3
57.07077	2.2
58.06583	1.0
62.06080	0.5
67.05486	0.6
69.07066	7.5
70.06590	11.9
70.48504	1.0
71.08623	0.8
74.06097	0.4
76.19282	0.3
77.56693	0.3
79.05480	0.4
81.07044	0.8
83.08617	3.6
85.10153	0.6
86.06074	0.3
88.07628	17.9
93.07053	0.4
95.08596	0.8
97.10175	1.5
102.09175	4.7
105.07008	0.3
106.08662	9.0
109.10120	0.4
116.28874	0.3
135.11665	0.5
168.64581	0.3
200.30116	0.3
288.41824	0.3
307.27597	0.3
312.32617	0.6
338.34106	6.5
356.35208	100.0
357.26187	1.3
357.35541	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	356.352
Annotation	Eicosanoyl-EA
Peak:m/z	Relative Intensity
54.48610	0.3
55.05512	8.2
57.07077	1.9
58.06582	1.0
60.09699	0.3
62.06096	0.5
69.06692	0.4
69.07067	7.4
70.06592	11.8
70.12841	1.2
71.08622	0.6
74.06092	0.3
75.08509	0.3
77.66570	0.3
81.07045	0.4
83.08627	3.6
88.07629	15.6
95.08548	0.3
97.10172	1.4
98.20856	0.5
102.09169	4.1
106.07950	0.5
106.08663	7.8
193.59314	0.3
198.33858	0.3
235.81419	0.3
312.32605	1.0
314.37283	0.3
338.34149	6.4
356.35205	100.0
357.35580	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	357.1176
Annotation	1-O-Feruloyl-beta-D-glucose
Peak:m/z	Relative Intensity
51.02369	1.7
52.32713	1.8
52.56161	1.6
53.03944	5.6
55.01862	2.6
67.05495	4.7
69.03435	9.2
71.01347	1.9
71.05013	1.8
71.31526	1.5
71.50447	2.6
71.86292	1.8
76.77287	1.7
79.05485	13.7
81.03404	8.1
81.07065	3.5
83.63999	1.8
85.02905	9.0
91.05493	9.3
93.07027	7.6
95.04961	64.6
97.02881	8.3
97.06476	1.9
99.04475	2.3
103.05475	9.2
105.07038	3.7
107.04952	47.4
109.02872	21.9
109.06509	4.8
113.48661	1.6
118.12759	1.8
119.04883	2.1
121.06493	15.4
122.03629	2.7
123.04449	15.2
125.02383	12.5
125.05998	8.5
127.03917	6.7
129.75687	1.8
131.04935	4.3
135.04410	72.8
137.05975	25.8
149.05969	29.2
151.03894	100.0
152.04260	3.6
153.05467	15.5
161.05983	3.3
165.05501	4.7
167.07054	5.6
170.02196	2.1
175.07573	4.6
177.05441	29.1
195.06543	20.9
203.07036	4.5
219.07997	2.6
235.07378	2.9
258.45010	1.7
262.06326	1.9
264.08008	2.3
265.08658	2.9
278.04678	1.7
279.10199	2.7
297.11111	1.8
307.09509	2.1
325.10770	2.9
339.11877	2.3
357.13141	7.2
370.80640	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	7.8
56.05032	1.7
56.42768	0.8
57.07063	1.1
58.06590	1.3
60.04229	1.3
60.04522	23.7
62.64942	0.7
67.05503	20.3
69.07069	8.0
70.06572	1.4
71.04974	3.4
71.17386	0.9
71.50223	1.4
73.66579	0.9
79.05495	6.5
81.03399	2.0
81.07051	28.3
82.07372	1.9
83.04972	2.0
83.08615	3.8
85.06526	2.3
90.98953	0.8
91.05421	4.4
93.07026	7.6
95.04947	2.5
95.08607	22.4
97.06518	1.7
97.10165	2.0
99.09906	0.8
103.05470	1.7
105.07021	5.8
106.06578	1.4
106.83549	0.8
107.04932	1.9
107.08618	4.9
109.06532	1.2
109.10152	10.5
111.08051	1.8
117.07027	1.5
119.08567	4.1
121.10136	4.3
123.11709	3.0
131.04968	1.4
131.08557	1.6
133.10124	2.5
135.04398	1.6
135.11694	3.6
137.05965	1.6
137.09641	1.7
145.10123	1.6
147.11702	2.8
149.13263	1.2
154.12253	3.2
158.15427	5.2
159.11664	1.4
161.13203	1.8
161.43581	0.9
163.03879	3.7
164.04247	1.1
172.05949	0.8
172.13304	3.0
194.31094	1.0
214.05862	0.9
227.26317	0.9
243.21176	1.1
254.11656	2.1
255.12468	2.0
261.22205	1.8
273.11441	0.9
274.27380	1.6
275.20062	1.3
278.24924	2.0
279.23175	1.9
296.25803	7.7
314.26837	10.5
333.19199	1.7
338.26721	1.1
356.15213	2.3
356.27939	100.0
357.28256	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.2
55.01858	2.7
56.96577	4.9
57.03426	4.0
58.06562	0.8
58.15281	0.9
60.04512	1.5
61.02913	3.3
65.03918	0.9
67.05506	2.2
69.03436	9.9
70.06573	2.6
70.70225	3.2
71.04976	1.2
72.08146	0.9
73.02909	3.1
73.04739	1.9
76.21656	0.9
79.05505	4.4
81.03396	4.5
81.07006	1.0
83.01310	1.0
83.05000	1.3
84.04507	1.1
84.08139	2.5
85.02912	17.9
87.04476	2.6
91.05779	10.1
92.05747	2.0
93.07043	1.4
95.04995	2.1
97.02902	8.2
98.97602	7.7
99.04465	1.9
102.05523	1.1
103.05487	2.6
105.07050	5.8
106.31269	1.0
107.04960	2.4
109.02872	2.3
109.06508	1.6
110.07123	1.2
110.97590	1.4
112.05070	5.3
116.98615	4.1
117.05765	14.8
117.07185	0.9
119.04920	1.0
120.08093	4.3
122.06027	1.8
123.06738	1.2
127.03947	4.6
128.98595	2.2
130.06526	2.1
131.04916	2.3
132.08093	16.8
133.05238	7.4
134.06046	1.3
134.99716	1.4
135.04427	1.2
136.06209	1.0
137.05991	3.6
137.08369	3.4
138.05508	1.4
145.01659	1.1
145.04987	1.9
146.99603	2.2
147.04413	1.8
147.06802	2.6
148.07579	41.1
149.06038	1.2
150.05493	7.5
150.06584	1.8
150.09137	1.8
151.03952	1.4
152.07076	1.3
158.99646	3.6
160.07588	8.4
161.01277	1.2
161.02931	1.4
161.04741	2.1
163.03934	3.1
164.04227	4.8
164.07076	2.3
166.08661	9.6
168.05438	3.3
174.04390	1.1
176.07068	51.2
177.00769	2.4
177.05980	2.2
178.08629	2.0
186.04398	1.8
191.05733	1.2
193.03206	4.2
194.08134	46.7
194.10190	2.7
195.08519	1.1
204.05469	2.0
206.09270	1.8
219.01738	3.1
224.06366	2.5
224.10297	3.1
237.02853	3.2
246.06355	1.1
268.97736	1.0
269.97885	1.8
285.00851	1.2
286.01035	3.7
287.00830	1.0
335.09787	1.0
338.12473	1.1
353.11264	1.3
356.06714	3.2
356.13400	100.0
357.13788	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	355.2839
Annotation	CHEBI:75563
Peak:m/z	Relative Intensity
50.97728	2.9
52.70036	3.0
53.03937	3.2
55.01871	4.0
55.05511	38.1
56.96555	5.4
57.03423	12.0
57.07074	16.3
57.87440	3.0
62.93930	3.3
67.05504	97.5
68.05830	5.7
69.07064	54.7
71.04981	5.7
71.08635	7.4
71.95232	2.8
73.04737	3.7
79.05489	46.7
80.49094	3.0
81.03416	12.8
81.07054	100.0
82.07362	5.4
83.04980	4.3
83.08626	38.1
85.06552	4.4
85.10201	4.5
88.07640	4.3
91.05390	27.3
93.07039	44.0
95.04936	6.2
95.08606	92.8
96.43640	4.0
97.06527	19.7
97.10165	22.8
103.03925	4.4
103.87824	3.1
105.07034	25.3
107.04963	3.6
107.08593	27.1
109.10161	49.4
110.10497	3.8
111.08089	6.1
111.11683	7.5
117.06969	6.2
119.08579	23.4
121.10138	41.0
123.11697	17.6
128.98555	4.9
129.05450	4.8
131.08537	5.8
133.02773	3.8
133.10124	25.2
135.11661	19.8
136.11943	3.5
137.13245	10.3
147.11658	19.5
149.13242	15.3
151.11142	4.7
151.14799	5.4
159.04439	3.7
161.02341	4.3
161.13271	14.7
163.03902	29.3
163.14810	11.8
165.12689	4.1
165.16405	7.4
173.02351	5.5
173.05914	7.3
175.14816	12.9
179.14293	4.4
179.17967	3.2
187.03935	4.5
189.16426	7.9
197.05905	3.5
199.03836	6.8
199.61833	3.3
213.05470	11.5
225.05597	4.8
245.22650	53.6
256.32391	3.7
263.23669	52.0
267.13821	12.0
285.00961	5.0
307.31284	3.4
315.16168	5.4
333.17450	22.7
337.14166	8.2
337.27332	40.4
351.18457	8.6
355.07309	5.5
355.15515	9.6
355.24185	11.1
355.28296	13.8
355.33954	25.0
356.19043	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	355.2839
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
53.03942	2.7
55.01863	1.6
55.05509	38.1
57.03437	17.3
57.07067	10.9
65.03929	3.1
67.05502	81.6
69.07063	47.6
69.82249	9.2
71.04975	3.8
71.08611	6.3
77.73808	1.3
79.05486	26.5
80.15602	1.5
81.07050	100.0
83.04970	2.5
83.08614	34.0
85.06527	2.0
85.10164	4.5
91.05453	22.1
93.07034	35.2
95.04942	2.9
95.08601	90.4
97.06528	13.2
97.10172	22.1
99.08101	4.1
103.03928	2.0
105.07013	13.9
107.08586	24.2
109.10146	46.8
111.08053	4.9
111.11689	6.3
113.09609	2.4
119.08580	16.4
121.10133	29.4
123.08076	2.4
123.11693	24.0
125.09616	3.1
127.11217	2.2
128.66180	1.5
129.05490	3.3
131.08556	2.1
133.10120	18.8
135.11682	18.1
137.09576	3.8
137.13235	8.5
141.12779	2.2
145.10164	2.0
147.11688	11.8
149.13263	15.8
151.11124	2.6
151.14825	4.7
153.12752	2.4
161.13246	14.2
163.14835	12.6
165.12720	2.6
165.16415	7.2
167.14305	2.2
173.13330	1.8
175.14833	12.3
179.14177	2.3
179.17964	4.1
181.15865	1.7
184.04602	1.9
189.16359	7.7
203.17909	2.2
204.86732	1.5
216.11034	1.5
217.19487	2.0
219.21088	1.7
221.22749	1.8
245.22653	45.9
246.23051	2.3
263.23682	48.7
264.24112	2.2
299.02286	1.6
337.27325	30.8
348.42651	1.9
355.28506	19.6
356.18393	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	355.1539
Annotation	6'-Hydroxygaruganin V
Peak:m/z	Relative Intensity
55.05514	2.6
59.85200	1.4
66.48952	1.4
69.69617	6.6
69.70029	2.5
79.05494	3.3
81.07055	1.4
83.04951	2.8
83.08634	2.0
84.08135	1.9
91.05459	2.1
93.07063	2.0
95.04971	1.9
98.09699	1.9
98.21503	2.2
100.11250	4.8
103.05466	2.6
105.07034	2.5
107.04942	5.7
109.06483	2.9
110.93509	1.3
111.04442	2.5
115.05468	3.9
117.03340	1.8
121.06508	2.0
122.03654	2.4
128.07047	1.8
129.07039	2.7
131.04953	5.2
135.04439	4.2
135.08044	1.5
135.24397	1.3
137.05983	45.9
141.11545	1.4
143.04944	1.7
145.02884	2.4
145.06549	3.5
146.03619	2.0
149.05988	2.6
151.03914	1.7
151.07518	9.9
153.07019	1.6
157.06470	1.5
159.08096	1.7
160.05174	1.8
161.06012	11.3
161.09645	1.7
163.03903	17.7
163.07570	5.7
169.06560	1.7
173.05969	2.2
174.06749	3.2
175.07545	15.2
177.09160	1.8
178.07774	3.8
179.08519	2.5
181.06487	2.7
187.07564	4.3
189.05449	2.3
189.07010	3.9
189.09116	3.6
190.07756	2.4
191.06999	2.5
191.08502	7.8
192.09120	1.6
193.08618	6.0
193.10147	1.6
195.08028	3.1
199.07655	1.5
202.07797	12.0
203.08444	4.1
205.06476	7.2
205.10158	1.6
206.07344	6.7
207.08052	4.9
208.08850	3.9
210.14975	2.7
211.07520	1.8
215.08665	2.5
216.09282	2.0
217.06503	4.3
217.10158	13.6
218.07283	6.5
218.66275	1.5
219.08063	22.2
219.98163	1.6
220.08755	5.4
221.05942	6.0
221.09592	4.6
222.06802	1.8
223.07622	4.0
223.11194	1.6
225.09169	3.5
227.08607	2.7
230.07387	2.3
231.08125	8.6
231.10136	2.6
233.05952	8.5
233.09593	5.3
234.06740	20.7
234.10410	6.2
235.07530	10.9
236.08298	11.3
237.09111	6.2
238.09872	2.3
239.10646	1.7
243.08054	2.7
244.08835	6.5
245.05899	2.6
245.09627	36.9
246.06845	2.1
246.10355	4.7
247.07550	23.6
247.11353	2.2
248.08325	23.5
249.05466	4.5
249.09102	27.3
250.06239	4.4
250.09550	3.1
251.06953	8.9
251.10645	10.2
252.07838	2.5
253.08595	8.8
253.11928	1.5
259.07562	4.1
259.11295	1.8
261.05554	2.6
261.09061	9.7
262.06296	17.6
262.09912	18.4
263.07175	7.2
263.10638	12.0
264.07819	17.5
265.08621	16.9
266.09366	3.5
267.06610	2.3
267.10254	4.0
268.10742	2.4
272.08438	2.7
273.09076	24.3
274.09872	14.6
275.06967	7.9
275.10016	1.7
276.07840	12.3
277.08640	56.7
277.12241	20.1
278.09225	8.7
279.06622	7.7
279.10196	38.8
280.10886	3.5
281.08142	16.9
281.11710	4.9
287.10675	8.4
289.08652	3.0
290.09326	23.7
291.10172	21.6
293.08105	15.5
293.11658	4.7
294.08914	12.6
294.11951	2.7
295.09613	5.1
295.13263	4.7
296.10461	18.8
305.11725	88.0
306.12222	6.1
307.09781	9.9
307.12979	2.5
308.10345	12.0
309.11230	72.4
309.14667	4.3
310.11731	3.4
311.12775	100.0
312.13095	5.5
319.13181	3.0
322.12097	7.2
323.12781	19.8
325.10831	5.1
327.12396	3.4
327.16010	4.4
337.10294	3.3
337.14340	55.2
338.14728	1.8
339.12650	1.9
340.13120	6.7
355.12094	3.6
355.15424	83.0
356.15738	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	355.1536
Annotation	(E,E)-8-(7-Hydroxy-3,7-dimethylocta-2,5-dienyloxy) psoralen
Peak:m/z	Relative Intensity
53.03930	10.5
55.01853	11.0
55.05490	10.5
65.03943	3.1
67.05499	41.8
67.35209	2.7
69.03409	5.4
69.07067	14.5
69.26141	19.2
69.26570	11.3
71.04989	4.3
75.54303	3.2
77.03939	3.6
79.05490	74.4
80.06264	7.0
81.03400	14.0
81.07052	35.3
83.04956	7.1
83.08595	5.0
88.09949	3.4
89.03918	4.3
91.05476	58.0
93.07043	32.2
94.07812	5.8
95.04979	19.6
95.08574	13.4
97.06526	100.0
103.05462	6.0
105.03359	4.7
105.07027	39.2
107.04935	9.4
107.08575	12.0
107.96334	3.1
109.02828	4.7
109.06499	4.3
109.36406	2.6
111.08068	3.9
115.05440	20.6
117.06998	12.0
119.04902	3.8
119.08571	25.7
123.04464	2.8
128.06198	11.9
129.07013	29.2
131.04927	7.2
131.08553	16.2
133.02847	24.0
133.06427	5.5
133.10135	25.9
135.04396	7.8
135.11687	5.3
141.06964	12.3
143.04942	7.0
143.08539	6.4
145.02835	5.1
145.06448	7.8
145.10106	3.6
147.04382	8.3
147.08040	4.2
147.11687	21.6
148.08943	3.4
149.05939	10.0
149.13269	3.5
153.06985	6.7
155.06094	3.0
155.08466	4.3
156.50096	3.2
157.06467	19.0
157.10120	16.7
158.10919	5.8
159.04408	12.4
159.11668	4.2
161.02335	49.7
161.05969	9.7
161.09592	4.3
162.03203	4.8
163.03870	31.4
165.06969	6.5
165.12680	3.5
167.08528	3.3
169.06435	6.5
171.04402	10.5
173.02345	37.8
173.05975	16.6
175.03845	8.5
175.07544	4.4
175.11148	17.8
176.11951	54.1
177.12688	9.3
181.06461	10.1
183.04456	4.5
183.07982	4.3
184.05153	4.8
185.05959	18.0
187.03915	59.7
187.07458	5.3
189.05414	3.6
189.09074	10.0
193.12274	7.7
195.08066	6.4
197.05956	12.2
199.03894	49.0
199.07530	26.0
201.05452	5.3
209.06029	5.6
211.07494	9.5
213.03465	5.8
213.05443	92.8
213.08844	5.0
214.05835	5.0
215.06982	7.1
223.07677	3.8
225.05472	38.3
226.06027	3.3
227.07013	14.8
235.07381	3.9
239.07059	26.2
241.08408	6.3
241.12213	17.5
249.05510	3.6
253.08635	8.9
259.09613	5.7
291.13773	3.9
309.14804	13.3
311.12756	13.9
311.15787	3.4
313.14240	10.2
319.13226	13.3
337.14291	70.3
355.11319	5.8
355.15378	66.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	8.9
55.01865	7.4
55.05511	24.6
57.03442	3.6
57.31326	1.8
58.60398	2.3
64.24061	1.8
65.03934	4.1
67.05504	49.6
69.03424	5.5
69.07080	10.1
69.58442	1.9
71.04987	3.9
71.30157	4.7
79.05492	63.8
80.06275	4.8
80.06770	1.8
81.03416	100.0
81.07052	47.1
83.04983	9.6
83.08619	9.8
85.02893	2.1
88.25572	2.4
91.05478	57.4
93.07043	42.0
95.04963	23.2
95.08611	19.5
96.05354	2.1
97.06507	13.5
97.10181	7.5
103.05452	12.5
105.04538	2.4
105.07021	54.1
105.07697	3.8
107.04952	9.5
107.08617	14.3
109.06515	5.9
109.10159	12.1
111.08069	3.0
112.55329	2.0
115.05464	12.6
115.07625	2.0
117.03403	4.0
117.06982	10.1
119.08574	28.4
121.06496	2.9
121.10137	20.4
123.04442	3.4
123.08051	4.3
123.11730	2.1
128.06244	7.8
129.06990	24.6
131.04869	10.5
131.08565	15.2
133.02846	8.0
133.06538	5.4
133.10147	15.5
135.04379	3.9
135.11668	4.4
137.09613	4.1
141.06966	8.4
142.07762	2.6
143.04915	7.0
143.08533	3.1
145.02863	4.6
145.06462	13.7
145.10120	4.5
147.04407	16.4
147.08046	3.7
147.11674	24.6
149.05966	7.7
149.09615	12.6
151.11223	2.3
152.06303	3.1
153.06993	8.2
155.04840	2.9
157.06502	19.0
157.10103	12.4
159.04442	18.1
161.02356	20.4
161.05980	8.7
163.03902	77.0
163.07553	2.3
163.11203	3.3
165.07028	8.8
165.12773	10.0
167.08571	4.5
169.06491	6.6
171.04433	7.3
171.08067	4.1
173.02342	35.7
173.05988	24.4
175.03909	6.3
175.07578	6.2
175.11177	12.1
176.11961	28.4
176.21701	1.9
177.12604	4.9
181.06461	9.1
183.08040	8.1
185.06004	15.5
185.09659	2.5
187.03903	37.6
187.07526	8.3
189.05473	4.8
193.12183	4.9
195.08063	4.2
195.11850	2.3
197.05978	12.0
197.09592	3.3
198.06651	3.7
199.03906	35.8
199.07556	8.7
200.76213	1.9
201.05481	12.5
201.09206	2.8
202.07898	2.0
203.03400	5.7
207.08022	3.3
211.07527	8.0
211.11197	2.6
213.05457	53.6
213.08936	2.9
215.03470	3.9
215.06943	2.9
221.09692	4.3
225.05466	13.8
225.09097	5.1
227.06940	13.3
229.04907	4.5
239.07034	11.7
239.14209	3.7
241.08635	2.3
247.11160	2.0
249.12856	5.6
251.07091	3.1
263.14618	2.1
265.12274	6.8
267.13803	62.8
275.10535	2.5
283.13181	6.5
291.13834	2.6
293.11783	9.2
293.15067	3.8
309.14929	9.7
311.12759	10.7
311.16467	9.9
313.14096	2.4
319.13184	8.3
327.15912	7.6
337.14359	34.6
355.15387	37.0
356.15787	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1538
Annotation	(E,E)-8-(7-Hydroxy-3,7-dimethylocta-2,5-dienyloxy) psoralen
Peak:m/z	Relative Intensity
50.72964	2.6
51.02393	2.4
53.03942	9.9
55.01863	12.2
55.05497	11.0
57.03447	3.3
62.64760	2.6
65.03929	3.7
65.27331	3.2
67.05505	42.0
68.26492	2.5
68.65698	2.4
69.03429	6.5
69.07059	11.5
69.45401	2.9
69.68209	6.8
69.68612	9.7
71.04974	5.3
79.05492	68.1
80.06269	6.5
81.03413	25.4
81.07050	33.1
83.04958	6.7
83.08624	6.2
89.03888	4.7
91.05479	67.1
93.07048	39.1
94.07848	3.3
95.04991	18.7
95.08601	13.6
97.06552	12.4
103.05458	12.2
103.84924	2.8
105.03369	5.3
105.07031	43.8
107.04936	7.1
107.08591	13.3
109.06506	7.3
109.10161	3.9
109.19623	2.9
115.05447	20.7
117.03385	5.1
117.07024	11.3
119.04922	3.1
119.08594	23.3
121.10158	7.9
123.04402	7.0
123.11620	2.8
128.06247	14.8
129.07005	31.4
130.07846	3.8
131.04915	16.1
131.08571	18.1
133.02859	20.4
133.06503	3.9
133.10133	23.3
135.04388	8.0
135.11693	8.6
137.09596	3.2
139.05397	2.8
141.06978	16.9
143.04918	8.2
143.08528	4.2
145.02850	7.9
145.06483	7.5
145.10106	5.7
147.04443	15.2
147.08055	7.6
147.11688	23.2
149.05962	16.7
149.09586	3.7
149.13258	4.8
153.06946	8.0
155.04889	3.9
155.06055	4.9
155.08531	3.3
157.06473	21.0
157.10155	16.4
158.10887	3.4
159.04463	15.5
159.11647	5.5
161.02347	53.2
161.05966	12.0
162.03084	3.2
163.03903	63.2
165.05499	4.5
165.06992	4.2
169.06483	9.2
171.04431	9.4
173.02351	36.3
173.05946	16.1
175.03897	4.0
175.07553	4.6
175.11143	15.6
176.11969	48.8
177.12735	9.5
181.06537	8.2
183.04387	3.9
183.08051	7.8
185.05946	21.1
187.03903	51.6
187.07489	6.4
189.05548	5.7
193.06464	3.3
193.12178	5.9
195.07997	5.0
197.05969	14.4
199.03908	64.9
199.07578	9.5
201.05489	6.1
203.03294	3.1
209.06039	3.5
211.07591	11.7
213.05452	100.0
215.07076	5.6
217.04971	4.2
221.06023	4.4
223.07579	4.8
225.05489	37.7
225.09032	5.1
227.06989	12.7
229.08649	3.8
233.02829	2.8
237.05490	4.0
239.07062	27.3
249.05424	5.7
253.08490	8.0
267.13702	5.5
291.13803	5.1
293.11539	2.7
301.12222	3.5
309.14703	18.0
319.13260	12.3
337.14331	83.4
338.14636	6.6
355.15402	42.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1539
Annotation	Vismione B
Peak:m/z	Relative Intensity
53.05498	0.6
53.44713	0.6
55.01849	2.2
55.05486	2.8
61.53601	0.6
65.03915	0.8
67.05187	0.7
67.05500	9.0
68.63103	0.7
69.03413	0.8
69.07035	1.2
70.67710	1.8
79.05489	4.4
81.03402	3.8
81.07063	4.3
83.04969	0.9
83.08576	1.0
84.92094	0.7
85.06549	0.8
91.05454	7.0
93.07025	2.8
95.04951	2.9
95.08571	3.0
97.06512	2.9
103.05449	1.7
105.07037	3.3
106.47299	0.6
107.04935	1.8
107.08561	2.7
109.06478	1.2
109.10152	4.0
111.04409	1.2
111.23602	0.7
115.05415	3.2
117.06955	1.7
119.08557	2.9
121.06445	1.5
121.10119	1.6
128.06169	3.7
129.07005	4.8
131.04903	1.9
131.08546	1.3
133.06445	2.1
135.08023	1.3
135.11717	0.8
137.05940	2.9
137.09584	1.5
141.06966	2.3
143.04871	1.5
144.05701	1.5
145.06436	3.2
146.03467	0.7
146.07263	0.8
147.04385	1.4
147.08043	1.6
147.11731	1.2
149.05949	2.1
151.07536	1.9
153.06952	2.6
155.04880	1.1
155.08484	1.0
157.06471	5.5
159.04337	0.8
159.08070	1.1
160.05223	1.0
161.05974	15.7
161.09483	0.8
163.03877	3.6
163.07524	2.0
165.05644	0.9
165.07002	3.0
167.07034	2.2
167.08510	1.3
169.06525	3.9
171.04385	4.5
172.05287	0.9
173.06036	3.3
173.09644	0.8
175.03871	1.0
175.07556	11.5
177.06920	1.0
178.07788	1.0
179.08549	1.6
181.06493	4.2
183.04219	0.9
183.07996	1.2
184.05197	1.3
185.05965	9.3
187.03934	4.1
187.07483	2.0
189.05547	3.9
189.07007	1.7
189.09053	5.2
191.08531	1.5
193.06511	1.8
194.07217	1.6
195.07991	1.7
197.05975	6.0
198.06728	1.0
199.03891	7.4
199.07469	3.5
200.04657	8.2
201.05457	7.9
201.09175	1.7
202.07840	1.4
205.06480	2.0
206.07217	2.6
207.08029	2.6
208.08745	1.9
209.05913	1.8
209.09665	0.8
209.16612	0.7
211.03932	3.9
211.07451	5.1
212.08408	0.9
213.05460	100.0
214.05875	3.0
215.06885	1.6
218.07237	1.3
219.08003	1.7
221.06007	3.0
221.09599	1.1
222.06723	1.7
223.07523	2.7
223.11095	0.9
224.08275	1.0
225.05533	3.4
225.09160	1.3
226.06143	4.9
227.03430	5.9
227.06984	6.2
233.06082	1.0
234.06728	1.9
235.07489	3.7
236.08244	2.5
237.05453	1.0
237.09094	1.8
238.06335	0.9
238.09763	0.7
239.07036	6.0
240.07785	2.0
241.08553	1.6
241.12227	1.7
245.06027	1.0
247.07562	1.7
248.08249	0.9
249.09091	3.6
249.12923	0.9
250.06277	0.8
251.06995	2.6
251.10750	1.9
252.07732	2.1
253.08536	3.7
254.09335	1.3
260.08533	1.1
261.09125	0.9
263.06937	2.3
265.08624	2.4
265.12225	1.2
267.06345	1.2
267.10172	1.1
267.13834	4.6
269.11673	1.1
277.08627	2.5
277.12143	1.3
278.09271	0.9
279.06802	1.1
279.10077	1.8
281.08051	1.1
283.13440	1.5
291.13657	1.3
293.08044	3.1
293.11603	1.4
294.08838	1.6
295.09698	1.8
295.13309	4.4
296.10126	0.8
297.11185	1.2
299.12720	0.9
305.08032	1.0
305.11557	0.9
309.11218	2.8
309.14865	7.2
310.08539	0.8
311.12833	7.3
311.16318	1.2
312.09399	0.9
313.14352	1.9
319.13226	2.1
323.09155	2.7
323.12570	1.6
325.10681	4.5
326.10953	0.7
327.12146	1.5
327.15753	1.0
337.14331	54.3
338.14725	3.0
352.14758	0.7
355.11682	5.7
355.15430	38.2
356.15707	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1539
Annotation	3'-Methoxyglabridin
Peak:m/z	Relative Intensity
56.25264	0.6
69.03395	0.6
69.72874	4.2
69.73264	1.3
72.90733	0.6
78.04702	1.6
79.05482	2.4
81.03368	0.9
82.90861	0.6
84.42918	0.7
91.05470	7.4
95.04954	1.5
98.20853	1.5
103.05457	2.4
104.06238	1.4
105.07050	8.1
106.04135	1.6
107.04926	3.8
115.05454	8.8
117.02229	0.7
117.07016	5.4
118.04144	0.9
119.08591	7.1
123.04420	4.6
124.05208	1.5
125.02532	0.9
128.06232	3.0
128.35919	0.7
129.07010	6.8
131.04956	2.7
132.05698	7.0
133.03088	0.8
133.06494	7.6
137.05968	1.6
141.06990	13.3
145.06465	3.5
146.07236	0.8
147.08047	19.2
151.07542	0.9
152.04675	1.2
155.06053	0.9
157.06462	2.0
158.07272	1.2
160.05197	5.5
161.05972	14.0
161.09627	0.7
163.03873	1.9
167.07039	55.9
167.16699	0.7
168.07358	1.7
168.41103	0.8
169.06490	17.9
175.07547	100.0
175.16750	0.7
176.07854	2.4
178.07658	0.8
185.05991	1.4
186.06853	1.3
187.07513	2.3
189.09081	3.7
191.07043	2.8
191.08574	0.8
192.07207	0.9
193.08627	26.1
201.05533	1.4
201.09120	8.2
203.08667	0.8
219.07959	1.1
237.09186	1.1
241.12177	0.9
249.09233	1.0
263.10522	1.4
265.08716	0.8
276.07849	0.7
277.08438	0.8
279.10153	0.7
291.09946	1.4
293.08060	1.9
295.09933	0.8
295.13150	0.9
309.11169	0.9
311.12634	1.7
323.09177	1.2
323.12814	2.1
325.10779	2.1
355.11993	1.4
355.15448	21.1
356.15793	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1172
Annotation	Hinokinin
Peak:m/z	Relative Intensity
53.03937	4.3
59.76062	2.9
65.03944	16.2
67.05492	3.4
69.03397	4.6
69.21032	35.4
69.38303	3.2
73.04752	2.8
79.05479	7.7
79.78168	3.2
80.90707	3.1
81.03426	5.7
82.04168	4.3
84.08144	3.2
85.02902	8.8
91.05462	6.9
93.03412	7.8
93.07044	4.6
95.04964	23.5
97.06549	3.7
98.21462	7.9
101.55687	3.0
101.89092	2.9
103.05471	3.5
105.07027	11.9
107.04963	7.0
108.08113	6.0
109.10217	3.1
110.03679	12.5
111.04438	20.2
115.05460	10.4
117.07046	4.1
119.04976	4.9
123.04455	10.7
125.06010	12.8
128.06232	3.9
129.07005	9.3
131.04939	6.6
133.06497	8.7
135.04443	6.3
135.08069	4.7
137.05984	12.2
139.03886	23.4
141.06995	3.8
145.06464	13.7
147.04477	4.4
151.07536	6.3
153.05463	47.5
155.37096	3.7
157.06496	9.7
159.07932	3.1
161.05962	40.3
163.03911	27.1
165.05634	4.1
165.06999	9.3
167.07053	6.1
167.08481	4.2
171.04346	9.1
171.06508	7.6
172.05322	4.8
173.06096	7.6
175.07600	16.0
175.09012	3.2
178.07758	9.0
179.08543	6.8
181.06516	5.3
183.06552	10.3
185.05980	81.8
189.07019	9.9
189.08998	4.7
190.07809	5.8
191.08577	22.0
193.05005	4.0
194.07269	13.5
195.07970	5.4
200.09302	3.5
201.05421	8.9
202.07864	5.7
203.08591	4.0
205.06503	14.1
206.07227	6.8
207.08107	11.7
208.08884	4.0
209.09744	6.4
211.07544	7.4
213.05518	3.9
215.07077	6.1
218.07278	12.0
219.08060	30.2
220.08813	4.8
221.06046	13.5
222.06737	17.8
223.07474	7.6
224.08189	3.5
231.08128	6.7
233.06168	5.4
234.06804	9.2
235.07558	13.7
236.08382	10.1
237.09143	37.9
239.06961	5.1
241.08774	3.4
246.88835	3.7
247.07681	16.8
248.08398	4.7
249.09111	9.3
250.06271	12.4
251.07077	11.7
251.10771	3.2
252.07748	6.0
253.08723	4.2
262.06332	6.6
263.07056	12.8
264.07809	8.7
265.08615	25.1
266.09381	4.6
267.06561	12.1
275.07169	4.9
276.07715	6.2
277.08655	12.7
279.06641	7.5
279.10046	3.3
280.07465	7.4
280.10858	3.3
281.08218	4.3
282.08859	5.0
285.00958	4.8
293.08063	59.8
294.08643	9.2
295.09735	10.6
297.11176	55.5
305.08032	13.0
305.11319	4.5
309.11093	5.9
310.08429	7.1
311.12717	9.5
323.09158	14.0
323.12689	5.6
325.10684	100.0
327.12332	9.2
337.10587	18.9
337.14301	6.0
355.11679	27.5
355.17355	21.9
356.13214	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	354.3366
Annotation	Anandamide (20:l, n-9)
Peak:m/z	Relative Intensity
55.05500	12.9
56.05032	2.5
57.01029	1.9
57.07085	13.2
57.69011	2.0
58.06600	17.0
60.04510	10.1
67.05489	8.4
69.07076	15.8
70.02930	2.9
70.06581	8.1
71.04969	3.2
71.08620	8.6
74.21993	2.5
79.05491	5.2
81.07042	14.2
82.06574	3.0
83.08606	9.0
84.08114	6.0
85.10165	3.3
86.06060	4.2
87.06841	2.2
93.07006	2.7
95.08610	14.6
97.10135	5.7
109.10158	3.1
111.11684	2.9
123.11700	3.8
137.13316	3.5
268.29932	4.9
294.31506	4.2
307.29565	3.4
326.34058	2.7
328.94843	2.1
336.32611	14.3
354.33664	100.0
355.27881	3.0
355.33932	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	355.1176
Annotation	4'-O-Demethylsuchilactone
Peak:m/z	Relative Intensity
53.03954	4.4
53.43737	3.0
55.01867	16.8
55.05504	13.3
57.03435	5.6
65.03959	7.8
67.05505	26.5
68.02660	3.2
69.03423	4.7
69.07066	4.0
70.48202	4.2
70.48536	8.8
71.95219	2.9
79.05496	31.5
79.74496	3.3
81.03420	51.1
81.07068	24.1
83.04976	12.8
83.08624	5.1
91.05462	31.7
93.07040	22.3
93.72976	3.0
94.04163	4.1
95.04950	19.0
95.08608	12.5
97.06525	31.5
98.65891	3.4
99.56380	3.1
103.05471	8.3
105.07027	26.3
107.04954	10.9
107.08600	9.8
108.02119	6.3
108.89239	3.1
109.06493	4.8
109.10162	6.1
111.04440	20.3
115.05476	16.9
117.07001	10.8
119.08585	17.7
121.02894	3.3
121.06573	5.2
121.10156	13.8
123.04417	4.4
123.08069	3.5
125.06104	3.6
128.06250	5.1
129.07018	11.2
131.04919	10.2
131.08594	8.0
132.05714	7.6
133.02864	3.8
133.06500	7.5
133.10121	7.4
135.04408	6.0
137.05998	15.0
139.03868	5.5
141.07014	9.5
143.04933	7.9
143.08575	3.6
145.06516	15.8
147.04407	9.7
147.08022	15.2
147.11710	10.5
149.05896	4.7
151.03888	9.6
151.07553	4.7
152.06172	6.1
153.05496	11.3
153.07028	11.1
155.08571	3.7
157.06499	12.4
157.10149	4.6
157.83118	3.0
159.04404	8.7
161.06006	17.6
163.03922	36.5
165.05562	6.9
165.07004	21.5
165.12758	4.1
166.07773	11.2
166.82280	3.0
167.07045	28.4
167.08372	5.5
169.06479	13.0
171.04396	15.1
171.08029	8.8
173.02339	8.6
173.05960	22.2
175.04033	5.2
175.07539	56.5
177.05504	4.2
177.07013	5.7
178.07758	21.1
179.08560	17.4
180.05692	3.7
181.05087	5.2
181.06387	17.1
183.08072	13.2
184.05226	3.5
185.05931	11.5
186.03026	4.6
186.06735	9.3
187.03970	10.8
187.07573	14.5
189.05414	11.0
189.07030	14.2
189.09126	3.8
190.07788	4.2
191.07030	11.2
191.08577	5.5
193.04900	8.9
193.06554	4.7
193.08627	8.2
194.07227	18.2
195.08112	16.4
197.05981	10.5
197.09734	4.9
199.03957	13.9
199.07532	16.7
201.05466	31.4
201.09137	10.2
202.07828	6.4
203.07014	6.9
203.08694	6.0
205.06462	22.9
206.07204	16.4
207.08044	21.9
208.08881	6.4
209.06039	6.0
209.09517	8.7
211.07614	19.4
212.08344	4.7
213.05472	17.3
213.09050	5.5
215.07042	14.1
216.07832	6.4
217.04924	8.9
218.07382	4.0
219.08072	23.4
220.05286	4.2
220.08914	3.8
221.06023	16.8
221.09648	9.0
222.06789	24.2
223.07538	16.0
224.08284	12.9
225.05519	10.0
225.09088	9.8
226.06248	8.7
227.07066	10.8
233.05992	16.2
234.06732	18.2
235.07549	29.6
236.08321	20.8
237.05499	6.4
237.09120	21.0
238.06430	4.2
238.09804	4.8
239.07059	20.9
239.10733	6.7
240.07759	3.9
241.08548	9.1
241.12262	6.3
246.06897	5.9
247.07492	18.6
248.08281	8.6
249.05537	5.3
249.09151	16.2
250.06346	17.4
251.07059	31.1
251.10661	10.2
252.07773	13.1
253.08604	14.7
254.09349	5.7
259.09686	4.9
261.05536	5.8
262.06287	10.8
263.07004	18.0
263.10260	4.6
264.07794	10.9
265.08591	58.2
265.11691	5.4
266.09381	11.6
267.06519	12.6
267.10150	15.0
267.13828	55.5
268.07141	3.6
269.08185	9.4
269.11652	15.1
277.08670	28.3
278.09167	5.0
279.06586	11.5
279.10184	14.8
280.07318	9.1
281.08066	11.4
281.11343	5.1
282.08987	8.8
283.09756	4.3
283.13507	4.9
287.08994	7.9
291.09750	5.8
292.07117	3.5
293.08081	27.8
293.11505	8.1
294.08765	9.5
295.09604	32.0
296.10110	4.3
297.08102	6.4
297.11191	31.4
299.12616	4.4
305.08096	6.7
305.11707	4.5
307.09860	5.2
309.11188	14.2
309.14960	9.6
310.08350	15.1
311.09091	9.2
311.12769	22.0
311.16394	5.9
313.14407	6.6
322.08481	4.3
323.09070	42.0
323.12524	8.3
324.09637	5.1
325.10684	83.8
326.11020	5.1
327.12305	32.4
327.15906	5.6
337.10635	31.3
337.14407	20.2
355.11719	100.0
355.15460	65.6
356.12149	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	354.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97668	0.9
53.03923	1.0
55.01857	2.0
55.05511	9.0
56.05016	1.2
57.03425	1.2
57.07058	2.1
60.04511	3.2
65.03937	1.0
67.05504	10.0
69.07058	3.7
70.12696	0.8
70.72655	2.9
71.08627	2.6
79.05495	6.4
81.03408	3.4
81.07057	10.7
82.06574	1.8
82.53046	1.1
83.04970	2.0
83.08609	3.6
91.05473	3.5
93.07047	6.2
94.06588	1.9
95.04955	2.3
95.08588	5.8
97.06517	4.2
97.10163	1.1
99.08092	1.5
100.11253	100.0
105.07013	4.1
107.08585	4.3
109.10133	3.3
110.81656	0.9
111.08099	1.3
114.07233	0.9
117.34515	0.9
119.08588	2.2
121.10114	2.3
123.11667	1.5
125.09604	1.9
133.10114	1.8
135.11632	1.3
142.12267	23.9
147.11630	2.7
150.12837	1.2
152.14366	1.3
154.12212	1.5
157.10184	1.4
161.13167	1.1
163.03867	1.3
167.10657	2.6
172.13414	1.0
177.12717	1.5
187.03972	1.3
199.03882	1.2
213.05534	1.5
259.20547	3.4
267.13840	2.2
272.64590	1.0
274.21439	1.1
276.23154	4.9
277.21518	9.9
285.01105	1.1
294.21075	1.4
294.24249	19.9
295.22763	1.4
308.25751	3.0
312.25412	1.2
318.24258	1.9
336.25330	11.0
337.14285	1.6
354.26358	19.0
355.07077	1.4
355.15274	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	353.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.4
55.05506	14.2
57.03415	4.0
57.07066	4.3
58.10918	1.6
65.03937	2.7
67.05506	71.2
67.20812	1.7
69.07073	9.1
69.31371	11.3
69.31799	5.7
71.04969	3.9
75.04454	1.9
79.05077	2.7
79.05495	38.5
81.07056	85.6
83.08603	6.9
85.06534	3.3
91.05479	23.5
93.06493	3.4
93.07044	54.3
95.04959	3.3
95.08611	60.9
97.06505	3.3
97.10161	3.0
98.66196	1.9
99.08086	2.7
105.07019	15.0
107.08592	34.2
109.10156	34.7
117.07011	8.5
119.08564	14.9
121.10140	31.1
123.08039	2.3
123.11703	17.7
131.08568	21.3
133.10143	11.7
135.11691	24.0
137.13220	5.7
137.14148	1.7
145.10129	15.2
147.11641	8.9
149.13280	21.3
151.14828	2.6
159.11697	13.1
161.13304	9.3
163.14792	13.1
167.46509	1.7
173.13223	18.4
175.14839	4.5
177.16441	5.2
187.14865	8.6
191.14326	3.4
210.82808	2.1
233.22647	3.0
243.21094	20.6
261.22137	100.0
262.22498	3.3
279.23199	3.7
294.88931	1.6
335.25702	5.5
353.26871	22.7
354.27832	2.3
366.71561	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2685
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03934	3.9
53.83957	3.6
55.01869	5.9
55.05513	47.2
57.03442	21.7
57.07071	8.6
67.05505	84.2
69.03426	3.7
69.07071	53.1
71.04993	5.7
71.08636	36.9
71.52218	3.3
72.08147	5.2
79.05486	52.0
81.07055	100.0
81.07539	5.0
83.04987	8.6
83.08614	32.1
85.06537	5.1
91.05466	20.6
93.07041	60.1
95.04996	4.4
95.08608	76.4
95.09190	6.6
97.06534	13.3
97.10159	26.1
99.08092	29.9
102.60501	3.8
105.07030	18.7
107.04930	3.2
107.08595	39.6
109.06475	4.2
109.10152	43.5
111.08114	4.7
117.07018	9.2
119.08556	14.2
121.10135	28.6
123.08067	4.5
123.11704	13.1
125.09617	15.0
127.11185	3.2
131.08600	14.4
133.10132	12.5
135.08076	5.5
135.11673	31.2
137.13300	6.3
137.27823	3.3
145.10135	7.4
147.11690	17.3
149.13210	15.2
150.97693	3.2
151.14845	5.6
153.12753	5.9
156.57230	2.8
159.11682	5.1
161.13283	8.6
163.14833	11.6
165.12761	8.0
167.14398	3.4
173.11862	5.6
173.13268	9.3
177.12733	4.2
177.28886	3.0
179.14316	4.1
187.14880	6.4
189.11203	9.8
189.12749	3.3
202.15933	16.4
233.22746	4.3
243.21004	15.6
261.22119	41.6
269.40878	3.4
279.23163	27.0
280.22827	3.6
300.13593	11.8
306.07422	2.9
353.26944	63.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2685
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03932	4.5
55.05513	14.9
57.03421	6.7
57.07069	6.7
67.05508	99.6
69.07063	13.6
70.65274	6.0
70.65643	5.7
71.04996	3.6
79.05492	39.5
81.07058	98.3
83.08617	8.8
85.06538	4.0
87.99107	2.6
91.05493	16.5
93.07046	53.4
93.54269	2.8
95.08611	81.5
97.06510	3.3
97.10151	4.4
105.07042	18.2
106.88770	2.5
107.08599	34.7
109.10167	40.8
111.08059	4.2
117.06983	7.4
119.08565	12.4
121.10164	31.7
121.91912	2.8
123.11725	24.5
131.08578	24.9
133.10136	12.3
135.11710	24.4
137.13220	8.1
145.10150	12.6
147.11673	7.0
149.13295	19.2
151.14859	2.8
159.11726	11.0
161.13268	10.0
163.14825	11.5
173.13240	16.7
175.14799	4.5
177.16418	4.6
187.14830	9.4
213.91605	2.7
216.81958	2.6
243.21138	22.0
244.86153	2.6
246.06480	2.7
261.22153	100.0
279.23169	9.6
335.25946	13.4
353.26807	24.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2683
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
55.05508	13.3
57.03427	6.2
57.07072	4.1
64.49198	2.0
65.03933	4.1
65.06693	1.9
67.05501	87.0
69.07056	16.2
69.83689	11.7
71.08633	2.7
79.05486	51.5
81.07052	100.0
83.04977	3.8
83.08615	10.8
85.06552	6.0
91.05473	30.6
93.07039	72.0
95.04946	3.8
95.08602	76.5
97.06510	4.0
97.10163	3.8
99.08072	2.4
105.07012	21.8
107.08591	47.0
109.06512	2.5
109.10151	36.3
111.08076	3.5
111.11690	2.3
113.09593	3.1
117.07015	8.0
119.08572	15.3
121.10131	34.8
121.67574	2.2
123.08014	2.5
123.11708	18.3
131.08557	21.9
133.10147	13.9
135.11696	29.2
137.13263	8.8
145.10098	17.6
147.11708	13.1
149.13258	24.4
151.14824	3.4
153.12677	2.8
159.11693	13.6
161.13254	13.9
163.11198	2.4
163.14780	14.8
173.13232	18.9
175.14822	5.0
177.16351	6.9
179.14417	2.7
187.14845	11.2
191.14320	3.4
201.16304	4.2
205.32785	2.4
215.18082	2.7
217.19426	3.0
222.51497	2.1
233.22621	4.6
243.21082	36.8
261.22110	97.9
262.22479	2.3
274.78174	2.5
279.23218	6.2
300.68472	2.5
330.07764	2.4
335.25729	14.0
353.26791	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	353.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.2
55.01856	1.7
55.05513	14.2
55.75817	1.8
57.03444	2.5
57.07066	5.3
60.91845	1.8
60.98542	1.8
65.03925	3.6
67.05503	86.6
69.07062	15.0
70.48492	6.1
71.04988	2.5
71.08623	4.3
79.05489	49.8
81.07053	100.0
82.23469	1.9
83.08604	7.6
85.06540	2.6
91.05482	23.4
92.58920	2.0
93.07041	64.8
95.04972	4.6
95.08603	74.4
97.06500	2.5
97.10174	4.0
98.21459	2.2
99.08089	6.1
102.11532	2.1
105.07030	16.0
107.08583	37.5
109.10166	27.1
111.08105	3.6
113.09636	3.0
117.07031	12.0
119.08588	13.1
121.10136	32.7
123.11672	14.5
131.08583	22.3
133.10117	9.6
135.11685	24.6
137.09509	2.5
137.13243	9.1
140.65860	1.8
145.10118	14.0
147.11664	10.7
149.13258	23.2
159.11728	11.3
161.13231	11.1
163.14815	13.7
173.13243	17.6
175.14751	3.9
177.16376	5.4
181.12105	1.9
187.14748	10.2
191.14412	2.2
201.16418	2.9
225.48347	2.1
233.19034	2.1
233.22682	6.5
243.21071	30.2
261.22128	74.5
279.22879	3.2
315.10477	2.1
335.25958	9.8
353.26669	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	353.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	2.2
55.05518	13.2
57.03426	4.4
59.10284	2.9
67.05504	89.2
69.07059	10.4
71.35314	3.1
79.05492	40.0
81.07052	98.0
83.08616	6.4
91.05486	21.7
93.06492	3.8
93.07045	53.1
95.04966	3.8
95.08602	64.7
99.08069	3.5
105.07010	19.2
107.08576	43.6
109.10149	31.6
112.04128	2.4
117.07020	12.0
119.08591	12.5
121.10139	30.1
123.11701	16.5
131.08539	25.3
133.10109	13.1
135.11690	32.3
137.13260	7.6
145.10112	18.0
147.11661	8.6
149.13245	24.7
159.11703	18.1
161.13258	10.1
163.14836	14.0
173.13272	18.6
175.14854	6.0
177.16360	3.9
187.14857	7.3
191.14191	2.7
201.16440	3.9
211.49196	2.5
233.22697	4.6
243.21056	21.4
261.22107	100.0
335.25873	9.8
353.26862	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2683
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
55.05507	16.3
57.03428	5.3
57.07048	2.9
57.44701	2.7
65.03928	4.8
67.05133	4.7
67.05502	93.9
68.98040	3.0
69.07062	14.9
69.63528	10.5
69.63946	7.0
71.04987	2.9
79.05492	39.9
81.06598	5.5
81.07053	92.4
83.08591	6.3
91.04967	2.4
91.05466	17.8
93.06484	3.9
93.07041	46.9
95.04953	3.1
95.08604	72.1
97.06534	4.2
97.10170	4.9
97.38393	2.7
105.07005	13.7
107.08584	33.8
109.10143	39.4
117.07029	7.2
119.08562	16.2
121.10117	30.5
123.11713	20.9
131.08543	17.1
133.10101	16.4
135.11673	24.5
137.13248	6.1
145.10103	14.0
147.11636	10.1
149.13274	24.0
153.12759	4.0
159.11685	14.3
161.13234	7.6
163.14751	7.3
173.13231	14.3
187.14862	9.3
207.64552	3.2
243.21077	28.3
261.22128	100.0
262.22522	6.0
279.23245	5.0
335.25836	12.3
353.26907	26.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.2
55.01866	2.5
55.05503	15.7
55.91014	1.6
57.03420	4.7
57.07071	4.7
65.03931	2.7
67.05503	89.6
69.07069	16.0
70.01924	9.2
71.08620	2.2
79.05490	44.9
80.65892	1.7
81.07053	98.4
82.07382	2.0
83.04971	1.6
83.08628	8.8
85.06544	3.2
91.05470	20.7
92.77401	1.8
93.07040	62.1
95.04943	2.5
95.08604	72.9
97.06516	6.9
97.10178	3.8
99.08099	3.2
100.55083	1.5
105.07028	21.3
107.08582	39.1
109.06512	2.0
109.10153	35.3
111.08090	2.9
113.09645	2.0
117.07037	10.0
119.08559	16.4
121.10137	41.5
123.08025	2.1
123.11700	16.7
131.08557	20.5
133.10110	18.5
135.11684	30.9
137.09610	3.5
137.13261	9.0
139.11162	1.6
145.10115	17.8
147.11664	11.2
149.13243	23.9
151.11256	1.9
151.14812	2.3
159.11693	18.0
161.13234	12.5
163.14822	17.4
173.13239	16.9
175.14807	4.1
177.12772	2.6
177.16402	7.6
179.14336	3.4
187.14767	10.3
191.14407	2.2
201.16364	3.3
205.15828	2.6
233.22522	4.5
243.21071	41.3
261.22122	100.0
262.22571	3.2
279.23160	3.8
335.25848	12.5
353.26987	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	353.2683
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03929	3.8
55.05505	13.3
57.03426	5.9
57.07065	4.9
57.35364	1.9
65.03938	2.7
67.05504	86.1
69.07067	11.4
69.32570	16.2
71.05032	1.8
71.08635	2.2
72.84830	1.7
75.52919	1.6
76.51228	1.9
79.05492	39.5
81.07053	100.0
83.04979	1.7
83.08601	4.8
85.06536	3.1
90.06146	2.0
91.05478	19.3
93.07040	51.2
95.04965	2.5
95.07993	3.3
95.08604	64.9
97.10147	2.9
105.07023	14.4
107.08587	36.4
109.10151	36.2
117.07015	7.3
119.08578	10.7
121.10137	27.7
123.11710	19.5
130.64919	1.9
131.08568	17.8
133.10112	9.2
135.11687	21.5
137.13271	6.7
145.10098	14.2
145.59947	1.9
147.11678	8.0
149.13240	16.8
151.14783	2.8
159.11693	10.8
161.13289	5.7
163.14789	11.0
173.13220	14.4
175.14835	2.7
177.16417	3.5
187.14856	7.6
201.16437	3.5
205.15797	2.3
233.22737	3.0
243.21088	17.4
261.22116	72.5
262.08896	2.1
279.23151	5.4
335.25781	9.3
353.26929	15.2
355.55579	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.9
55.01860	4.3
55.05502	8.6
57.03410	3.1
57.07071	3.5
60.72123	2.6
67.05242	2.0
67.05508	22.4
69.03416	4.5
69.07070	11.1
71.04993	22.2
71.18222	2.6
72.28038	2.3
79.05496	18.2
81.03419	3.7
81.07057	31.3
83.04972	3.1
83.08620	7.1
85.06570	4.6
91.05481	21.3
93.07036	23.4
95.04965	47.5
95.08607	25.9
97.06521	8.4
97.10165	2.6
98.20753	6.6
99.08072	2.5
103.05411	2.8
105.03348	2.5
105.07019	33.7
107.08606	35.6
109.06537	13.6
109.10137	20.2
111.08134	3.7
115.05412	2.5
117.07007	10.5
119.08578	40.5
121.06486	5.9
121.10152	23.2
123.08054	12.2
123.11708	10.5
125.09614	4.8
128.06221	10.6
129.06966	8.2
131.08539	22.8
133.10132	39.6
134.47325	2.3
135.08044	20.8
135.11693	26.5
137.09602	8.9
141.06998	4.6
142.07718	13.2
143.08568	24.4
144.09352	5.0
145.10132	29.1
147.08020	9.1
147.11673	8.9
149.05981	3.2
149.09616	12.8
151.11147	3.9
155.08548	10.5
156.09346	5.9
157.10114	35.6
159.08078	13.0
159.11684	17.9
161.09602	51.0
161.13297	7.5
163.07558	3.2
163.11163	9.4
163.14857	4.2
167.07124	2.9
167.08536	4.6
169.10127	13.1
170.10864	5.4
171.04588	2.6
171.11642	19.1
173.09633	9.5
173.13252	20.2
175.11211	7.0
175.14862	4.1
177.12718	4.2
179.08582	3.6
180.09233	2.7
181.10135	5.7
182.10896	6.5
183.11710	12.8
185.09578	3.6
185.13217	11.4
187.11142	7.1
187.14789	9.8
189.12685	5.6
191.14316	4.2
193.10077	4.1
194.10861	3.0
195.11694	15.3
197.13284	18.6
199.11148	3.0
199.14850	6.3
200.27487	2.2
201.12746	7.8
203.14311	5.1
205.15945	4.4
207.11661	6.4
209.13228	10.2
211.11211	3.7
211.14764	6.4
212.15538	2.2
213.12691	13.1
213.16382	4.2
215.14299	22.9
217.16011	2.6
221.13258	9.2
223.14819	7.2
225.16379	7.5
227.14436	5.1
233.13255	2.8
233.15433	2.8
235.14775	3.8
237.16394	7.8
239.14346	2.7
239.17929	3.5
241.15868	3.2
249.16397	2.9
251.14461	2.9
251.17944	3.1
253.19440	7.3
261.22144	4.3
265.19501	6.7
267.20920	2.7
269.18893	3.5
271.20697	2.6
276.20303	3.6
277.19556	8.7
279.17462	4.9
283.20615	4.9
291.21078	3.2
293.22794	12.8
295.20526	25.4
309.22156	2.8
311.23676	7.9
321.11423	3.0
335.23721	29.2
353.13635	2.8
353.24762	100.0
354.25125	6.7
359.64056	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	353.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53698	1.6
55.05499	6.4
57.03428	4.9
57.07064	6.5
67.05491	14.4
69.03425	3.3
69.07063	22.2
69.94315	9.3
70.06581	2.4
70.21228	2.2
71.04991	14.8
71.08624	2.0
72.08127	2.8
72.51594	1.6
77.01672	1.6
79.05480	6.7
80.51363	1.5
81.07050	82.7
83.08602	3.6
84.08142	25.6
85.02899	77.5
85.06541	31.0
91.05440	3.7
93.06998	2.8
95.08601	51.4
97.02882	2.1
98.20819	2.7
99.08084	16.7
104.04973	2.0
105.07031	2.0
109.10155	4.8
111.11670	2.6
120.08096	5.7
122.06036	3.4
130.08627	7.1
131.03412	3.5
132.04422	3.2
136.07536	1.7
137.05931	1.9
137.13248	24.1
138.09091	1.7
143.14352	3.2
150.05499	4.6
155.14301	83.9
155.15578	4.2
161.05960	3.1
164.07063	87.5
165.07809	3.7
173.15358	56.6
178.08746	2.4
180.49673	2.0
181.74048	1.6
182.08099	7.4
190.08548	2.8
191.06995	6.4
191.16399	18.6
224.09117	3.1
233.09486	1.6
280.08206	11.1
293.11847	2.5
293.14932	13.4
294.09686	100.0
294.15167	3.7
295.10440	5.9
312.10703	11.3
321.10916	2.2
353.13470	3.7
353.17099	5.6
354.11639	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	353.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.4
53.82431	0.7
54.27436	0.6
54.69422	0.5
55.05503	1.6
57.03441	3.6
57.07051	0.7
67.05492	1.7
69.03424	16.4
69.07065	14.3
71.01352	0.8
71.04969	2.2
73.02905	1.5
79.05471	3.0
81.03409	2.4
81.07048	5.4
83.04966	2.4
84.08133	1.6
85.02905	41.0
85.06528	1.6
87.04474	0.9
91.05477	3.0
93.07034	3.6
95.04877	0.7
95.08597	4.7
97.02877	3.0
97.06509	1.3
99.04454	1.4
105.07037	4.4
107.04949	0.7
107.08594	10.7
109.02900	1.1
109.06525	3.2
109.10157	0.8
111.08092	4.7
113.02386	0.6
119.08575	3.9
120.08064	1.4
121.06456	2.1
121.10143	6.6
122.05996	0.9
123.08061	3.8
127.03889	2.8
129.07022	0.8
130.05020	1.2
130.08679	0.8
131.03415	1.5
131.08560	8.6
131.18051	0.7
132.04442	1.2
133.10117	6.1
134.05983	0.7
135.08057	15.9
135.11694	2.3
137.09578	0.8
143.08508	1.2
145.04938	0.7
145.10130	3.1
147.11668	2.0
149.09608	8.1
149.13248	2.0
150.05527	1.8
158.10896	3.5
163.14853	3.1
164.07059	35.7
165.07881	1.8
171.11557	0.7
173.13258	15.7
178.08566	1.1
182.08133	4.4
182.96103	0.7
191.14302	100.0
192.14612	2.5
209.15410	1.0
224.09122	0.7
280.08127	1.6
294.09702	37.6
295.10468	2.6
307.16531	1.4
312.10748	4.3
353.13467	0.8
353.19873	11.6
354.11807	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	353.138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	2.8
53.23922	1.2
55.05495	2.2
59.07928	1.8
67.05490	2.2
69.03429	3.7
69.07063	2.7
71.04969	2.2
71.50212	2.8
73.50546	1.3
78.04691	2.4
79.05494	12.5
81.03420	2.8
81.07046	5.4
83.05014	1.8
83.14530	1.4
85.02898	2.2
91.05480	6.9
93.07035	3.9
95.04955	5.9
95.08595	1.4
97.06488	2.5
102.04664	1.4
103.05463	6.9
103.98769	1.3
105.07034	6.2
106.06558	1.5
107.04956	26.7
107.08606	2.4
109.06503	2.5
115.05466	4.4
117.07022	2.8
118.04144	5.5
119.04951	5.0
119.08572	2.2
121.06493	1.7
121.10117	2.2
122.03583	1.6
123.04420	6.6
124.05209	5.3
125.06004	2.2
127.03928	1.6
128.06186	3.1
129.06927	3.0
130.04182	2.7
131.04913	12.3
133.02858	3.4
133.06471	5.4
135.08060	1.8
135.11659	1.8
137.05988	4.9
139.11356	1.3
141.07051	1.3
144.05789	1.6
145.06468	2.9
145.10031	1.9
146.03561	1.8
147.04369	3.8
148.05124	2.0
151.07552	10.7
152.04660	3.6
152.06175	1.7
153.05374	1.7
153.06856	2.4
157.06519	2.3
159.08058	5.1
161.05951	8.1
163.07574	2.0
163.11157	3.0
165.05698	2.2
165.06996	9.2
167.04886	2.8
167.07034	68.8
168.05687	2.8
168.07135	1.9
171.08031	3.8
173.05988	4.9
175.07513	1.8
176.04651	5.1
177.05476	2.4
177.06931	3.3
179.07080	3.2
179.08586	3.6
180.05789	1.5
181.06494	4.6
184.05194	4.2
185.05949	1.9
189.06886	3.5
190.07661	7.3
191.07030	58.0
191.08566	4.1
192.07568	2.2
193.06526	3.0
194.07217	1.7
195.08057	2.1
197.06015	3.3
199.07526	22.4
202.07683	8.4
203.08563	9.0
204.09239	3.9
205.06506	5.2
205.10104	2.3
206.07391	2.3
207.07982	5.2
209.05923	1.8
210.06813	2.0
211.07526	5.2
213.05518	3.2
215.08591	11.8
217.06592	2.7
218.07268	18.3
219.08005	10.1
221.05875	1.9
221.09688	2.4
222.06804	1.7
223.07559	9.4
225.05501	2.7
225.09073	3.9
227.06871	1.8
229.06561	3.5
231.08057	10.0
232.08794	10.7
233.06110	1.7
233.09647	20.2
234.06749	3.6
235.07494	11.5
236.08253	2.6
237.05580	2.1
237.09071	5.3
238.06120	2.1
239.06993	2.3
241.04967	4.3
243.07991	6.4
243.11761	3.3
245.05986	3.1
246.06729	9.9
247.07402	10.2
248.08321	5.2
249.09059	7.4
250.09926	4.1
251.07063	13.6
252.07739	4.5
253.05017	1.9
253.08533	1.7
254.09311	1.6
257.05981	3.4
258.06805	1.6
259.07547	6.6
260.08325	8.4
261.09119	31.4
261.12128	2.0
262.06317	1.9
262.09900	4.4
263.07016	12.6
263.10303	2.7
264.07669	2.2
265.08670	7.4
265.12076	3.2
267.06741	1.6
267.09998	2.0
271.07550	1.7
271.11200	2.1
273.09146	4.4
274.06183	6.1
274.09863	5.1
275.07074	7.0
275.10629	6.7
276.07745	3.2
277.08591	7.3
278.09412	14.7
279.10031	4.9
280.07336	2.0
288.07825	3.8
289.08572	40.0
289.12192	21.8
290.09384	11.0
291.06461	5.2
291.10086	9.0
292.07245	3.4
292.10687	3.0
293.08029	4.5
293.11676	26.2
294.09369	3.5
294.12311	1.9
295.09650	4.2
303.10159	2.2
305.08185	2.9
306.08774	12.8
307.09631	8.7
307.13196	8.5
309.11154	2.4
317.11606	8.0
321.11182	67.6
322.11832	11.8
323.09100	4.6
325.10760	2.5
325.14261	10.7
335.09146	2.5
335.12738	17.6
338.11340	6.8
353.10266	7.9
353.13800	100.0
354.14087	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	353.138
Annotation	Daldinone D
Peak:m/z	Relative Intensity
53.03921	2.8
53.23922	1.2
55.05495	2.2
59.07928	1.8
67.05490	2.2
69.03429	3.7
69.07063	2.7
71.04969	2.2
71.50212	2.8
73.50546	1.3
78.04691	2.4
79.05494	12.5
81.03420	2.8
81.07046	5.4
83.05014	1.8
83.14530	1.4
85.02898	2.2
91.05480	6.9
93.07035	3.9
95.04955	5.9
95.08595	1.4
97.06488	2.5
102.04664	1.4
103.05463	6.9
103.98769	1.3
105.07034	6.2
106.06558	1.5
107.04956	26.7
107.08606	2.4
109.06503	2.5
115.05466	4.4
117.07022	2.8
118.04144	5.5
119.04951	5.0
119.08572	2.2
121.06493	1.7
121.10117	2.2
122.03583	1.6
123.04420	6.6
124.05209	5.3
125.06004	2.2
127.03928	1.6
128.06186	3.1
129.06927	3.0
130.04182	2.7
131.04913	12.3
133.02858	3.4
133.06471	5.4
135.08060	1.8
135.11659	1.8
137.05988	4.9
139.11356	1.3
141.07051	1.3
144.05789	1.6
145.06468	2.9
145.10031	1.9
146.03561	1.8
147.04369	3.8
148.05124	2.0
151.07552	10.7
152.04660	3.6
152.06175	1.7
153.05374	1.7
153.06856	2.4
157.06519	2.3
159.08058	5.1
161.05951	8.1
163.07574	2.0
163.11157	3.0
165.05698	2.2
165.06996	9.2
167.04886	2.8
167.07034	68.8
168.05687	2.8
168.07135	1.9
171.08031	3.8
173.05988	4.9
175.07513	1.8
176.04651	5.1
177.05476	2.4
177.06931	3.3
179.07080	3.2
179.08586	3.6
180.05789	1.5
181.06494	4.6
184.05194	4.2
185.05949	1.9
189.06886	3.5
190.07661	7.3
191.07030	58.0
191.08566	4.1
192.07568	2.2
193.06526	3.0
194.07217	1.7
195.08057	2.1
197.06015	3.3
199.07526	22.4
202.07683	8.4
203.08563	9.0
204.09239	3.9
205.06506	5.2
205.10104	2.3
206.07391	2.3
207.07982	5.2
209.05923	1.8
210.06813	2.0
211.07526	5.2
213.05518	3.2
215.08591	11.8
217.06592	2.7
218.07268	18.3
219.08005	10.1
221.05875	1.9
221.09688	2.4
222.06804	1.7
223.07559	9.4
225.05501	2.7
225.09073	3.9
227.06871	1.8
229.06561	3.5
231.08057	10.0
232.08794	10.7
233.06110	1.7
233.09647	20.2
234.06749	3.6
235.07494	11.5
236.08253	2.6
237.05580	2.1
237.09071	5.3
238.06120	2.1
239.06993	2.3
241.04967	4.3
243.07991	6.4
243.11761	3.3
245.05986	3.1
246.06729	9.9
247.07402	10.2
248.08321	5.2
249.09059	7.4
250.09926	4.1
251.07063	13.6
252.07739	4.5
253.05017	1.9
253.08533	1.7
254.09311	1.6
257.05981	3.4
258.06805	1.6
259.07547	6.6
260.08325	8.4
261.09119	31.4
261.12128	2.0
262.06317	1.9
262.09900	4.4
263.07016	12.6
263.10303	2.7
264.07669	2.2
265.08670	7.4
265.12076	3.2
267.06741	1.6
267.09998	2.0
271.07550	1.7
271.11200	2.1
273.09146	4.4
274.06183	6.1
274.09863	5.1
275.07074	7.0
275.10629	6.7
276.07745	3.2
277.08591	7.3
278.09412	14.7
279.10031	4.9
280.07336	2.0
288.07825	3.8
289.08572	40.0
289.12192	21.8
290.09384	11.0
291.06461	5.2
291.10086	9.0
292.07245	3.4
292.10687	3.0
293.08029	4.5
293.11676	26.2
294.09369	3.5
294.12311	1.9
295.09650	4.2
303.10159	2.2
305.08185	2.9
306.08774	12.8
307.09631	8.7
307.13196	8.5
309.11154	2.4
317.11606	8.0
321.11182	67.6
322.11832	11.8
323.09100	4.6
325.10760	2.5
325.14261	10.7
335.09146	2.5
335.12738	17.6
338.11340	6.8
353.10266	7.9
353.13800	100.0
354.14087	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	353.138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	2.8
53.23922	1.2
55.05495	2.2
59.07928	1.8
67.05490	2.2
69.03429	3.7
69.07063	2.7
71.04969	2.2
71.50212	2.8
73.50546	1.3
78.04691	2.4
79.05494	12.5
81.03420	2.8
81.07046	5.4
83.05014	1.8
83.14530	1.4
85.02898	2.2
91.05480	6.9
93.07035	3.9
95.04955	5.9
95.08595	1.4
97.06488	2.5
102.04664	1.4
103.05463	6.9
103.98769	1.3
105.07034	6.2
106.06558	1.5
107.04956	26.7
107.08606	2.4
109.06503	2.5
115.05466	4.4
117.07022	2.8
118.04144	5.5
119.04951	5.0
119.08572	2.2
121.06493	1.7
121.10117	2.2
122.03583	1.6
123.04420	6.6
124.05209	5.3
125.06004	2.2
127.03928	1.6
128.06186	3.1
129.06927	3.0
130.04182	2.7
131.04913	12.3
133.02858	3.4
133.06471	5.4
135.08060	1.8
135.11659	1.8
137.05988	4.9
139.11356	1.3
141.07051	1.3
144.05789	1.6
145.06468	2.9
145.10031	1.9
146.03561	1.8
147.04369	3.8
148.05124	2.0
151.07552	10.7
152.04660	3.6
152.06175	1.7
153.05374	1.7
153.06856	2.4
157.06519	2.3
159.08058	5.1
161.05951	8.1
163.07574	2.0
163.11157	3.0
165.05698	2.2
165.06996	9.2
167.04886	2.8
167.07034	68.8
168.05687	2.8
168.07135	1.9
171.08031	3.8
173.05988	4.9
175.07513	1.8
176.04651	5.1
177.05476	2.4
177.06931	3.3
179.07080	3.2
179.08586	3.6
180.05789	1.5
181.06494	4.6
184.05194	4.2
185.05949	1.9
189.06886	3.5
190.07661	7.3
191.07030	58.0
191.08566	4.1
192.07568	2.2
193.06526	3.0
194.07217	1.7
195.08057	2.1
197.06015	3.3
199.07526	22.4
202.07683	8.4
203.08563	9.0
204.09239	3.9
205.06506	5.2
205.10104	2.3
206.07391	2.3
207.07982	5.2
209.05923	1.8
210.06813	2.0
211.07526	5.2
213.05518	3.2
215.08591	11.8
217.06592	2.7
218.07268	18.3
219.08005	10.1
221.05875	1.9
221.09688	2.4
222.06804	1.7
223.07559	9.4
225.05501	2.7
225.09073	3.9
227.06871	1.8
229.06561	3.5
231.08057	10.0
232.08794	10.7
233.06110	1.7
233.09647	20.2
234.06749	3.6
235.07494	11.5
236.08253	2.6
237.05580	2.1
237.09071	5.3
238.06120	2.1
239.06993	2.3
241.04967	4.3
243.07991	6.4
243.11761	3.3
245.05986	3.1
246.06729	9.9
247.07402	10.2
248.08321	5.2
249.09059	7.4
250.09926	4.1
251.07063	13.6
252.07739	4.5
253.05017	1.9
253.08533	1.7
254.09311	1.6
257.05981	3.4
258.06805	1.6
259.07547	6.6
260.08325	8.4
261.09119	31.4
261.12128	2.0
262.06317	1.9
262.09900	4.4
263.07016	12.6
263.10303	2.7
264.07669	2.2
265.08670	7.4
265.12076	3.2
267.06741	1.6
267.09998	2.0
271.07550	1.7
271.11200	2.1
273.09146	4.4
274.06183	6.1
274.09863	5.1
275.07074	7.0
275.10629	6.7
276.07745	3.2
277.08591	7.3
278.09412	14.7
279.10031	4.9
280.07336	2.0
288.07825	3.8
289.08572	40.0
289.12192	21.8
290.09384	11.0
291.06461	5.2
291.10086	9.0
292.07245	3.4
292.10687	3.0
293.08029	4.5
293.11676	26.2
294.09369	3.5
294.12311	1.9
295.09650	4.2
303.10159	2.2
305.08185	2.9
306.08774	12.8
307.09631	8.7
307.13196	8.5
309.11154	2.4
317.11606	8.0
321.11182	67.6
322.11832	11.8
323.09100	4.6
325.10760	2.5
325.14261	10.7
335.09146	2.5
335.12738	17.6
338.11340	6.8
353.10266	7.9
353.13800	100.0
354.14087	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	353.0846
Annotation	4-Methylumbelliferyl beta-D-glucuronide
Peak:m/z	Relative Intensity
58.01393	3.2
63.80990	2.5
68.93528	2.7
70.02577	10.1
70.02988	4.8
73.07771	2.4
77.43312	2.7
77.51365	3.0
81.82411	2.8
97.39400	3.2
98.21410	5.4
105.61780	2.6
181.87755	2.5
237.02873	3.0
353.08414	100.0
354.08704	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	353.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	15.7
55.01865	8.5
55.05516	4.9
57.03442	18.2
65.03928	4.2
67.05515	12.4
69.03426	78.9
71.01355	9.3
71.04980	11.2
71.50389	4.5
73.02908	6.4
77.03943	3.8
79.05493	41.0
81.03413	40.9
81.07050	7.8
83.01328	2.7
83.04967	8.6
85.02904	42.2
86.84305	2.4
91.05486	24.5
92.00774	2.8
93.07043	18.5
95.04964	76.9
97.02884	28.8
98.53838	2.7
99.04434	14.2
103.03941	6.1
103.05455	34.7
105.03394	10.3
105.04515	3.0
105.07030	15.7
107.04951	70.5
109.02884	30.4
109.06523	26.1
111.04440	11.6
114.20053	3.1
115.05468	8.5
117.06997	9.9
119.04929	8.6
121.06486	23.1
123.04425	29.4
125.02347	11.6
127.03914	41.0
129.05458	3.7
129.06996	4.0
131.04936	33.3
133.02861	7.3
133.06470	10.2
135.04388	16.2
135.08029	4.8
137.05989	8.2
139.03883	31.5
139.07529	9.6
141.05460	4.8
145.04942	7.5
145.06474	6.4
147.04370	5.0
147.07964	6.6
149.02353	4.8
149.05978	29.1
151.03896	100.0
153.05455	10.3
157.06508	3.3
159.04442	28.8
161.05995	10.8
163.07529	9.7
164.07079	8.1
165.04179	4.6
165.05482	57.5
167.07047	24.1
173.06003	6.4
175.03903	5.7
175.07469	4.2
177.05441	46.5
177.06898	3.8
177.09074	3.2
179.07062	5.2
181.06450	2.8
181.08519	4.3
187.07510	3.8
189.05453	7.2
191.07016	41.3
191.14311	4.8
192.07701	5.1
193.08611	10.0
195.06557	7.4
199.07483	4.9
201.05460	7.6
203.08627	3.1
204.30403	2.8
207.06569	9.7
209.08061	36.9
210.08151	2.6
215.06941	5.6
221.08153	3.0
251.09160	5.4
261.09259	4.0
275.08945	3.2
278.09735	4.6
279.10477	3.5
293.11380	5.3
294.09818	6.5
303.08664	3.8
317.10321	3.4
321.09631	18.6
335.11362	3.0
335.53452	3.2
353.12598	36.3
353.19757	3.6
354.12439	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	352.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.4
55.01856	9.6
55.05512	19.4
56.05037	19.5
57.03422	8.6
57.07075	2.0
58.06602	25.8
60.04522	13.6
67.05505	31.6
68.05819	2.6
69.03427	2.4
69.07073	15.6
69.76933	9.7
70.06583	2.4
71.04996	5.5
71.08614	9.6
72.08939	2.3
73.83906	2.2
79.05487	30.2
80.04996	2.2
80.05833	3.4
81.03423	2.9
81.06592	3.8
81.07050	46.7
82.06577	2.7
82.07372	5.6
83.04964	7.2
83.08604	9.6
84.08131	4.4
85.10159	2.8
91.05468	29.2
93.07043	26.4
94.06552	4.6
94.07353	2.8
95.04942	7.8
95.08166	2.1
95.08607	23.5
96.08127	3.8
97.06519	7.0
97.10152	2.5
98.09686	100.0
99.08089	12.3
100.07616	6.5
105.07022	23.2
106.07351	4.8
107.04959	3.9
107.08575	22.4
108.08110	4.1
108.08933	2.0
109.06499	4.9
109.10163	12.9
110.09703	3.2
111.08045	5.2
112.08393	2.4
117.06978	7.1
119.08568	25.0
121.10139	12.4
123.08054	3.6
123.11738	3.9
124.11215	5.7
125.09615	3.3
129.06947	4.7
131.08549	6.9
133.10118	18.0
134.10495	2.7
135.08075	2.2
135.11684	6.8
137.09584	5.0
139.11160	2.4
140.10695	27.9
145.10109	6.5
147.11671	11.0
149.09610	3.7
149.13182	2.5
151.11156	6.8
154.12242	11.0
155.08429	2.7
157.10080	4.6
159.11646	3.1
161.13271	3.5
163.11169	6.2
164.11540	5.2
171.11656	3.3
172.13255	6.1
173.13287	2.6
177.12714	8.6
179.14265	3.6
180.14766	2.3
193.77737	2.0
204.13910	3.0
214.72176	2.3
236.16435	3.5
239.18103	2.8
250.22591	3.1
257.18939	3.9
260.20807	3.5
274.21576	6.6
275.20068	30.4
276.20178	3.3
278.21967	12.9
292.15448	5.5
292.22656	37.2
306.24075	3.3
310.23874	3.2
316.22705	3.9
334.23819	15.4
352.24863	94.2
353.24960	5.5
355.50528	2.2
374.29846	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00288	1.1
53.03947	4.7
55.01854	3.6
55.05243	1.6
55.05507	23.2
57.03436	21.5
57.07080	5.2
65.03936	3.0
67.05504	69.0
69.03426	1.4
69.07069	22.0
69.95123	4.8
71.04977	3.4
71.08630	59.2
72.08961	1.2
79.05490	55.9
81.03416	8.6
81.07054	61.7
83.04977	10.8
83.08610	12.9
85.06528	3.3
91.04906	1.8
91.05479	38.7
93.07040	69.5
94.07349	1.5
95.04964	15.4
95.08604	43.8
97.06518	11.5
97.10165	6.7
97.87373	1.0
99.08092	41.3
105.04505	1.2
105.07027	25.6
105.93321	0.9
107.04933	10.3
107.07880	2.1
107.08589	36.8
108.03065	1.0
109.06516	4.2
109.10151	21.6
111.08070	4.4
111.11732	1.3
111.22933	0.9
113.09653	2.6
117.06995	7.8
119.08580	21.6
121.06482	2.2
121.10144	30.0
123.08055	2.8
123.11707	3.5
125.09635	3.2
127.07643	1.2
127.11189	2.3
128.06227	1.3
129.06999	4.7
131.08592	7.8
131.23940	0.9
133.10118	16.2
135.08098	1.6
135.11691	35.2
136.12088	1.1
137.06009	1.2
137.09630	4.0
139.11148	1.4
141.09108	4.3
143.08536	3.3
145.10117	7.7
147.11653	9.5
149.13264	13.0
151.11180	24.6
153.12746	1.9
157.10144	2.2
159.11676	5.5
161.09624	1.1
161.13252	15.3
163.11218	7.3
163.14905	2.8
165.12752	2.8
167.10706	3.7
171.11749	4.2
173.11792	1.7
173.13248	3.1
175.11168	1.3
175.14815	3.2
177.12741	4.6
179.14299	100.0
180.14645	3.3
185.13292	4.6
187.14799	1.3
189.00439	1.1
189.11191	2.2
189.12766	3.3
193.10129	1.1
193.12167	1.6
195.13834	1.7
199.14877	2.7
203.14287	1.4
221.15399	2.8
231.21063	1.3
235.16975	3.8
236.16930	1.3
241.19560	3.8
259.20551	11.0
275.20306	1.1
277.18445	2.0
277.21600	37.2
278.22247	2.1
292.22702	3.4
293.21088	2.3
306.23163	1.0
310.23804	1.8
333.24231	1.4
351.18454	2.3
351.25333	38.8
352.24905	7.2
369.19525	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	1.0
53.03934	3.5
55.01867	4.2
55.05508	15.0
56.96560	2.7
57.03440	5.5
57.07064	3.5
57.33999	1.3
57.97366	1.1
65.03923	1.4
67.05503	35.6
69.03420	2.0
69.07071	13.6
70.75790	3.1
71.04992	2.8
71.08628	13.0
72.08961	1.1
79.05493	36.7
81.03411	2.0
81.07056	37.6
81.07535	2.0
83.04974	2.3
83.08611	7.1
84.72894	1.0
85.06552	2.4
85.10183	1.7
91.05482	37.3
92.00373	1.0
93.07039	43.9
95.04954	5.5
95.08604	23.9
97.06531	2.8
97.10177	3.0
99.08091	13.2
102.01058	1.2
103.05490	1.2
105.04535	1.4
105.07028	37.8
107.04958	3.7
107.08588	25.4
109.06505	3.7
109.10143	9.9
111.04406	1.4
111.08070	5.3
113.09630	2.7
117.07016	9.0
118.06577	5.1
119.04953	1.2
119.08574	33.7
120.08929	1.2
121.10139	20.2
123.08082	2.0
123.11703	2.6
125.09621	2.1
129.07011	5.8
131.08553	15.4
133.09126	1.8
133.10124	32.0
133.11107	2.1
135.08011	2.7
135.11688	18.4
137.05975	7.1
137.09633	2.1
143.08585	6.6
144.08035	1.6
145.10120	16.1
146.06021	9.5
147.08037	1.9
147.11682	30.0
148.11995	2.0
149.09648	4.0
149.13240	11.2
151.11147	4.1
157.10147	6.8
159.11700	10.5
161.09560	1.7
161.13261	23.1
163.03979	5.1
163.11183	6.3
163.14825	3.1
164.07047	2.3
165.12822	2.8
171.11685	9.5
173.13248	6.9
175.11157	1.6
175.14825	11.2
177.12766	3.0
178.08630	4.1
179.14349	2.4
185.13239	9.2
187.14796	2.3
188.07010	8.5
189.12733	2.7
189.16414	1.4
199.14815	4.3
203.14288	1.8
213.16403	2.6
215.17798	1.8
217.19528	2.6
231.21132	8.0
237.00742	2.7
241.17216	2.2
241.19510	20.1
255.01741	1.7
257.12460	1.5
259.20575	48.6
260.20959	3.3
275.60947	1.2
277.18356	1.7
277.21597	12.0
278.13757	2.2
291.10327	1.4
292.15384	7.6
292.22827	1.6
296.68347	1.2
319.09668	1.7
333.24277	1.8
334.23636	1.3
351.12384	3.8
351.21338	100.0
351.25314	30.9
352.17801	1.6
352.21674	7.0
352.24600	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	351.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07749	2.9
53.03945	7.6
54.82177	3.1
55.01863	9.2
55.05270	3.8
55.05509	34.1
55.41824	2.9
56.96554	4.2
57.03425	17.5
57.07073	8.6
58.67538	3.2
59.52235	2.8
65.03927	5.1
67.05501	87.8
69.07061	28.7
70.06575	2.8
70.48703	6.6
70.49067	6.1
71.04971	4.8
71.08630	51.1
79.05489	74.2
80.86756	2.9
81.03422	7.8
81.07052	88.7
81.22233	3.0
83.04976	9.9
83.08628	18.7
85.06536	4.9
91.05482	72.3
93.07047	87.0
93.07635	4.6
95.04987	15.5
95.08604	55.5
97.06563	6.3
97.10195	8.2
99.08099	42.5
105.07024	70.3
107.04971	5.4
107.08591	55.9
109.06545	4.0
109.10151	21.3
111.08071	4.5
113.09692	3.0
117.07013	15.4
119.08584	69.7
121.10129	39.8
123.08070	4.1
123.11702	4.4
125.09634	5.3
129.07045	14.0
131.08568	23.8
133.10139	47.9
135.08051	3.7
135.11693	44.7
137.09689	3.8
143.08582	14.6
145.10107	31.1
147.11685	59.1
149.09624	3.2
149.13254	21.7
151.11174	27.5
157.10147	15.5
158.34482	3.2
159.11702	19.3
159.12912	2.7
161.13252	49.2
163.03938	5.9
163.11143	21.7
163.14812	10.5
171.11656	18.2
173.13252	11.7
175.11223	4.2
175.14822	22.8
177.12729	6.0
179.14320	17.7
185.13316	13.3
189.12726	4.4
199.14809	9.9
203.14304	4.2
213.16406	6.5
217.15945	3.6
217.19524	4.3
231.21083	7.9
237.00636	8.0
241.19521	43.0
255.24376	3.4
259.20560	100.0
260.20993	4.6
277.21579	20.6
324.31277	2.9
351.25323	77.7
352.25235	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	1.7
53.03936	3.6
55.01847	1.8
55.05508	17.1
57.03442	12.1
57.07054	4.3
61.82949	1.2
62.26379	1.6
65.03915	2.1
67.05502	50.1
69.03396	1.8
69.07068	19.9
71.04979	4.1
71.08617	3.5
71.35754	3.5
75.04472	2.1
79.05491	72.1
81.07050	60.1
81.07527	3.8
83.04962	3.2
83.08607	8.8
85.06525	4.6
89.06007	5.3
89.30772	1.4
91.05479	49.7
93.07039	100.0
94.07389	1.7
95.04987	7.5
95.08602	43.2
96.84270	1.4
97.06514	3.2
97.10150	2.7
99.08077	3.1
100.65900	1.2
105.06310	2.4
105.07024	57.7
107.08585	60.5
107.09319	3.4
109.06489	3.5
109.10145	12.0
111.08022	1.7
113.09644	2.7
117.07018	11.5
119.08574	52.4
121.06522	1.6
121.10131	41.9
123.08106	1.6
123.11697	5.6
129.06984	8.1
131.08566	17.2
133.10121	44.2
135.08051	2.7
135.11679	49.2
137.09584	2.4
137.13222	1.4
142.07736	2.0
143.08568	10.5
145.10136	20.2
147.11681	49.7
149.09576	2.1
149.13248	29.1
150.13562	2.0
151.11176	2.4
157.10109	10.9
159.11679	21.6
160.12045	1.6
161.09663	2.2
161.11996	2.9
161.13252	36.0
163.11160	2.9
163.14795	11.0
171.11703	12.4
173.13263	11.9
175.11137	1.9
175.14833	16.0
177.12721	4.3
179.14252	2.7
185.13275	12.8
187.14780	2.9
189.12695	2.6
189.16347	1.6
199.14821	6.7
208.43352	1.5
213.16354	5.9
217.15959	1.8
217.19492	2.4
221.15529	1.6
231.17493	3.2
231.21130	7.3
241.19504	36.6
259.20560	97.9
260.20911	5.1
277.21628	16.2
295.60706	1.8
307.61737	1.7
333.24304	11.0
345.17947	1.4
351.18668	3.0
351.25284	60.3
352.25723	3.0
369.19534	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.1
55.01866	7.1
55.05508	34.7
56.96547	5.8
57.03435	20.8
57.07063	8.8
58.34388	1.8
65.03933	4.1
67.05498	100.0
69.03416	4.3
69.06688	2.2
69.07065	30.9
69.39813	9.3
69.40236	6.2
71.04964	2.1
71.08620	15.6
79.05486	67.1
81.03425	12.8
81.07051	73.3
82.07368	2.9
83.04965	9.2
83.08610	12.5
85.06527	6.1
85.10170	2.4
91.05475	54.0
93.07035	87.5
95.04974	15.7
95.08600	43.4
97.06496	4.4
97.10155	12.0
98.21593	3.8
99.08086	9.1
105.07028	45.6
107.04960	5.6
107.08583	53.6
109.06506	6.3
109.09467	3.3
109.10150	31.7
111.04453	3.3
111.08060	4.9
113.09619	5.3
117.07027	10.0
119.06055	2.0
119.08572	42.1
121.10126	37.3
123.08055	4.1
123.11704	5.1
125.09650	9.3
129.06999	5.8
131.08575	15.6
133.10126	33.8
135.08046	5.0
135.11682	36.8
143.08556	6.5
145.10121	15.4
147.11684	34.2
149.09648	3.1
149.13234	26.5
151.11186	12.5
153.12772	2.5
157.10100	9.3
159.11684	10.5
161.09686	3.0
161.13235	30.1
162.13550	2.2
163.03880	10.5
163.11212	5.4
163.14828	10.1
165.12761	3.7
171.11655	14.6
173.13228	10.9
175.11137	3.2
175.14810	19.9
177.12827	2.7
178.08641	7.2
179.14302	14.0
181.12143	1.8
185.13220	12.7
187.14830	3.7
189.11264	6.7
191.14365	2.6
195.13747	2.1
199.14882	7.2
213.16321	2.2
217.19499	2.2
231.17433	2.3
231.21115	8.5
235.16954	3.5
237.00729	7.9
240.49294	2.1
241.19522	21.0
242.19850	4.1
259.20554	66.5
260.20914	2.9
264.10153	9.1
277.21600	44.9
290.47058	2.5
292.15424	9.3
333.24402	4.8
351.25287	73.9
352.17490	2.5
352.25748	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	351.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.1
55.01867	8.0
55.05508	27.5
56.05825	2.0
56.96568	2.5
57.03429	17.7
57.07067	7.7
63.30344	1.8
65.03931	2.5
67.05502	76.3
68.05822	2.7
69.03439	2.0
69.07069	25.8
70.91427	1.8
71.04990	4.4
71.08628	29.0
72.75651	1.6
75.04490	3.5
79.05494	79.1
81.03410	4.1
81.07055	88.9
83.04967	9.1
83.08616	15.1
85.06542	5.8
85.10175	3.3
91.05478	64.8
92.05801	1.8
93.07040	100.0
95.04961	13.0
95.08603	56.7
97.02885	2.3
97.06523	7.4
97.10162	8.4
98.20728	4.2
99.08090	30.7
105.07029	56.4
107.04951	6.6
107.08588	62.5
109.06519	7.9
109.10158	21.3
111.04443	5.0
111.08070	4.4
113.09651	7.3
115.05444	2.5
117.07039	15.4
119.07719	3.1
119.08577	65.7
121.06524	3.7
121.10141	45.2
123.08117	2.8
123.11728	5.8
125.05942	2.0
125.09583	3.2
129.07010	11.5
131.08566	22.0
133.10121	51.4
134.10460	2.1
135.08066	6.6
135.11687	46.8
137.05971	31.2
137.09619	5.0
137.13303	2.8
143.08554	11.8
145.10115	27.6
147.08025	3.1
147.11679	51.9
147.12807	2.9
149.09637	6.1
149.13255	31.9
151.11159	13.4
157.10138	13.5
159.11699	19.2
161.09596	5.1
161.13249	43.0
163.03970	2.1
163.11179	15.3
163.14793	13.3
165.12738	5.1
171.11705	16.3
172.47687	1.9
173.05956	2.1
173.13257	14.4
175.11182	5.3
175.14803	21.8
177.12764	4.4
179.14308	7.9
185.13257	16.0
187.14845	2.8
189.12738	2.7
189.16400	1.9
199.14847	8.7
201.16490	1.8
203.14395	2.5
203.17902	2.0
203.84602	2.0
209.26634	1.7
213.16460	6.3
217.15878	1.9
217.19569	4.2
221.15471	2.9
231.17487	6.7
231.21094	10.7
232.27118	1.8
241.19524	40.2
243.21216	1.8
249.18642	2.4
259.20563	98.9
260.20963	4.2
276.07843	2.4
277.18063	9.1
277.21658	32.7
291.10062	2.3
292.15488	2.5
295.18924	4.1
319.09726	3.5
333.24341	9.7
351.12491	6.4
351.21393	2.8
351.25311	69.9
352.25513	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	351.2142
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
55.05510	0.8
58.72197	0.4
67.05488	1.4
69.07053	1.3
71.51122	0.5
71.51530	0.6
77.00895	0.5
77.80576	0.5
79.05479	1.7
79.05879	0.5
81.03436	0.8
81.07053	2.3
83.04980	0.8
91.05466	1.3
93.07055	1.1
95.04951	0.7
95.08636	1.3
99.08044	0.5
105.07049	3.5
107.08609	1.0
109.10189	0.5
111.08097	0.5
119.08591	0.9
121.10152	1.0
131.08612	0.7
133.10115	1.9
135.11696	0.7
142.72438	0.5
145.10138	1.1
147.11650	0.4
154.18437	0.5
161.05884	0.9
161.09547	0.9
163.11180	1.3
177.12781	0.7
179.10725	0.5
180.13766	0.9
202.07858	0.7
215.11386	1.3
222.28276	0.5
230.07327	0.6
231.08020	1.9
243.14404	0.8
247.07608	1.1
248.08241	1.4
253.12898	1.1
259.07672	1.1
262.06586	0.5
271.13885	1.3
273.09418	0.9
275.07010	0.8
276.07822	1.5
276.14536	0.7
277.08530	0.9
277.21643	0.6
289.08591	0.8
290.09335	1.3
291.10214	2.2
293.07855	0.5
304.07263	0.8
305.08002	1.2
306.08936	0.5
308.10532	0.7
319.09586	5.0
320.10315	1.4
333.19519	1.7
351.12408	7.2
351.21420	100.0
352.12692	1.1
352.21378	3.0
352.25311	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68668	1.1
53.03932	4.1
55.01863	3.4
55.05507	21.1
57.03433	16.6
57.07073	5.1
59.05004	0.9
65.03927	2.1
67.05499	55.4
69.07064	16.6
69.30427	11.1
71.04974	4.1
71.08626	57.9
74.09361	1.1
77.03889	1.4
79.05487	46.4
81.03405	6.8
81.07050	53.7
81.46804	1.0
83.04984	11.4
83.08609	11.4
85.06536	3.7
91.05477	30.5
93.07039	61.5
95.04962	10.7
95.07991	1.7
95.08602	34.5
97.06538	9.7
97.10164	4.0
99.08085	33.6
104.38837	1.0
105.07027	22.8
106.07370	1.2
106.50747	1.0
107.04945	6.9
107.08585	32.6
109.06501	3.3
109.10147	17.4
111.08070	2.8
113.09641	3.1
117.06994	5.3
119.08571	16.6
121.10137	25.6
123.08098	2.1
123.11699	2.9
125.09655	1.5
127.11196	2.8
129.06970	1.7
131.08537	5.4
133.10110	13.8
135.11685	36.4
137.09610	3.7
139.11211	1.5
141.09102	4.2
143.08556	3.0
145.10104	6.4
147.11691	8.6
149.09642	1.4
149.13232	11.7
151.11171	20.8
153.12717	1.7
157.10033	1.1
159.11693	4.1
161.13231	14.2
163.11145	6.0
163.14833	1.9
165.12793	1.6
167.10660	3.6
171.11722	3.8
173.13225	2.3
175.11171	1.1
175.14839	2.0
177.12729	4.5
179.14296	100.0
180.14651	2.6
181.12183	1.4
185.13306	2.9
189.12798	1.9
195.13750	1.6
199.14880	2.0
213.16496	1.3
221.15326	4.6
235.16936	6.1
241.19530	2.7
259.20551	9.1
277.21613	38.0
310.22977	1.1
311.74670	1.3
351.25302	38.1
352.25229	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	351.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01143	1.9
55.05504	1.9
57.03422	3.2
57.07043	2.5
67.05502	3.8
69.07065	4.2
69.80620	12.7
71.05004	2.5
75.22717	2.1
79.05497	4.9
81.03397	3.2
81.07039	4.2
83.04967	2.1
84.07639	3.1
84.08142	47.3
85.02906	47.9
85.06545	100.0
87.09233	2.4
89.79343	2.0
91.05470	6.4
93.07037	5.4
95.04955	3.7
95.08636	2.5
97.06541	12.8
98.21496	3.5
105.07047	2.6
107.08566	3.8
118.06562	3.8
120.08105	7.6
121.06488	2.9
126.09155	5.8
128.10712	4.6
130.04944	2.4
130.08636	6.6
131.03328	2.3
135.04390	2.9
136.07536	2.0
144.04491	3.5
146.06012	14.0
150.09132	2.6
153.12721	6.0
156.06590	3.0
162.05545	3.8
165.05496	5.5
171.13803	7.1
176.07076	6.2
178.08681	26.2
182.08133	3.6
189.14760	2.5
222.07535	3.9
291.17249	2.7
308.11115	6.5
351.11856	3.9
351.15451	6.0
351.19284	5.6
352.06143	3.8
352.10229	42.8
352.14130	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	351.1226
Annotation	XR 774
Peak:m/z	Relative Intensity
57.44697	0.9
67.05494	1.0
69.93212	5.3
71.41605	0.9
75.68829	0.9
79.93368	0.8
81.07043	1.6
91.05472	2.2
93.07047	1.1
97.17077	0.9
105.07017	4.1
107.04927	1.8
109.02872	3.1
109.06499	1.3
121.06466	1.0
126.09122	0.8
128.06210	1.1
131.04959	1.1
133.06456	1.6
133.10097	2.3
137.05978	4.2
139.33586	1.2
159.08046	1.1
161.06003	4.5
161.09538	1.5
164.06970	1.1
165.05357	0.9
178.07918	0.9
187.07590	1.4
189.07014	2.8
190.07733	1.7
191.08554	2.3
199.07497	1.5
202.07803	8.4
203.08543	4.0
205.06509	3.8
206.07341	1.2
213.06996	1.0
215.08502	4.7
217.06525	1.1
218.07285	4.6
219.08043	9.5
220.08797	6.3
229.06580	1.2
230.07242	7.6
231.08067	15.5
232.08768	3.0
233.05966	4.3
233.09605	1.7
234.06712	1.9
237.09033	1.7
242.07281	1.2
245.06023	1.8
246.06712	5.0
247.07544	13.9
248.08357	11.5
249.09041	3.8
250.06166	1.5
258.06769	6.3
259.07611	10.9
260.08398	6.2
261.05444	7.7
261.08844	4.8
262.06378	2.2
262.09906	2.5
263.07138	1.2
263.10632	4.7
265.08569	3.1
273.05893	1.8
273.09082	17.3
274.06219	3.8
274.09714	1.8
275.07040	8.5
276.07816	21.9
277.08466	5.5
278.05920	1.3
279.87137	1.0
280.07278	1.0
287.06985	3.2
288.07730	2.0
289.04926	3.1
289.08527	9.6
290.05991	1.4
290.09305	14.2
291.06799	1.6
291.10104	20.9
292.10574	1.8
293.08035	7.1
301.08612	10.6
304.07297	16.7
305.08057	11.0
306.08850	1.6
308.10294	2.5
318.08813	3.1
319.09650	100.0
320.10345	18.6
321.07480	2.3
321.11102	2.1
323.12817	2.5
333.14484	1.7
336.10028	4.3
351.12222	60.3
351.15366	3.8
352.12717	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	351.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81483	2.2
59.90274	2.5
67.05503	3.7
69.03416	2.7
69.07066	2.6
71.45303	5.3
82.06551	2.2
84.08143	13.0
85.02891	7.5
85.06026	5.0
85.06544	100.0
93.07041	3.9
97.06527	11.8
107.08603	2.5
126.09151	3.0
128.10710	4.8
143.60068	2.3
153.12775	7.0
171.13797	9.8
178.08733	3.1
189.08978	2.7
258.36371	2.4
313.14594	2.6
352.10342	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.114
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69950	0.7
56.96565	4.4
57.03428	1.7
58.41449	0.7
58.99856	1.5
61.02930	0.9
68.98284	0.8
69.03428	2.6
70.99809	0.9
71.50625	0.8
71.50984	0.8
73.02921	1.1
78.57639	0.8
81.03405	1.7
82.99864	1.0
84.08137	0.9
85.01419	1.4
85.02903	6.4
92.96320	0.8
97.01476	1.1
97.02901	3.9
98.97584	7.8
101.00883	11.6
103.02477	3.8
105.00395	1.0
109.02848	1.1
110.97562	2.4
112.99207	1.0
113.00868	5.6
115.02444	7.8
116.98608	3.6
117.04023	2.0
118.01118	1.0
119.01064	1.2
119.01921	22.6
121.01648	2.5
121.03519	2.4
127.02431	2.7
127.03954	1.1
127.83572	0.8
128.98639	1.8
129.03966	8.3
129.26917	0.8
131.01904	18.7
133.03470	30.8
134.03593	1.7
135.03252	1.1
135.05057	1.5
137.03001	1.6
137.05988	2.9
139.02499	0.9
140.03281	0.8
141.03931	1.2
143.00162	1.3
143.01913	4.7
145.01694	2.4
145.03471	13.8
146.03535	1.3
146.99678	2.2
147.01366	1.3
147.03221	1.6
147.05038	43.0
148.05136	1.4
149.02991	1.7
151.04552	3.4
153.03922	6.1
154.19266	0.9
155.01894	11.6
156.02710	2.4
157.03458	6.5
158.99637	2.5
159.03159	1.2
159.05037	7.3
161.01376	1.3
161.02994	4.7
162.99152	0.9
163.02731	1.3
163.04549	2.4
165.04091	1.6
165.04669	1.1
165.06104	12.3
167.01804	1.1
167.05559	0.9
169.03442	1.5
170.06570	0.9
170.99640	1.5
171.05032	51.3
172.05058	2.9
173.02977	12.0
173.06624	3.4
174.04565	1.0
175.04547	6.3
177.00714	1.8
177.06058	1.6
179.02077	1.7
181.03496	4.2
183.05049	9.8
185.02885	3.9
185.06586	6.5
187.04436	1.9
188.05215	0.9
189.00696	2.0
189.06087	52.7
190.06247	3.1
191.02415	0.8
191.07753	1.5
195.05067	2.9
196.02269	2.2
197.03015	3.3
197.06699	1.9
199.04559	2.6
201.06078	45.3
202.06259	3.3
203.04005	5.2
203.07645	9.7
205.03609	1.1
207.05174	4.4
207.07193	11.7
210.03912	1.1
211.04448	1.2
213.06110	5.4
214.06905	0.9
215.00478	1.2
215.07672	2.5
217.00278	1.1
217.05510	1.2
219.01828	3.5
219.04935	1.6
220.02008	1.3
221.03107	0.9
221.05054	20.2
221.07005	1.7
222.05208	1.3
223.04715	1.8
225.06129	17.7
225.08232	7.5
231.07133	7.0
237.02818	5.9
237.06252	1.1
243.07120	4.3
244.44675	0.9
245.05057	6.2
247.06807	2.4
248.07808	1.1
249.02744	1.4
249.05829	1.0
249.08231	13.5
250.08534	1.0
255.07172	2.2
259.04349	1.3
259.06766	2.1
261.05850	1.3
261.08276	18.0
263.09839	2.8
265.07916	0.8
270.08832	0.9
273.08228	7.6
285.08047	4.3
288.04807	1.4
291.09293	100.0
292.09488	8.1
307.06491	6.8
309.10556	21.0
310.10464	1.1
325.07700	1.0
328.82269	1.0
332.11896	1.6
336.06866	9.0
345.66562	0.9
351.11469	75.7
352.11050	8.2
369.10318	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	351.114
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69950	0.7
56.96565	4.4
57.03428	1.7
58.41449	0.7
58.99856	1.5
61.02930	0.9
68.98284	0.8
69.03428	2.6
70.99809	0.9
71.50625	0.8
71.50984	0.8
73.02921	1.1
78.57639	0.8
81.03405	1.7
82.99864	1.0
84.08137	0.9
85.01419	1.4
85.02903	6.4
92.96320	0.8
97.01476	1.1
97.02901	3.9
98.97584	7.8
101.00883	11.6
103.02477	3.8
105.00395	1.0
109.02848	1.1
110.97562	2.4
112.99207	1.0
113.00868	5.6
115.02444	7.8
116.98608	3.6
117.04023	2.0
118.01118	1.0
119.01064	1.2
119.01921	22.6
121.01648	2.5
121.03519	2.4
127.02431	2.7
127.03954	1.1
127.83572	0.8
128.98639	1.8
129.03966	8.3
129.26917	0.8
131.01904	18.7
133.03470	30.8
134.03593	1.7
135.03252	1.1
135.05057	1.5
137.03001	1.6
137.05988	2.9
139.02499	0.9
140.03281	0.8
141.03931	1.2
143.00162	1.3
143.01913	4.7
145.01694	2.4
145.03471	13.8
146.03535	1.3
146.99678	2.2
147.01366	1.3
147.03221	1.6
147.05038	43.0
148.05136	1.4
149.02991	1.7
151.04552	3.4
153.03922	6.1
154.19266	0.9
155.01894	11.6
156.02710	2.4
157.03458	6.5
158.99637	2.5
159.03159	1.2
159.05037	7.3
161.01376	1.3
161.02994	4.7
162.99152	0.9
163.02731	1.3
163.04549	2.4
165.04091	1.6
165.04669	1.1
165.06104	12.3
167.01804	1.1
167.05559	0.9
169.03442	1.5
170.06570	0.9
170.99640	1.5
171.05032	51.3
172.05058	2.9
173.02977	12.0
173.06624	3.4
174.04565	1.0
175.04547	6.3
177.00714	1.8
177.06058	1.6
179.02077	1.7
181.03496	4.2
183.05049	9.8
185.02885	3.9
185.06586	6.5
187.04436	1.9
188.05215	0.9
189.00696	2.0
189.06087	52.7
190.06247	3.1
191.02415	0.8
191.07753	1.5
195.05067	2.9
196.02269	2.2
197.03015	3.3
197.06699	1.9
199.04559	2.6
201.06078	45.3
202.06259	3.3
203.04005	5.2
203.07645	9.7
205.03609	1.1
207.05174	4.4
207.07193	11.7
210.03912	1.1
211.04448	1.2
213.06110	5.4
214.06905	0.9
215.00478	1.2
215.07672	2.5
217.00278	1.1
217.05510	1.2
219.01828	3.5
219.04935	1.6
220.02008	1.3
221.03107	0.9
221.05054	20.2
221.07005	1.7
222.05208	1.3
223.04715	1.8
225.06129	17.7
225.08232	7.5
231.07133	7.0
237.02818	5.9
237.06252	1.1
243.07120	4.3
244.44675	0.9
245.05057	6.2
247.06807	2.4
248.07808	1.1
249.02744	1.4
249.05829	1.0
249.08231	13.5
250.08534	1.0
255.07172	2.2
259.04349	1.3
259.06766	2.1
261.05850	1.3
261.08276	18.0
263.09839	2.8
265.07916	0.8
270.08832	0.9
273.08228	7.6
285.08047	4.3
288.04807	1.4
291.09293	100.0
292.09488	8.1
307.06491	6.8
309.10556	21.0
310.10464	1.1
325.07700	1.0
328.82269	1.0
332.11896	1.6
336.06866	9.0
345.66562	0.9
351.11469	75.7
352.11050	8.2
369.10318	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	350.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	19.9
67.05492	13.7
70.06582	5.9
71.04989	7.1
71.51337	10.0
79.05483	12.7
81.03401	7.7
81.07047	9.0
83.04937	6.1
83.08615	10.6
84.04479	5.1
84.08131	6.5
85.02896	7.5
85.06502	5.3
86.09698	34.1
91.05481	10.2
93.07019	20.6
95.04947	23.9
95.08582	8.9
100.11260	49.1
103.28255	4.7
105.07022	11.3
107.08601	25.2
111.04436	7.1
120.08102	100.0
132.66275	5.4
133.10118	7.7
135.11678	20.1
137.05969	11.0
141.61586	5.2
151.03888	23.6
152.05701	9.3
152.07036	9.9
157.13364	8.3
161.09657	7.4
165.05464	23.0
172.65680	6.7
182.15417	16.9
183.15729	9.3
191.11813	38.5
209.07423	4.9
209.16490	7.5
210.14883	12.7
211.15141	6.5
217.81227	5.4
219.11328	12.5
227.17526	8.9
227.67792	6.9
230.11688	5.4
277.22934	28.8
291.09869	6.3
300.12231	7.5
344.31027	9.8
350.14780	8.2
351.15680	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	351.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	19.1
57.07079	0.7
61.02907	0.8
62.08699	0.8
69.03431	3.6
69.07059	1.1
70.06576	1.1
71.42645	1.2
71.42976	0.9
71.95255	1.5
73.02895	1.1
79.05484	1.5
81.03385	1.9
81.07052	1.5
84.04494	0.7
84.08134	3.5
84.96053	4.0
85.02902	7.0
86.03236	0.8
87.04415	0.9
91.05489	0.8
92.98963	0.7
96.37341	0.7
97.02890	4.3
98.86749	0.8
98.97579	100.0
99.97870	0.9
101.00856	1.7
107.04934	2.7
109.02884	0.7
110.97565	6.9
111.04422	0.8
116.98615	64.3
119.01907	4.3
124.99115	1.1
127.03887	1.7
128.98596	10.9
129.10233	1.1
131.00128	2.2
131.01865	1.5
133.01707	0.9
133.03499	1.2
134.99651	26.3
137.05984	2.7
140.00165	2.6
143.00116	2.2
143.01894	1.6
144.98085	1.1
145.01721	2.7
145.03448	1.7
146.99619	9.2
147.03239	3.9
147.04401	3.0
149.01289	1.7
152.98608	1.5
153.00732	1.9
155.01903	1.4
156.10222	1.8
157.01689	1.2
158.01274	1.5
158.99651	31.0
161.01273	4.4
161.02925	2.9
162.03130	1.0
162.99168	2.3
163.02759	3.3
163.04013	0.8
165.00653	1.2
165.04305	4.0
170.99652	4.4
171.03271	2.9
172.95248	1.2
173.02959	1.1
175.02756	1.4
177.00705	45.2
179.02303	0.9
181.03639	0.9
183.05043	0.9
189.00969	3.6
189.02562	2.1
189.04288	13.4
189.05858	1.4
190.96259	1.1
195.01801	4.8
200.02315	3.4
201.00685	2.0
203.04184	1.0
207.01813	1.0
207.03630	0.8
207.05411	2.9
212.03928	0.8
219.01741	14.7
219.05124	1.5
221.05095	2.4
222.11221	1.0
223.04692	1.2
226.05972	0.9
231.03458	5.6
231.05429	3.4
237.02798	30.1
239.06104	2.1
242.03365	1.3
245.04918	1.1
249.04414	2.1
249.06584	1.5
255.03854	3.1
260.04419	1.8
263.06140	1.3
267.05359	1.4
275.06107	1.8
276.25406	0.8
289.05600	0.8
291.07468	22.3
291.10724	1.1
304.24588	0.9
307.06909	1.8
309.08557	77.8
310.08945	2.6
332.10263	5.6
336.06839	1.1
351.09637	33.7
352.09775	1.4
369.08887	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	4.1
55.05498	19.9
57.07064	11.0
57.83768	4.2
64.47544	4.9
65.03925	5.6
67.05501	41.1
69.07079	23.2
70.05322	23.1
70.76696	3.7
71.04984	7.1
76.89824	3.9
79.05499	44.9
80.78412	4.2
81.07049	65.9
83.04979	5.1
83.08585	9.5
87.34492	4.1
91.05473	61.5
93.07037	74.4
95.04977	26.2
95.08599	42.5
97.06519	14.6
105.07024	100.0
105.45741	4.4
107.08585	62.8
109.06505	22.0
109.10154	43.4
111.08054	4.2
115.05423	6.1
117.06979	21.1
119.08579	80.3
121.06463	6.0
121.10139	77.6
123.08060	25.6
123.11703	11.5
128.06145	5.3
129.06995	16.8
131.08560	54.3
133.10126	48.2
135.08040	14.2
135.11694	18.6
141.07008	8.2
142.07753	15.9
143.08556	38.3
144.09300	6.9
145.10126	58.1
147.08035	5.3
147.11682	18.6
149.09602	13.4
155.08498	13.1
156.09341	11.3
157.10155	33.8
158.10851	6.1
159.11708	28.9
161.09619	18.1
161.13260	9.8
168.09317	5.8
169.10112	23.8
170.10898	5.1
171.11708	17.9
173.09663	7.0
173.13264	17.9
175.14801	12.1
179.14363	32.3
180.09312	9.0
181.10112	13.8
182.10950	5.5
183.11674	16.8
185.13223	12.5
187.11244	4.6
187.14804	20.6
189.12801	5.9
193.10115	5.0
194.10825	8.0
195.11678	18.2
196.12390	5.7
197.13263	14.2
199.14880	9.5
201.12733	6.1
201.16432	8.8
209.13293	19.0
210.14058	5.6
211.14789	10.6
213.12813	4.7
213.16409	5.0
223.14848	9.2
224.83734	4.3
225.16295	4.5
227.14311	8.0
239.17920	9.1
265.19525	6.1
275.20068	8.0
349.25049	38.1
349.27490	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	350.0903
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.9
56.96545	3.7
57.03427	2.5
59.81513	0.7
61.02916	3.4
67.05506	6.3
69.03429	8.2
69.16029	3.3
69.16460	5.5
70.06577	1.3
70.99587	0.9
71.04988	1.0
72.27294	0.7
72.33526	0.7
73.02906	2.2
79.01131	0.8
81.03407	3.6
83.04995	0.8
84.08120	2.5
85.01127	1.1
85.02903	22.7
87.04448	1.9
91.03977	1.0
97.02895	7.0
98.21636	1.3
98.97580	6.3
99.02670	1.2
99.04420	1.9
107.04959	3.8
109.02868	2.3
110.97581	0.9
112.07594	1.7
115.03911	1.0
116.98602	4.1
124.03937	1.1
126.03716	1.7
127.03920	4.3
128.98602	2.7
130.08638	0.9
134.99635	1.1
140.01631	1.3
140.02779	0.7
140.90939	0.7
144.04779	1.3
145.04919	2.2
146.99629	1.4
158.99660	1.8
161.01204	1.6
170.02711	9.3
177.00710	1.6
188.03760	100.0
189.00661	1.3
189.04051	1.8
204.05292	0.8
213.00743	0.7
219.01755	2.3
221.18716	0.8
230.04817	2.3
237.02716	5.2
268.64410	2.3
309.08527	3.9
325.06134	0.9
350.09100	3.7
351.09787	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	12.6
55.05495	26.0
59.14577	6.1
61.69144	6.3
67.05507	50.7
67.47284	5.8
67.78774	6.8
69.03422	9.6
69.07056	23.4
71.50700	7.2
71.51156	10.4
77.65518	6.2
79.05484	39.3
81.07053	52.1
91.05473	41.0
92.73541	6.6
93.07039	75.6
95.04955	26.0
95.08606	70.0
97.06525	10.3
105.07025	100.0
107.08577	50.0
109.06528	20.1
109.10145	43.7
116.82626	6.4
117.07018	18.9
119.08569	90.0
121.06532	8.2
121.10148	85.8
123.08083	62.0
123.11726	19.4
128.06210	10.2
129.07022	14.3
131.08582	48.8
133.10121	50.9
135.08051	21.8
135.11661	15.4
142.07767	17.9
143.08551	28.6
144.09366	10.2
145.10129	52.3
147.08047	8.0
147.11696	22.2
149.09592	14.3
149.13237	8.1
151.07968	7.5
155.08537	12.3
156.09297	13.5
157.10139	50.6
159.11734	17.6
161.09537	15.6
161.13202	12.2
169.10120	15.1
170.10881	7.9
171.11702	23.7
173.09645	8.5
173.13280	18.4
175.14749	12.4
179.14285	75.7
181.10092	13.8
183.11673	20.3
185.13254	19.4
187.11217	7.6
187.14819	11.8
194.10899	11.3
195.11632	15.0
197.13269	16.6
199.14864	15.0
201.16383	8.0
209.13190	24.7
211.14777	12.0
225.16335	6.9
227.14328	13.6
235.14771	8.5
265.19293	10.5
275.20123	10.7
293.21298	9.7
349.27200	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	349.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79036	2.7
53.03934	10.9
55.01876	16.7
55.05512	56.0
57.03439	18.7
57.07061	4.1
59.04981	3.1
65.03930	4.9
67.05505	74.2
69.03400	7.6
69.07063	22.7
70.61570	2.3
71.04983	4.7
79.05495	99.1
81.03410	10.7
81.07056	60.0
81.22339	2.5
82.71796	2.4
83.04985	21.6
83.08619	16.8
85.06514	2.9
91.05479	52.1
93.06489	5.1
93.07037	67.4
95.01308	7.6
95.04950	11.7
95.08601	29.7
97.06532	10.8
97.10168	18.6
98.21560	4.4
101.22110	2.9
105.07022	55.9
107.04959	44.0
107.08591	51.2
109.06500	7.7
109.10150	25.5
111.08086	5.4
116.98445	5.0
117.06999	20.9
119.08576	37.2
121.06483	6.0
121.10154	24.0
123.08045	6.7
123.11692	5.2
125.09618	13.5
125.71777	3.0
129.07014	6.0
131.00011	13.4
131.08571	27.9
133.10114	30.8
134.48174	2.5
135.08037	10.9
135.11679	11.7
137.09665	5.0
137.71390	2.4
140.89468	2.2
140.98460	14.8
143.00005	8.6
143.08551	6.5
145.10103	24.0
146.99493	4.9
147.11694	18.1
149.09619	48.1
149.13202	3.9
151.11099	3.2
153.09137	4.4
154.99994	6.6
157.01488	3.5
157.10130	5.3
159.11682	12.9
161.01035	3.3
161.09602	3.2
161.13248	6.3
163.11211	5.2
163.14738	3.2
166.99959	5.6
169.01659	5.5
169.10100	3.7
169.12262	4.0
170.99522	3.3
171.11784	5.2
172.11952	2.7
173.11711	6.8
173.13226	5.8
174.99010	16.6
177.12714	6.1
179.14275	6.8
185.01027	7.0
187.11270	3.0
187.14995	3.5
189.00597	20.0
189.11261	6.8
191.14374	2.8
199.02644	6.7
201.00578	7.0
203.02147	11.1
207.13814	3.1
209.15392	5.6
212.02155	2.9
215.02020	2.7
217.03732	3.9
223.13278	3.0
225.04207	3.1
229.19553	5.7
233.77882	2.6
257.18942	12.0
265.07413	3.4
273.18527	5.4
275.20068	43.4
290.21185	3.4
293.10468	5.0
295.12000	5.7
308.22195	3.4
349.13077	100.0
349.23636	38.2
349.26956	3.8
350.13309	9.9
350.23465	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	349.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	15.6
55.01873	15.3
55.05513	31.9
57.02044	3.0
57.03440	18.5
61.16150	2.5
65.03919	5.8
67.05502	72.2
69.07069	67.8
70.80430	5.4
71.04980	6.0
79.05493	63.3
79.80380	2.5
81.02995	3.2
81.03420	33.1
81.07053	91.2
83.04979	11.2
83.08610	12.6
84.27614	2.4
85.06533	3.5
91.04903	4.6
91.05477	76.0
93.07044	62.6
95.01344	20.4
95.04967	19.8
95.08607	56.4
97.02876	3.3
97.06518	28.3
97.10174	6.8
105.07027	100.0
107.04955	36.5
107.08602	28.5
109.06512	8.7
109.10179	14.0
111.08064	2.8
117.07018	24.6
119.08575	50.1
121.06499	6.2
121.10138	11.2
123.04445	3.5
123.08061	18.3
125.09637	6.7
127.07596	2.8
129.07022	5.9
131.04895	3.0
131.08571	32.1
133.10129	57.6
135.08080	7.4
135.11685	12.8
137.09615	5.3
141.07018	4.4
143.08530	4.9
145.06454	6.4
145.10107	27.0
147.11693	25.3
149.09634	11.0
149.13248	9.8
157.10143	7.5
159.11696	23.4
161.13246	11.5
163.11197	10.0
166.84995	2.7
169.10104	7.7
173.13286	6.5
176.89728	2.5
177.12767	8.6
179.14296	26.7
185.13310	2.8
187.11194	7.2
195.13820	3.2
205.12189	3.7
219.13542	2.9
219.17642	2.7
229.19577	3.6
239.17920	4.6
247.20592	3.9
257.19028	15.7
275.17047	3.4
275.20044	64.4
287.30292	2.5
297.70435	3.0
309.36786	2.7
341.02151	2.8
349.23810	47.8
349.27515	5.8
349.34100	5.6
374.96204	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.1
55.01864	6.0
55.05269	1.4
55.05508	14.9
55.91443	1.0
56.96564	11.1
57.03196	1.4
57.03434	15.3
57.07055	3.0
65.03931	1.4
67.05502	39.7
69.03397	1.7
69.07065	20.1
70.64400	2.3
71.04986	2.5
71.95248	2.7
79.05492	30.5
81.03388	1.5
81.07053	42.0
83.04977	8.7
83.08617	7.2
83.54676	1.1
84.42882	1.0
85.06560	3.1
91.05474	32.1
93.07040	37.7
95.04951	9.9
95.08604	25.4
97.06526	4.3
97.10161	3.3
98.98474	5.2
105.04498	1.7
105.07025	27.5
107.04945	11.3
107.08589	26.3
109.06519	13.8
109.10148	10.3
111.08079	3.0
115.05400	1.2
117.07011	9.2
119.08577	16.9
121.05672	1.6
121.06493	16.3
121.10138	13.3
123.08064	7.3
123.11709	2.8
125.09653	1.4
129.07005	2.3
131.08556	21.6
133.06456	3.7
133.10109	21.6
135.08084	5.9
135.11676	7.9
136.54788	1.1
137.02721	1.3
137.09608	2.8
141.06950	1.2
143.08557	2.9
145.06482	2.0
145.10136	16.9
147.03267	1.2
147.08046	5.9
147.11670	12.8
149.09627	9.4
149.13235	7.5
151.11266	6.4
155.01025	5.2
155.08470	1.3
157.10120	5.3
159.08064	2.8
159.11674	10.6
161.09615	4.0
161.13199	4.1
163.11192	7.0
165.12718	1.6
169.10165	2.1
171.03258	1.4
171.11708	3.5
173.09619	3.5
173.13248	7.3
175.11189	3.7
175.14874	2.4
177.12740	5.5
179.14322	2.7
183.11710	2.2
185.04834	1.9
187.11183	2.7
187.14854	1.8
189.04353	1.6
191.14296	3.6
195.13782	1.9
199.06340	1.3
199.14757	1.3
201.12755	4.6
201.70396	1.1
205.16006	1.6
207.13795	4.2
213.07980	1.8
215.14374	1.6
215.17889	1.8
217.07657	1.3
219.13811	4.7
229.16064	1.4
229.19501	4.0
231.17438	1.9
239.17900	5.2
242.88268	1.1
247.20564	8.0
249.07846	1.2
255.09012	4.6
257.19006	16.2
267.09058	5.4
269.10550	6.6
273.10062	3.1
275.20050	100.0
276.20514	1.7
285.10098	9.1
287.11636	2.7
292.12100	2.0
293.21091	8.6
303.11166	1.4
331.15930	2.4
349.17188	9.4
349.23694	31.9
349.27286	2.7
350.19647	2.0
367.17905	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.4
55.01877	6.1
55.05510	12.4
55.22501	0.9
56.96560	3.3
57.03199	1.2
57.03441	14.7
57.07064	2.8
61.52525	0.8
65.03938	1.7
67.05502	31.5
69.03430	2.8
69.06685	1.1
69.07066	19.2
70.64268	1.7
71.04987	2.7
79.05492	26.3
79.52309	0.9
81.07053	37.1
81.07536	1.9
83.04977	7.3
83.08630	4.4
85.06526	2.1
91.05476	26.5
91.06026	1.7
93.07040	31.8
95.04951	9.5
95.08607	23.6
97.06518	5.6
97.10165	2.0
105.07027	27.4
105.07698	1.8
107.04951	11.1
107.08591	19.9
109.06511	11.1
109.10156	9.3
110.11561	1.1
111.08076	2.0
117.07001	10.8
119.08576	17.6
121.06503	13.3
121.10120	10.2
123.08077	6.6
123.11721	2.6
129.07007	3.2
130.07860	1.1
131.08562	18.8
133.06500	3.8
133.10127	20.7
135.08051	5.8
135.11713	5.9
137.09647	3.5
141.06998	1.5
143.08598	4.9
145.06502	2.8
145.10110	15.4
147.08076	3.7
147.11702	12.7
147.81145	0.8
149.09599	6.2
149.13211	4.1
151.11205	6.6
155.08543	2.3
157.10187	3.3
159.08046	3.8
159.11687	10.1
161.09604	3.3
161.13214	4.0
163.11147	6.6
163.14818	1.1
165.12767	1.5
169.10147	1.1
171.03249	0.9
171.11699	3.1
173.09645	2.9
173.13316	6.1
175.11198	2.7
175.14824	0.9
177.12756	3.3
179.14291	1.1
183.11679	2.5
187.11249	3.0
187.14818	2.0
189.12776	1.7
191.14388	2.4
197.13354	2.4
199.06439	1.2
199.14851	0.9
201.12808	4.1
205.19495	1.4
207.13818	3.3
209.07254	0.9
209.99028	0.9
213.08012	1.1
213.16476	0.9
215.14388	2.5
215.17868	1.6
217.15930	1.0
219.13797	4.9
229.07556	2.2
229.09717	0.9
229.16142	1.0
229.19543	3.1
231.09036	2.3
239.17911	4.8
247.08583	1.6
247.20586	4.5
247.97539	0.8
255.09050	1.0
257.18994	16.2
267.09262	1.1
269.10712	1.2
273.10129	1.2
275.20053	100.0
276.20377	2.1
277.26273	0.8
293.21057	7.5
321.14670	0.9
349.16910	3.2
349.23746	29.3
350.24454	1.0
367.17960	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	9.6
55.01875	21.0
55.05509	43.2
57.03428	24.4
57.07093	3.4
58.00013	2.6
58.26538	2.2
59.04991	3.6
65.03938	3.6
65.19505	2.2
67.05505	64.6
67.83173	2.2
69.03431	3.7
69.07063	44.1
71.05001	4.1
71.51521	3.6
76.74484	2.1
79.05489	99.2
81.03409	8.4
81.07044	66.2
83.04984	13.3
83.08615	17.3
85.06535	5.2
91.05479	79.1
91.06030	4.5
93.07034	65.6
95.01305	2.7
95.04967	16.5
95.08603	36.5
97.06529	24.1
97.10167	18.4
98.98444	3.2
103.05470	3.5
105.07027	90.3
107.04964	25.4
107.08587	100.0
109.06508	12.8
109.10158	21.1
111.08089	6.3
115.05434	3.5
116.06232	2.8
117.07011	26.3
119.08572	43.4
120.08133	3.9
121.06534	7.9
121.10153	22.5
123.08059	4.0
123.11703	4.6
125.09616	17.5
129.06973	11.4
131.08554	33.1
133.06505	2.5
133.10123	48.1
135.08063	6.5
135.11700	13.1
137.09639	2.9
141.49181	2.9
142.07907	3.6
143.08580	11.0
145.10118	73.6
147.11678	34.0
149.09621	28.6
149.13260	10.1
151.11200	2.5
155.01096	4.9
155.08548	3.9
157.10205	7.3
159.11688	36.1
161.09572	4.4
161.13295	9.0
163.11163	16.0
167.08670	3.1
169.10112	5.5
171.11705	13.6
173.11871	3.6
173.13208	13.8
177.12825	5.9
179.14375	6.9
183.11604	11.5
185.13309	9.3
187.11217	3.7
187.14832	3.1
189.11206	11.3
191.14331	3.1
195.11763	4.0
195.13805	2.4
197.13322	7.3
201.16495	2.7
217.20731	2.4
219.17517	6.4
229.19656	6.0
239.17975	17.1
247.20589	4.9
257.18994	51.1
274.58905	2.3
275.20059	89.2
331.22830	5.6
349.10760	4.8
349.14648	2.8
349.16327	2.8
349.20230	8.2
349.23849	82.3
350.23642	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	348.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	10.5
55.05495	18.1
57.03418	19.4
60.28782	4.7
62.75352	4.8
67.05500	74.9
69.03400	4.7
69.07047	18.2
70.17590	18.6
71.04988	5.0
77.26391	5.4
79.05484	27.1
81.07053	45.0
83.04948	7.9
83.08603	19.1
91.05450	21.0
93.07018	22.0
95.04928	7.2
95.08587	19.1
97.06512	9.7
97.10152	11.9
98.21362	5.4
99.08079	6.6
105.07024	12.7
107.08564	22.9
109.06513	8.1
109.10149	64.9
117.06989	5.9
119.08581	24.0
121.10147	11.1
123.11705	7.0
125.09628	9.8
131.08548	6.8
133.10115	14.2
135.11684	7.8
142.19440	4.7
147.11627	7.0
151.11183	8.0
155.10657	18.2
159.11702	5.8
161.13252	6.0
167.72826	5.0
173.11746	100.0
179.14301	6.0
189.11179	9.8
195.13824	11.3
213.14867	7.3
275.19992	15.5
277.21811	27.8
295.22531	11.2
348.18277	6.2
349.19965	7.9
349.23770	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	349.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.6
55.01866	4.8
55.05512	9.2
57.03440	9.9
57.07066	1.6
65.03947	1.6
67.05504	24.9
68.05003	1.3
69.03425	2.9
69.07073	14.7
71.05010	1.8
71.23898	2.4
71.90424	1.4
79.05489	21.3
81.03395	2.3
81.07048	28.1
83.04967	5.1
83.08619	6.2
85.06508	1.8
91.05470	20.5
93.07048	24.3
95.04967	8.1
95.08606	14.3
97.02935	1.4
97.06505	7.4
97.10139	1.6
98.98443	7.8
105.07014	21.2
107.04921	6.4
107.08586	17.1
109.06546	6.3
109.10154	7.7
111.08092	1.7
117.07019	8.5
119.08581	10.6
121.06516	7.6
121.10128	8.5
122.43225	1.3
123.08087	3.9
123.11716	1.6
125.09611	2.4
129.07019	2.8
131.08562	11.6
133.10136	13.0
135.08075	3.1
135.11705	4.2
143.08578	2.3
144.81091	1.3
145.10147	11.3
147.08075	1.5
147.11690	8.4
149.09618	6.5
149.13275	7.1
151.11137	2.2
155.01042	8.4
157.10130	1.8
159.11673	7.7
161.09592	2.8
161.13310	3.4
163.11215	7.1
165.09085	2.2
167.39812	1.3
171.11745	3.2
173.13226	3.4
175.11143	1.4
177.12798	5.3
179.14282	1.8
183.11691	3.0
187.11211	1.8
195.13843	3.2
201.12851	1.9
215.17905	1.6
229.19402	1.9
239.17981	2.1
247.20638	2.6
257.18964	9.5
269.12476	3.0
270.49670	1.5
271.12137	1.9
275.20065	37.6
293.21133	2.9
301.76508	1.4
307.18964	1.3
331.18942	1.4
331.22650	1.5
349.19870	100.0
349.23755	17.1
350.16022	3.5
350.20239	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	347.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90655	2.5
55.01865	3.0
67.05505	6.3
69.46672	3.0
69.73701	11.0
69.74113	7.2
79.05489	5.1
81.07074	4.7
91.05487	11.8
92.12891	3.7
93.07040	6.5
93.79379	3.0
94.04202	3.2
95.04997	7.7
95.08632	4.1
103.05461	11.2
105.07028	6.8
107.04974	5.9
109.10101	2.8
119.04958	12.9
121.06524	5.4
121.10242	2.7
122.03663	5.4
123.04444	6.4
130.04134	5.6
131.04929	24.8
133.02852	3.7
133.06448	5.0
133.62373	3.0
137.05975	100.0
138.06358	6.4
145.06538	3.3
147.04425	51.9
147.08051	5.6
148.04762	3.2
149.05940	13.7
151.03915	12.2
151.07491	9.7
153.05467	4.7
161.05991	11.2
162.06752	38.4
163.03969	3.9
163.07542	20.4
165.05478	5.5
167.07062	9.9
175.07475	18.8
177.05472	4.9
179.07014	8.6
181.06450	3.6
181.08464	2.8
185.11787	5.6
187.07341	2.7
189.09087	2.8
193.08633	6.9
201.63330	2.5
205.08578	3.9
241.08687	2.5
251.06992	3.1
254.09634	2.9
301.10947	3.7
311.12778	3.1
315.70230	3.8
347.12308	10.3
353.12015	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	347.149
Annotation	Metasequirin D
Peak:m/z	Relative Intensity
65.03928	2.4
67.05490	2.5
71.06931	2.1
71.50904	3.7
72.67128	2.2
79.05499	3.8
81.07045	3.2
85.06535	2.2
91.05483	11.2
93.07012	3.8
95.04961	3.1
103.05473	13.7
105.07019	7.3
107.04934	3.1
109.10133	2.8
115.05475	2.5
119.04932	11.6
121.06515	6.8
122.03641	8.1
123.04417	5.7
129.07005	3.4
130.04169	5.3
131.04927	28.0
133.02815	2.7
133.06508	3.5
135.04416	2.5
137.05980	100.0
147.03256	3.9
147.04413	59.3
147.08009	4.1
149.05992	10.4
150.06776	4.0
151.03934	5.4
151.07535	6.9
153.05475	3.2
161.05945	12.4
162.06750	35.2
163.03935	4.2
163.07555	18.5
167.07030	6.7
167.10779	2.9
175.07584	20.3
177.05443	2.8
179.07051	7.8
185.11717	5.0
191.06979	2.9
193.08702	11.3
205.08591	5.7
211.07570	3.1
299.12793	4.7
311.12848	3.3
317.13773	3.0
345.39044	2.7
347.12192	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	347.1486
Annotation	CHEMBL1668115
Peak:m/z	Relative Intensity
53.03934	2.7
55.01852	5.5
69.03429	3.7
69.07045	2.2
69.84818	6.7
69.85228	5.5
77.03896	2.7
78.04669	5.2
79.05479	18.1
81.03416	2.5
81.07050	5.2
91.05480	32.6
93.07030	16.3
95.04958	10.0
95.08579	2.1
97.06511	2.9
103.05463	14.6
105.07011	7.2
107.04953	40.9
107.08598	2.3
115.05469	3.8
117.07004	6.6
119.04922	10.0
119.08571	8.3
120.05711	3.7
121.06486	27.9
122.03630	2.3
123.04420	26.6
124.05215	6.1
125.05959	3.3
128.06197	9.8
129.06998	36.8
131.04909	5.8
131.08546	7.9
132.05725	2.6
133.02843	5.8
133.06512	4.7
135.04417	6.1
135.07997	4.0
135.74651	2.2
136.05226	3.1
136.06183	4.2
137.05946	24.9
138.03085	2.7
138.06773	2.5
140.04684	2.2
143.04924	2.9
145.06436	7.6
147.04398	55.3
147.08032	13.2
148.05081	3.3
149.05952	28.2
151.03853	9.5
151.07509	10.9
152.04691	5.5
152.06169	4.5
153.05441	25.0
153.06831	5.1
154.06244	2.8
155.07079	3.8
157.06519	20.5
160.05211	4.0
161.05975	12.5
163.07520	10.2
165.05447	7.6
165.06970	11.4
166.06261	8.0
167.07030	100.0
167.08440	6.2
168.07390	3.6
169.06567	3.2
171.08064	3.4
175.07526	86.3
177.05537	2.6
177.06961	4.8
177.09079	3.0
179.06999	8.3
179.08456	3.1
180.07774	11.9
181.06512	12.7
181.08588	84.4
182.07277	4.6
182.08888	4.7
183.08002	5.1
189.09108	3.6
190.07773	3.3
191.08586	6.6
193.06822	2.9
193.08629	11.6
194.07239	5.8
195.08008	11.1
196.08667	2.8
197.05957	7.8
198.06708	4.2
207.08124	2.9
208.08723	4.2
209.06001	4.8
209.09515	3.0
210.06693	3.6
211.07500	12.5
213.05429	2.8
213.09048	4.0
219.08099	5.1
221.05891	3.7
222.06708	2.9
223.07533	11.0
223.11079	4.2
224.08215	2.4
225.05489	3.7
225.08974	5.0
226.06224	7.8
227.06984	6.1
228.07846	3.6
233.09540	2.5
236.08310	3.2
237.05515	4.4
237.09003	5.8
239.06979	8.6
240.07689	7.5
241.08488	6.7
243.10135	9.5
247.07407	2.6
251.06924	6.2
251.10658	6.6
253.08574	5.6
256.07190	6.2
265.08588	3.9
268.07257	4.0
269.08069	17.0
269.11636	4.5
270.08569	3.3
271.06970	2.5
271.09634	16.6
279.10172	4.2
283.09634	6.6
283.13174	6.0
285.11093	3.0
287.08926	2.8
288.09793	5.4
297.11084	7.0
299.09091	9.6
299.12195	2.6
300.10156	2.9
301.10529	29.5
303.12244	7.7
315.11212	4.8
317.13828	2.9
329.13672	18.9
347.14865	21.0
348.20142	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	346.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	21.7
65.90108	14.9
67.05511	92.6
67.89108	15.4
69.07037	29.7
79.05491	35.1
81.07047	54.4
91.05486	44.0
93.07043	39.0
95.08617	34.1
105.07018	19.3
107.08573	58.2
109.10152	51.8
116.20835	22.6
155.10643	27.3
173.11745	100.0
195.13805	30.9
229.14447	20.8
275.19977	77.1
345.18726	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	347.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.7
55.05515	0.8
56.96557	4.4
57.03421	0.9
57.07087	0.7
60.04512	1.3
61.02911	1.1
67.05510	1.4
67.97124	0.6
69.03419	2.8
70.06588	1.6
71.50893	0.8
72.08145	4.5
73.02892	1.2
74.06070	0.9
77.00930	1.0
79.05491	1.3
81.03404	2.1
82.99873	1.8
83.04980	0.6
84.04488	1.8
84.08141	1.6
84.96021	0.9
85.02900	6.8
86.09698	2.8
89.03905	1.0
95.04950	1.3
95.06109	0.6
97.02905	3.8
98.97584	5.0
101.00873	10.7
104.16297	0.6
107.04967	0.9
109.02859	1.0
109.07677	0.8
113.03487	3.2
114.05544	1.1
115.04013	0.6
116.98602	3.3
118.36993	0.6
119.01923	29.0
123.04442	0.9
127.03897	2.0
128.98627	1.3
129.10255	1.3
130.04982	1.6
130.06525	0.7
131.01895	2.3
133.03519	0.7
134.99658	1.6
135.04469	1.8
136.06197	6.1
137.02965	4.0
137.05981	1.2
139.72458	0.7
142.03506	0.8
143.01898	67.1
144.02045	1.1
145.04958	1.2
146.99648	0.9
147.07671	2.0
155.01924	1.4
158.99661	1.9
159.03355	0.7
161.02957	100.0
161.92130	0.6
162.03143	2.3
163.02707	1.2
163.03885	7.2
165.00679	0.7
167.07019	1.1
169.06100	0.8
173.02979	2.1
173.12912	1.1
177.00739	2.7
177.05704	1.0
183.08656	0.7
184.04536	8.2
184.06004	0.9
185.01266	1.4
185.04634	0.7
185.06551	1.7
185.09175	3.3
197.06537	0.9
203.04015	46.5
209.06641	0.7
215.06615	1.1
219.01733	3.1
221.03130	0.9
221.05081	2.3
227.07675	1.8
237.00757	0.7
237.02780	2.0
245.05020	1.1
255.01724	1.2
257.06769	0.8
263.06113	0.7
273.02878	0.8
285.07544	0.7
287.09760	15.6
288.10245	0.7
303.07477	0.9
305.10718	2.0
329.18210	0.7
347.12234	3.3
348.07214	1.1
361.82962	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.1
55.05490	3.9
57.03427	4.7
66.86656	2.4
67.05500	24.1
68.49921	2.0
69.03416	11.9
69.07053	6.5
70.47815	2.5
70.48155	8.8
71.04979	3.7
73.02884	2.8
79.05498	7.4
81.03416	19.9
81.07048	17.7
81.97897	2.3
83.04960	4.4
83.38836	2.3
85.02903	6.4
91.05476	6.0
93.07073	6.6
93.23481	2.5
94.04196	2.8
95.04948	4.8
95.08610	12.1
97.02872	3.7
103.05469	11.3
105.07013	6.3
107.04948	4.5
107.08595	4.9
109.02867	9.5
109.06523	6.3
109.10156	53.8
115.05455	3.8
119.08585	5.3
121.06499	4.6
121.10092	3.4
122.03658	8.7
123.04364	2.6
124.64574	2.0
125.05993	2.4
127.03894	6.6
129.07042	2.9
131.04906	13.4
133.06485	14.2
135.08055	4.4
137.05978	93.6
137.09604	100.0
138.06345	4.0
139.03827	3.0
139.42757	2.7
145.05093	2.0
145.06436	3.4
149.05862	2.4
151.07507	6.9
153.05530	4.6
155.10661	8.2
159.04359	2.3
160.16423	2.6
161.06013	4.9
163.07518	25.0
165.06976	2.2
165.09105	56.0
167.07027	4.8
173.05991	21.5
175.07558	5.9
181.06398	3.5
183.10147	3.0
189.09111	3.5
191.07059	3.6
193.10074	4.1
197.05995	4.2
201.05482	19.3
201.11208	5.3
207.08087	3.9
210.06689	3.1
211.07596	4.0
213.05519	2.3
217.04993	4.3
221.09586	8.9
223.07477	3.9
225.09081	4.6
227.06993	3.0
229.04964	6.0
235.07484	3.0
237.09056	2.7
239.06932	4.4
239.10583	12.5
243.06462	2.9
255.06494	3.2
255.10164	2.8
267.10101	10.8
269.08133	2.5
283.09750	8.3
285.11307	4.0
299.09186	8.6
299.12820	10.4
301.10657	3.0
313.10718	5.7
327.11942	16.1
328.12469	2.7
345.06320	3.6
345.13416	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	345.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
69.36265	10.2
69.36691	2.7
77.68421	1.5
79.05489	2.5
81.03381	2.5
81.07044	3.0
91.05475	7.0
93.07059	2.5
94.04182	2.0
95.08603	1.8
103.05459	13.6
105.07057	1.8
107.05007	2.1
107.08593	1.4
111.04444	3.0
114.98350	1.4
115.05470	3.4
117.07030	6.6
119.04993	1.7
119.08606	1.6
121.06522	3.2
122.03638	5.3
123.08034	2.7
126.72721	1.5
128.06210	1.8
131.04922	22.1
135.08018	1.7
137.05977	51.3
137.09593	1.5
139.75359	1.4
149.06010	1.8
151.07555	15.1
161.05917	3.8
162.06752	4.5
163.03932	1.7
163.06157	2.0
163.07536	38.6
164.07906	1.7
165.07047	1.8
165.09109	2.0
167.07100	1.4
171.08035	2.0
175.07553	5.3
176.07736	1.3
177.09102	100.0
178.09425	2.8
191.07039	2.7
195.08516	1.3
195.10179	8.3
196.21414	1.4
203.10645	1.8
207.08115	1.5
210.06732	1.7
221.11714	4.5
253.08423	2.3
267.09964	3.6
281.08096	1.7
285.11157	1.6
295.09412	2.5
299.09302	2.2
299.12714	3.6
313.10513	4.6
327.12140	2.3
345.13251	4.3
345.16879	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	345.1333
Annotation	Chushizisin F
Peak:m/z	Relative Intensity
55.05509	2.2
59.52320	1.5
63.90319	1.9
65.03942	6.1
67.05503	3.1
68.02645	1.5
69.03423	3.0
69.24174	14.3
69.24590	4.7
73.04591	1.6
79.05486	3.9
81.03400	7.1
81.07026	5.1
85.02915	3.6
91.05478	7.5
93.07043	3.7
95.04958	3.8
95.08591	3.3
95.53499	1.6
96.02093	4.9
103.05452	5.0
105.06980	2.0
109.10130	4.3
111.04437	30.2
115.05452	2.2
119.04880	1.8
119.08575	3.1
121.06516	4.3
122.03723	2.0
123.04390	3.7
129.06990	5.5
131.04924	9.2
137.05992	21.9
137.09612	5.4
139.03906	19.0
141.07001	3.4
144.05678	3.6
145.06520	5.7
147.04436	1.9
147.08078	3.4
151.03891	3.7
151.07451	2.1
152.06186	3.7
153.05623	3.1
153.06982	8.4
155.08546	2.8
157.06471	6.2
159.04475	2.4
159.08061	8.0
160.08842	4.3
161.05984	6.1
161.09566	2.2
163.03893	8.2
163.07584	4.0
163.35921	1.7
165.06993	6.9
165.09152	5.1
166.07735	2.2
167.03406	7.7
167.07106	3.4
167.08554	4.8
168.05740	7.5
169.06476	5.6
171.08070	2.5
173.02307	4.1
175.07619	3.8
178.07803	5.5
179.08580	5.9
181.06468	12.7
182.07219	5.4
183.08017	4.9
185.05969	7.3
185.09555	2.2
187.03972	2.9
187.07590	10.0
188.08290	9.5
189.09059	5.7
191.07076	5.2
194.07315	3.2
195.08002	8.6
196.05196	6.0
196.08789	5.6
197.05954	6.0
197.09625	3.0
197.58040	1.9
198.06760	19.3
199.07506	6.1
200.08305	4.8
201.05305	2.0
206.07257	3.5
206.09276	2.2
207.08066	9.8
208.08763	3.9
209.05991	5.4
209.09583	2.5
210.06837	8.4
211.07532	13.4
211.11143	6.3
212.08154	1.8
213.05428	11.2
213.09081	6.2
215.07057	3.6
221.09560	3.9
223.07593	6.7
223.11064	1.7
224.04758	2.6
224.08261	8.9
225.05473	5.7
225.09088	5.2
226.06256	7.7
227.07045	7.5
227.10655	2.4
228.07858	6.5
234.06804	2.4
235.07547	6.2
236.08212	3.4
237.05507	3.8
237.09178	4.9
238.06268	4.3
238.09908	11.0
239.07043	24.0
239.10617	18.6
240.07834	13.0
241.04967	7.5
241.08563	14.9
243.06578	17.0
249.09161	4.7
251.06932	4.8
252.07787	5.8
253.08609	14.8
253.12173	4.4
254.05742	2.9
255.06471	5.3
255.10069	2.9
256.07327	22.2
256.10840	3.8
257.07898	2.5
258.08920	2.4
263.07098	2.6
266.09332	3.9
267.06592	7.0
267.10150	38.2
268.07327	23.2
268.10391	2.7
269.08096	31.5
270.08768	3.3
271.09695	6.4
271.13385	7.7
281.08072	7.6
281.11646	5.3
283.09567	2.8
284.06970	4.0
284.10358	12.5
285.11108	5.6
286.05066	2.3
286.08218	8.7
295.09714	15.2
296.10364	12.8
299.09131	100.0
299.12720	21.5
300.09656	3.4
309.11237	3.0
312.09863	1.9
313.07465	2.3
313.10696	36.1
314.11462	3.3
327.12274	88.2
328.12595	2.4
345.10236	3.0
345.13327	67.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1331
Annotation	Moracin R
Peak:m/z	Relative Intensity
57.03431	1.8
65.03921	6.3
70.67089	5.6
79.05481	2.4
81.03398	2.5
81.07086	2.1
85.02906	2.2
91.05476	5.3
93.03420	3.5
95.08646	2.4
96.02094	7.0
103.68553	1.7
107.01266	2.6
109.02885	2.6
111.04445	23.4
112.32900	2.2
115.05417	2.2
117.07025	3.0
121.24245	1.9
123.04357	2.8
128.06200	2.2
129.07010	2.4
131.04903	3.7
131.08484	2.2
137.05974	12.3
137.09634	2.5
139.03893	16.0
141.07060	2.2
145.06505	3.2
151.07544	3.3
152.06219	2.6
153.01788	3.2
153.06970	6.8
155.08530	4.6
157.06483	3.1
158.74968	2.1
159.08028	7.7
160.08803	4.1
161.05983	6.5
163.03926	2.4
165.06970	6.8
165.09082	3.5
167.03424	4.2
167.07022	4.0
167.08469	5.1
168.05768	4.6
169.06471	5.8
171.08095	2.5
173.05983	2.6
174.06784	2.3
175.07553	3.4
178.07758	4.3
179.08553	6.3
181.06425	9.2
182.07249	2.5
183.08041	3.8
184.05219	2.1
185.05965	6.6
185.09660	2.7
187.07588	4.6
188.08307	6.1
189.09132	4.1
191.07004	2.4
194.07458	2.0
195.07994	6.7
196.05196	5.2
196.08862	6.0
197.05942	8.3
197.09608	3.4
198.06781	22.2
199.07521	2.9
200.08318	4.0
206.07338	3.8
207.08089	10.6
208.08806	3.9
209.05913	4.8
209.09399	2.0
210.06743	3.5
211.07594	12.2
211.11148	6.1
212.08339	2.7
213.05505	10.3
213.09091	6.1
215.06998	3.0
221.09641	4.3
223.07510	6.3
224.04735	3.2
224.08362	7.2
225.05360	5.1
225.09032	4.7
226.06227	8.2
227.06999	5.4
227.10706	3.8
228.07751	4.8
235.07483	5.9
236.08316	2.0
237.05472	3.8
237.09106	5.0
238.06180	3.8
238.09943	9.2
239.07025	31.2
239.10654	17.3
240.07788	12.9
241.04936	7.7
241.08559	16.3
242.05806	2.5
243.06514	14.8
249.09084	5.4
252.07855	5.7
253.04842	3.9
253.08582	12.7
253.12332	3.5
254.05812	3.1
255.06517	26.1
256.07275	25.7
256.11069	2.6
257.07880	2.8
263.06870	2.5
265.08615	3.0
266.09717	2.2
267.06595	6.0
267.10150	30.9
268.07355	26.3
268.10193	3.8
269.05109	3.5
269.08060	28.8
271.06067	2.3
271.09506	7.8
271.13165	6.1
280.07150	2.2
281.08069	3.7
281.11618	4.7
283.06104	4.7
283.09393	3.0
284.06723	14.8
284.10358	8.7
285.11188	5.3
286.05106	2.8
286.08389	7.4
287.05478	4.3
295.09708	12.0
296.10464	12.7
299.05484	21.2
299.09109	100.0
299.12708	19.1
301.03192	2.2
301.06992	5.2
311.05603	5.9
312.06314	2.5
313.10739	23.4
315.04962	30.0
317.13727	3.4
327.12280	67.5
329.06561	10.3
330.07260	5.5
339.99521	2.1
345.09604	98.4
345.13361	46.3
346.10043	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	345.1333
Annotation	Chushizisin F
Peak:m/z	Relative Intensity
55.01725	1.4
55.01972	2.0
64.45365	0.7
65.03696	1.1
65.04066	4.3
67.05583	0.9
68.02746	1.1
69.07171	0.9
69.86832	1.7
69.87246	3.1
79.01972	1.1
81.03515	1.6
81.07150	1.2
83.05093	1.2
85.03042	1.8
91.05148	0.9
91.05640	2.4
93.03554	2.5
95.05070	1.4
96.02268	5.3
105.07138	0.9
106.62715	0.8
107.00813	0.9
107.01476	2.4
111.03788	1.8
111.04613	23.7
115.05652	1.4
117.07111	1.0
119.05076	1.0
121.06647	1.2
123.04588	1.9
128.06410	1.1
129.07155	3.1
137.06190	4.0
139.03902	12.3
141.05692	1.0
141.07082	1.9
142.07990	1.0
143.05057	0.9
144.05789	1.9
145.04585	0.7
145.06511	3.6
146.07423	1.1
147.04518	0.8
147.08165	1.1
149.06137	1.3
152.06294	1.4
153.05663	2.3
153.07188	4.9
154.07858	1.8
155.04999	1.1
155.08658	1.9
157.06493	4.8
158.07405	0.9
159.08078	5.4
160.08826	4.7
161.05972	7.0
161.09776	2.7
162.06744	1.4
163.04167	1.2
165.06990	5.2
166.07887	1.1
167.03432	6.3
167.07362	1.5
167.08757	3.3
168.05710	5.0
169.06664	3.2
170.07346	1.5
171.08202	2.4
173.06078	1.9
174.06970	1.2
175.07629	1.5
178.07803	4.4
179.08604	6.2
181.06496	8.5
181.10121	0.8
182.07465	2.7
183.04626	1.2
183.08061	4.6
184.05373	1.5
184.08966	1.1
185.06021	7.6
185.09837	2.3
187.07590	5.4
188.08295	8.2
189.07220	1.2
189.09271	2.8
191.08698	1.1
193.06741	1.1
193.10281	0.9
194.07401	1.2
195.08047	5.8
196.05222	4.9
196.08875	4.1
197.05937	6.0
197.09637	3.7
198.06769	17.4
199.07707	2.9
200.08511	2.8
205.06610	1.4
206.07440	3.4
207.04567	1.2
207.08099	6.7
207.09970	1.1
208.05440	0.9
208.08966	2.4
209.06052	6.1
209.09686	2.1
210.06740	5.0
210.10474	1.4
211.07558	11.1
211.11142	4.5
212.08511	2.8
213.05502	7.8
213.09044	4.0
214.06548	1.2
215.07253	1.8
217.97119	0.7
219.08243	1.2
221.06123	1.2
221.09618	4.6
222.06815	1.2
223.07489	7.8
223.11401	1.2
224.04887	2.7
224.08298	6.6
225.05614	2.9
225.09265	2.8
226.06239	7.9
227.07031	5.4
227.10724	1.0
228.07857	5.5
228.11452	1.1
234.06860	1.7
235.07526	5.0
236.08417	3.0
237.05525	1.8
237.09261	3.5
238.06218	3.9
238.09856	9.7
239.07184	22.6
239.10828	18.4
240.07823	10.5
240.11391	0.8
241.05025	6.5
241.08578	14.4
241.10683	1.1
243.06552	15.8
243.09245	0.8
243.10339	2.0
249.09134	5.1
251.06981	4.1
252.04427	1.3
252.07950	5.3
253.04999	2.0
253.08644	11.3
253.12135	4.8
254.05872	2.7
254.09512	1.2
255.06593	4.9
255.10211	1.7
256.07465	18.3
256.11078	2.5
257.08139	2.6
258.09039	2.5
263.07254	1.3
265.08755	2.0
265.40216	0.9
266.09558	2.1
267.06741	5.1
267.10294	27.9
268.07327	24.8
268.10913	3.6
269.08069	29.1
270.08798	2.4
271.03323	1.0
271.06625	1.0
271.10025	5.6
271.13135	7.0
277.08789	1.6
281.08194	4.8
281.11853	4.9
282.08688	0.9
283.09674	2.3
284.06924	3.9
284.10535	9.8
285.11325	2.5
286.08438	6.2
295.09619	10.1
296.10422	11.0
297.07773	1.2
297.11136	1.2
299.09225	100.0
299.12842	18.7
300.09552	3.0
309.11301	2.2
312.10016	2.8
313.10678	21.0
317.13791	1.9
327.12274	74.1
328.12683	2.7
345.13321	42.4
346.13748	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	345.1333
Annotation	Chushizisin F
Peak:m/z	Relative Intensity
55.01843	2.2
65.03929	6.2
67.05486	3.7
70.82475	4.4
79.05477	3.7
81.03433	2.7
81.07050	2.7
84.99811	1.6
85.02896	3.0
91.05455	5.7
93.07053	1.8
95.04960	3.4
95.08604	2.5
96.02108	2.4
97.02881	2.0
98.88242	1.7
103.05446	4.3
105.07014	3.2
107.04962	3.9
107.08580	2.2
109.10128	1.8
111.04432	16.1
112.05894	1.7
115.05411	3.3
117.07009	2.9
121.02850	5.1
121.06474	3.3
122.03675	1.9
123.04408	4.3
129.06978	5.1
131.04910	8.1
137.05975	23.1
137.09624	3.4
139.03922	9.9
145.06456	7.8
147.04410	2.6
151.03896	3.0
151.07547	3.6
152.06168	2.6
153.05534	1.6
153.06982	4.1
155.08556	4.0
157.06522	3.6
159.08072	4.2
160.08868	3.5
161.05991	5.6
161.09607	2.7
163.03860	4.1
163.07526	10.2
165.05676	2.8
165.06970	9.3
165.09106	2.8
167.03415	3.0
167.07045	6.4
167.08530	4.4
168.05679	4.3
169.06519	4.6
171.07951	2.0
173.02376	2.0
173.05974	3.0
174.06775	1.8
175.07527	3.1
177.09079	17.9
178.07809	5.7
179.08531	6.9
181.04942	10.5
181.06493	10.4
182.07234	2.9
183.08089	6.4
185.05927	3.2
187.07489	3.3
188.08273	5.2
193.06546	2.5
193.10007	2.7
194.07214	2.7
195.08054	7.4
196.05231	3.6
196.08786	4.6
197.06042	8.6
197.09630	2.3
198.06778	15.0
199.07433	2.2
201.05554	1.8
205.06494	2.4
206.07256	4.1
207.08031	11.6
208.08925	2.0
209.05948	5.8
209.09651	1.8
210.06702	9.8
211.07506	15.1
211.11134	5.1
212.08171	3.2
213.05464	8.8
213.09085	5.1
221.05984	1.9
221.09573	5.8
222.06969	2.1
223.07559	8.0
224.08270	9.9
225.05498	4.6
225.09103	3.5
226.06233	15.4
227.06909	4.9
228.07820	1.8
233.05893	2.5
234.06671	4.0
235.07515	7.0
237.05463	2.4
237.09149	3.2
238.06270	4.3
238.09923	3.8
239.07019	38.0
239.10658	17.3
240.07689	10.0
241.04967	6.4
241.08585	11.9
243.06493	13.0
249.09119	4.1
251.06927	5.3
252.07765	6.8
253.04875	2.6
253.08583	8.4
253.12105	1.7
254.05760	3.8
255.06482	10.3
255.10074	2.3
256.07306	14.2
258.08789	1.7
263.07065	1.9
265.08438	2.3
266.09338	1.8
267.06503	8.7
267.10132	24.9
268.07346	16.6
268.10248	3.0
269.08096	21.2
269.10950	2.5
270.08682	2.1
271.05960	2.5
271.09698	3.8
271.13196	2.0
281.08179	4.4
281.11725	3.9
283.05972	3.5
284.06995	7.7
284.10339	6.6
285.11221	10.7
286.08279	16.2
295.09576	8.8
296.10391	8.3
299.09122	100.0
299.12732	44.3
300.09595	2.4
300.12964	2.0
313.10699	45.5
317.13727	6.3
327.12256	74.0
328.12582	2.5
336.36826	2.0
345.13275	71.5
346.13693	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	344.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	17.5
56.05045	9.8
57.07069	15.1
59.64188	4.5
59.86203	5.1
67.05492	21.8
67.49305	5.6
69.07061	13.4
70.06579	17.1
71.08621	17.9
71.50826	7.0
74.06065	19.8
79.05484	18.8
81.07042	29.2
83.04939	8.7
83.08567	7.1
83.67340	5.1
88.07622	69.0
89.52275	5.3
91.05493	10.2
93.07032	21.7
95.04910	6.0
95.08611	14.5
97.06547	5.4
99.08124	7.6
100.11250	7.2
105.07050	9.7
106.08682	6.9
107.08627	5.6
109.10108	6.4
117.06964	6.2
117.67112	4.7
119.08548	11.2
131.08553	6.4
135.11641	8.0
139.11212	13.1
145.10179	6.5
147.11665	5.0
149.13246	9.4
157.09886	5.9
163.11189	8.1
186.28662	5.1
186.30389	5.2
252.71199	5.9
277.21500	11.2
283.18619	5.8
290.87323	5.8
298.31012	15.8
344.31519	100.0
344.35309	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	345.1332
Annotation	6-Methoxycomaparvin 5-methyl ether
Peak:m/z	Relative Intensity
51.03619	1.9
55.01868	4.9
61.43577	1.3
63.36892	1.3
65.03939	4.9
67.05478	1.9
69.37419	9.7
69.37834	3.8
79.05494	1.8
81.03412	1.6
81.07034	2.1
91.05485	4.1
98.20798	3.1
105.07017	1.6
107.04974	9.0
109.10152	2.9
111.04441	6.0
113.83347	1.5
115.05461	2.2
117.07051	2.9
120.04455	1.8
121.02873	12.0
121.06561	1.4
123.04431	2.1
125.06036	2.1
129.07016	2.4
130.27768	1.7
131.04964	4.2
133.02827	2.0
137.05986	5.6
137.09612	4.1
139.03912	4.1
140.06319	1.8
141.06902	3.0
144.05721	1.9
145.06459	11.4
147.04427	3.4
147.08000	3.1
149.02289	2.1
152.06177	2.6
153.05609	2.2
153.07014	6.1
154.07739	3.0
155.04816	1.5
155.08582	4.5
157.06404	1.7
161.06010	3.3
165.06961	15.1
165.09082	3.7
166.07732	3.2
167.03514	2.0
167.07057	4.2
167.08501	3.4
168.05692	2.7
169.06517	5.1
173.06021	3.0
174.06766	2.2
177.07111	1.7
177.08934	1.4
178.07805	6.2
179.08560	5.8
181.04964	16.2
181.06512	9.6
182.07277	4.6
183.08063	8.5
185.05922	3.5
191.07004	2.8
191.08537	2.1
193.06503	4.1
193.10156	6.0
195.08080	7.7
196.05278	2.7
196.08868	5.8
197.05936	10.2
198.06815	10.3
199.07512	2.0
203.08646	2.5
206.07210	5.2
207.08080	10.5
209.05946	4.1
210.06763	9.8
211.07524	22.4
211.11076	3.3
213.05498	3.7
213.09076	3.4
219.08301	1.9
221.05968	2.6
221.09625	5.2
223.07529	10.3
223.50664	1.4
224.08293	11.8
225.05496	4.0
225.08943	3.5
226.06290	16.6
227.06943	3.1
228.04172	1.9
228.07626	1.6
234.06807	1.8
235.07539	5.3
237.05547	2.9
237.09053	2.6
238.06221	10.2
238.09868	1.9
239.07030	53.6
239.10663	18.7
240.07770	6.0
240.87747	1.4
241.05009	4.7
241.08533	8.8
243.06396	9.1
249.09097	3.7
251.06996	8.7
252.07835	8.1
253.04849	1.8
253.08676	6.0
254.05783	4.0
255.06520	16.9
256.07291	5.9
265.08682	2.3
266.09369	1.9
267.06732	10.2
267.10092	16.8
268.07300	2.8
269.04727	2.5
269.08115	18.3
270.08917	3.7
271.06076	4.7
271.09778	3.5
277.08911	2.1
281.11618	2.9
283.06042	4.7
283.09546	2.8
284.06830	6.2
284.10471	5.0
285.11237	19.4
286.08429	20.3
294.44272	1.6
295.09692	9.9
296.10336	2.4
299.09167	100.0
299.12799	58.6
300.09555	3.1
300.13095	2.4
312.09995	4.2
313.10703	77.9
314.11090	1.7
317.13867	9.7
327.12262	64.7
328.12451	2.2
345.13354	76.6
346.13690	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	344.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	4.2
55.05508	6.3
55.23828	2.3
57.03417	10.0
59.04266	2.8
63.83396	2.6
67.05497	18.2
69.07062	27.9
70.56463	6.0
71.04971	7.8
72.97542	2.6
79.05487	23.9
81.03403	15.0
81.07025	17.6
83.04951	3.8
83.08627	3.3
85.06521	4.0
91.05453	12.7
93.07038	15.1
95.04958	21.3
95.08597	13.8
97.06528	100.0
99.08075	4.5
102.74503	2.9
103.75583	3.0
105.07015	8.0
107.04902	4.8
107.08575	8.3
109.06501	8.8
109.10122	5.7
111.08064	5.0
115.07553	17.4
117.06997	6.6
117.07796	3.0
119.08543	6.3
129.06946	4.9
131.08572	7.9
131.93208	2.9
133.10123	5.6
135.11649	3.5
137.06073	2.7
149.13251	4.5
151.11134	4.9
159.11685	5.1
173.13220	3.3
177.12730	4.7
190.13533	2.9
195.13792	5.9
216.06261	3.3
223.13181	3.5
291.19473	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	344.243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	13.0
55.05492	25.9
57.03436	21.9
67.05508	48.1
69.03407	10.7
69.07060	98.1
70.29826	36.0
71.04988	43.4
72.74781	9.9
79.05483	56.6
81.03398	33.1
81.07052	79.4
81.68879	7.8
83.04977	11.1
83.08624	16.1
87.63573	8.5
91.05492	42.9
93.07041	49.4
95.04952	35.4
95.08598	35.7
97.06521	100.0
97.84188	8.5
105.07030	38.3
107.04946	19.6
107.08591	25.0
109.06522	21.3
109.10136	17.1
115.07568	41.0
117.07014	20.9
119.08564	26.1
121.06474	10.5
121.10146	20.7
126.91679	9.0
129.07013	18.8
131.08536	26.2
135.11609	11.7
137.05969	12.3
145.10136	12.6
159.11732	20.2
165.09131	9.8
171.11874	10.0
173.13264	10.9
273.18607	11.9
299.09012	12.0
344.11639	15.3
345.13242	13.3
351.16797	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	344.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.6
57.03444	0.8
61.02923	1.7
67.44183	0.3
69.03426	3.7
70.06596	1.4
70.97852	0.7
71.05006	0.6
72.08167	0.3
73.02927	0.4
74.46090	0.3
77.47489	0.4
77.54464	0.4
81.03424	1.5
84.04524	0.6
85.02904	15.6
86.09701	0.9
87.04444	0.4
91.03941	0.6
91.05478	5.3
93.36099	0.3
95.04964	0.5
97.02897	3.8
99.04456	0.6
109.02859	1.9
116.07079	1.7
119.04941	18.8
121.06528	0.4
123.04456	2.2
127.03902	3.1
137.05983	2.4
140.07022	0.4
145.04948	2.8
147.04408	100.0
148.04727	1.0
165.05476	52.3
180.08679	1.2
182.08058	0.7
201.12354	0.6
246.73276	0.4
282.19128	0.4
287.17822	0.4
291.59488	0.4
344.13406	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70118	0.5
57.03431	1.0
59.09278	0.8
61.02913	1.2
69.03417	2.3
70.00865	2.9
70.06590	0.8
73.02913	0.5
81.03408	1.6
83.58157	0.5
85.02902	14.5
91.03945	1.1
91.05468	4.6
97.02887	4.2
109.02866	1.8
115.88012	0.6
116.07112	1.1
119.04941	16.8
123.04425	2.5
127.03882	2.6
128.21851	0.6
145.04996	3.1
147.04407	100.0
148.04761	1.4
151.03894	0.6
165.05473	50.3
166.05775	0.6
173.85638	0.6
180.08673	1.2
180.86073	0.6
182.08157	1.2
226.50618	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1489
Annotation	Isoboldine beta-N-oxide
Peak:m/z	Relative Intensity
51.02373	0.3
53.03934	0.8
61.70765	0.2
70.54435	1.0
77.03917	0.4
79.05489	24.2
80.05841	0.4
83.32123	0.2
91.05470	1.0
93.07053	1.8
95.04955	1.4
95.05502	0.2
103.05459	53.0
104.05792	1.0
105.04528	0.3
105.07024	2.3
107.04948	26.7
108.05270	0.7
117.05723	0.3
118.06554	1.3
118.86495	0.2
121.06490	1.9
131.04921	16.1
132.05305	0.4
135.49950	0.2
137.05959	0.9
146.06006	6.6
146.23093	0.2
149.05948	1.3
164.07050	2.2
178.08621	13.0
179.08859	0.3
196.09679	31.0
197.09993	0.6
253.09444	0.3
260.96243	0.3
268.12146	0.3
295.09106	0.2
312.12427	0.3
313.10651	0.5
326.13770	0.6
342.81891	0.3
344.14911	100.0
345.15338	6.2
366.93604	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.153
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	12.8
58.42017	0.5
64.87900	0.5
67.05478	0.9
70.11858	0.9
70.12257	1.0
71.95250	1.4
81.07038	0.6
84.96031	0.8
98.97572	1.6
108.57864	0.5
110.97572	0.9
112.53889	0.6
116.98587	1.2
123.01151	0.7
128.98607	1.9
139.00674	0.7
146.99646	1.5
155.03838	0.6
157.01707	1.4
159.03317	0.8
169.01727	1.0
171.03268	3.1
175.02779	4.2
177.04327	0.7
179.03755	0.6
183.03264	1.0
185.04855	1.1
186.01994	0.7
187.02847	0.7
189.04326	4.5
193.03793	2.5
194.04839	0.6
195.05389	0.6
197.04787	0.9
203.05852	1.0
205.01563	0.8
207.05362	0.5
209.04933	0.6
211.06433	1.3
221.04881	0.9
223.02736	3.1
224.03546	1.7
225.07976	1.3
234.05576	1.2
237.04295	0.6
239.05933	2.5
241.23549	0.8
243.08975	0.7
251.05910	0.6
252.06689	7.7
253.07294	0.8
257.06989	0.6
261.11850	0.5
270.07721	3.1
275.08301	0.8
277.11127	0.6
279.12659	3.4
285.11542	1.2
297.13678	1.2
303.12625	19.3
304.12936	1.6
321.13718	100.0
322.14105	4.2
339.14780	6.1
344.15308	15.2
344.31604	1.2
345.15866	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2267
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03941	7.5
55.01867	7.6
55.05507	22.0
57.03426	10.2
57.07054	9.3
59.04985	7.3
63.31594	2.3
64.73279	2.6
67.05504	30.3
69.03431	15.0
69.07061	7.8
69.77029	16.6
70.09744	2.7
71.04987	25.2
79.05493	29.6
81.03416	2.8
81.07059	33.3
83.05002	4.1
85.06546	3.4
89.55714	2.7
91.05477	44.9
93.07044	90.9
95.04967	60.4
95.08607	96.7
97.06533	17.7
105.07032	100.0
106.07359	2.9
107.04932	3.5
107.07886	4.4
107.08590	66.1
109.06511	21.0
110.73244	2.5
115.05460	10.6
117.07021	36.8
119.08573	33.9
121.06508	20.4
121.10146	16.6
123.08051	27.1
125.05992	3.5
128.06174	5.0
129.06963	7.2
130.07777	25.3
131.08562	10.3
133.06500	11.5
133.10135	20.1
135.08051	33.8
135.11678	20.1
137.05984	3.6
137.09579	5.0
142.21321	3.1
143.08588	16.6
145.10126	89.8
146.10414	5.0
146.20360	2.4
147.08029	14.2
147.11678	5.2
149.09576	6.3
151.07550	48.0
153.09097	2.8
155.08592	3.9
157.10147	10.4
158.11043	2.5
159.08070	5.1
159.11716	9.7
161.09599	8.2
161.13264	6.2
163.11163	82.9
164.11502	3.9
165.09148	22.5
169.10146	4.6
171.11688	7.4
173.09636	6.7
173.13286	3.4
175.11221	6.7
177.09134	8.7
179.07069	6.4
179.10628	3.2
181.10077	3.1
181.12326	2.7
185.09679	2.8
185.13342	3.0
187.11179	6.6
189.09169	3.8
189.12822	12.6
189.14243	2.9
191.14275	3.8
197.13293	7.7
201.12749	4.1
203.14272	13.3
207.10086	4.2
207.13824	10.0
208.30211	2.7
209.13110	2.7
209.15387	5.2
215.14284	6.0
217.12312	3.3
221.15350	35.7
233.15337	3.7
243.13873	3.3
256.28030	2.5
263.16516	7.8
286.19357	8.8
287.16528	3.1
287.19836	2.9
307.20514	3.4
325.21674	8.7
343.22672	89.6
344.22946	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	343.2265
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03933	2.5
55.01854	6.8
55.05320	1.8
55.05511	18.5
57.03434	10.8
57.07077	11.4
59.04985	4.8
61.00343	2.0
65.03928	2.4
66.92763	2.2
67.05193	2.3
67.05505	31.6
69.03403	9.7
69.07046	8.5
70.21811	7.0
70.22225	4.1
71.04990	22.5
79.05499	28.4
81.03394	5.1
81.07059	30.8
81.29973	2.1
83.04966	6.9
85.06527	4.9
91.05473	38.5
93.07038	68.7
95.04961	64.6
95.08600	85.7
97.06510	18.5
103.05441	4.7
105.07021	87.6
107.04946	2.4
107.07888	3.4
107.08591	58.4
109.06499	19.0
109.10128	5.5
115.05451	5.5
116.06209	2.0
117.07004	33.9
119.08568	34.7
121.06483	22.7
121.10142	22.3
123.08052	25.0
123.11747	2.3
125.05933	2.5
127.24271	2.4
128.06165	2.3
129.06921	5.5
130.07779	17.7
131.08551	10.8
133.06499	8.7
133.10117	18.0
135.08051	26.4
135.11671	15.6
137.05984	3.3
137.09593	6.9
141.07040	3.4
143.08563	11.6
143.14767	2.4
145.06502	3.9
145.10112	91.7
146.10493	3.1
147.08049	17.9
147.11638	5.7
149.09590	7.2
151.07538	55.3
153.09105	3.1
155.08430	3.5
156.09309	2.6
157.10133	11.0
157.25020	2.1
159.08015	4.7
159.11694	7.3
161.09579	10.4
161.13187	5.3
163.07504	3.7
163.11165	67.6
165.09116	20.3
171.11682	10.4
173.09599	6.0
173.13237	6.5
175.11169	7.3
177.09064	7.2
179.07018	5.5
181.10176	3.1
181.12256	2.8
185.13330	3.1
187.11136	6.8
187.14883	2.8
189.12766	9.7
191.10715	3.5
191.14276	3.9
197.13196	5.1
199.11250	2.7
201.12827	3.5
203.14305	9.4
207.10068	4.7
207.11858	2.4
207.13773	6.5
209.13322	3.9
209.15228	4.8
211.14891	2.7
217.12111	3.6
221.13245	1.8
221.15352	38.7
225.12767	3.6
233.15428	4.8
241.15891	3.1
243.13867	2.7
245.15373	3.9
263.16400	8.4
269.15573	5.4
286.19394	5.1
287.16684	2.7
287.19846	3.2
307.20471	2.6
311.12701	2.3
325.21692	13.1
341.43900	2.4
343.22638	100.0
344.22986	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	343.2265
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03932	4.9
55.01876	9.8
55.05512	20.0
57.03439	10.3
57.07079	11.1
59.04991	7.3
65.03945	2.4
67.05502	33.5
69.03429	14.1
69.07050	7.3
70.54656	1.8
71.04988	24.8
77.03940	2.3
79.05490	29.4
81.03410	4.2
81.07058	41.8
83.04973	7.8
83.08585	2.7
85.06530	6.6
91.05482	37.0
93.07040	86.0
94.07376	2.5
95.04965	73.9
95.08604	97.6
96.05274	2.3
97.06519	18.5
98.20705	3.2
103.05441	3.4
105.07028	99.1
107.04928	4.4
107.08588	64.7
108.05754	2.2
109.06512	21.6
109.10150	5.5
111.08108	2.3
115.05443	8.5
117.07011	37.8
119.08579	34.9
121.06502	19.8
121.10139	20.2
123.08069	33.5
125.06021	4.1
128.06206	5.4
129.07018	8.5
130.07803	24.3
131.08595	11.0
133.06468	8.2
133.10133	21.1
135.08061	31.4
135.11684	22.4
137.09596	7.9
142.07785	4.0
143.08565	14.9
145.06461	2.8
145.10117	100.0
146.10490	3.9
147.08035	18.2
147.11674	5.5
149.09586	6.7
151.07533	61.2
153.09053	3.3
155.08623	2.8
155.10631	3.3
156.09367	3.5
157.10117	13.4
159.08073	4.3
159.11687	12.1
161.09595	11.7
161.13243	5.6
163.07492	2.4
163.11176	74.4
164.11417	2.3
165.09143	18.8
167.08522	2.7
169.10178	3.0
171.11678	8.9
173.09581	6.2
173.13242	6.9
175.11145	8.0
177.09105	6.4
179.07011	5.2
179.08472	2.5
179.10762	4.6
181.10037	3.8
181.12149	4.0
183.11638	5.6
185.09602	3.5
187.11176	6.9
187.14754	2.3
189.12740	12.6
191.14297	4.3
194.10826	2.2
195.11613	3.5
197.13272	5.0
201.12791	2.2
203.14362	10.7
207.10178	3.4
207.13805	8.3
209.13264	4.1
209.15260	3.0
215.14340	4.3
217.12166	3.7
221.15329	36.2
223.14844	4.2
225.12704	3.0
229.49294	2.7
233.15329	4.3
236.94295	2.3
237.16379	2.1
243.13666	2.7
245.15358	3.1
256.89978	1.9
263.16394	13.1
269.15421	3.8
286.19232	5.6
299.20132	3.0
307.20590	3.0
325.21548	14.0
343.22644	98.7
344.23038	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	343.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.8
55.01873	8.0
55.05281	2.1
55.05511	19.7
57.03433	12.6
57.07061	10.4
59.04989	5.8
67.05192	2.9
67.05509	31.1
69.03447	12.4
69.07051	8.1
69.98420	4.5
69.98824	12.7
71.04996	24.5
76.16235	2.3
79.05482	29.5
81.03411	2.9
81.07064	27.9
83.04970	6.8
85.06538	3.8
91.05480	40.4
93.06492	5.0
93.07042	76.7
95.04967	63.0
95.08608	94.2
97.06534	21.7
105.07027	89.9
107.08598	64.0
109.06507	18.2
109.10149	6.4
115.05459	10.1
117.07023	37.4
119.08569	35.1
121.06547	15.2
121.10132	19.5
123.08052	27.3
125.05999	3.7
128.06210	4.6
129.06993	7.8
130.07761	18.8
131.08543	10.3
133.06500	8.1
133.10120	17.9
135.08057	31.1
135.11676	19.0
137.09627	6.5
141.06993	3.8
142.07785	4.2
143.08569	13.6
145.10123	100.0
146.10463	3.9
147.08066	16.3
147.11719	6.5
149.09589	6.8
151.07549	53.5
153.09090	2.9
155.08537	3.9
156.09276	5.0
157.10115	12.3
159.08109	4.1
159.11745	5.9
159.49507	3.2
161.09624	7.2
163.11192	78.3
165.09099	22.3
169.10164	4.1
170.10864	3.5
171.11700	7.7
173.09621	7.1
173.13208	3.3
175.11188	4.4
177.09076	6.8
179.06999	6.1
183.11708	4.2
185.13315	3.9
187.11238	6.4
189.12662	10.5
191.10715	3.7
191.14192	3.7
194.10953	2.7
197.13297	5.1
203.14360	11.1
207.13841	8.9
209.13416	2.8
209.15459	7.0
215.14314	5.5
217.12189	2.8
221.15349	27.7
222.60413	3.0
225.12741	3.0
233.15446	3.2
241.15671	4.1
263.16397	10.5
286.19290	8.7
287.16537	3.2
287.19833	3.6
325.21634	10.2
343.22668	96.5
344.22632	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	343.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87539	1.0
53.03938	2.0
55.01871	1.4
55.05518	1.7
57.03432	3.3
57.07070	1.3
61.02920	4.1
67.05507	1.5
69.03085	1.7
69.03429	17.5
69.07084	1.4
70.86057	3.3
71.04977	2.2
73.02904	2.5
79.05482	4.2
81.03436	5.5
81.07051	8.7
83.04990	6.9
85.02910	37.3
87.04502	2.0
91.03950	2.0
91.05503	4.7
93.07040	8.5
95.04972	19.0
97.02895	10.9
97.06536	3.2
99.04464	3.1
105.07037	9.0
107.04959	3.4
107.08602	10.8
109.02896	5.1
109.06536	2.4
115.03945	1.2
117.07029	3.4
119.08578	4.6
121.06521	4.3
121.10147	11.7
123.08019	1.8
125.05978	11.4
127.03916	9.5
128.28238	0.9
130.07762	1.6
131.04921	1.6
133.06430	1.2
135.04427	9.0
135.11691	7.1
137.05975	6.6
143.08606	1.1
145.04944	9.2
145.10126	18.3
147.04349	1.3
147.08006	1.4
149.06006	2.1
151.03951	1.7
161.09575	1.5
163.11182	100.0
165.09087	1.6
167.07016	1.2
175.11208	1.8
177.05527	2.0
180.10252	1.0
181.12238	19.1
182.12619	1.1
183.10126	1.5
187.11206	1.7
192.59956	1.2
205.12238	1.5
297.11142	1.1
306.08902	1.0
307.15350	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	343.1538
Annotation	Arisantetralone A
Peak:m/z	Relative Intensity
52.75205	1.6
64.43483	1.6
69.46466	10.4
75.11754	1.5
79.05497	6.7
80.95957	1.8
84.34058	1.7
91.05485	11.6
94.04175	3.7
94.90751	1.5
95.04975	4.5
102.04680	2.9
103.05477	15.2
105.06995	10.7
106.04187	3.2
107.04965	22.8
109.06490	3.3
115.05472	11.0
117.07005	4.5
119.04952	2.6
121.06483	3.1
122.03641	8.2
122.07318	4.7
129.06999	2.2
129.31070	1.6
130.04153	5.6
131.04930	12.5
133.06488	8.1
135.04460	2.1
135.08051	7.9
137.05974	100.0
138.06325	3.0
141.06970	2.1
144.55524	1.4
145.06476	3.4
146.03629	8.0
147.04417	10.8
148.08719	1.8
149.05952	8.1
151.03909	3.6
151.07573	10.8
158.07281	3.1
160.05281	2.6
161.05989	44.1
161.09717	1.9
162.06779	17.9
163.07547	41.3
165.06999	1.9
166.07796	2.2
167.07002	2.6
169.06500	3.5
173.09601	2.2
174.06795	3.2
175.07545	40.1
177.05498	3.5
177.07014	2.4
177.09088	4.0
179.08585	2.6
181.06451	2.0
181.08630	7.0
186.06769	1.9
190.07825	2.7
193.08534	3.0
194.07320	6.9
195.07961	3.1
201.09071	2.5
203.08568	2.3
205.06505	5.1
205.10121	8.5
207.08031	6.5
209.09659	2.7
211.07535	2.8
218.07338	5.2
219.08110	3.9
219.10201	8.9
221.05969	3.8
221.09586	3.0
222.06760	6.3
223.07581	4.7
223.11128	2.5
224.08357	3.8
233.05988	6.1
233.09596	10.7
234.06812	2.8
234.10277	2.4
235.07506	7.8
236.08307	5.0
237.09053	10.3
237.12697	2.7
239.07065	3.0
239.10547	3.8
241.08546	4.5
249.05385	2.2
249.09213	2.3
250.06253	5.9
250.09927	5.4
251.06952	3.6
251.10707	2.9
252.07863	4.0
253.08614	3.1
254.09338	4.0
260.13934	1.7
261.09155	7.6
263.07126	2.2
264.07822	3.6
264.11453	2.1
265.08612	19.5
265.12207	7.6
267.10233	9.0
268.10745	2.4
269.08075	5.8
278.09366	3.8
279.10089	3.6
281.08243	2.8
281.11581	1.7
282.08865	11.0
284.10449	9.0
293.11649	17.2
294.12381	3.8
295.09811	3.1
296.10379	3.2
297.11252	56.4
297.14813	7.0
298.11447	3.3
299.12790	30.0
300.13300	2.1
310.11884	5.5
311.12766	65.2
312.12976	3.6
325.14322	31.9
326.14688	2.9
343.11929	2.7
343.15399	45.7
344.15723	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	343.1539
Annotation	Jamesoniellide D
Peak:m/z	Relative Intensity
53.17898	1.7
55.01874	4.2
55.05494	5.6
57.03440	2.3
70.53611	5.7
73.67743	1.6
77.81224	1.7
79.05489	3.6
81.07041	4.6
83.08588	2.9
87.60612	1.8
89.03883	1.8
91.05481	6.5
93.07019	2.5
94.04227	3.0
95.04943	2.0
95.08591	1.6
100.11250	26.9
100.46428	1.9
103.05481	14.3
105.07028	7.1
107.04957	9.0
109.06502	3.2
111.80869	1.6
115.05445	8.9
117.03403	1.9
117.05505	2.6
117.06967	3.7
119.04994	3.1
119.08505	1.7
121.06477	2.4
122.03648	7.9
128.06200	2.1
129.07001	4.2
131.04922	20.1
131.08600	2.2
132.05612	1.5
133.06483	4.8
137.05971	99.5
141.07018	4.8
145.06459	3.9
146.03647	18.4
147.04514	2.0
147.08002	5.6
149.05991	8.6
151.07516	14.8
153.06940	2.0
157.06477	2.3
158.07315	3.2
159.04495	2.0
160.05211	4.4
161.05984	100.0
162.06429	3.7
163.07559	46.0
164.19452	1.7
165.07034	4.6
165.09077	3.3
166.07744	2.4
167.07047	2.9
169.06467	5.9
173.09631	4.3
174.06784	2.7
175.07541	70.5
177.05476	2.6
177.06938	2.9
177.09062	5.4
178.07758	3.9
179.08553	5.8
181.06596	2.5
181.08612	4.7
186.06958	1.9
187.07538	4.4
189.07173	2.2
189.09076	7.2
190.07777	5.9
192.08955	1.6
193.08614	15.0
194.07263	8.8
195.08092	3.2
201.09093	16.9
203.08507	2.7
205.06477	8.1
205.10109	12.1
206.07079	1.9
207.08051	9.2
209.06087	2.8
209.16655	2.5
211.07680	2.4
215.08623	3.7
218.07211	6.3
219.08070	4.6
219.10144	41.3
220.10603	2.3
221.06023	6.8
221.09612	4.0
222.06709	9.4
222.10280	4.2
223.07486	4.4
224.08308	7.8
225.08900	2.2
231.08006	1.8
232.08710	2.8
233.06079	3.9
233.09598	23.8
234.06679	3.4
234.10378	2.1
235.07561	13.2
236.08232	3.9
237.05499	5.4
237.09108	16.8
239.07013	4.0
239.10674	5.9
241.08539	5.2
247.07491	3.5
249.05467	2.2
249.09108	3.2
250.06207	9.1
250.09940	9.0
251.06947	6.3
252.07831	6.3
253.08597	5.7
254.09427	4.4
261.09128	12.8
262.09708	3.2
263.06970	7.1
264.07846	7.1
265.08621	34.5
265.12234	9.9
266.09183	6.1
267.07355	2.9
267.09991	12.9
268.10989	2.9
269.08026	11.6
277.08578	3.9
278.09326	10.7
279.10126	5.2
281.08017	3.5
282.08810	10.8
283.13361	3.5
284.10452	10.8
293.11685	30.9
294.12323	3.9
295.09653	5.2
297.11227	55.4
297.14462	3.4
298.11484	2.6
299.09369	3.5
299.12766	42.7
300.13025	4.1
310.11981	9.1
311.12732	44.6
312.13269	3.7
325.14359	31.5
328.12579	13.3
343.15308	79.5
343.30679	22.6
344.15573	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	342.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	9.9
55.05511	49.7
57.07054	7.2
67.05509	33.7
69.03414	10.2
69.07072	25.6
69.27863	43.9
71.05003	6.0
79.05492	40.5
81.07049	30.4
83.04980	6.7
83.08627	34.9
85.06535	5.3
91.05485	19.3
93.07030	49.3
95.04959	23.7
95.08613	44.2
97.06532	8.0
97.10168	72.0
105.07025	50.3
107.04971	7.4
107.08601	100.0
109.06529	10.1
109.10127	9.3
113.86273	4.1
115.05480	6.7
117.03077	4.2
117.07040	16.7
118.06793	4.1
119.08582	17.6
121.06502	7.1
121.10163	8.3
123.08069	11.3
125.09637	67.7
129.07033	5.1
131.08592	4.8
133.10123	16.2
135.08078	23.2
135.11700	11.8
143.08548	8.0
145.10138	38.5
147.08032	6.0
147.11659	5.4
149.09622	4.5
151.07596	24.3
153.09126	14.7
157.12233	5.3
159.11728	5.7
163.11176	27.5
165.07152	3.8
165.09076	9.7
171.11748	4.2
173.13181	5.4
203.12772	90.9
203.14539	8.1
221.15442	15.4
257.19022	11.5
265.08575	5.6
275.20114	34.4
289.21652	10.8
292.36224	4.6
311.12668	4.8
325.21729	4.7
342.21317	6.3
343.18896	7.6
343.22598	35.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00306	0.1
55.05502	0.3
56.03028	0.1
57.07074	8.5
58.06596	1.4
59.94342	0.1
62.06086	3.3
69.07065	0.2
70.44991	0.1
70.49357	0.4
71.08630	4.4
72.08157	1.6
74.06087	0.2
81.07026	0.2
85.10189	0.8
87.77467	0.1
87.87532	0.1
105.07063	0.2
107.08584	0.1
132.43954	0.1
133.10156	0.1
156.17470	1.7
170.19008	0.3
172.16905	0.2
174.17010	0.3
174.18526	5.6
202.21658	0.5
204.88078	0.1
212.23730	1.5
213.24130	0.1
226.25308	0.2
230.24792	4.1
231.25021	0.2
298.34619	0.2
324.36230	1.3
342.37277	100.0
343.37613	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	342.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72415	14.9
55.01859	19.5
55.05502	32.9
57.03431	20.3
67.05491	72.8
69.07058	48.1
69.69987	86.4
69.70412	27.0
71.04993	51.7
74.05122	15.0
79.05498	83.2
81.07052	100.0
83.08607	21.0
91.05463	42.8
92.31751	15.4
93.07039	38.5
95.04957	46.9
95.08597	45.8
97.06502	21.2
97.10163	19.4
103.05457	65.7
105.07013	53.9
107.04941	45.2
107.08610	24.4
108.04461	17.4
109.02863	27.5
109.06527	21.8
109.10141	27.1
117.06982	33.8
119.08566	27.8
121.02850	31.2
121.06538	23.3
121.10146	18.6
125.09612	26.9
129.06987	19.6
131.04913	39.1
131.08501	18.9
135.04430	24.2
137.06007	30.2
147.11638	16.2
159.08072	23.9
161.05945	22.3
163.03870	19.9
193.12097	18.2
227.16415	27.8
252.10088	20.2
256.09680	47.8
310.12628	17.7
311.12543	24.4
342.13806	25.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	20.5
57.84174	11.1
58.06582	14.7
62.73233	9.9
67.05504	40.9
69.07052	20.9
69.37334	100.0
71.04986	9.9
76.69353	13.2
79.05477	25.7
81.07052	56.1
83.04957	16.5
83.08620	12.6
91.05477	42.3
93.07037	48.7
95.04960	16.2
95.08592	31.9
105.07034	35.2
107.08630	21.8
109.10190	16.1
117.07056	17.1
119.08599	18.5
121.10155	19.2
131.08577	13.9
133.10083	15.1
135.11700	32.7
145.10132	31.4
207.08742	11.6
224.95766	13.2
264.02673	11.9
311.12576	22.3
317.43396	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	342.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	23.9
55.05513	42.5
55.77789	7.2
56.94035	8.5
56.96550	21.9
57.03433	26.4
58.46834	7.9
67.05505	42.9
68.75433	7.3
69.07062	10.5
70.57059	30.7
70.91508	7.0
79.05500	47.1
81.03411	21.2
81.07053	61.1
83.04964	30.8
83.08615	24.9
85.02905	9.3
91.05472	33.5
93.07037	48.4
95.04958	31.3
95.08578	8.6
97.06535	32.4
97.10170	10.3
99.08089	13.1
103.05450	12.1
105.07014	22.1
106.07320	11.4
107.04962	24.8
107.08595	29.5
109.06499	15.1
111.04428	35.7
111.08015	13.4
116.10721	8.8
117.07008	11.2
119.08578	17.3
121.10123	19.7
123.08050	13.2
125.09622	14.7
129.06929	13.3
131.08594	12.4
133.10135	10.0
135.04382	9.6
135.08029	15.1
135.11745	15.5
137.05940	18.9
141.07022	11.4
143.08658	8.6
145.10139	20.2
149.05934	9.6
153.12701	10.6
159.08104	9.9
161.05986	14.6
163.03885	23.5
163.07471	15.0
163.11221	52.3
167.07109	9.4
173.93159	9.1
181.08473	9.3
181.12247	19.7
187.07587	11.5
189.09021	13.3
191.10654	30.0
209.11742	86.9
212.14328	19.9
214.18011	69.4
227.12779	100.0
237.00713	18.6
250.09428	10.1
263.07071	9.6
267.09009	14.2
281.07935	8.1
289.17920	26.9
291.32883	10.5
297.10962	9.6
302.09021	14.2
307.19006	32.1
310.11392	12.4
311.12601	19.3
342.10446	12.7
342.14172	24.5
342.24344	47.8
343.11728	27.6
343.15427	14.6
343.19138	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.8
54.74991	0.4
56.96566	0.8
57.03418	0.7
61.02923	0.9
63.23282	0.4
69.03426	4.5
71.50871	0.6
73.02893	0.9
79.04229	0.6
79.05457	0.4
81.03420	5.1
84.08144	0.7
85.02906	4.7
86.08376	0.4
87.04498	0.5
91.05783	1.0
96.04497	1.2
97.02885	2.9
98.97586	0.4
99.04461	1.0
105.07027	0.7
107.04948	0.4
108.04440	0.6
109.02890	3.1
109.06490	0.5
121.81682	0.4
127.03925	3.2
135.04405	0.8
137.05972	1.0
138.05499	100.0
139.05840	1.2
145.05028	1.0
152.76321	0.5
161.02873	0.5
178.08734	0.5
179.03400	1.7
180.03737	1.8
180.06511	0.4
187.06032	2.6
221.03423	0.4
221.60571	0.4
251.74727	0.4
254.69267	0.5
342.14404	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	14.4
55.05504	13.8
57.03429	6.1
57.07059	8.9
58.06593	3.0
67.05503	51.5
69.03418	4.1
69.07081	17.7
70.48897	3.8
71.04985	11.0
71.08643	3.5
71.16775	2.5
79.05496	19.7
81.03420	3.1
81.07058	43.8
83.04965	12.5
83.08602	6.6
85.06531	6.6
85.10185	5.2
91.05467	33.8
93.07035	28.1
95.04954	11.7
95.08601	15.2
97.02933	2.3
97.06528	52.9
98.20808	2.4
103.74577	2.6
105.07021	42.7
107.08593	29.4
108.67030	2.6
109.06519	10.8
109.09409	3.2
109.10151	59.9
111.04425	3.1
111.08086	8.2
113.05984	6.7
117.07001	4.2
119.08582	6.2
121.06466	7.6
123.04458	3.9
123.08048	4.4
123.11695	7.9
125.09625	3.5
131.08528	7.2
133.06499	2.8
133.10130	59.5
135.04454	2.9
137.05942	4.9
145.10152	3.5
149.09550	4.9
151.11176	31.2
161.05969	2.6
161.09578	4.1
163.07372	3.2
169.12257	5.4
173.09604	5.6
173.13251	2.5
193.12421	2.4
195.87091	2.7
196.16602	3.4
211.13313	2.8
224.93588	3.0
240.23186	100.0
271.16611	3.3
289.17975	9.9
307.19095	3.9
325.03757	2.8
333.87485	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.232
Annotation	Plakorstatin 1
Peak:m/z	Relative Intensity
51.38918	3.0
51.54704	2.6
53.03958	3.6
55.01879	11.3
55.05508	60.7
56.05872	3.3
57.03434	5.8
57.07063	5.9
59.05008	3.0
61.41616	3.1
61.70977	3.3
63.69304	2.9
67.05503	29.3
69.03439	10.0
69.07064	18.3
70.34528	3.5
70.34869	14.1
73.67018	3.0
79.05483	22.7
81.03439	9.4
81.07052	31.4
83.04984	15.6
83.08612	39.6
91.05511	14.4
93.07031	24.8
95.04971	14.6
95.08621	10.8
97.06545	11.1
97.10165	70.5
98.20796	3.4
105.07026	22.7
107.04993	7.8
107.08579	26.2
109.06530	10.2
109.10174	10.8
111.04471	11.7
111.08050	7.2
117.07034	3.6
119.08613	8.9
121.06519	7.3
121.10189	7.2
123.08068	100.0
125.09626	66.3
125.10462	5.4
129.06985	4.8
131.08568	7.9
133.06554	4.4
133.10106	8.3
135.04405	16.5
135.08066	7.1
137.06038	10.6
137.09668	9.8
139.11211	7.7
143.10719	6.5
145.10112	7.4
147.08124	4.7
149.02307	5.0
149.06006	4.0
149.09601	5.1
151.03896	4.7
151.11258	5.3
153.09090	6.7
157.10188	4.1
161.06065	4.0
161.09581	6.0
163.11223	4.4
165.09171	4.3
171.10170	6.0
173.02415	3.8
174.02756	3.7
181.12283	5.3
187.07579	8.8
189.11220	80.4
216.07315	3.3
219.08107	4.5
246.83591	3.2
256.19586	3.3
263.20218	3.9
273.18497	11.5
291.10101	4.6
291.19547	44.9
303.60632	3.2
307.19498	3.8
309.20615	7.8
323.12753	4.6
341.13846	12.6
341.21133	9.1
341.28595	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	341.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.0
55.01861	3.6
57.03439	4.3
57.07076	0.9
61.02914	2.6
65.03938	2.4
67.05502	4.3
69.03429	9.8
70.25043	2.8
70.25383	0.8
71.01354	2.0
71.04986	3.5
73.02914	16.3
79.05494	4.4
81.03410	3.5
81.07057	10.1
83.04969	2.5
83.08625	1.3
84.08134	1.1
85.02901	5.9
85.06532	1.6
86.09654	0.8
87.04449	1.1
91.05460	4.8
93.07046	3.5
94.04214	2.0
95.04965	100.0
95.08603	1.8
96.05287	1.9
97.02866	3.8
97.06525	1.4
99.04458	18.8
103.05458	2.3
105.07021	5.9
106.06220	0.9
107.04959	3.3
107.08611	1.6
109.06510	11.6
109.10152	11.4
111.04435	1.3
111.08086	1.5
115.03912	3.3
115.05419	1.1
117.07019	1.4
119.04929	1.7
119.08574	1.6
121.06483	2.2
121.10145	1.3
122.03648	4.3
123.04455	1.2
123.08068	2.9
125.06005	0.9
127.03914	3.0
128.06218	1.7
128.18587	0.7
129.06987	4.0
131.04922	2.5
131.08569	1.9
133.04933	1.1
133.06499	4.6
133.10135	2.6
135.04425	3.1
135.08031	1.7
137.05975	47.0
138.06314	2.2
139.11203	2.0
144.05791	0.9
145.06516	1.6
147.04364	2.6
147.08047	1.6
149.02364	0.8
149.05977	3.0
151.03873	2.2
151.07526	8.1
151.11145	2.3
153.05492	1.4
153.09103	25.1
154.09500	0.8
155.04938	1.1
157.06479	2.3
159.07977	1.1
160.05182	1.4
161.05974	8.6
161.09659	0.8
162.06757	0.9
163.07492	2.3
165.05516	1.8
165.07230	0.9
167.07022	3.3
167.14304	1.0
172.05202	1.9
173.08086	1.7
173.13284	1.8
174.06763	3.1
175.07547	10.6
177.05502	1.7
179.07001	9.5
181.12210	3.5
187.07552	13.4
188.08055	1.4
189.07278	1.3
189.09122	6.4
190.07730	1.2
191.07022	1.8
191.08609	2.1
191.14328	1.7
195.10187	1.3
197.08159	5.4
199.07495	1.7
202.07722	1.8
203.08586	5.9
205.06464	1.3
207.08000	1.2
209.15364	43.0
210.15633	1.3
211.07520	1.2
217.06622	1.2
217.08582	9.7
218.07153	1.3
219.08058	5.1
219.10016	1.3
220.08731	3.0
221.09631	1.1
221.50211	0.8
227.06979	2.5
231.08015	6.9
232.08675	1.7
233.09546	0.9
233.15326	1.7
234.06764	1.1
235.07582	1.2
236.08328	1.8
237.09036	1.5
240.07799	0.8
247.07538	3.1
248.08322	5.5
249.09093	2.1
251.10701	3.6
253.08470	1.2
255.06573	1.9
259.07578	3.3
261.09079	1.1
262.09872	1.0
263.07101	0.9
263.10638	6.7
264.07785	0.9
265.08511	2.4
266.09570	1.0
267.12332	1.7
270.08905	2.7
271.06302	0.8
271.09653	3.4
276.07886	2.1
277.08585	2.6
278.09174	0.8
279.10187	7.2
281.08481	1.9
281.11685	2.2
285.13345	1.5
291.07034	1.5
291.10141	12.7
291.13159	1.5
292.10699	2.2
293.08145	2.2
295.09616	1.1
296.10361	3.0
297.11035	1.6
305.17413	1.3
308.10330	2.4
309.11093	4.2
310.12610	0.8
311.12738	8.2
313.10913	1.1
323.12842	13.5
323.18500	1.3
324.13290	1.2
341.06641	1.5
341.13824	12.2
341.19519	6.9
342.14545	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06886	2.3
53.03945	4.0
53.28772	2.1
55.01877	4.4
55.05499	3.9
57.03429	3.9
65.03937	2.6
67.05502	6.8
67.57169	2.2
69.03411	7.6
69.07055	3.3
70.00335	3.9
70.00736	8.0
70.06596	3.0
74.06082	2.1
79.05495	11.1
79.41948	2.4
79.80845	2.3
81.07052	8.1
83.04977	3.6
85.02906	5.4
85.25366	2.3
87.04478	3.3
89.02244	2.4
91.05470	20.7
93.07030	7.3
94.04172	5.1
95.04965	8.1
95.08624	2.8
97.06482	2.4
103.05462	16.5
105.03352	2.5
105.07026	23.5
107.04971	16.0
107.08590	14.2
109.02871	2.3
109.06474	8.4
109.10161	4.9
111.04429	4.2
115.05450	8.3
117.07011	8.5
118.04132	3.1
119.04939	5.7
119.08552	7.4
119.18167	2.0
121.06528	5.8
121.10121	7.5
122.03642	9.5
123.04420	5.5
124.03955	4.4
126.82905	2.5
128.06212	5.8
129.07004	12.6
131.04936	13.6
131.08545	3.5
133.02885	3.3
133.06483	20.1
133.10121	68.0
135.02745	4.8
135.04401	8.3
135.08063	9.5
135.11624	4.6
136.03120	3.6
136.05183	3.1
137.05975	100.0
137.09595	39.3
139.03899	14.9
139.11258	2.5
144.05708	3.7
145.06453	6.7
147.04398	13.5
147.08009	5.2
149.05977	7.3
149.13264	9.9
150.06734	5.2
151.03912	4.6
151.07547	8.0
152.08307	10.3
156.05701	3.3
159.04428	5.3
159.08031	9.4
160.05217	5.4
161.05963	39.1
162.06767	8.8
163.03853	2.6
163.07510	7.0
164.07036	2.4
165.05428	6.1
167.07065	16.4
171.08017	3.2
172.05173	8.4
173.13222	3.1
174.06757	3.6
175.07544	33.6
177.05502	2.6
177.08949	2.4
179.07011	7.2
180.10040	2.6
182.08136	3.5
186.07697	2.4
187.03905	5.5
187.07524	34.3
189.07074	3.2
189.09033	6.5
190.07692	2.7
191.07001	4.4
191.08543	9.8
191.14268	19.7
195.08125	2.6
199.07561	4.5
202.07745	3.0
203.08611	5.1
205.06577	4.2
206.07179	4.6
207.08104	4.6
208.09605	3.2
209.15331	4.1
210.11293	5.0
217.06775	2.7
217.08553	13.3
218.07196	2.9
219.08028	13.8
220.08705	2.7
221.09607	8.4
231.08061	8.3
234.06769	6.6
235.07571	6.7
237.09079	2.5
247.07526	4.7
248.08308	7.2
249.09109	11.4
251.06920	4.8
251.10640	11.9
253.08592	2.9
259.07657	4.9
263.10712	6.3
265.08597	9.4
266.09189	2.8
277.08569	8.3
279.10172	11.7
280.10873	2.5
281.08606	3.7
281.11813	10.8
291.10156	11.7
293.07935	3.1
294.09131	2.8
295.09692	6.2
297.11185	8.0
309.07645	3.4
309.11121	25.9
310.12680	8.9
311.12680	8.9
313.10748	3.6
323.12726	15.5
341.10501	10.3
341.14090	43.3
342.10989	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	341.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.2
55.01848	1.6
57.03422	3.8
67.05511	3.3
67.19837	1.6
69.03415	2.9
71.04980	3.8
71.51479	2.3
75.04465	5.0
77.03928	2.2
79.05500	15.8
81.07053	4.6
81.31336	1.7
83.04966	2.6
85.02884	1.6
88.08182	1.4
91.05478	15.1
93.07047	61.2
93.61369	1.4
94.04169	2.2
95.04966	7.3
95.08585	3.1
103.05456	6.4
105.07027	13.2
107.04953	5.5
107.08587	11.3
109.06509	4.7
111.04447	2.7
111.08065	4.5
115.05447	5.1
119.04959	1.7
119.08643	3.7
121.10143	79.4
122.03643	7.2
123.04436	2.0
128.06223	2.5
129.06987	7.5
131.04948	9.3
131.08511	3.3
132.05699	2.3
133.02834	3.6
133.06494	6.6
133.10136	1.7
135.04443	4.7
137.05977	100.0
139.03845	1.6
139.11166	3.3
140.04904	1.9
144.05702	3.8
145.06508	4.7
147.04425	5.0
147.08083	2.2
149.05992	4.5
149.09634	11.4
151.03937	3.5
151.07504	4.6
153.05423	2.2
157.06470	4.4
159.08101	3.0
160.05179	2.8
161.05968	14.3
163.03917	2.0
163.07527	9.4
165.05493	3.5
165.06763	1.7
167.07004	3.5
167.10664	18.8
171.08073	2.1
172.05144	6.6
174.06786	5.5
175.07536	23.9
177.05461	5.5
177.09157	2.4
178.07738	1.6
179.03346	2.1
179.07008	5.9
187.07538	34.8
189.09082	9.7
190.07915	1.9
191.06993	4.0
191.08571	5.2
197.05852	1.7
199.07645	3.9
202.07784	4.9
203.08578	10.9
205.06540	2.6
208.08871	2.2
211.07513	11.9
217.08583	12.2
219.08086	10.6
220.08794	4.9
221.09663	2.6
227.07014	7.3
231.07967	11.0
233.06027	2.0
235.07509	1.8
236.08313	2.1
237.09041	3.0
239.07019	9.1
240.07753	4.4
247.07489	6.1
248.08330	16.7
249.09047	4.4
251.10609	6.5
255.06583	7.7
256.07275	4.7
259.07541	5.7
260.08167	2.7
263.10724	13.2
264.07816	2.2
265.08545	4.4
270.08826	13.4
271.09641	25.2
276.07712	10.2
277.08545	5.5
279.07288	2.1
279.10071	10.8
280.10715	2.3
281.08133	3.2
281.11636	5.0
283.09729	6.0
291.10138	36.6
291.13135	3.0
292.10654	4.8
293.07993	4.9
295.09665	1.8
296.10385	5.2
308.10437	5.6
309.11139	7.5
311.12720	11.7
323.12723	30.6
341.06607	2.1
341.13782	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	341.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26990	2.0
53.03941	3.7
55.05511	4.3
57.03414	2.0
63.57859	1.5
66.10183	1.5
67.05480	3.1
69.03436	4.3
70.17723	6.3
70.18085	2.9
75.04470	6.8
79.05493	21.4
79.50974	1.5
79.51781	1.7
81.07074	3.3
83.04968	4.0
83.34343	1.4
85.04072	1.8
91.05485	14.4
93.07044	81.1
95.04962	7.1
103.05445	4.6
105.07026	12.8
107.04939	3.7
107.08605	14.6
109.06502	1.9
111.04417	3.1
111.08054	4.5
119.08558	3.3
121.06519	1.7
121.10143	100.0
123.08109	2.2
129.05482	2.3
129.07010	1.8
131.04936	8.1
131.08560	2.2
133.07622	1.6
135.04446	3.5
137.05978	16.4
139.03914	2.6
139.11153	4.2
149.05989	3.0
149.09630	13.2
151.03915	3.3
151.07552	2.5
161.05988	3.9
162.06764	3.4
163.07509	5.4
165.05478	4.7
167.07019	2.6
167.10663	20.6
175.07547	1.8
185.05861	1.6
187.07503	4.1
203.08557	2.9
217.08568	2.8
218.07239	1.5
219.08023	5.1
219.09990	1.7
231.07993	2.5
247.07640	2.8
248.08234	2.3
249.09082	2.0
249.90175	1.4
251.39926	1.6
253.08540	2.1
265.08511	1.9
266.09384	2.0
279.10101	4.7
281.08371	1.7
281.11948	2.3
291.10068	3.5
295.10031	2.1
296.10361	1.8
297.11221	5.2
309.11136	6.1
310.12292	2.0
311.12656	3.8
341.10248	2.4
341.13724	13.1
361.39395	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1383
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
63.41216	1.2
65.03914	1.2
68.36031	1.1
69.03421	1.3
71.04985	1.4
71.20448	2.5
71.20824	1.5
79.05482	2.5
81.07051	2.4
82.06252	1.1
91.05476	4.4
94.04179	3.2
95.04964	1.9
103.05470	1.5
107.04932	2.6
107.22817	1.2
109.06495	2.8
115.05448	2.0
119.04929	1.4
122.03674	8.7
128.06219	4.6
129.07028	8.7
131.04913	2.2
131.08554	2.0
133.02866	1.8
135.04454	1.2
137.05971	100.0
138.06313	1.4
141.07005	1.3
143.04916	1.5
144.05687	6.1
145.06628	1.3
146.07210	1.8
149.05989	2.6
151.07549	4.6
153.05444	1.8
157.06454	8.1
158.07292	1.5
160.05196	3.0
161.05989	2.6
161.09651	1.2
163.07547	3.4
165.05423	2.5
171.08029	1.9
172.05177	8.7
173.05972	2.1
174.06783	13.7
175.07538	9.5
177.05476	2.2
179.07071	2.0
187.07530	46.7
187.09209	2.4
188.08182	2.6
189.09122	17.8
190.07750	1.9
191.07050	1.6
191.08580	5.1
196.05185	2.8
199.07558	6.8
202.07790	4.5
203.08527	13.9
205.06497	2.9
205.39217	1.2
207.07945	1.3
208.08813	1.8
211.07487	6.0
212.04706	1.3
217.08594	27.5
218.07141	1.8
219.08031	13.8
220.08876	5.8
221.09578	1.5
225.09062	1.6
227.07011	5.1
231.08070	16.6
232.08669	3.6
233.06006	2.9
233.09511	2.3
235.07533	2.3
236.08342	3.6
237.09039	3.9
239.06958	4.8
240.07808	2.8
247.07579	8.9
248.08255	17.1
249.09041	2.8
250.06190	1.4
251.10695	4.9
253.08578	3.0
255.06482	4.3
256.07211	2.6
259.07520	5.3
260.08411	2.7
261.08997	3.6
262.09979	1.7
263.07635	2.2
263.10629	18.7
264.07782	4.2
265.08569	7.1
265.11218	1.2
269.08102	1.3
270.08832	7.6
271.09653	12.6
276.07840	7.4
277.08679	5.3
279.10107	15.7
280.10736	3.3
281.08090	3.1
283.09586	2.6
291.10135	38.2
292.10788	4.2
293.08112	5.7
296.10477	10.3
297.11111	1.9
308.10379	4.7
311.12744	17.9
323.12769	38.1
341.13794	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	341.1382
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
56.08322	1.0
63.08188	1.0
64.53397	1.1
70.17709	2.3
70.18094	2.3
73.87611	1.1
79.05491	2.8
81.07074	2.5
91.05473	4.7
94.04183	3.8
103.05465	1.8
105.07021	2.5
107.04958	2.9
109.06517	3.5
119.04955	2.0
122.03661	11.0
128.06224	2.6
129.07002	9.0
130.45042	1.0
131.04907	4.4
133.02873	8.0
133.06494	2.3
137.05975	100.0
144.05733	3.5
145.06488	1.9
146.07277	1.0
147.04327	2.3
149.05945	3.5
151.03882	1.9
151.07596	5.6
153.05371	0.9
156.05728	1.6
157.06483	7.1
158.07272	1.1
159.08028	1.2
160.05167	2.2
161.05963	5.8
162.06688	2.0
163.07542	3.5
165.05519	3.0
165.07054	1.5
167.07042	4.2
172.05203	6.9
174.06767	10.2
175.07544	13.0
177.06955	1.5
179.07033	2.0
179.08490	1.9
187.07550	32.3
189.07339	1.8
189.09079	13.1
190.07751	2.3
191.08488	5.8
194.07191	1.5
199.07564	4.2
202.07831	3.3
203.08598	12.3
204.09061	1.2
205.06577	2.4
206.07249	1.6
207.08051	2.0
208.08864	1.2
211.07559	5.6
217.08603	18.2
218.07211	2.5
219.08098	12.2
220.08829	7.0
221.06004	1.4
221.09550	1.9
222.06796	2.7
227.07050	6.9
231.08099	14.3
232.08736	1.4
232.19339	1.0
233.05988	2.4
233.09666	3.1
234.06720	2.5
235.07567	2.7
236.08330	5.1
237.09052	3.4
239.07091	3.2
240.07785	2.9
246.07262	1.1
247.07500	6.8
248.08305	15.5
249.09108	4.7
250.06271	2.5
251.10736	7.0
253.08578	2.8
255.06543	6.5
256.07281	1.5
259.07535	8.2
260.08304	2.3
261.09164	3.5
263.07562	1.6
263.10648	14.5
264.07892	2.5
265.08548	10.3
266.09137	1.5
268.07449	1.4
270.08911	9.3
271.09634	9.6
276.07788	7.0
277.08539	3.8
278.09253	1.3
279.10187	16.6
280.10846	1.8
281.08090	2.8
281.11600	2.2
283.09665	3.3
290.09689	1.2
291.10129	32.0
292.07339	1.7
292.10788	2.9
293.08295	4.7
293.11368	1.4
294.08823	1.1
295.09561	2.4
296.10495	8.0
297.08173	1.1
297.11255	4.4
305.12027	1.1
307.09695	1.1
308.10468	5.1
309.11157	7.9
310.12027	1.4
311.12753	14.3
313.10782	1.3
323.12738	31.4
341.13791	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	341.1381
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
70.64830	4.4
79.05502	2.9
81.07056	2.7
89.42979	1.5
91.05460	6.6
94.04195	2.8
103.05432	3.8
105.07023	4.5
107.04977	2.9
109.06524	3.1
115.05431	2.2
119.04935	3.4
121.06528	2.1
122.03668	7.7
123.96455	1.6
128.06195	3.2
129.07007	10.8
131.04897	4.3
133.02873	9.7
133.06453	4.6
137.05971	100.0
138.06300	3.1
144.05672	3.1
147.04375	4.2
149.05988	4.4
151.07539	5.8
153.05461	1.8
157.06488	7.1
159.04456	1.9
159.08101	1.9
159.60623	1.5
160.05177	2.9
161.05946	7.3
162.06723	1.9
163.07491	3.5
165.05499	2.6
165.06998	1.9
167.07042	3.9
172.05200	8.7
174.06761	6.7
175.07526	19.5
177.05446	2.4
177.09093	1.9
179.06998	3.1
179.08533	2.0
187.07542	31.4
188.07962	1.6
189.09128	10.8
190.07803	3.0
191.08498	8.1
194.07254	3.3
196.05092	1.5
199.07529	5.5
202.07793	5.2
203.08513	14.5
205.06462	3.5
207.07957	2.4
208.08876	3.0
209.09625	2.2
211.07478	4.7
217.08572	18.0
218.07257	1.9
219.08022	13.9
220.08875	5.8
221.06073	2.3
221.09596	1.7
222.06772	4.7
223.07533	2.3
227.07054	3.4
231.08090	15.8
232.08662	3.0
233.05995	2.3
233.09567	2.0
234.06674	2.5
235.07521	4.0
236.08357	5.1
237.09026	5.8
239.07042	2.5
240.07800	1.9
247.07556	10.4
248.08310	16.2
249.09119	4.5
250.06219	5.2
251.10555	7.7
253.08643	1.5
255.06538	2.9
259.07468	6.7
260.08377	2.8
261.09079	4.2
263.10669	17.7
264.07986	3.7
265.08606	25.3
266.09268	3.6
268.07257	1.7
270.08795	8.8
271.09689	5.0
276.07736	9.2
277.08542	5.7
279.10178	20.4
280.10822	1.7
281.08188	1.6
281.11719	2.3
283.09659	3.4
291.10101	30.8
292.10696	4.1
293.08072	5.0
295.09729	2.7
295.13409	1.4
296.10382	6.4
297.11148	5.9
308.10364	4.4
309.11203	29.3
310.11792	2.7
311.12775	19.0
323.12790	34.9
341.13852	38.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1382
Annotation	Obovaten
Peak:m/z	Relative Intensity
50.63360	0.7
55.01859	1.9
55.05500	0.7
60.14458	0.8
65.03929	1.1
66.59852	0.7
67.05491	1.0
69.03420	0.9
69.36372	6.4
72.91631	0.6
79.05476	2.6
81.07047	1.3
83.64238	0.7
85.02896	0.8
91.05461	3.7
93.07076	0.8
95.01336	1.3
95.04964	2.4
95.08599	0.9
97.30257	0.7
98.20748	0.8
101.81125	0.6
103.05506	1.4
105.07048	5.0
107.04962	6.3
109.06475	0.9
110.03658	2.0
111.04416	1.0
115.05405	3.4
117.06957	0.7
119.04947	1.3
121.02900	0.8
121.06480	1.0
122.03653	1.7
123.04425	2.0
124.05211	1.1
125.05988	6.3
128.06219	2.8
129.06984	10.3
131.04904	2.2
133.02853	0.7
133.06502	3.0
135.04410	0.9
137.05974	11.4
141.06982	2.0
143.04909	1.4
144.05692	3.4
145.06468	2.6
146.03648	0.9
147.04410	1.4
149.02322	1.0
151.03819	1.0
151.07506	0.8
152.04715	1.0
152.06165	1.0
153.05450	2.8
153.06979	1.5
155.04889	2.0
156.05724	1.0
157.06509	1.2
159.08070	7.5
160.05240	1.0
161.05977	9.1
161.09581	1.3
163.07527	1.2
165.05617	0.9
165.07011	2.9
167.07068	12.1
167.08470	1.1
168.05737	1.5
169.06479	6.2
170.07327	0.7
171.07944	0.9
172.05107	0.9
173.05963	0.9
175.07552	3.1
178.07756	3.7
178.95735	0.7
179.07133	1.1
179.08551	1.9
181.04996	1.1
181.06483	2.1
183.08092	2.1
184.05194	1.0
187.07532	18.4
189.07037	2.6
189.09048	1.9
190.07747	2.5
191.08571	4.3
193.10201	1.4
194.07248	1.3
195.08066	3.8
196.05186	1.7
197.05978	10.5
198.06706	1.1
199.07533	2.3
202.07776	3.8
203.08537	2.7
204.09026	0.8
205.06517	3.9
206.07251	5.0
207.08026	3.3
208.08778	0.9
209.06035	1.5
209.09517	1.3
210.06770	1.3
211.07536	7.8
212.08325	1.6
214.06236	3.2
214.17940	0.7
217.06485	1.9
217.08542	1.2
218.07233	2.2
219.08025	5.7
220.08746	2.8
221.06006	1.7
221.09566	7.3
222.06734	1.4
223.07521	4.1
224.08337	1.6
225.05469	4.2
225.09038	1.7
226.05928	0.8
227.07024	2.7
229.08601	1.3
231.08051	4.6
231.10143	2.6
232.08888	1.2
233.06010	1.5
233.09641	1.1
234.06744	5.8
235.07565	3.8
236.08194	1.2
237.05421	1.1
237.09135	3.9
238.09901	1.5
239.06987	7.0
240.07806	15.7
241.08525	2.4
242.05708	5.8
247.07527	2.7
247.87134	0.8
248.08324	3.4
249.05437	1.1
249.09108	11.1
250.06174	1.5
250.09865	1.3
251.07051	6.3
251.10506	1.5
252.07802	1.9
253.04950	0.9
253.08583	1.1
253.12213	2.8
255.10141	1.5
257.05392	0.9
257.08105	17.9
257.10562	0.7
259.07736	1.0
262.06287	1.2
263.06973	2.4
263.10590	1.8
264.07623	1.5
265.08557	4.6
266.09390	6.8
267.06509	1.5
267.10181	2.5
268.07224	2.6
272.10406	4.5
276.07764	1.3
277.08578	5.0
278.09442	1.1
279.06635	1.7
279.10178	1.4
280.07248	0.9
280.10941	1.3
281.08499	1.5
281.11716	21.1
282.08899	2.9
283.09610	2.3
285.07590	8.5
291.10101	3.1
293.08054	1.6
294.08823	2.6
295.09677	2.2
297.11179	1.6
298.11978	0.9
300.09918	40.6
301.10187	1.4
309.11182	32.7
310.12018	4.2
311.09012	1.9
311.12326	1.1
313.14282	7.3
318.64520	0.7
323.12445	1.2
326.11395	3.1
341.13809	100.0
342.14099	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	341.0868
Annotation	AESCULIN
Peak:m/z	Relative Intensity
61.02920	0.4
67.05489	0.2
69.03421	0.9
71.12364	0.4
77.03895	0.2
81.03403	0.6
85.02904	2.0
89.03927	0.6
97.02876	0.6
105.03378	0.3
109.02869	0.6
117.03368	0.5
123.04427	10.5
127.03893	0.3
133.02856	8.9
135.04410	1.7
137.05994	0.5
151.03908	3.6
172.05005	0.2
179.03395	100.0
180.03700	1.5
187.07547	0.3
234.99329	0.2
263.10895	0.2
279.10666	0.2
291.10654	0.2
341.08838	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2843
Annotation	N-oleoyl glycine
Peak:m/z	Relative Intensity
50.69635	0.5
53.03949	0.9
55.01849	0.7
55.05511	17.1
56.05033	1.5
56.05843	1.2
56.83966	0.5
57.03430	2.0
57.07073	6.3
60.04525	31.7
64.66226	0.5
65.03955	0.6
67.05499	12.8
68.05826	0.9
69.07068	23.8
70.03128	2.8
70.07383	1.0
71.04977	1.7
71.08627	2.6
78.26885	0.6
79.05492	3.6
81.06601	1.1
81.07055	17.6
82.07395	1.0
83.08613	17.1
84.08958	1.0
84.79221	0.5
85.10182	0.6
91.05466	5.2
93.07046	5.9
94.07369	0.6
95.08607	17.0
96.08929	1.5
97.06516	2.1
97.10162	9.7
98.10489	0.7
100.11249	1.0
105.07028	4.2
107.08578	4.4
109.06512	1.0
109.10160	8.3
110.10474	0.8
111.08057	1.6
111.11716	2.9
112.08384	0.5
118.58546	0.5
119.08591	4.1
121.10133	4.1
122.10471	0.7
123.08083	1.3
123.11731	3.6
125.09603	1.1
127.11190	0.7
128.14362	1.5
133.10129	4.6
135.04401	1.1
135.11702	2.9
136.12074	0.8
137.09610	2.1
137.13278	0.9
140.10658	0.7
142.15909	9.8
147.11693	2.5
149.13232	1.7
150.06345	0.7
151.11180	1.6
151.14807	0.6
153.06476	0.5
154.12268	5.8
161.13254	1.8
163.14877	0.9
165.12775	1.3
172.13348	3.1
175.14760	1.4
179.14249	0.6
181.15906	0.6
182.19093	0.9
184.16972	0.6
189.16364	1.2
203.17780	0.7
217.08141	0.6
245.22675	2.5
262.25247	0.8
263.23666	5.1
266.25757	0.7
280.26349	10.8
285.09357	0.6
298.27396	11.5
322.27292	3.0
340.28519	100.0
341.28833	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	339.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66665	1.9
51.02380	2.1
53.03933	3.6
55.01865	4.5
55.05506	10.1
57.03430	3.8
65.03912	2.8
67.05505	20.9
68.05846	1.7
69.03423	2.2
69.07035	4.1
69.95371	3.7
69.95776	7.5
71.04995	2.5
71.19437	1.6
77.03940	2.8
79.05492	29.5
81.03402	7.4
81.07070	20.9
83.04967	5.8
83.08579	3.0
85.06525	2.7
89.03915	2.3
91.05477	27.0
93.06507	2.1
93.07047	26.3
95.04960	6.9
95.08582	8.4
97.06520	3.8
97.10157	2.5
99.04458	2.2
105.03419	4.9
105.07037	14.2
107.04931	7.1
107.08592	17.7
109.06504	4.1
109.10164	2.9
110.89093	2.2
115.05438	5.1
117.07009	12.4
119.04935	6.2
119.08569	8.8
121.06386	2.6
121.10106	5.8
123.08028	3.8
129.06979	3.3
131.04918	2.4
131.08575	12.7
133.02859	15.4
133.10101	4.3
135.04419	18.3
135.08035	8.0
137.05928	3.0
143.08530	2.9
145.02776	3.9
145.06499	2.6
145.10123	3.7
147.04399	3.2
147.11656	1.9
149.05977	27.8
149.09618	5.8
149.13217	13.4
151.03899	3.2
151.07553	2.6
153.07005	2.8
157.06454	4.2
159.04460	9.9
159.11664	7.2
161.02335	32.6
161.05983	2.0
163.03899	18.5
163.07507	2.6
165.05431	2.7
167.08575	2.1
169.06494	2.3
171.04378	2.1
173.02347	100.0
173.05975	3.1
174.02667	3.8
175.03896	8.8
175.07576	2.8
175.11121	2.4
177.05501	3.9
177.12738	16.0
178.13455	3.3
181.06537	2.2
185.06012	3.1
186.03079	3.2
187.03961	5.0
187.07541	3.5
187.25334	2.0
197.05992	3.2
199.03859	9.0
201.05443	5.8
202.09953	4.0
215.07028	77.7
216.07306	2.6
217.08644	6.3
217.12221	9.0
257.26746	9.4
279.10052	2.0
307.09470	3.9
311.12820	3.0
321.14648	2.6
333.88977	2.2
339.12164	6.0
339.15845	26.2
339.19778	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.2
55.01868	2.2
55.05507	9.0
57.03431	5.3
65.03932	2.6
67.05508	17.7
69.03419	5.5
69.07084	6.2
69.42788	10.3
71.04983	2.2
79.05502	15.3
79.26997	1.3
81.03407	7.8
81.07058	16.9
83.04981	5.7
83.08652	2.5
89.03889	1.1
91.05476	17.2
93.07043	19.4
95.04967	4.8
95.08614	8.6
97.02870	1.9
97.06515	2.3
103.05507	1.5
105.03415	1.6
105.07030	11.2
107.04959	5.1
107.08600	14.5
109.02891	3.6
109.06514	6.7
109.10151	1.9
111.08101	7.3
115.05451	3.5
117.07020	14.2
119.04945	4.0
119.08589	4.8
121.06524	3.1
121.10130	6.1
123.08057	9.8
127.03938	3.6
129.07021	3.9
131.04932	2.1
131.08560	8.8
133.02840	13.3
133.06438	2.4
133.10132	3.5
135.04424	13.2
135.08054	7.6
135.11682	4.0
141.07034	2.1
143.04932	1.4
144.09338	1.4
145.02861	1.9
145.10089	1.9
147.04420	4.6
147.11726	2.1
149.02443	1.9
149.05977	20.6
149.09639	9.0
149.13255	10.4
151.03938	2.5
151.07521	2.6
153.07036	1.8
157.06488	2.9
157.10107	1.4
159.04443	4.1
159.11647	12.3
160.12479	1.5
161.02327	17.1
161.13188	1.5
162.03075	1.4
163.03894	17.1
163.07524	1.6
165.09064	1.5
173.02345	100.0
174.02768	1.3
175.03851	6.7
175.11128	1.2
177.05458	2.1
177.12737	26.0
178.13501	8.5
179.14294	10.9
185.06015	3.6
186.03145	1.6
187.03888	4.0
199.03911	4.8
201.05458	11.1
201.08836	1.1
202.09946	2.3
202.56822	1.3
203.06985	11.2
215.03778	1.5
215.07037	36.1
217.08586	5.8
217.12314	5.1
227.07007	4.8
229.08472	1.7
241.08607	1.3
251.10660	1.9
276.19180	1.2
321.14944	1.9
339.12079	3.1
339.15790	21.4
339.27567	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1588
Annotation	Crotaramin
Peak:m/z	Relative Intensity
53.03936	2.6
55.01868	2.1
55.05510	8.3
57.03436	5.6
57.07064	1.0
61.49516	0.7
65.03921	2.1
67.05503	11.1
69.03418	2.4
69.07059	2.9
70.56306	2.5
79.05486	19.8
80.06247	0.9
81.03401	2.7
81.07051	13.6
83.04950	3.6
83.08600	1.8
85.06540	1.1
89.03902	1.3
91.05470	17.8
92.05782	1.0
93.06486	1.5
93.07038	19.9
95.04973	5.3
95.08611	8.2
97.06502	1.6
103.05439	2.0
105.03368	3.0
105.07026	11.8
107.04936	6.0
107.08582	15.0
109.06506	6.3
109.10147	0.9
111.08071	4.5
111.08710	0.7
115.05437	4.0
117.03368	1.2
117.07013	15.5
119.04926	3.6
119.08585	7.5
121.06501	3.9
121.10126	6.7
123.08059	10.8
128.06197	0.9
129.04512	0.8
129.06969	5.7
130.07758	1.2
131.04955	1.4
131.08578	11.3
133.02846	14.5
133.06464	1.5
133.10092	3.1
135.04381	5.6
135.08026	7.9
135.11682	2.2
141.06960	1.5
142.07756	0.9
144.05737	1.0
144.09328	1.4
145.02859	2.1
145.06490	1.3
145.10150	1.1
147.04378	2.3
147.08047	1.2
147.11665	2.4
148.08870	1.1
149.05962	5.4
149.09601	6.7
149.13258	7.0
151.03900	1.0
151.07564	1.0
157.06479	2.8
157.10149	1.7
159.04417	5.5
159.08078	1.0
159.11696	11.5
160.12640	1.1
161.02335	27.3
161.05989	1.6
161.13226	1.3
162.03107	1.8
163.02565	1.5
163.03893	23.0
165.05469	1.9
165.09087	1.2
171.04478	1.0
173.02336	100.0
173.05984	2.7
174.02603	1.3
175.03917	10.1
175.07547	1.6
175.11230	2.5
176.12025	1.0
177.05478	1.5
177.12730	22.2
177.14262	1.3
178.13528	5.7
179.08655	0.8
179.14328	2.1
181.06453	1.0
184.05301	0.9
185.05940	2.9
186.03146	1.9
187.03870	1.9
187.07571	1.9
189.05408	1.1
197.05991	1.5
199.03873	6.8
201.05476	16.3
203.07004	14.5
203.47040	0.8
205.08530	1.0
209.05978	0.9
215.07013	45.7
216.07423	1.4
217.08566	10.3
217.12193	2.0
223.07639	0.8
227.07022	1.4
229.08585	1.9
231.45674	0.8
241.08720	1.5
251.10799	1.1
293.15475	1.3
321.14697	2.5
339.12311	1.8
339.15842	23.2
339.19849	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1224
Annotation	Vitrofolal A
Peak:m/z	Relative Intensity
55.01856	2.5
57.69226	0.9
61.55941	1.0
63.77308	0.9
65.03929	5.7
67.83389	0.9
69.23633	5.4
69.24068	5.1
72.98471	0.9
79.05462	1.6
80.81382	0.8
81.07046	1.3
85.02895	2.3
91.05479	2.6
93.03394	2.4
93.07036	1.5
95.04942	1.2
95.08591	1.1
97.68017	1.0
107.04919	3.9
109.06564	1.2
110.03651	5.6
111.04445	4.9
115.05437	2.5
121.02877	1.0
125.05959	7.9
128.06241	1.5
131.04964	1.4
135.04384	2.0
137.05952	3.9
143.04907	1.1
144.05693	1.2
145.06494	1.8
146.07280	1.0
149.02296	1.4
149.05986	2.4
151.03893	1.3
153.05455	16.4
159.08032	8.1
164.07028	1.0
165.05621	1.5
165.07010	4.1
165.09135	2.8
167.07022	2.7
167.08424	1.0
171.04410	3.6
177.05466	1.1
178.07736	2.8
179.08549	4.3
180.09346	1.1
181.06485	1.6
182.07266	1.2
185.05901	5.0
186.06743	9.7
189.06944	4.8
190.07768	5.7
191.08508	8.6
192.09161	1.2
193.06462	4.3
194.07266	3.4
195.08080	2.4
197.09627	1.9
202.07756	3.1
203.08598	3.4
205.06468	6.5
206.07175	4.3
207.08009	8.8
208.08818	6.4
210.06786	1.4
214.06267	2.6
217.06436	1.5
218.07248	10.6
219.08018	22.7
220.05276	1.2
220.08801	10.9
220.99332	1.1
221.05980	12.1
221.09482	5.9
222.06631	3.8
223.07521	3.0
223.11151	1.1
225.09114	3.0
229.08568	6.3
231.07950	1.3
232.05370	1.4
233.05876	3.8
233.09633	1.8
234.06758	4.2
235.07512	22.1
236.08267	23.4
237.08984	6.8
238.06154	1.7
246.06757	4.9
247.07564	15.8
248.08244	5.0
249.05455	8.4
249.09038	5.8
250.06232	3.4
250.09871	3.6
251.06792	3.2
251.10663	29.1
252.11211	2.7
253.08607	9.7
261.09094	3.7
262.06247	2.0
263.07040	10.5
264.07767	28.4
265.08514	18.2
266.05844	2.0
266.08990	1.9
267.10101	1.2
275.07169	4.6
276.07648	1.7
277.05093	2.2
277.08572	7.4
278.09341	6.7
279.06897	1.1
279.10144	26.3
280.10828	4.7
281.08078	18.1
281.11230	0.9
282.08612	1.3
283.13217	5.9
289.08582	3.0
291.06592	1.1
292.07324	8.4
293.08047	6.5
293.11026	1.2
294.08554	2.2
295.09402	1.9
296.10342	5.0
306.08752	2.1
307.09613	56.8
308.10333	13.2
309.07516	2.8
309.11133	2.1
311.12741	91.3
311.72742	1.0
312.13071	7.1
321.11130	2.8
323.09085	1.5
324.09802	6.5
339.12247	100.0
340.12793	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	339.1225
Annotation	Vitrofolal A
Peak:m/z	Relative Intensity
53.93586	0.9
55.01854	1.9
57.50076	0.8
60.25091	0.9
62.02070	0.9
65.03936	1.6
65.75060	0.9
67.05473	0.9
69.44533	7.3
83.56859	0.9
85.02885	2.9
91.05468	1.4
93.03376	1.0
93.61950	0.9
99.04501	0.8
105.07022	1.5
107.04952	5.6
109.06474	1.2
110.03621	2.7
111.04403	1.4
115.05470	1.9
122.03585	1.2
125.05983	4.4
128.06178	1.7
129.07054	1.6
131.04883	1.4
133.06534	1.0
137.05986	4.9
141.63345	0.8
144.05698	1.5
145.06467	1.5
146.07227	1.0
149.05910	1.0
153.05447	3.3
155.04938	1.5
159.08018	6.5
161.05904	0.9
162.22668	0.9
165.05684	1.3
165.06979	5.2
167.07031	1.4
171.04359	2.8
175.07574	0.8
178.07776	3.1
179.08549	3.5
181.06448	2.1
181.20271	0.9
185.05937	6.9
186.06741	6.2
189.06970	6.4
190.07745	8.9
191.08560	11.0
192.09161	1.7
193.06474	3.6
194.07231	2.2
195.08112	2.6
197.06303	0.9
199.03856	1.9
201.06967	1.1
202.07826	3.3
203.06870	0.8
203.08574	5.0
204.05641	1.4
205.06487	6.9
206.07187	4.2
207.08052	12.9
208.08751	7.5
209.09625	1.0
210.06689	1.3
212.42233	0.8
214.06247	8.2
217.06554	2.4
218.07260	15.5
219.08028	25.9
220.08778	13.4
221.05975	12.2
221.09521	3.4
222.06717	3.4
223.07504	2.3
223.11012	1.7
225.09126	2.5
229.06580	1.1
229.08636	17.7
231.08037	3.2
233.05986	4.0
233.09634	3.0
234.06691	5.6
235.07501	22.0
236.08278	23.7
237.08971	4.6
238.06177	1.9
239.07103	1.5
246.06702	5.0
247.07541	15.6
248.08215	4.7
249.05423	7.1
249.09105	8.0
250.06255	5.3
250.09839	3.3
251.06743	1.8
251.10661	33.4
252.11044	1.7
253.08592	6.2
259.07507	1.2
260.04590	1.1
261.09085	4.7
262.06174	2.0
262.09778	1.3
263.07022	14.6
264.07791	35.9
265.08566	14.8
266.05716	2.5
267.06552	1.4
267.10019	1.8
273.01413	1.0
275.07092	6.8
276.07687	1.8
277.05386	1.6
277.08600	7.4
278.06363	1.3
278.09311	7.3
279.07092	1.8
279.10156	26.5
280.07455	1.3
280.10760	5.0
281.08133	15.1
281.11209	1.0
282.08722	1.2
289.08511	1.7
291.06564	2.3
292.07190	8.4
293.08081	7.1
294.08643	2.2
295.09760	2.2
296.10373	4.5
297.10898	0.9
306.08786	3.3
307.09616	60.2
308.10303	13.6
309.07468	2.4
309.10800	1.0
311.12738	60.4
312.12964	3.1
321.11203	2.4
324.09894	8.2
339.12241	100.0
340.12665	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	339.1073
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
53.03941	12.0
55.01864	4.2
55.05506	2.1
57.03430	3.7
61.02927	1.9
65.03934	2.6
67.05511	5.0
69.03435	22.5
70.27467	6.7
70.36864	1.9
71.01366	5.5
71.04980	5.6
76.73480	1.6
77.03938	2.2
78.76878	1.6
79.05498	21.2
81.03417	33.2
81.07077	5.9
83.04977	4.0
85.02908	16.3
91.05495	9.9
93.07037	9.8
95.04971	40.4
97.02892	19.6
97.06499	2.4
99.04462	8.9
103.05468	14.9
105.03422	3.3
105.04508	2.8
105.07029	5.0
107.01312	2.9
107.04957	99.9
108.05290	2.5
109.02881	100.0
109.06528	20.3
118.64159	1.7
118.95338	1.7
119.04905	9.0
121.06512	21.4
123.04443	11.6
125.02355	31.2
125.05998	6.3
127.03918	21.5
131.04924	9.8
133.02864	10.9
135.04410	22.7
147.04413	20.0
149.05989	42.4
151.03905	54.5
153.05481	8.6
159.04413	6.1
161.06038	2.0
163.34004	1.7
163.90587	2.5
167.03427	8.1
177.05481	62.3
185.04405	1.7
189.05487	2.1
191.07072	2.8
195.06467	15.2
219.02893	1.9
269.06357	2.3
269.10205	1.9
295.08298	3.1
321.09698	14.9
336.32419	2.0
339.10760	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1073
Annotation	4-Methylumbelliferyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03948	16.3
54.29290	1.5
55.01851	4.1
57.03429	8.1
57.86678	1.6
58.42296	1.5
60.99533	1.4
63.59698	2.3
65.03920	2.6
67.05507	10.0
69.03431	37.1
70.46419	4.8
71.01357	11.7
71.04979	7.7
73.02920	3.0
79.05495	33.3
81.03419	42.1
81.07063	9.1
83.01350	2.8
83.04955	3.4
85.02905	25.9
87.04464	2.2
91.05482	13.0
93.07033	11.4
95.04388	2.7
95.04968	53.2
97.02890	24.9
99.04459	12.9
103.05463	14.6
105.03407	1.9
105.04576	2.8
105.07034	6.1
107.01261	3.7
107.04956	100.0
109.02876	99.0
109.06511	23.5
111.04422	5.0
115.03983	1.9
119.04907	4.1
121.06512	26.6
123.04430	25.5
125.02348	31.5
125.05957	7.5
127.03923	34.0
129.06958	2.2
131.04938	9.6
133.06480	2.0
135.04413	69.7
139.03853	2.2
145.04993	4.3
147.04367	1.9
149.02362	1.6
149.05986	44.6
151.03902	72.1
153.05455	22.3
155.03419	3.9
159.04414	10.1
159.06453	1.4
167.03427	11.5
167.07031	2.8
175.03874	2.3
177.05470	64.6
180.55609	1.7
185.04297	1.9
191.06995	2.3
193.04990	2.2
195.06517	31.5
215.05382	2.6
247.07698	2.2
256.64221	1.7
264.07855	1.9
267.08807	1.7
269.06522	4.1
269.10056	3.0
295.08054	4.5
297.09586	1.9
307.09570	2.2
321.09592	22.0
339.10703	27.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0712
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14824	0.5
53.03940	0.9
53.64687	0.5
55.01886	1.0
57.03428	1.5
61.02921	0.6
69.03444	2.6
69.03759	0.7
70.06590	1.5
70.91045	1.2
71.01357	0.5
79.05507	2.9
81.03422	1.5
81.07040	1.7
84.04506	7.0
84.08146	1.3
85.02370	0.8
85.02901	11.3
89.03904	4.7
91.05473	3.4
93.07049	1.4
95.01311	4.1
95.04961	2.1
97.02880	1.2
97.21819	0.6
102.05547	5.0
103.05456	1.5
105.07028	0.7
107.04957	6.1
109.02859	4.3
109.06507	0.9
111.04448	0.8
112.03934	0.8
113.02358	0.8
116.07053	0.7
117.03377	5.2
118.06525	1.8
119.04944	2.4
120.08104	0.5
121.02859	1.7
121.06512	1.5
123.04456	2.6
125.02333	1.0
127.03890	1.5
130.05002	36.3
131.04918	2.0
133.02838	0.6
133.06512	0.5
135.04417	22.6
137.05957	1.6
141.01848	1.2
145.02838	6.9
145.06554	0.5
146.03516	0.6
146.06003	9.7
147.04405	29.4
148.04695	0.8
149.02359	3.2
149.05974	6.7
151.03922	3.2
151.07585	0.8
152.07112	0.7
159.04425	1.7
161.05988	2.0
163.03903	93.7
164.04257	2.3
164.07030	1.5
165.05484	0.7
173.80789	0.5
175.03940	3.8
177.01857	4.5
177.03941	1.2
177.05476	7.9
178.07080	1.2
178.08641	25.0
179.03445	1.0
179.08603	0.5
179.14717	0.5
181.04968	0.7
185.05994	0.7
187.03911	2.2
189.05464	2.1
191.03394	1.5
191.07111	0.6
191.27528	0.5
195.06512	1.2
196.09711	3.3
203.03394	100.0
204.03703	3.0
205.04944	4.1
210.11252	40.2
213.05408	1.3
215.03429	5.5
215.07034	0.5
216.80037	0.6
217.05054	0.6
217.12296	1.0
219.02858	1.3
221.04366	0.9
229.04959	3.3
231.02888	13.3
231.06473	1.1
233.04385	3.9
243.03004	0.7
261.03949	5.9
275.05408	0.6
276.02335	0.5
279.04980	7.7
279.09888	1.5
280.08121	0.5
291.05005	6.7
303.04663	0.7
321.06213	1.0
321.14569	0.6
322.12845	2.1
339.07318	4.6
339.11557	1.8
339.15527	17.1
340.14038	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2735
Annotation	Methyl 15-hydroxy-7-labden-17-oate
Peak:m/z	Relative Intensity
53.03947	1.9
55.01865	1.6
55.05513	38.6
56.05852	0.8
56.60258	0.5
57.03155	1.3
57.03438	23.7
57.07073	5.8
57.11627	0.6
65.03942	2.4
67.05504	80.4
68.05830	1.5
69.03417	1.0
69.07069	48.7
70.03610	3.0
70.07402	0.9
70.61410	0.5
71.04990	2.2
71.08629	2.2
79.05492	20.1
81.07054	81.3
82.07398	1.0
83.04981	2.8
83.08618	22.9
84.08953	0.6
85.06551	1.5
85.10197	0.8
88.29202	0.5
91.05479	12.3
93.07044	20.1
93.07647	1.0
95.04964	1.7
95.08604	56.4
96.08938	2.1
97.06538	5.7
97.10161	11.5
98.20820	0.7
99.08110	2.3
105.07030	9.7
107.08591	11.1
109.06528	1.0
109.10159	21.1
111.08083	2.3
111.11728	1.8
119.08591	6.8
121.10139	9.4
123.08104	1.4
123.11707	8.7
125.09631	2.0
133.10117	8.5
135.11674	5.1
137.09586	1.4
137.13228	3.7
139.11159	0.8
147.11693	4.8
149.13235	2.8
151.03047	0.7
151.11134	0.7
151.14795	1.9
161.13283	4.2
163.14796	3.0
165.12749	0.7
165.16386	0.9
167.14282	0.7
175.14879	3.2
175.16104	0.6
177.16440	1.0
179.64696	0.6
189.16344	1.4
207.33130	0.7
207.55127	0.8
244.82933	0.6
245.22713	1.4
263.23618	2.7
337.27356	100.0
338.27744	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	337.0893
Annotation	Unknow
Peak:m/z	Relative Intensity
64.40422	1.5
67.54394	1.4
70.55328	5.2
119.01872	1.9
133.03438	2.6
145.03392	2.2
170.09239	1.8
170.23790	1.7
293.84140	1.7
337.08752	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11553	4.9
56.96584	6.2
69.03419	8.7
70.98108	5.5
71.49776	8.3
77.00896	6.0
82.95033	4.3
85.02907	7.3
92.50192	4.9
97.02869	5.2
98.97603	5.6
101.00873	32.4
103.02444	7.7
113.00848	8.7
115.02431	8.0
119.01922	66.2
120.01978	4.9
121.01630	6.3
121.03468	9.9
127.02369	10.9
129.38483	4.5
131.01909	24.6
131.70448	5.0
133.03494	36.0
135.03264	4.8
137.02946	6.8
143.01894	20.2
145.03476	61.3
147.03105	7.7
149.02937	7.6
151.04523	12.8
155.01895	19.5
157.03476	32.4
159.05052	7.9
161.02924	21.3
163.04504	10.9
167.02017	5.3
169.03525	7.8
171.01434	8.4
171.05002	5.2
173.02965	44.1
175.04503	25.2
184.04601	5.6
185.02902	14.5
187.00967	5.7
187.04562	10.9
189.02437	18.6
203.04007	13.3
211.04440	8.8
217.01952	56.2
217.05298	6.8
218.02283	6.1
221.05011	36.0
229.01944	17.5
235.02959	30.1
235.06630	6.8
239.06096	44.4
247.02876	8.4
247.06648	18.0
265.03827	5.3
265.07645	13.2
275.06174	39.0
277.07608	15.3
295.08728	19.5
305.05255	6.5
319.05188	27.7
337.09064	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.5
55.01876	2.8
55.05509	2.7
57.03417	0.5
65.03918	2.1
65.11752	0.6
66.31269	0.6
67.05500	12.0
67.89481	0.5
69.03426	1.4
69.07056	3.6
70.22281	2.1
77.03922	0.9
78.04710	0.5
79.05492	24.3
80.05869	0.6
80.06272	1.1
81.03389	2.9
81.07056	8.6
83.04973	0.9
83.08601	2.3
89.03911	1.5
91.05481	24.4
92.06268	2.6
93.07035	7.3
94.04179	1.4
95.04967	5.3
95.08598	4.3
97.06529	10.6
103.05473	2.1
104.06277	0.6
105.03392	1.7
105.04487	1.0
105.07029	12.3
106.07822	1.5
107.04954	4.5
107.08595	2.5
108.05720	2.1
109.06503	1.5
113.09654	1.1
114.61797	0.6
115.05442	7.7
115.06190	0.7
117.03387	0.6
117.06995	5.9
118.07800	1.0
119.04906	0.7
119.08577	9.6
120.05701	1.4
120.09354	0.9
121.06485	2.0
121.10130	0.8
122.07355	0.9
125.75890	0.5
127.03903	0.6
128.06200	1.8
129.07014	7.6
130.07799	1.9
131.08563	5.0
132.09399	0.6
133.02843	5.1
133.06487	8.6
133.10133	6.5
134.07253	2.1
135.04402	0.7
135.08061	1.2
135.11699	1.2
141.06989	8.9
142.07655	0.8
143.04938	1.4
143.08575	2.5
145.02815	0.8
145.06480	1.5
147.04373	1.5
147.08054	7.4
147.11700	5.8
148.08817	7.4
148.12454	1.0
149.13303	1.1
152.06204	1.9
153.06993	2.2
155.08545	1.7
157.03923	0.9
157.06494	1.6
157.10126	5.8
158.10899	1.6
159.04402	3.6
159.11662	2.4
161.02347	6.8
161.09543	2.9
162.03064	0.9
163.03880	4.0
164.07089	0.9
165.07010	4.3
165.12723	1.2
167.08554	1.1
168.05725	0.7
169.06482	4.8
171.04372	0.9
173.02347	14.0
173.05988	1.6
175.03922	1.9
175.11176	6.4
176.11961	100.0
177.12567	3.9
178.07823	0.7
179.08572	1.2
181.06505	2.0
181.10202	0.6
183.04424	1.4
183.08047	1.0
184.05058	0.5
185.06024	1.6
187.03902	9.6
189.05345	0.5
193.06383	0.9
195.08057	1.9
197.05960	6.7
198.06798	0.5
199.03899	14.2
199.07610	1.3
201.05470	1.4
207.08093	0.8
209.05911	1.3
209.09547	0.9
211.07494	3.3
212.08182	0.7
213.05461	8.1
215.03369	0.7
219.08055	0.7
221.06007	1.3
223.07550	1.2
225.05450	25.6
226.06111	1.5
227.07025	3.5
231.08092	0.9
234.06711	0.5
235.07512	1.6
237.05516	1.4
237.09132	1.2
238.06183	0.9
239.07039	9.4
240.07610	0.7
241.04924	0.9
241.08607	6.3
247.11234	0.6
249.05421	2.6
249.09164	0.8
251.06996	2.2
253.08661	2.3
277.08511	0.7
278.13858	1.5
279.06805	0.8
279.10254	0.8
291.10226	0.8
291.13718	0.9
293.11710	1.1
293.15186	0.8
295.13391	1.1
309.11560	0.7
309.14709	3.2
319.13229	5.9
322.08383	0.6
337.10794	2.1
337.14331	39.7
338.14728	2.3
359.32565	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2576
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03919	2.4
53.73379	2.3
55.05504	18.9
57.03430	19.6
57.07050	3.1
65.03929	3.2
67.05503	79.5
69.07080	21.4
71.04978	2.7
71.48533	2.2
71.50933	2.6
71.51318	2.9
71.51690	2.7
79.05493	36.3
81.07052	82.7
81.41922	2.2
83.08598	9.4
91.05486	22.4
93.06491	3.7
93.07041	43.9
95.07990	3.7
95.08604	63.6
97.06533	3.7
97.10140	3.5
105.07021	15.1
107.08595	18.9
109.06493	4.7
109.10143	27.8
117.07000	5.5
119.08575	8.3
121.10132	17.5
123.11698	9.3
131.08537	8.2
133.10120	9.3
135.11705	12.2
137.13211	2.4
145.10136	6.9
147.11655	6.5
149.13222	7.1
159.11700	3.5
161.13266	4.2
163.14810	2.3
173.13287	4.3
184.61932	2.5
205.72588	2.4
243.21071	4.0
254.42728	2.3
261.22168	7.8
316.49225	2.3
335.25793	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0621
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52916	1.0
58.99865	1.7
60.05640	1.4
60.48711	1.0
69.76685	6.1
69.77094	2.5
70.06592	2.2
70.99866	1.9
77.00919	7.7
89.00912	3.1
94.25794	1.1
95.01942	3.0
98.97615	1.4
101.00859	8.7
103.02473	3.2
113.00902	1.9
115.02435	2.2
117.42602	1.1
119.01921	22.6
121.03467	1.9
127.02436	5.6
131.01935	9.2
133.03474	4.3
135.01381	1.6
137.02962	2.5
139.02432	4.3
143.01903	5.4
143.13876	1.3
145.03465	30.3
145.04533	1.8
147.01399	1.8
149.02965	2.2
151.04529	2.3
153.02441	2.1
155.01907	5.4
156.88539	1.9
157.03459	27.9
161.02956	8.2
163.04573	3.7
167.01900	1.3
169.03453	3.4
171.01439	3.4
173.02971	13.8
174.89613	3.4
175.04543	11.0
175.11888	1.5
185.02954	7.5
187.04439	2.5
189.02496	4.0
193.05562	1.2
194.70670	1.0
197.02994	2.1
199.00798	1.7
201.06142	1.7
203.03999	17.4
211.04436	1.7
211.06526	1.4
214.96573	5.7
216.90627	1.4
217.01965	27.2
217.05328	1.4
221.05064	52.3
222.05167	2.0
229.01990	1.9
229.05592	1.4
232.95015	2.5
235.03024	13.8
235.06685	4.1
239.06120	90.7
240.06323	3.8
240.97964	6.7
244.06720	3.6
247.06667	24.5
248.06819	1.2
256.97552	7.4
258.04727	1.3
262.07745	4.1
263.06024	1.6
263.92590	1.6
265.07687	25.7
266.96045	3.1
271.06714	1.8
275.06122	100.0
276.06360	4.0
277.03940	3.7
282.99478	1.9
284.97089	16.3
285.97134	1.9
291.05499	8.4
293.07309	3.1
295.08792	4.0
296.52829	1.2
301.04080	1.4
312.96603	4.3
315.00500	2.5
319.05109	85.4
320.05359	4.0
326.98154	1.2
333.01398	3.3
336.94925	7.1
337.06140	55.3
337.10837	63.8
337.17435	3.3
338.06516	3.1
342.07040	1.4
354.97421	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2578
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03942	2.2
55.01858	1.5
55.05277	1.1
55.05510	16.6
57.03436	20.8
57.07057	2.8
65.03928	2.2
67.05504	77.7
68.05843	0.8
69.07065	15.6
70.15002	3.3
71.04974	2.3
71.08635	1.6
72.04533	0.9
79.05491	39.5
81.07056	75.9
83.04961	1.9
83.08619	7.8
85.06529	1.6
91.05482	19.0
92.07674	0.9
93.07043	47.4
95.04962	2.7
95.08606	67.0
96.08888	0.8
97.06513	3.3
97.10161	3.7
98.20777	1.1
98.39879	0.8
105.04508	0.9
105.07037	15.7
107.07888	1.6
107.08592	29.8
109.06505	2.0
109.10155	27.5
109.31748	0.7
111.08057	1.4
117.07017	4.2
119.08578	11.7
121.10146	20.6
123.08031	1.6
123.11693	9.9
125.09630	1.2
129.05466	1.6
131.08568	8.6
133.10132	10.4
135.11694	15.7
137.13211	2.6
139.11177	0.8
145.10118	7.9
147.11676	6.8
149.09607	1.3
149.13257	8.7
151.11179	0.8
151.14819	0.9
159.11697	6.2
161.13251	4.2
163.14766	5.3
165.12747	1.5
173.13234	5.9
175.14825	2.4
177.16414	1.8
187.14803	3.4
191.14404	0.8
201.16354	1.2
243.21141	6.8
261.22116	10.9
277.21515	1.0
279.23212	1.5
317.24750	4.1
335.25778	100.0
336.26089	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2579
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
50.78245	2.3
55.05514	20.2
57.03436	23.7
61.11519	2.3
67.05508	75.9
69.03407	2.9
69.07072	14.3
70.50050	8.8
70.50399	2.6
71.04987	3.0
79.05493	34.9
81.06593	5.6
81.07058	72.0
83.04948	3.0
83.08611	9.2
85.06530	2.5
91.05482	23.1
93.07042	38.7
95.04966	5.4
95.08606	55.8
105.07032	14.6
107.08580	16.6
109.10162	21.1
117.06996	4.4
119.08569	10.7
121.10146	18.2
123.11713	8.6
131.08546	5.4
133.10129	8.0
135.11687	13.2
147.11699	5.6
149.13271	7.1
159.11658	3.0
161.13303	4.1
163.14752	2.7
243.21040	3.6
261.22134	7.4
335.25800	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2579
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
51.02388	0.8
53.03938	3.4
55.01863	1.4
55.05510	20.4
56.70502	0.8
57.03440	29.5
57.07077	4.5
65.03938	3.3
66.32976	0.8
67.05505	96.6
67.27354	0.7
68.05856	1.0
69.07067	17.5
69.77491	4.9
71.04990	2.0
71.08635	1.8
73.02898	0.8
75.04471	0.7
79.05493	56.7
81.03400	1.6
81.07056	100.0
82.07384	0.9
83.04986	2.5
83.08617	9.6
85.06535	2.1
85.10201	1.1
87.09711	0.7
88.07617	1.8
91.04907	1.7
91.05481	29.5
93.07043	66.4
95.04975	5.3
95.08606	83.1
97.06509	4.4
97.10146	4.4
98.21489	1.0
99.08090	1.3
101.36953	0.8
103.03956	1.1
105.04523	0.9
105.07033	19.6
107.08592	39.4
109.06532	3.2
109.10155	32.8
111.08083	2.2
117.07025	7.6
119.05920	0.9
119.08578	16.4
121.10139	28.9
123.08077	1.6
123.11691	9.3
125.09660	1.2
129.05467	4.1
129.06967	1.0
131.08569	17.4
133.10130	14.3
135.08057	1.2
135.11697	19.7
137.09615	1.3
137.13252	5.5
143.08604	1.0
145.10120	12.3
147.11717	10.9
149.09662	1.2
149.13249	12.9
151.14822	1.7
155.07025	2.0
157.10181	1.2
159.11696	8.1
161.13242	8.9
163.11212	2.0
163.14821	7.9
165.12743	1.1
172.12383	0.9
173.13255	9.1
175.14847	3.2
177.12796	1.6
177.16389	3.1
187.14804	3.9
189.16383	1.2
191.14369	1.0
199.15067	0.9
201.16350	2.0
205.16022	0.8
217.19606	2.1
219.21146	1.4
233.22583	1.6
243.21106	18.8
243.25133	1.7
245.22676	1.3
261.22119	17.6
277.21783	1.1
279.23151	2.5
291.23224	1.9
317.24728	9.7
335.25851	96.8
335.29648	6.0
336.26172	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	335.2577
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03949	5.0
54.70731	0.8
55.01850	1.1
55.05241	1.0
55.05510	24.6
57.03436	29.2
57.07064	2.5
65.03941	4.6
65.04243	1.1
67.05503	98.0
68.05829	0.8
69.07063	24.9
70.35871	0.8
70.64494	2.4
71.04980	3.0
71.25940	0.7
72.60400	0.9
75.60899	0.7
79.05492	48.7
81.03416	0.9
81.07053	85.2
81.89380	0.8
83.04946	3.2
83.08625	9.5
85.06532	2.5
91.05482	24.0
93.07042	53.1
94.07374	1.0
95.04964	4.5
95.08605	63.5
97.06522	3.5
97.10143	2.5
98.98486	1.5
99.08089	1.5
105.07036	14.1
107.07883	1.5
107.08588	22.7
108.88445	0.9
109.06541	2.2
109.10152	23.2
111.08060	1.1
117.06992	5.0
119.08573	9.2
121.10136	18.4
123.08053	1.9
123.11713	7.4
125.09680	1.3
131.08583	6.1
133.10098	7.2
135.11679	9.9
137.09700	1.2
137.13220	1.9
145.10118	4.5
147.11673	4.6
149.13278	4.4
159.11676	3.9
161.13219	3.4
163.14880	1.3
173.13275	3.0
175.14812	1.9
187.14798	1.5
197.38745	0.9
243.21078	1.4
248.41049	1.2
261.22141	3.4
335.25790	100.0
336.26004	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	335.258
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
50.90536	0.8
51.02382	0.9
52.22250	0.9
53.03957	3.7
55.01873	2.2
55.05509	15.0
57.03437	25.0
57.07072	4.7
59.52141	0.8
62.43996	1.0
65.03946	2.6
67.05505	91.1
68.05862	1.1
69.07069	17.7
69.46706	5.1
69.47126	1.7
71.05000	3.5
71.08640	2.1
73.02910	1.0
75.04534	0.8
77.03937	0.9
79.05493	53.5
81.03429	1.9
81.07055	100.0
82.07380	1.1
83.04968	2.0
83.08625	10.3
85.06567	3.2
91.05478	25.7
93.07043	63.3
95.04960	6.4
95.08604	74.0
97.06551	3.2
97.10167	4.8
99.08095	2.1
103.03962	1.1
103.05428	1.1
105.07030	24.4
105.07686	1.7
107.04937	1.4
107.08591	33.7
109.06534	2.7
109.10158	31.0
111.08112	2.4
111.11736	1.0
113.09688	1.5
117.07014	8.6
118.98653	0.9
119.08580	19.5
121.10145	28.1
122.10555	0.9
123.08116	2.0
123.11700	11.4
125.09655	1.4
129.05544	3.4
129.07048	1.6
131.08574	17.0
133.10133	16.5
135.08046	1.8
135.11679	15.2
135.12572	1.0
137.09651	1.5
137.13306	4.1
142.01527	1.0
143.08595	2.6
145.10135	12.2
147.11708	10.7
149.09616	2.0
149.13261	9.9
149.14224	1.0
151.11082	1.0
151.14844	2.2
153.07207	0.9
155.07059	2.2
156.09363	1.0
157.10191	3.5
159.11682	9.1
161.13255	8.1
163.11256	1.2
163.14807	6.1
165.16388	1.3
169.10173	2.0
171.11682	4.3
173.13263	9.4
175.14867	3.9
177.16457	1.9
183.11734	1.3
185.13287	1.6
187.14790	5.7
191.14456	1.1
195.11774	1.3
197.13374	1.5
199.14851	1.8
201.16516	1.8
207.11670	1.5
213.12787	1.2
217.19548	1.6
219.21211	1.1
221.13300	1.1
233.22748	2.0
237.16344	1.4
243.21083	17.7
258.28061	1.0
261.22107	12.6
262.22156	0.9
277.19608	1.9
279.23273	1.7
291.23349	1.1
317.24942	7.7
335.25946	80.6
336.26111	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2576
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03944	4.4
54.22123	0.5
55.01875	1.3
55.05508	20.3
55.84034	0.5
57.03436	24.5
57.07076	4.1
62.69506	0.5
65.03935	4.1
67.05500	100.0
68.05838	1.3
69.03439	0.9
69.07065	17.5
69.85900	3.4
71.04992	2.6
71.08633	1.8
77.03931	0.9
78.17801	0.5
78.24041	0.5
79.05487	48.9
80.05835	1.1
81.03416	1.4
81.07051	82.2
82.07419	0.8
83.04962	2.8
83.08620	9.6
85.06536	1.9
91.05474	34.8
92.73383	0.6
93.07038	61.6
94.07372	1.0
95.04955	6.3
95.08601	57.9
97.06521	3.2
97.10159	3.3
98.98438	1.1
99.08085	1.5
103.05445	0.7
105.04499	1.0
105.07024	19.0
106.07375	0.6
107.04952	0.6
107.08586	25.1
108.08916	1.0
109.06520	2.1
109.10153	20.7
111.08065	1.3
113.09557	0.6
117.06999	8.0
119.08579	12.0
121.10139	19.0
123.08083	1.7
123.11700	7.8
125.09616	0.8
129.05475	1.5
129.07011	1.2
131.08557	14.8
133.10107	8.4
135.08093	1.0
135.11682	13.6
137.09576	0.9
137.13254	4.6
141.09129	0.5
143.08588	1.0
145.10109	8.0
147.11674	5.8
149.09630	2.1
149.13248	8.6
151.14812	1.5
153.12733	0.8
155.07141	0.7
159.11685	5.3
161.13251	4.4
163.11099	1.2
163.14815	4.9
165.12695	0.7
165.16348	0.6
171.11681	1.0
173.13249	6.7
175.14821	1.9
177.12752	0.9
177.16351	2.2
179.14377	0.9
187.14789	2.8
199.14809	0.6
201.16437	1.4
205.15973	0.9
215.17967	0.8
217.19498	1.1
225.05367	0.6
233.22722	1.0
238.43152	0.6
243.21080	6.8
249.36601	0.6
261.22186	8.4
279.23105	0.6
279.77917	0.6
317.24701	3.0
335.25781	74.3
336.25940	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	335.258
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
51.02375	1.4
53.03940	4.2
55.01871	2.5
55.05510	21.1
57.03437	27.1
57.07080	6.1
58.06590	2.6
59.04991	1.1
59.06930	1.0
59.92181	0.9
60.04523	0.9
65.03947	2.7
66.01015	0.9
67.05505	100.0
69.03435	1.8
69.07066	19.4
70.91755	2.9
71.04970	1.6
71.08632	2.3
74.06038	0.9
77.03902	1.4
79.05492	55.5
81.03400	2.1
81.07055	97.7
82.07384	1.9
83.04963	2.1
83.08624	10.6
83.30353	1.0
85.06531	3.2
85.10139	1.3
86.06089	1.5
88.07631	8.2
89.07960	3.2
91.05481	32.0
93.07041	67.8
95.04972	6.9
95.08607	76.8
97.06517	4.1
97.10156	4.3
99.08107	1.9
103.03971	2.1
104.07083	1.2
105.07032	23.3
107.04924	1.0
107.08590	37.6
109.06491	3.2
109.10154	31.0
111.08064	2.8
111.11720	1.2
114.20081	0.9
117.07009	8.2
119.08572	16.6
121.06525	1.1
121.10140	29.5
123.08045	2.5
123.11713	10.9
125.09637	1.4
129.05443	4.5
131.08562	17.3
132.10205	1.5
133.10129	13.1
133.44704	0.9
135.08066	2.1
135.11690	18.8
137.13248	4.3
145.10129	11.5
147.07753	0.9
147.11662	7.3
149.02328	1.8
149.09555	1.3
149.13239	9.0
151.14816	1.7
155.07047	1.3
157.10085	1.8
159.11679	9.4
161.13264	8.5
163.11154	1.5
163.14818	6.8
163.62512	0.9
165.16428	1.1
173.13255	8.2
175.14832	3.9
177.12729	1.1
177.16373	3.3
179.14217	1.1
185.13243	1.3
187.14763	4.9
189.16286	1.6
191.14221	1.0
201.16403	1.9
205.15872	1.2
217.19537	3.0
219.21149	2.2
223.19333	0.9
233.22653	2.9
243.21120	18.1
243.25037	10.4
244.21466	1.2
245.22743	2.2
261.22144	13.8
276.20554	1.0
277.21649	1.6
279.23029	1.4
287.27747	3.6
291.23282	1.6
317.24869	6.7
317.28223	1.8
335.25760	93.4
335.29843	33.5
336.26065	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	335.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.2
55.01863	2.0
55.05273	1.9
55.05511	21.4
57.03200	1.8
57.03435	22.1
57.07067	4.8
59.07381	1.5
60.52408	1.4
62.72565	1.8
65.03935	5.9
67.05505	95.5
69.03425	2.1
69.07073	26.2
69.36700	15.6
71.04994	12.9
75.19711	1.6
79.05499	60.1
79.05968	3.0
81.07055	100.0
83.04974	2.1
83.08621	9.8
85.06541	3.2
91.05479	46.5
93.07045	70.5
95.04984	14.4
95.08605	79.7
97.06516	4.8
97.10159	4.2
103.05457	2.1
105.07031	48.8
107.08591	44.5
109.06530	5.5
109.10152	34.2
111.08059	2.8
115.05384	1.8
116.06197	2.1
117.07011	15.7
119.08584	47.8
121.06402	1.6
121.10138	32.8
123.08023	5.6
123.11700	12.7
126.97542	1.6
128.06197	2.9
129.06998	10.3
131.08566	37.6
133.10132	52.9
135.08020	7.4
135.11682	21.0
137.09595	3.5
137.13234	3.3
141.06989	4.0
142.07787	8.3
143.08572	18.3
144.09338	3.6
145.09067	3.2
145.10115	36.4
147.08020	4.0
147.11676	13.8
149.09616	4.9
149.13293	8.7
155.08545	9.5
156.09387	11.7
157.10133	19.0
158.10852	8.1
159.11693	10.6
161.09601	3.9
161.13251	6.4
163.11192	1.9
163.14839	2.9
165.07021	3.1
166.07935	2.0
167.08539	2.9
169.10150	8.9
170.10866	4.0
171.11696	15.0
173.13280	29.4
175.14784	11.6
176.54565	1.7
177.12810	2.0
180.09398	2.5
181.10098	5.9
182.10947	4.4
183.11668	7.1
184.12422	3.0
185.13234	2.6
187.14819	10.9
189.12755	2.0
193.10159	3.9
194.10938	3.3
195.11699	6.9
197.13257	14.0
199.14798	12.7
206.10889	2.6
207.11647	5.5
208.12462	2.1
209.13283	6.8
211.14781	7.3
212.15617	3.5
213.12756	2.8
213.16406	2.5
219.11635	2.2
221.13231	5.6
223.14833	4.0
233.13164	2.2
235.14799	4.0
237.16275	2.4
243.21074	4.8
247.14758	3.3
249.16328	2.5
251.18079	4.5
261.16321	3.3
261.22018	9.9
262.16974	1.9
277.19513	6.4
279.17346	2.4
317.22217	2.3
335.26068	93.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.0
55.05513	5.5
56.05013	1.1
57.03436	4.8
57.07060	1.0
65.03926	1.3
67.05503	17.6
69.07074	5.1
69.53520	4.6
71.01362	0.6
71.08626	1.0
79.05493	9.2
81.07053	14.5
83.04971	0.9
83.08604	2.9
83.68890	0.7
85.06530	0.6
91.05473	5.2
93.07040	11.8
94.06565	1.0
95.04948	2.0
95.08607	13.4
96.65800	0.7
97.06526	1.3
97.10162	0.8
100.11230	1.8
101.35081	0.8
105.07013	4.3
107.08581	6.9
109.06527	1.0
109.10150	4.6
110.06046	1.1
117.07002	1.3
119.08572	3.8
121.10145	4.8
123.11700	1.6
131.08551	1.8
133.10112	3.5
135.11707	3.9
137.09560	0.8
143.08566	0.8
145.10123	1.4
147.11684	1.7
149.13251	0.9
151.11221	0.7
152.14442	0.8
154.12213	0.7
159.11700	1.6
161.13251	1.7
163.11188	2.0
165.12843	0.8
173.13268	0.9
177.12769	2.6
180.13812	0.7
197.13193	0.9
205.51727	0.7
221.11505	1.0
239.11119	0.6
259.20554	1.7
261.22260	0.9
276.23303	1.8
277.21677	3.4
294.24240	9.1
318.24191	1.6
335.21951	100.0
335.25787	12.9
336.22144	6.6
336.25433	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	335.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.2
55.05503	4.5
57.03441	3.8
57.07073	2.0
67.05505	20.6
68.85926	1.2
69.07059	5.6
71.51156	1.0
71.51908	1.2
76.22873	1.1
79.05489	9.1
81.07056	15.0
91.05474	6.2
93.07050	10.5
95.04960	2.5
95.08604	14.2
105.07048	4.6
107.08613	6.9
109.06530	2.1
109.10146	6.2
117.07044	1.3
119.08572	4.7
121.10157	3.8
123.11734	1.4
131.08594	3.3
133.09181	1.5
133.10101	3.0
135.11687	2.6
145.10112	2.3
147.11719	1.9
149.13293	1.6
161.13301	1.8
187.14886	1.3
221.11511	4.3
243.21097	2.0
261.22263	2.6
317.21204	2.0
335.21964	100.0
335.25790	13.7
336.10727	1.4
336.22299	3.9
359.81760	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25538	1.3
56.96562	20.9
57.03424	1.9
61.02917	3.0
66.55410	1.2
67.05495	2.0
68.05012	2.1
69.03416	5.0
70.98111	1.3
71.01580	2.5
73.06573	2.0
77.00869	1.6
79.05481	1.6
81.03414	3.3
82.99872	1.7
83.04972	2.4
84.08104	6.8
84.96048	1.9
85.02901	26.3
87.04474	3.0
89.03918	2.8
91.05453	2.0
95.06087	12.1
96.06402	6.3
97.02868	6.7
98.97581	19.5
99.04447	2.2
101.00871	11.7
106.04057	1.3
107.04958	2.8
109.02870	2.2
110.97566	3.0
113.00859	4.2
115.02421	4.1
116.98609	12.2
118.06533	5.6
119.01923	37.1
120.01970	1.6
127.02320	1.4
127.03938	3.3
128.98558	7.1
129.04071	1.4
130.04979	5.9
131.00255	1.7
131.01901	26.2
131.05542	5.9
133.01784	1.5
133.03564	6.6
134.03604	1.4
134.99646	4.5
135.04390	4.1
137.00784	2.7
137.02953	5.7
137.05989	3.8
138.79163	1.4
143.00195	2.9
143.01894	48.4
144.01990	2.3
144.98090	3.9
145.01736	2.9
145.03516	9.3
145.04987	3.0
146.05960	4.7
146.99605	5.2
147.01344	1.7
147.05052	5.3
148.07587	1.4
148.57787	1.4
149.02991	4.0
149.06601	16.8
155.01872	23.5
156.02654	4.2
157.03461	3.3
158.99622	4.3
159.05032	4.7
161.02954	72.7
162.99081	3.7
163.02727	3.6
163.03929	12.6
165.00681	2.2
170.99683	1.5
171.05026	2.7
173.01402	2.4
173.02954	26.0
173.05103	2.8
173.06592	31.2
174.05431	1.4
175.04460	1.8
177.00731	5.7
177.06082	4.9
184.04594	5.4
185.02965	3.0
185.06596	33.5
186.06905	1.8
187.04585	2.1
187.08179	5.7
189.00636	1.8
189.04277	1.6
191.05931	3.0
191.07663	14.5
196.04536	1.9
196.08051	1.7
196.09738	4.3
197.01201	2.2
197.03009	1.6
197.06458	1.9
197.10077	2.1
199.08159	3.6
203.04028	11.3
203.07637	27.4
205.00243	3.5
206.08075	7.9
209.06680	2.7
215.05742	2.4
215.07640	16.8
217.09280	2.7
219.01797	6.0
219.62277	1.4
221.05051	29.1
223.01292	8.8
223.04808	3.6
227.07683	4.6
227.57034	1.8
233.03319	1.9
233.08727	4.5
234.98982	1.6
237.02834	13.5
244.58008	1.9
247.01314	2.7
257.08694	6.8
265.02344	1.8
275.09805	48.4
289.06036	2.3
291.15182	10.5
293.10800	100.0
294.11005	4.2
307.07104	4.2
307.10699	1.5
309.08591	2.2
316.12396	5.4
325.60608	2.7
335.06659	2.7
335.11896	55.3
336.10709	15.7
353.07458	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0737
Annotation	(-)-Arborescidine C
Peak:m/z	Relative Intensity
60.61134	7.0
68.61757	7.0
70.72855	17.4
74.66353	7.2
78.15646	7.1
147.79552	7.4
161.02950	16.2
169.98476	7.7
173.02876	8.5
175.85164	6.5
199.42102	8.0
213.50092	7.6
293.10736	11.9
335.07355	100.0
335.11301	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	335.0739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.9
55.01868	5.2
56.96557	20.5
57.03422	3.4
61.02917	10.0
65.74572	3.4
69.03420	17.8
69.47143	28.0
70.06581	3.7
73.02898	6.1
81.03416	7.8
84.08147	4.3
84.96025	3.4
85.02900	39.9
86.03212	4.3
97.02903	21.2
97.66003	3.3
98.97585	43.7
101.00885	14.6
108.08076	4.1
109.02847	5.1
109.08439	7.7
110.97576	10.2
112.99113	10.1
113.00846	9.1
115.02415	5.1
116.98628	21.8
119.01916	24.5
119.04915	5.1
120.99576	3.4
121.01618	4.4
125.07944	3.4
127.03919	8.9
128.98611	14.1
131.00209	5.5
131.01909	17.4
133.01720	4.4
133.03439	11.1
134.99677	6.5
135.03259	3.5
137.05963	13.8
143.01878	11.1
145.01627	8.6
145.03450	18.4
146.99696	9.6
147.05067	9.2
149.01205	4.2
153.07529	4.6
155.01906	16.7
157.03485	7.7
158.99670	14.4
159.05028	7.2
161.02942	11.2
163.02751	6.5
163.04495	3.6
165.00754	4.1
167.07089	3.5
171.05013	7.4
173.03030	19.6
173.04318	3.6
173.06606	20.7
175.02687	3.6
175.04471	6.3
177.00719	11.6
177.06059	3.2
179.07040	3.4
185.03044	5.7
185.05049	3.8
185.06522	20.0
189.00684	4.2
189.06117	8.2
191.07632	5.5
201.00763	4.8
201.06108	7.8
203.04021	9.1
203.07664	10.2
205.03751	5.2
207.01741	4.2
211.05464	4.0
215.07718	4.9
219.01750	30.5
221.05081	22.8
223.05251	6.7
225.06116	4.2
227.07753	6.9
233.08820	4.2
237.02815	43.6
243.07204	4.2
245.05080	11.9
245.08737	7.0
255.03841	5.5
261.08173	9.5
273.61252	3.4
275.04239	9.0
275.09705	21.9
279.09290	9.6
291.09259	7.3
292.09369	9.8
293.05457	21.5
293.11038	26.2
303.05682	4.3
307.06708	4.0
335.07352	100.0
335.11368	9.4
336.07346	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	335.0737
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96552	3.1
69.42945	12.8
69.43369	10.7
82.42812	3.1
84.13622	2.5
85.02916	3.7
98.20844	5.8
101.00845	6.1
113.00820	3.8
119.01866	9.5
128.98596	3.0
131.01859	3.2
133.03441	3.5
143.01875	6.1
144.03639	2.8
145.03450	6.6
155.01900	3.4
157.03474	3.6
161.02934	9.5
165.85159	2.9
169.03563	2.9
173.02962	5.5
185.02954	6.6
187.04416	2.9
203.03996	3.4
233.25072	3.0
245.05043	4.6
263.06290	4.5
275.06030	5.3
335.07312	100.0
335.10950	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	334.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.6
55.01861	0.5
55.05486	0.6
57.03419	0.4
65.02611	0.2
65.03938	0.4
67.05502	2.2
69.03418	0.4
69.07050	0.5
70.75676	0.5
70.93207	0.2
71.04977	0.2
75.94798	0.2
79.05499	2.2
81.03397	0.7
81.07063	1.1
82.06569	0.3
83.04967	0.6
83.08643	0.2
84.08098	0.3
91.05467	2.9
93.07043	0.9
94.06561	0.5
95.04380	0.3
95.04964	4.6
95.07317	0.3
95.08613	0.3
96.08125	2.1
97.02881	0.3
97.06492	0.4
102.41078	0.2
103.05455	0.7
105.03355	0.8
105.04436	0.3
105.07027	2.1
106.06573	0.6
107.04940	0.9
107.07339	0.5
107.08578	0.9
108.08119	0.6
109.06510	0.9
110.06009	0.6
111.04377	0.2
115.05448	0.6
116.22569	0.2
117.05747	0.8
117.07000	0.9
117.07795	0.2
118.06538	6.6
119.04914	0.5
119.07330	0.3
119.08560	0.7
120.08079	0.7
121.06489	0.3
122.06024	0.5
122.09654	0.9
123.04443	1.9
123.06832	0.4
124.07588	8.7
125.08349	0.3
126.09104	0.3
128.06186	0.6
129.07005	0.8
130.06514	3.8
131.04918	0.6
131.07358	2.0
131.08507	1.6
132.08086	4.2
133.02885	1.0
133.06482	1.0
133.08885	1.1
133.09940	0.2
134.09633	2.1
135.04399	0.5
135.08011	0.2
136.07573	3.7
136.11195	0.4
137.05983	1.6
138.06308	0.7
138.09111	1.7
139.03860	0.2
141.06990	0.5
142.06549	0.3
142.07765	0.3
143.07352	0.4
143.08554	0.6
144.08073	1.5
145.06552	0.3
145.08835	0.7
145.10086	0.5
146.06000	0.8
146.09645	3.4
147.04373	0.3
147.06787	0.4
148.07544	0.7
148.11212	1.3
150.09142	2.9
151.03920	1.4
151.04976	0.2
151.09929	4.4
152.10701	4.3
153.06970	0.3
155.08539	0.6
156.08058	0.9
156.09258	0.3
157.08868	0.4
157.10057	0.4
158.06004	2.7
158.09648	2.3
159.04428	0.5
159.08047	0.5
159.10370	0.6
160.07555	2.2
160.11211	1.7
161.06015	0.3
161.08319	0.8
161.09561	0.3
162.09135	13.9
163.09471	0.7
164.07027	0.5
164.10730	1.2
165.05476	13.8
166.05823	0.6
166.08621	0.3
167.07117	1.0
167.08531	0.3
168.07364	0.7
168.09325	0.5
169.10080	0.3
170.05875	0.2
170.09689	1.1
171.06772	0.3
171.10422	1.7
172.07579	1.5
172.11156	0.8
173.08344	0.6
174.09138	3.2
174.12694	0.5
175.09874	0.5
176.07053	0.7
176.10699	20.2
177.11273	1.8
178.07761	0.3
178.11961	0.2
178.67030	0.3
182.09604	0.4
183.08095	0.3
183.11719	0.4
184.07571	0.7
184.11183	0.4
185.08321	0.4
186.09126	4.9
186.12752	3.1
187.07538	0.3
187.09854	2.1
188.10692	4.9
188.14336	0.6
189.11328	0.6
190.12267	4.0
190.13969	0.3
191.07037	1.3
191.13014	0.4
193.10176	0.4
194.09653	0.5
195.10405	0.8
196.07346	0.3
196.11101	0.5
198.09122	0.8
199.09888	2.0
200.10649	0.9
200.14258	0.7
201.11415	0.6
202.08582	0.5
202.12248	0.6
204.10197	6.3
204.13727	1.6
205.10542	0.3
209.08272	0.2
210.09026	0.5
210.12820	0.6
211.07578	0.2
211.11270	0.5
212.10739	1.2
213.11272	0.3
214.08832	3.6
214.12247	17.2
215.09169	0.5
215.12608	0.9
216.10233	1.0
216.13811	9.3
217.10622	0.3
217.14218	0.5
220.11151	0.3
223.09880	0.4
224.10663	0.4
226.08521	0.3
226.12277	0.5
227.09428	0.7
228.10196	0.7
228.13831	3.7
229.12254	0.3
232.09677	16.9
232.13342	1.0
233.10059	1.1
234.11259	1.0
238.12253	3.6
239.10629	1.2
239.12811	0.4
240.10086	0.3
241.10887	0.2
244.20581	1.0
246.11263	3.1
247.11867	0.3
248.13049	0.5
254.11777	0.4
255.08759	0.4
256.13306	7.6
257.11496	0.3
257.13870	0.5
258.14905	0.5
266.11771	1.9
267.10168	0.6
272.20078	10.7
273.20343	0.6
274.14362	0.7
284.12790	27.8
285.13251	2.7
288.15970	1.9
289.10406	1.0
290.21066	2.5
298.14331	2.3
302.13867	8.4
302.16846	0.3
303.14261	0.8
316.15414	6.4
316.22672	0.4
317.15674	0.6
334.16559	8.1
334.23727	100.0
335.09088	0.5
335.12674	0.4
335.16580	1.2
335.24069	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	334.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.0
55.05493	1.9
55.55931	0.9
57.03415	2.3
59.02805	1.1
61.02906	3.5
69.03429	5.5
69.66953	6.9
70.06614	1.3
71.04984	1.9
73.02899	1.9
75.62588	1.0
81.03432	2.0
84.08140	1.3
85.02900	29.7
91.03931	2.5
91.05479	13.0
95.06073	1.6
97.02895	8.7
98.98437	1.6
99.04445	1.4
109.02864	2.1
109.06499	1.5
119.04948	8.0
122.65848	0.9
127.03923	5.0
137.05974	100.0
145.04977	8.3
151.07594	2.3
153.23505	1.2
155.07043	7.9
161.06056	1.5
172.09659	1.2
179.06934	1.9
180.08609	2.7
185.88086	1.1
192.29654	1.1
203.06953	1.5
205.10539	2.3
225.44980	1.1
263.09094	2.5
334.18542	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	334.1648
Annotation	Egonine
Peak:m/z	Relative Intensity
53.03949	1.6
55.01869	1.3
55.05506	1.6
56.05022	0.7
58.66941	0.6
65.03945	0.7
67.05498	4.6
69.03427	1.0
69.17287	8.1
71.04973	0.9
77.03906	1.1
79.05499	6.1
81.07043	2.2
83.04984	1.6
85.15985	0.6
91.05469	6.6
93.07037	2.4
94.06555	1.5
95.04966	11.0
95.07323	0.7
95.08623	0.8
96.08127	6.6
98.20728	1.4
103.05456	2.2
105.03380	1.5
105.07017	4.6
106.06542	1.2
107.04951	2.6
107.07394	1.1
107.08585	1.9
108.08157	1.6
109.06517	2.5
110.06072	0.7
115.05447	2.5
117.05757	1.5
117.07037	2.9
118.06537	5.9
119.04932	1.1
119.07256	0.7
119.08551	1.1
120.08136	1.6
121.06532	0.8
122.06032	0.8
122.09666	2.0
123.04433	4.2
123.06822	1.7
123.61093	0.6
124.07585	23.8
124.11182	0.7
125.08393	1.1
128.06160	1.1
129.07031	1.8
130.06531	8.5
131.04919	1.8
131.07294	1.8
131.08565	2.8
132.04433	0.7
132.08086	6.9
132.79460	0.7
133.02821	2.3
133.06502	2.3
134.09668	3.8
135.04373	1.9
135.08070	0.8
136.07567	11.5
137.05977	3.2
138.09135	5.4
140.07069	0.7
141.06982	2.0
142.06491	0.8
143.07393	1.4
143.08586	2.6
144.08109	2.8
145.06508	1.0
145.08829	2.2
145.10020	1.4
146.05986	1.8
146.09677	3.5
147.06752	2.2
148.07578	2.6
148.11206	3.0
150.09143	9.5
150.29077	0.6
151.03906	4.0
151.09920	12.8
152.10704	13.6
155.08559	1.3
156.08113	2.2
156.09328	0.8
157.06331	0.7
157.08902	1.2
157.10118	0.8
158.06020	7.7
158.09634	6.1
159.04424	1.8
159.08086	1.6
160.07550	6.0
160.11226	2.7
161.06033	0.7
161.08345	2.7
161.09604	1.1
162.09143	25.8
164.10674	3.8
165.05484	38.1
165.06885	1.6
166.05855	1.0
167.07196	0.8
168.08112	1.4
168.09372	0.9
169.07622	1.0
170.09647	4.8
171.06711	1.2
171.08064	0.9
171.10423	4.0
172.07605	3.7
172.11159	2.1
173.08279	0.8
173.11877	0.8
174.09142	8.0
174.12645	0.7
175.09892	1.6
176.07112	1.9
176.10704	45.0
177.11208	1.6
180.09401	0.9
181.10135	1.0
182.09688	0.8
183.11714	0.8
184.07581	2.3
185.08315	2.2
186.09128	13.0
186.12733	9.7
187.09911	5.7
188.10712	14.6
188.14392	1.3
189.11421	1.9
190.08559	0.8
190.12234	4.4
191.07025	4.3
193.10219	0.9
195.10428	1.5
196.11247	1.4
198.09094	2.3
199.09824	5.0
200.10681	2.9
200.14328	1.6
201.11461	1.3
202.08607	1.2
202.12332	2.3
204.10187	18.1
204.13779	2.0
210.09113	1.6
210.12825	2.0
211.11194	1.8
212.07135	0.8
212.10785	2.8
213.11319	1.2
214.08836	12.1
214.12257	56.4
215.12576	1.5
216.10547	4.7
216.13832	29.8
217.14143	1.1
220.11369	0.7
223.09883	1.4
224.10698	0.9
226.08655	1.3
226.12297	1.0
227.09390	2.0
228.10213	1.5
228.13832	14.1
232.09694	52.4
232.13405	2.0
233.10162	2.6
234.11218	3.3
236.12718	0.7
238.12296	12.1
239.10632	2.6
239.12814	1.2
240.10300	1.0
241.10924	1.3
242.08107	1.0
242.11581	0.8
244.20775	0.7
246.11235	7.8
246.13971	0.8
246.14774	0.9
248.12762	1.9
254.11761	1.6
255.08998	1.4
255.12425	0.7
256.13324	21.8
257.13846	1.0
258.14990	2.2
266.11743	7.0
267.10001	1.6
270.14908	0.8
272.20050	8.9
274.14383	2.7
284.12805	87.3
285.13345	3.2
288.15979	6.2
289.10413	0.7
290.21173	2.6
298.14371	8.4
302.13870	25.8
303.14258	1.1
316.15436	23.9
334.16782	23.6
334.23734	100.0
335.12851	1.0
335.16644	1.0
335.24133	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	4.0
54.17582	0.7
55.05500	1.6
57.03432	1.4
57.07064	1.8
67.05499	3.7
69.07074	2.0
70.06584	1.7
71.04984	1.0
71.08624	1.1
75.78561	0.9
77.00896	1.0
79.05494	4.0
81.03414	13.0
81.07047	5.0
83.04964	1.1
84.08134	1.0
87.04463	0.9
88.07631	1.9
91.05488	4.9
92.51366	0.8
93.07049	4.6
95.04937	1.9
95.08596	2.6
98.98464	19.9
100.98872	2.0
105.07002	4.8
107.04971	1.2
107.08609	1.9
109.02877	38.8
109.06511	1.1
109.10156	1.1
116.99522	0.9
117.07026	1.4
119.08589	3.3
121.10110	0.9
127.03922	9.6
129.07019	1.0
131.08530	0.9
131.19765	1.0
133.10092	3.1
135.11682	0.9
145.10109	1.9
147.11737	1.7
149.02338	4.9
159.11671	1.5
161.13272	1.8
163.11197	0.8
171.11670	1.2
172.81346	0.9
176.69699	0.7
176.98930	2.3
178.76607	0.8
187.62076	1.0
193.04999	4.5
196.62457	1.0
215.11412	0.9
223.91005	0.8
262.10693	1.7
271.28265	1.3
302.24048	5.4
333.20352	100.0
333.25327	3.9
333.31464	4.4
333.75949	2.4
334.20673	2.9
334.29562	0.9
351.20026	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19122	0.6
55.05500	1.0
58.91566	0.6
67.00074	0.6
67.05485	2.6
70.64075	1.9
73.98789	0.6
78.09618	0.6
79.05489	1.9
81.07051	2.4
84.76994	0.6
88.07623	1.5
91.05476	2.3
92.44825	0.7
93.07024	2.3
95.08593	1.9
98.98456	4.6
103.32327	0.6
105.07030	2.2
107.08587	1.6
109.06532	0.8
109.10102	0.7
118.38260	0.6
119.08621	1.1
129.05464	0.8
129.07002	0.7
131.08551	1.3
133.10101	1.2
143.19682	0.6
145.10066	0.9
204.45363	0.7
227.11353	1.1
239.11536	0.7
241.19304	0.8
242.24863	1.1
245.12361	2.4
259.20651	0.8
315.18195	1.2
333.20325	100.0
333.23730	3.4
334.20578	2.8
334.29581	2.2
348.54990	0.7
351.20236	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
58.67238	0.6
62.60863	0.6
67.05469	1.0
71.11481	1.6
79.05470	1.1
81.07038	1.0
91.05459	1.3
92.07076	0.6
93.07045	0.9
98.98438	3.3
105.07005	1.8
107.08578	1.0
119.08566	1.2
121.10188	1.0
133.10080	1.1
173.13228	0.9
221.11415	1.0
235.13025	1.1
251.12495	1.5
333.20334	100.0
334.20755	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03931	0.6
62.87766	0.5
67.05485	1.3
70.06573	0.6
71.51299	1.0
72.75957	0.7
73.89839	0.5
76.59100	0.5
79.05482	0.8
81.07045	1.9
91.05459	0.7
93.07037	0.9
95.08615	0.7
98.98468	3.0
105.07030	0.9
107.36704	0.5
117.76631	0.6
133.10071	0.7
145.10179	0.6
149.02342	1.2
193.04955	1.5
200.20195	0.7
221.11684	0.7
235.13066	0.8
249.36696	0.5
251.12418	0.7
275.20151	0.7
292.22833	1.1
295.04800	0.6
333.20346	100.0
334.20233	3.0
334.23862	1.7
339.63968	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73345	4.6
55.01855	9.8
55.05500	10.7
57.03440	7.0
61.02939	6.6
67.05503	17.0
69.03423	20.4
69.07051	12.3
70.06570	6.4
70.85962	12.8
71.04965	7.5
72.08161	5.8
73.02913	10.9
74.06083	6.6
77.03900	5.7
79.05505	25.0
80.81256	5.3
81.03420	15.7
81.07056	41.3
83.04981	5.6
84.04492	8.8
85.02924	35.7
85.06572	5.5
86.09688	6.3
91.05488	23.7
93.07065	45.7
95.04977	37.0
95.08601	16.0
97.02878	17.6
98.98471	100.0
99.04425	8.3
102.05537	7.0
103.03925	17.7
105.07037	63.5
107.04933	6.5
107.08588	32.1
109.06499	13.4
109.10136	16.9
111.04431	10.8
111.08081	5.7
115.05399	5.5
117.07023	14.3
119.04955	6.5
119.08595	37.8
121.06501	16.8
121.10114	18.3
123.08102	5.7
127.01998	4.7
127.03964	7.3
129.07040	11.0
130.07689	5.0
130.08606	7.5
131.08597	27.0
133.10098	20.1
134.99649	5.8
135.11702	33.4
137.05959	10.1
137.09541	5.4
142.07703	8.6
142.08669	10.0
143.08560	14.6
144.09267	6.0
145.04971	10.1
145.06487	14.7
145.10139	34.2
147.11697	55.8
149.13255	19.8
155.08539	6.7
157.10138	24.3
159.08041	9.2
159.11708	61.3
161.09599	6.3
161.13231	8.4
163.11214	11.5
165.08987	5.8
165.12740	5.9
167.07068	9.7
169.09927	5.7
171.08174	5.5
171.11763	6.6
175.11072	17.6
176.98898	10.9
177.12785	27.6
181.12308	11.3
183.11702	9.2
187.11182	5.5
189.12772	12.7
197.13187	12.3
201.12807	24.4
204.10196	14.6
207.05331	5.6
207.61415	5.7
215.14256	8.9
219.13770	9.1
225.12717	8.3
231.13779	6.4
243.04764	5.7
243.13751	13.5
261.14886	21.0
262.64124	5.9
268.32098	4.7
279.15854	18.2
297.16821	13.9
315.18527	5.6
333.08655	9.3
333.18057	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	333.1331
Annotation	Epicatechin 5,7,3'-trimethyl ether
Peak:m/z	Relative Intensity
56.63945	2.2
58.39019	2.1
65.77187	2.4
67.05502	2.1
69.07069	6.0
69.59176	15.9
73.39273	2.0
78.04716	2.4
79.36478	2.4
81.07043	2.9
84.08153	2.4
84.08640	2.4
84.32783	2.4
85.02904	2.9
90.16666	2.4
91.05464	7.4
93.07050	2.9
95.04943	4.1
98.21522	2.4
98.98450	15.4
100.98883	2.5
101.02898	2.4
103.05408	2.3
105.07025	2.5
107.04955	3.6
107.08644	2.5
109.02863	3.6
109.65079	2.1
119.04952	5.3
119.08575	2.6
121.06506	4.0
122.03652	8.2
123.04419	6.1
131.04906	2.8
137.05981	99.0
138.06358	4.2
139.77977	3.0
147.04390	4.5
149.05981	4.0
151.03922	3.3
151.07533	6.4
153.05435	4.3
153.07030	3.3
161.06084	4.3
162.94240	2.2
163.07507	2.2
165.06993	5.1
167.07047	100.0
176.99066	3.0
181.06528	7.0
181.08641	4.7
182.07225	2.6
183.08072	5.5
184.05180	3.9
195.08125	2.3
211.07530	5.5
213.05545	2.9
217.08546	2.8
223.03999	2.7
224.89977	2.7
227.07135	9.1
243.10193	2.9
255.06601	4.7
257.10712	3.0
271.06390	3.2
271.09628	6.2
288.09921	69.4
289.41116	2.5
301.10907	4.3
303.12262	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	333.1333
Annotation	Catechin 5,7,4'-trimethyl ether
Peak:m/z	Relative Intensity
55.01894	1.2
55.05518	1.8
61.07364	1.6
63.70122	1.1
67.05502	2.2
69.03442	2.2
73.31841	1.2
78.04690	3.0
79.05486	3.7
81.07040	2.1
85.06510	1.2
91.05483	6.8
94.04160	2.5
95.04962	4.2
95.08608	3.0
97.06554	1.4
98.98476	9.2
103.05469	1.6
105.07016	3.5
107.04961	3.1
107.08595	1.8
109.02862	3.8
117.06975	1.5
119.04941	3.6
121.06503	6.1
122.03648	5.8
123.04462	10.1
124.05190	2.7
131.04897	2.5
133.06535	1.9
133.13760	1.3
137.05980	85.1
138.06294	2.1
147.04419	3.3
149.06000	3.0
151.03925	3.0
151.07565	3.9
152.04675	1.5
153.05467	3.8
153.06895	2.6
155.08614	2.4
161.05988	2.2
162.05447	1.2
165.05501	2.4
165.07010	4.6
167.07037	100.0
168.05795	1.8
168.07364	2.3
174.37637	1.3
174.40787	1.2
176.10741	2.0
179.07069	3.6
181.06410	4.8
181.08636	3.2
183.08005	4.2
185.05894	1.3
196.05193	2.4
197.05957	3.8
198.06721	2.5
199.07405	3.9
199.11700	1.5
209.06046	2.7
211.01755	1.5
211.07500	6.8
212.04614	2.7
213.05412	3.0
214.12271	3.2
215.10732	1.4
216.13846	2.0
223.03955	4.2
225.09181	1.7
227.07019	9.3
229.30539	1.5
232.09732	2.5
239.07025	1.5
243.10201	4.0
247.07442	1.3
255.06461	5.5
258.06891	1.7
271.09723	6.5
273.11160	2.3
283.09302	4.4
284.12759	2.4
288.09915	77.3
289.10321	3.0
301.11124	6.6
303.12250	10.3
315.12250	3.2
333.12823	6.1
333.20819	2.0
334.16602	1.4
350.21957	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1331
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63945	2.2
58.39019	2.1
65.77187	2.4
67.05502	2.1
69.07069	6.0
69.59176	15.9
73.39273	2.0
78.04716	2.4
79.36478	2.4
81.07043	2.9
84.08153	2.4
84.08640	2.4
84.32783	2.4
85.02904	2.9
90.16666	2.4
91.05464	7.4
93.07050	2.9
95.04943	4.1
98.21522	2.4
98.98450	15.4
100.98883	2.5
101.02898	2.4
103.05408	2.3
105.07025	2.5
107.04955	3.6
107.08644	2.5
109.02863	3.6
109.65079	2.1
119.04952	5.3
119.08575	2.6
121.06506	4.0
122.03652	8.2
123.04419	6.1
131.04906	2.8
137.05981	99.0
138.06358	4.2
139.77977	3.0
147.04390	4.5
149.05981	4.0
151.03922	3.3
151.07533	6.4
153.05435	4.3
153.07030	3.3
161.06084	4.3
162.94240	2.2
163.07507	2.2
165.06993	5.1
167.07047	100.0
176.99066	3.0
181.06528	7.0
181.08641	4.7
182.07225	2.6
183.08072	5.5
184.05180	3.9
195.08125	2.3
211.07530	5.5
213.05545	2.9
217.08546	2.8
223.03999	2.7
224.89977	2.7
227.07135	9.1
243.10193	2.9
255.06601	4.7
257.10712	3.0
271.06390	3.2
271.09628	6.2
288.09921	69.4
289.41116	2.5
301.10907	4.3
303.12262	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	332.1342
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
51.56522	0.4
53.03944	0.6
54.32550	0.4
55.01868	0.5
57.03429	1.8
58.29282	0.4
61.02937	2.4
65.03952	1.1
67.05501	2.2
69.03092	0.7
69.03435	6.3
69.40176	3.3
69.40582	0.9
73.02919	2.0
79.05482	1.8
81.03400	2.1
81.07039	0.9
83.01333	0.5
85.02910	7.4
87.04454	2.0
91.03961	0.6
92.04989	0.4
93.05808	0.7
96.08161	0.7
97.02898	3.2
99.04404	0.9
101.02364	0.7
106.06562	5.6
108.08120	100.0
109.02876	1.3
109.08465	1.1
123.06812	2.9
124.07595	14.4
127.03905	1.9
134.06024	8.6
136.07582	12.5
152.07066	66.9
153.07425	0.6
154.08632	2.2
170.08104	5.4
170.09380	0.7
187.65015	0.5
314.12323	32.4
315.12723	1.2
332.13406	43.9
333.13788	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0968
Annotation	Sulochrin
Peak:m/z	Relative Intensity
53.03947	4.2
55.01852	6.1
57.17063	1.9
59.32730	2.0
65.03931	2.8
67.05489	8.8
69.03409	5.4
71.51592	2.4
79.05495	11.4
81.03412	3.8
81.07015	2.5
83.01340	6.0
85.02882	2.2
85.06506	3.4
91.05478	17.9
93.07059	2.4
95.01311	3.6
95.04972	15.6
97.02892	2.8
98.83215	2.0
98.98445	8.1
103.05455	17.7
105.03368	4.5
105.07040	4.7
107.04955	5.2
115.05426	13.1
119.04953	4.9
119.08551	2.3
121.06546	2.2
123.04436	11.0
125.02354	2.7
128.06232	30.0
129.03362	2.6
129.07027	18.4
130.04121	2.9
131.04958	10.7
131.08536	2.6
133.02840	8.7
133.06505	2.6
135.04387	2.9
135.57268	1.9
137.02328	2.7
137.05948	8.6
139.03860	3.9
141.06973	8.4
143.04874	2.8
143.08559	13.6
145.06470	6.7
147.04405	6.4
147.07994	2.6
151.03905	37.3
152.06198	16.8
153.05772	3.7
153.06990	40.5
154.07646	3.5
155.06017	2.7
155.08539	7.1
157.02823	4.8
157.06517	14.4
158.03601	2.7
159.04410	24.9
159.08044	2.4
160.04666	2.2
161.06038	2.6
162.03117	31.8
163.03833	3.9
165.05469	27.2
165.07011	8.8
167.07024	5.9
168.05707	3.9
169.06471	8.4
171.04434	3.7
171.08049	19.8
173.05942	3.4
175.03902	26.7
175.07501	5.1
177.05452	3.0
181.06448	32.1
181.08858	2.3
183.08058	6.2
184.05247	2.4
185.05978	16.4
186.03130	2.1
187.03954	5.4
187.07492	2.8
189.05351	3.8
197.06021	3.9
199.07549	30.5
200.07991	3.0
203.03395	49.6
203.07089	3.5
204.03894	5.1
205.04994	3.4
209.05956	22.3
211.07532	7.3
213.05528	13.9
214.57039	1.9
217.05034	2.9
219.02902	3.1
225.05568	3.9
226.06122	2.5
227.07034	46.1
231.02882	54.6
231.06577	6.2
232.03569	9.6
235.06032	5.5
237.05495	15.3
239.07108	4.0
243.06528	2.7
245.08092	5.4
255.06526	80.9
256.06992	4.6
257.07858	3.3
263.05576	7.6
265.04935	5.3
273.07571	100.0
274.07880	2.8
283.06012	35.6
284.06534	2.4
288.09976	3.1
289.07010	2.0
294.34106	2.4
301.07062	70.0
302.07309	4.7
315.08615	2.6
327.10831	2.4
333.09686	42.8
333.13138	1.5
334.10104	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	332.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27076	0.5
53.03933	1.0
55.01876	0.9
56.96575	0.6
57.03431	1.8
61.02917	2.4
63.21944	0.5
65.03942	1.3
67.05506	2.7
69.03438	8.2
71.36683	0.9
73.02913	2.6
79.05492	1.2
80.25735	0.7
81.03413	2.2
85.02906	12.3
87.04454	1.5
91.03937	0.6
92.05000	0.8
93.05786	1.4
96.08120	1.5
97.02885	5.8
98.97587	0.5
99.04453	1.2
106.06543	3.9
108.08119	100.0
109.02901	1.0
109.08460	1.2
116.98626	0.6
119.01931	1.2
123.06812	4.0
124.07592	16.1
125.86507	0.6
127.03958	3.3
132.93674	0.6
133.53574	0.6
134.06007	10.9
136.07585	13.1
143.00188	0.8
145.04950	1.2
152.07071	61.3
154.08653	1.7
159.05029	0.8
161.05534	5.3
170.06087	1.8
170.08134	5.4
170.99649	0.5
173.02985	0.8
219.07123	1.8
221.04976	0.9
231.07076	0.7
291.03723	0.8
309.04968	2.1
314.12332	31.5
315.12738	1.2
321.10458	4.6
322.10529	0.9
332.13416	47.0
333.13809	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	11.4
57.03428	7.4
57.07072	89.9
58.07407	2.8
64.30036	1.7
67.05502	24.4
69.07069	16.3
69.54294	14.3
70.06583	11.6
71.08251	3.2
71.08627	58.4
75.04458	3.1
81.07054	31.0
83.08247	1.9
83.08627	24.1
85.06567	2.8
85.10179	31.7
88.07622	14.4
89.07940	3.8
91.05476	5.4
94.85215	1.9
95.08601	40.4
97.10159	13.4
97.55939	2.0
98.98462	100.0
99.11685	3.2
100.45074	1.7
100.98906	2.3
102.09171	3.1
103.07569	1.7
105.07047	2.1
106.08645	6.4
109.10144	21.7
116.99477	2.0
119.08567	2.1
123.11688	9.1
135.08003	2.1
137.05980	6.8
137.13232	4.5
147.04370	2.0
151.07541	3.9
151.14827	1.9
160.58208	1.8
163.10995	1.8
165.16443	2.1
174.99174	2.8
175.03830	9.7
176.98886	6.9
229.08629	2.6
239.23676	16.2
239.66745	1.9
241.08571	4.1
243.10381	3.1
247.09564	2.5
257.24738	5.5
269.00983	1.8
313.27338	56.1
313.32925	6.4
322.23416	2.0
331.08102	2.7
331.15308	3.3
331.33969	98.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	7.0
57.03428	3.0
57.07074	56.5
58.07407	1.2
58.12818	1.2
58.48780	1.3
59.71007	1.3
67.05500	13.1
69.06792	1.0
69.07066	10.7
70.06589	10.9
70.76238	2.1
70.76586	2.6
71.08250	2.3
71.08627	39.7
72.08977	1.5
75.04469	2.1
79.05452	1.6
81.07053	20.4
83.08627	14.8
83.85208	1.4
85.06588	1.2
85.10178	20.9
88.07619	12.2
89.06036	1.2
89.07965	2.2
95.08611	31.6
97.10171	7.4
98.01534	1.3
98.98463	28.2
99.11697	1.7
102.09163	2.9
103.07601	1.6
106.08659	6.6
106.40014	1.3
109.10150	13.1
111.11751	1.6
123.11667	5.2
125.13306	1.9
137.13232	3.9
175.03778	2.3
176.98885	1.4
239.23723	10.8
257.24814	4.4
313.27359	34.5
313.33032	5.4
331.33987	100.0
332.34375	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	8.5
57.03439	2.4
57.06799	1.7
57.07076	34.8
62.06348	1.0
67.05506	13.6
69.07069	6.6
70.23402	1.1
70.49986	3.5
71.08636	24.7
81.07059	14.0
82.35097	1.0
83.08624	9.7
85.06535	3.6
85.10188	15.0
85.79274	1.2
91.05482	4.3
93.07027	3.0
95.05000	1.3
95.08608	21.2
97.10166	5.1
97.97889	1.1
98.21278	1.2
98.98467	100.0
99.11729	1.5
105.07034	3.2
109.10175	11.2
116.99506	3.3
119.08556	1.5
123.08000	1.2
123.11696	3.6
129.07002	1.3
131.08569	1.3
137.05959	4.0
137.13258	2.3
140.01096	2.6
147.04427	1.6
147.11511	1.2
149.06032	1.8
151.07567	7.2
174.99184	2.7
175.03900	10.3
175.11270	1.2
176.98892	7.1
187.03911	1.7
189.09122	1.7
205.08080	1.3
229.08607	3.8
239.23671	7.7
247.09659	4.2
252.99438	1.5
255.10291	1.7
257.24750	2.0
259.09631	1.4
287.12833	3.1
313.14209	1.4
313.27332	21.3
331.08118	1.8
331.15182	1.9
331.19104	1.6
331.22696	2.7
331.34091	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	331.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01835	0.6
55.05505	1.4
56.96568	0.6
57.03431	0.9
57.07075	0.9
65.03935	0.7
67.05497	2.4
69.07056	1.2
70.06565	0.7
70.76428	1.1
71.08615	0.6
71.74349	0.5
79.05491	0.8
81.07030	1.3
85.06528	1.1
87.04443	1.0
88.07621	0.9
91.05477	2.6
93.07015	0.7
95.04982	0.5
95.08582	1.2
97.06513	0.7
98.98462	62.9
100.98865	1.2
101.05999	1.8
102.06361	0.8
102.09134	0.7
105.07049	0.8
107.08588	0.8
108.76479	0.5
109.06540	0.5
110.24715	0.5
116.99493	2.4
119.08536	0.9
131.04941	0.8
131.08562	0.8
133.10133	0.5
137.06007	2.5
140.01044	0.9
143.08536	0.6
145.10188	0.5
147.04298	0.7
151.07515	3.2
156.81725	0.5
157.06519	0.5
161.05995	0.8
163.07462	0.9
174.99239	2.6
175.03909	6.1
176.98938	4.5
177.05431	1.1
187.03886	1.4
189.09143	1.4
195.08069	1.2
204.10190	1.2
227.10718	1.1
229.08775	0.5
231.10207	0.8
241.08636	1.1
243.10278	1.1
247.09680	2.7
253.12242	0.7
255.10109	1.5
257.26630	1.0
259.09753	0.7
285.11237	0.6
287.12799	0.9
313.14417	0.9
313.17819	2.2
315.05048	0.6
331.18781	100.0
331.29749	3.3
332.19180	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	331.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73679	0.5
55.05499	1.0
57.03427	1.0
57.07064	0.9
64.47617	0.5
67.05487	1.7
69.07057	0.7
69.86356	1.9
69.86760	1.0
79.05484	1.4
81.07047	1.2
85.06530	0.9
88.07578	0.5
91.05477	2.1
93.07023	1.0
95.08593	1.1
98.98466	64.9
100.98907	1.5
105.07047	1.3
107.08598	1.1
109.06522	0.7
116.99497	2.5
117.07023	0.7
119.04928	0.7
119.08577	1.2
121.10153	0.6
127.03953	0.6
129.05502	0.8
129.06966	0.8
131.04909	0.7
131.08553	1.4
133.10106	0.8
137.05925	1.3
140.01083	1.1
143.08569	0.7
144.83061	0.5
145.10146	1.4
147.04437	1.0
147.11546	0.5
151.07555	0.8
153.07095	0.8
157.06497	0.6
157.10150	0.7
159.11693	1.2
163.03911	0.8
165.06999	0.7
169.10185	0.8
173.13177	0.6
174.99232	2.7
175.01593	0.6
175.03909	7.1
176.04453	0.5
176.98901	4.2
177.05545	0.8
181.06380	0.6
183.08073	0.5
187.03867	1.4
189.05449	0.8
189.09071	1.0
195.09914	1.0
197.05829	0.6
199.03946	0.9
201.09749	0.6
213.09560	0.5
229.08630	1.7
231.10561	1.3
241.08618	1.7
242.24915	0.9
243.10226	1.3
247.09689	2.7
259.09698	0.7
287.12955	0.7
313.14374	1.1
313.17798	0.6
315.05106	0.8
331.07993	1.6
331.11871	2.8
331.18799	100.0
332.12140	0.7
332.19122	5.0
349.17169	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.165
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05020	0.5
57.07083	0.2
64.95355	0.1
67.05490	0.3
68.05015	0.5
70.06591	6.1
70.76504	0.3
71.28030	0.1
72.08158	0.6
77.26652	0.1
79.05442	0.2
79.05862	0.1
85.02899	0.2
85.06541	0.3
85.53664	0.1
86.06068	2.4
88.02206	0.4
91.05482	1.2
93.72615	0.1
96.08125	0.2
98.09665	0.2
98.98464	14.0
100.98873	0.5
104.03992	0.1
105.07042	0.7
108.08104	0.3
114.05528	4.8
114.09167	0.4
115.05449	0.3
116.06239	0.5
116.99489	0.6
117.07014	0.4
117.18575	0.1
119.08595	0.7
129.06976	0.6
131.04948	0.2
131.08569	1.2
133.06445	0.1
133.10127	0.2
134.02702	0.2
135.07996	0.1
137.35144	0.1
142.08630	8.6
143.04916	0.3
144.08066	1.7
145.06477	1.0
145.07802	0.2
145.08826	1.1
147.04408	0.2
152.07042	0.2
158.09651	1.6
160.07567	0.6
163.03918	0.2
163.07431	0.2
167.07072	0.2
167.33755	0.1
171.29578	0.1
172.07616	0.8
174.99217	0.5
175.03908	0.8
175.07521	0.2
176.98918	1.0
177.05554	0.2
178.12303	0.2
187.03935	0.1
188.07040	0.3
202.08601	1.1
204.10191	100.0
205.10474	1.3
215.06802	0.1
216.10181	0.2
218.11685	0.3
229.08601	0.2
230.11826	0.1
241.08606	0.2
247.09691	0.5
259.09824	0.2
259.14496	0.3
281.07773	0.1
313.14505	0.2
319.15808	0.1
331.13287	0.2
331.16553	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	331.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03580	1.9
61.29310	1.4
67.05508	1.6
70.19316	6.8
79.05482	4.7
81.07056	2.7
85.19767	1.8
91.05473	32.5
94.04178	3.1
95.04964	7.8
98.24966	1.4
98.98451	6.1
103.05457	6.8
104.05713	2.1
105.07007	5.5
107.04941	10.5
109.06485	5.3
115.05441	3.5
119.04942	17.8
121.06527	8.7
122.03659	8.1
123.04484	1.9
123.08052	1.9
128.06219	5.1
129.07019	15.8
131.04916	5.2
131.08478	1.6
133.06454	2.3
135.04410	1.6
135.08057	6.6
136.05190	3.3
137.05972	95.2
143.04877	1.9
145.06459	5.7
146.03609	1.5
146.07300	2.1
147.04349	2.5
148.05115	2.4
149.05954	16.4
151.03961	3.6
151.07535	100.0
152.06229	5.4
152.07849	1.6
153.06981	2.0
155.06058	1.6
157.06464	13.0
161.05991	15.1
161.09570	3.8
163.07550	20.1
165.07010	12.4
165.09119	4.6
166.07726	3.9
167.08536	16.5
169.06476	2.6
174.06746	4.9
175.07507	4.8
177.06964	1.8
177.09062	3.2
178.07779	4.9
179.08438	3.0
181.06497	5.4
181.54594	1.5
182.07274	5.1
183.08084	1.7
189.09102	38.6
193.06497	7.9
193.10187	8.7
194.07208	2.3
195.08026	29.1
196.08694	2.8
197.05939	5.2
197.09512	1.8
199.07405	1.9
202.07582	2.8
203.08521	3.5
205.06551	2.8
207.08157	3.1
207.10152	6.1
209.05972	4.1
209.09624	5.0
210.06743	10.2
211.07494	5.3
212.08333	7.4
213.09129	2.3
221.06033	10.0
221.09543	14.2
223.07550	12.2
224.08269	4.7
225.05487	2.1
225.09081	10.9
227.07059	3.2
227.10649	34.7
228.10902	1.9
234.06664	1.7
237.05360	1.6
237.09077	3.4
238.06239	4.8
239.07016	3.0
239.10576	2.0
240.07852	3.6
241.08577	2.4
241.12358	1.8
248.08287	1.6
249.09096	7.9
252.07787	2.7
253.08597	14.6
253.12315	14.5
254.09250	1.8
255.06357	2.2
255.07367	2.3
255.10150	33.4
256.10669	2.4
263.10626	1.6
267.10104	5.4
269.08093	4.7
269.11533	3.1
270.08691	2.2
272.10312	3.6
281.11743	5.0
285.11197	21.7
287.12762	45.3
298.12064	1.9
313.14334	14.4
328.27658	1.6
331.15646	8.1
335.03711	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	1.9
53.03938	1.8
55.01860	1.9
57.93398	1.7
65.03925	1.9
69.80074	7.2
79.05495	3.0
79.99463	1.5
81.07040	3.4
82.34528	1.4
91.05487	35.7
92.77567	1.7
93.11013	1.7
94.04202	4.5
95.04966	6.6
98.98452	14.0
103.05455	6.0
105.07018	6.5
107.04939	6.0
109.06513	3.3
115.05460	3.0
117.07024	3.6
119.04959	16.1
121.06510	7.7
122.03683	9.1
128.06224	6.5
129.07010	16.5
131.04930	5.7
131.08569	1.5
135.08064	5.5
136.05191	5.1
137.05983	82.3
143.04929	1.9
145.06473	2.6
146.03613	1.7
147.04399	2.3
149.06000	15.3
150.06813	2.3
151.03941	3.4
151.07545	100.0
152.06223	4.7
153.07021	2.1
157.06493	13.3
161.05984	16.9
161.09592	3.4
163.04045	1.9
163.07538	26.1
165.06953	12.0
165.09129	3.9
166.07758	3.7
167.08554	20.4
174.06790	7.0
175.07535	5.5
177.06969	1.9
177.09111	2.2
178.07796	6.9
179.08562	2.5
181.06451	5.1
182.07341	3.8
183.08075	2.6
187.07553	2.0
189.09111	37.6
191.08385	1.9
192.09352	2.3
193.06520	7.1
193.08444	1.9
193.10185	7.8
194.07306	5.0
195.08072	26.6
196.08630	3.0
197.06013	4.3
203.08578	3.7
204.10275	1.7
206.07407	2.8
207.08121	2.6
207.10182	5.9
209.05983	4.3
209.09586	5.1
210.06770	10.6
211.07596	3.8
212.08333	5.2
213.09062	2.5
220.08722	1.7
221.05988	10.2
221.09581	12.3
223.07480	12.9
224.08313	4.7
225.05542	1.8
225.09097	12.1
227.07184	3.2
227.10680	31.4
231.08046	2.3
234.06763	3.0
237.05504	1.7
237.09047	4.3
238.06248	5.6
239.07051	2.0
240.07808	4.5
241.08545	3.2
241.12360	2.0
247.07506	1.7
249.09157	7.7
253.08551	13.0
253.12242	16.6
255.06325	2.6
255.07379	2.5
255.10144	31.3
256.10727	2.1
267.10236	8.5
269.08215	2.7
269.11569	3.5
272.10367	4.0
281.11716	6.8
284.10214	1.5
285.11163	21.2
287.12784	47.3
288.13159	2.0
313.14465	13.4
331.15308	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	331.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03944	2.3
69.65446	1.4
69.87555	1.6
71.26777	4.8
79.05495	4.6
81.07071	3.3
91.05483	30.3
94.04209	3.8
95.04965	7.0
98.98446	5.8
103.05482	6.0
105.07043	4.9
107.04957	12.0
109.06515	4.9
115.05473	2.3
117.07014	2.4
119.04935	18.7
121.06518	7.7
122.03652	5.4
123.04433	2.2
127.04153	1.6
128.06223	4.0
129.07004	16.5
131.04918	7.3
131.08594	1.7
135.04381	2.0
135.08058	6.0
136.05185	3.8
137.05971	80.1
145.06494	2.8
146.03777	1.8
148.05208	3.4
149.06004	18.8
151.03886	4.6
151.07541	100.0
152.06276	2.5
157.06509	11.0
161.05994	29.9
161.09616	7.1
161.35262	1.8
163.03905	4.3
163.07533	28.5
165.05817	2.0
165.06966	11.2
165.09137	6.3
166.07805	3.4
167.08569	13.7
174.06766	7.9
175.07587	6.6
177.06998	3.1
177.09125	3.9
178.07814	6.3
181.06471	5.4
181.08615	2.8
189.09100	38.9
189.10757	2.9
193.06456	8.1
193.10124	8.4
194.07306	3.2
195.08051	25.6
196.08781	2.5
197.05962	5.1
202.07840	2.7
203.08505	4.1
205.06329	2.2
206.07419	2.6
207.08354	3.4
207.10197	12.2
209.05922	5.1
209.09628	4.9
210.06769	11.4
211.07510	3.8
212.08305	5.0
220.08688	1.8
221.05995	11.0
221.09584	14.3
223.07510	15.7
224.08295	4.7
225.05641	2.5
225.09085	11.6
227.07036	4.6
227.10641	33.7
227.12741	3.3
229.13005	1.8
234.12361	2.0
237.09018	3.7
238.06207	4.3
238.09859	3.0
240.07912	4.6
241.12068	2.4
249.09148	6.5
252.07840	2.9
253.08673	14.8
253.12192	20.6
254.69942	1.8
255.06380	3.4
255.07323	3.0
255.10159	36.2
266.09387	2.0
267.10172	7.2
269.08066	5.9
269.11725	3.1
270.08691	4.0
271.09482	3.0
272.10471	4.4
281.11771	5.8
282.12064	2.2
285.11179	21.9
287.12799	43.6
313.14392	18.5
316.09015	5.8
331.11389	6.7
331.15356	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1539
Annotation	Fragransol-B
Peak:m/z	Relative Intensity
55.99616	1.6
65.03961	1.7
68.93630	1.7
70.99605	4.5
79.05507	4.2
86.62041	1.9
91.05481	30.5
94.04200	4.4
95.04984	5.2
99.34501	2.0
103.05467	5.4
105.07037	6.1
107.04984	8.5
109.06511	3.8
115.05470	1.9
117.07015	3.2
119.04951	20.3
121.06514	5.2
122.03649	7.4
124.30725	1.7
128.06247	5.8
129.07016	16.5
129.65311	1.9
131.04953	4.5
133.06453	2.6
135.08041	6.4
136.05212	3.7
136.50583	1.6
136.57799	1.9
137.05980	86.3
145.06470	4.2
146.07187	2.0
149.06009	11.3
151.07549	100.0
152.06223	4.2
154.07806	2.3
157.06496	11.9
161.05988	13.7
161.09642	4.0
163.07542	20.6
165.07013	13.6
165.09135	3.7
166.07751	3.9
167.08597	16.3
169.06458	3.6
169.60779	1.7
173.05942	2.2
174.06729	9.7
175.07582	3.4
177.07034	2.3
177.09271	2.1
178.07808	8.2
181.06532	5.5
181.10101	2.7
182.07256	3.8
189.09105	33.1
192.09296	2.9
193.06511	9.5
193.08449	1.9
193.10126	9.8
194.07317	5.2
195.08109	25.4
195.28964	1.8
196.08710	3.3
197.06003	5.4
197.09645	1.8
202.07979	1.8
203.08397	2.0
204.46812	1.8
207.10172	4.3
209.05939	2.3
209.09659	3.0
210.06775	10.9
211.07533	3.8
212.08388	3.6
219.08083	2.2
221.06059	8.8
221.09567	12.5
223.07542	14.1
224.08293	5.0
225.09201	11.3
227.07077	2.9
227.10689	32.4
237.09183	3.7
238.06271	5.0
239.07040	3.1
240.07822	3.2
241.08549	2.7
241.12344	2.5
249.09184	7.3
252.07870	4.1
253.08665	12.1
253.12233	15.5
255.10176	33.1
267.10150	5.2
269.08142	6.4
269.11682	3.1
270.09033	2.5
272.10327	3.4
281.11697	5.1
284.10599	3.8
285.11176	20.7
287.12811	51.2
301.13879	1.9
313.14392	13.0
331.15262	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	331.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	3.1
69.11906	2.6
69.62359	12.7
69.62785	8.3
79.05463	7.5
91.05480	35.9
93.07007	2.8
94.04179	4.4
95.04951	8.2
98.98449	14.0
103.05457	10.8
105.07026	5.7
107.04955	26.8
109.06512	6.8
109.66959	2.6
113.91349	2.7
115.05435	3.8
119.04941	24.3
121.06501	8.7
122.03651	10.5
128.06206	8.2
129.07004	22.1
131.04919	8.6
131.08553	4.8
133.02808	3.6
135.08049	8.6
136.05156	2.8
137.05975	98.7
145.06448	5.9
146.03671	3.0
146.07251	3.8
149.05983	21.0
151.03928	3.3
151.07538	100.0
152.06166	4.2
153.06903	3.7
157.06448	13.7
161.05978	48.4
161.09589	11.5
162.32431	3.0
163.07552	36.8
165.07019	16.1
165.09137	5.6
166.07745	4.9
167.08571	22.4
169.06410	4.5
170.15593	2.8
174.06741	5.3
175.07487	7.1
177.06982	3.2
178.07784	6.5
179.08537	3.0
181.06453	6.6
181.08609	4.3
182.07208	5.2
189.09100	57.9
191.08580	3.7
191.43045	3.3
193.06439	9.2
193.10159	7.7
194.07274	4.9
195.08031	31.1
197.05965	6.9
207.08366	4.3
207.10077	19.8
209.06113	3.9
210.06795	8.7
211.07556	4.8
212.08334	6.0
221.06091	15.0
221.09625	15.3
223.07590	17.7
224.08310	6.7
225.09071	16.7
226.09949	3.3
227.07059	3.8
227.10640	35.0
231.07854	3.4
232.49544	2.6
237.09103	5.0
238.06239	8.3
238.09975	3.6
239.07037	4.0
239.10452	3.4
240.07780	6.6
242.95657	3.0
249.08949	4.3
253.08553	15.7
253.12225	18.6
254.08986	3.2
255.07358	4.1
255.10132	34.6
267.09973	6.6
269.07983	4.8
270.15234	3.1
281.11716	6.7
285.11234	25.0
287.12811	49.1
297.40659	3.5
313.14319	17.9
331.15292	6.3
345.36734	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1536
Annotation	2',3'-Dihydro-jatamansin
Peak:m/z	Relative Intensity
55.01861	1.0
55.05510	8.0
57.07076	5.9
59.98925	0.9
65.03944	4.9
65.44923	1.1
67.05495	20.8
69.07050	2.9
71.04980	1.4
71.34678	1.6
79.05480	1.7
81.07055	1.1
85.06534	19.0
91.05467	8.3
93.07014	1.7
93.90982	0.9
95.08578	1.1
98.98458	64.3
100.98882	1.5
105.07037	2.3
107.04945	1.0
115.05437	1.2
116.99511	2.7
119.04946	3.6
119.08595	1.1
121.06490	1.2
121.10151	1.3
128.06189	2.2
129.06982	1.2
131.04932	9.0
133.06476	1.6
133.10075	1.0
137.05940	2.1
141.06989	1.2
145.06477	1.7
147.04401	15.7
149.05957	0.9
151.07520	2.6
153.06967	1.0
155.08534	1.3
157.10112	1.4
159.04437	8.0
161.05948	2.6
163.03864	3.6
169.06401	1.1
171.04407	2.1
173.05972	2.4
174.99181	3.0
175.03896	100.0
176.98911	5.5
177.05470	12.4
185.05959	1.2
187.03896	21.9
187.07527	3.0
189.05489	11.5
189.09035	1.2
195.07983	1.2
198.06734	1.6
199.03873	9.0
201.05452	7.7
203.03377	5.9
203.06979	1.0
211.07509	2.0
212.04578	1.3
213.05406	4.1
213.09155	1.9
215.06996	4.3
217.04977	1.3
217.08591	1.7
223.07564	1.4
225.09103	1.4
226.06252	7.1
227.06897	2.3
228.07791	1.6
229.08597	28.4
230.08894	1.0
231.10153	20.4
239.06918	1.2
241.08569	20.7
243.10144	20.2
245.08061	2.5
247.09637	43.3
248.09927	1.1
253.08615	3.1
259.09622	16.4
261.11316	1.3
271.09738	1.5
287.12698	1.6
295.13272	3.7
313.14313	15.4
315.05161	1.6
331.07999	1.7
331.11856	1.6
331.15317	9.8
331.22229	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1534
Annotation	2',3'-Dihydro-jatamansin
Peak:m/z	Relative Intensity
53.80686	0.9
55.05511	4.1
57.07058	3.5
65.03932	2.2
67.05499	11.9
69.07060	2.2
70.20230	1.9
70.20634	1.7
79.05466	1.4
81.07045	1.3
85.06539	10.3
91.05478	7.1
93.07043	1.0
95.08623	1.1
97.06493	1.5
98.20800	0.9
98.98463	66.6
99.13307	0.8
100.98891	2.2
103.05473	1.3
105.07014	1.4
109.50736	0.8
115.05425	1.2
116.99483	2.5
117.07021	1.0
119.04912	3.4
119.08584	1.3
120.01885	0.7
121.10097	1.1
131.04961	3.9
131.08582	1.0
133.06435	1.2
137.05963	2.7
138.91306	0.8
142.39807	1.0
145.06464	1.7
145.10120	1.1
147.04399	15.0
151.07532	2.4
155.08498	1.6
157.06520	1.2
157.10124	1.3
159.04399	6.4
161.05914	2.5
163.03873	2.8
167.07147	1.2
167.08505	1.2
171.04349	1.0
173.05936	1.4
174.99170	2.9
175.03894	100.0
176.04312	1.8
176.98894	4.6
177.05479	8.7
185.05905	0.9
187.03882	13.2
187.07500	2.4
189.05428	8.0
189.09070	1.5
195.08145	1.2
197.05890	1.2
199.03824	4.8
199.07596	1.2
201.05475	4.1
203.03322	4.0
203.07033	1.9
204.10107	1.3
211.07491	1.7
213.05502	1.7
213.09030	1.0
215.07040	3.3
217.05058	1.3
217.08603	1.8
226.06264	3.1
227.07106	1.6
228.07729	1.1
229.08607	18.0
231.10107	9.9
241.08565	10.6
243.10146	10.0
245.08247	1.6
247.09647	26.7
252.99757	1.1
253.08568	2.4
259.09613	8.4
287.12622	1.2
295.13171	1.5
313.14401	6.3
315.04721	1.3
316.09381	1.0
331.08258	2.1
331.11942	3.3
331.15363	63.4
332.15656	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1538
Annotation	Fragransol-B
Peak:m/z	Relative Intensity
55.01856	2.6
55.84837	1.5
65.03934	3.3
67.05478	1.6
69.03433	1.6
69.28027	3.8
69.28439	11.4
70.06579	1.4
78.03542	1.4
79.05486	4.9
81.07044	8.1
83.34421	1.5
91.05479	32.2
91.10572	1.5
94.04192	2.1
95.04962	6.5
98.98476	19.8
103.05472	5.5
105.06992	3.6
107.04939	8.9
109.06506	6.6
111.04475	2.8
115.05453	2.7
117.07020	3.6
119.04941	21.7
121.06479	4.4
122.03635	10.1
123.11637	2.4
128.06230	6.4
129.06996	17.1
131.04906	7.6
133.06467	3.2
135.08040	4.6
136.05199	4.0
137.05972	86.1
145.06479	5.0
146.03618	3.3
146.07213	2.4
148.05167	2.6
149.05969	16.7
151.03932	4.0
151.07539	100.0
152.06244	3.4
153.06952	2.5
156.05794	1.8
157.06487	12.5
161.05977	17.3
161.09576	3.8
163.07562	25.3
165.07016	15.4
165.09099	6.9
166.07745	4.0
167.07190	2.0
167.08530	20.1
169.06505	1.8
174.06766	6.3
175.07521	5.5
176.98895	2.1
177.06987	2.7
177.09006	3.0
178.07730	8.0
179.08459	3.5
181.06415	6.7
182.07230	6.1
183.07895	1.9
189.09099	37.3
192.09326	2.1
193.06543	9.0
193.10112	6.5
194.07280	3.5
195.08061	28.9
197.05975	4.4
199.07628	1.9
202.07758	3.0
203.08600	3.1
204.10234	2.4
206.07272	2.1
207.08174	1.6
207.10143	5.9
209.05908	3.4
209.09575	4.1
210.06802	12.1
211.07506	4.7
212.08356	4.0
219.07951	2.0
221.06000	10.4
221.09540	11.2
222.06728	1.9
223.07516	12.2
224.08313	6.2
225.05441	2.4
225.09041	12.0
227.07088	3.6
227.10670	34.0
234.06671	1.5
235.07562	2.0
237.05180	2.1
237.09071	3.7
238.06224	5.8
239.07011	2.9
240.07811	6.1
241.08597	1.8
249.09093	6.2
252.07686	1.8
253.08542	16.8
253.12225	20.0
254.09235	2.6
255.06215	2.0
255.10155	32.1
267.10217	7.3
269.08066	5.8
269.11575	2.6
270.08502	3.7
272.10403	5.1
281.11646	7.6
284.10355	3.3
285.11160	23.2
287.12787	49.1
288.13037	2.3
299.12793	3.2
301.14413	2.1
313.14328	14.6
316.09055	5.2
331.11584	7.2
331.15347	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	331.1176
Annotation	Pterolinus F
Peak:m/z	Relative Intensity
52.37379	1.7
55.01882	3.7
55.05506	3.6
65.03943	3.8
67.05482	3.0
71.04968	2.4
71.51527	3.1
79.05492	5.4
81.03403	2.0
81.07054	6.9
85.06508	2.5
91.05489	11.9
93.03409	3.7
95.04968	4.2
95.08607	3.3
96.02090	3.0
98.98469	99.0
100.98906	2.6
103.05485	2.7
105.06995	2.1
107.04979	5.1
109.02867	1.9
111.04436	13.5
115.05466	7.6
116.99533	3.7
117.07012	4.2
119.04929	6.5
119.08569	2.3
121.06503	5.5
122.03668	2.9
123.04489	1.8
123.11699	7.4
128.06238	6.4
129.07033	6.6
131.04944	4.9
132.05673	2.4
135.08031	2.1
137.05971	30.7
139.03897	11.1
141.07013	8.8
145.06503	8.2
147.04424	7.2
147.08052	3.2
149.05949	5.2
151.03964	1.8
151.07565	26.8
152.06258	3.5
153.01884	3.0
153.05505	3.0
153.06984	8.4
154.07764	3.7
155.07268	2.0
155.08588	4.9
157.06468	6.9
158.07285	4.3
161.05968	8.4
163.07542	8.6
164.52943	1.9
165.07010	9.3
166.07846	2.5
167.03400	6.7
167.07220	2.4
167.08583	7.1
168.05734	5.8
169.06516	10.3
171.04344	4.3
171.08066	4.7
173.05994	4.3
174.06760	4.9
174.99234	4.7
175.03926	7.8
176.98952	8.3
177.05466	3.0
178.07817	8.4
179.08554	10.7
181.06552	11.8
181.08662	2.1
182.07249	7.9
183.08043	6.3
184.05200	4.6
185.05986	15.3
186.06764	8.1
187.03838	2.8
189.07420	2.2
189.09096	12.0
193.06508	3.7
193.10120	4.4
195.08038	7.9
196.05208	4.2
196.08827	2.7
197.05994	24.6
197.09662	8.3
198.06709	3.2
199.07529	5.5
201.05464	2.3
202.07886	2.2
204.10226	6.9
206.07286	2.8
207.04408	2.8
207.08121	10.3
209.05777	8.4
210.06668	9.7
211.07567	18.0
212.04742	5.0
212.08154	2.0
213.05479	7.6
213.09149	4.0
214.06245	11.8
221.05988	5.6
221.09579	3.7
223.07532	6.0
224.04774	4.0
224.08241	12.0
225.05511	23.7
225.09067	25.0
226.06290	11.3
226.09550	2.3
227.07037	29.4
227.10690	9.4
228.07567	2.1
229.04918	12.7
229.08595	4.8
235.07605	7.3
237.05360	3.2
238.06207	4.9
239.07098	15.3
239.10686	9.7
240.07703	2.6
241.04924	5.0
241.08620	5.9
242.05792	20.6
242.09314	2.8
243.10103	4.8
244.07219	3.6
249.09149	5.2
252.04155	3.5
252.07837	3.8
253.04721	3.9
253.05717	2.7
253.08586	44.4
253.12231	5.4
254.05811	11.3
255.06529	39.6
255.10040	7.4
256.07190	4.1
257.04395	2.6
257.08139	8.2
257.11722	6.1
258.05215	6.8
263.07047	2.6
267.06604	5.9
267.09973	9.1
269.08075	2.9
270.05240	18.6
270.08710	13.7
271.06512	2.3
271.09579	14.4
272.06760	6.5
281.08133	19.9
282.08752	4.4
285.07578	85.9
285.11179	30.9
286.07874	4.1
287.05710	9.9
287.09796	2.7
287.12747	13.9
299.09149	45.4
299.12479	3.5
301.03506	2.7
301.07297	2.1
302.04285	5.2
313.03497	3.6
313.07379	3.3
313.10782	55.1
313.14252	5.7
315.04999	62.4
316.05551	7.8
316.09033	10.2
331.08081	100.0
331.11734	68.4
331.15546	11.0
331.18848	3.1
332.08490	8.0
332.12054	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1175
Annotation	Pterolinus F
Peak:m/z	Relative Intensity
55.01857	4.6
55.05514	3.5
65.03934	9.0
67.05503	5.0
69.03408	2.4
69.44366	18.9
69.44772	3.5
79.05481	7.6
81.03413	3.1
81.07053	3.9
91.05478	28.4
93.03341	2.7
94.04170	3.6
95.04968	10.1
96.02079	5.8
98.98457	70.4
103.05448	6.5
105.07045	7.9
107.04967	9.4
109.06490	3.6
111.04433	20.4
115.05462	7.3
117.07003	3.8
119.04937	18.1
121.06508	6.5
122.03661	9.7
123.04435	6.9
128.06236	8.7
129.07001	14.2
131.04919	8.9
131.08557	4.4
135.08060	5.2
137.02252	2.5
137.05980	71.1
139.03891	14.7
141.06985	8.5
143.04927	4.0
145.06487	14.8
146.07260	6.6
147.04414	9.5
147.07993	4.7
148.05240	3.3
149.05972	15.5
151.03920	4.0
151.07530	79.4
152.06226	8.4
153.01843	4.0
153.05533	3.7
153.06975	9.4
154.07820	3.7
155.08502	4.2
157.06429	14.5
160.05222	3.1
161.05971	18.1
161.09622	6.5
163.03973	5.0
163.07552	24.4
165.05663	4.1
165.06927	20.6
165.09151	5.2
166.07816	2.7
167.03439	7.1
167.07120	5.0
167.08557	16.1
168.05725	5.8
169.06451	11.3
169.10114	3.6
171.08023	6.0
173.05942	5.7
174.06769	7.8
175.03932	5.5
175.07480	5.4
176.98915	3.5
177.09053	4.4
178.07802	13.6
179.08488	14.5
181.06450	21.1
181.08586	3.4
182.07228	13.9
183.04454	3.5
183.08011	10.5
184.05270	5.7
185.05919	16.7
186.06749	9.0
189.07298	4.3
189.09073	32.7
193.06505	7.6
193.10101	6.7
194.07256	2.9
195.08046	24.5
196.05199	5.9
196.08763	5.5
197.05959	28.7
197.09639	13.1
198.06685	6.1
199.03932	5.7
199.07520	10.2
204.10298	3.2
206.07355	4.0
207.08078	13.2
207.10121	7.1
208.05148	3.3
209.05832	9.9
209.09581	3.8
210.06740	13.9
211.07542	25.8
212.04681	4.5
212.08095	3.7
213.05493	11.6
213.09027	5.4
214.06267	10.0
221.06015	12.4
221.09654	10.9
223.07448	13.0
224.08282	20.2
225.05508	28.7
225.09007	30.0
226.06282	14.9
227.07051	35.6
227.10649	22.0
228.04243	3.6
228.07607	5.6
229.04988	13.8
229.08603	4.4
235.07568	13.8
237.05354	7.8
237.09119	4.9
238.06195	12.2
239.06921	18.3
239.10597	5.9
240.07733	7.4
241.05000	7.5
241.08571	8.5
242.05727	16.6
242.09442	4.2
243.10019	3.8
249.09166	8.9
253.04884	6.0
253.08586	54.7
253.12331	14.5
254.05702	16.7
255.06494	38.8
255.10121	30.1
256.07169	7.8
257.08069	9.7
257.11707	5.1
267.06815	7.4
267.10202	15.3
269.08044	7.0
270.05634	14.6
270.08578	18.4
271.09705	16.7
272.06824	11.9
272.10065	5.3
281.08099	29.2
281.11237	5.0
282.08707	5.2
285.07578	100.0
285.11179	43.0
286.07993	5.9
287.05423	5.6
287.12753	38.2
288.09702	3.7
299.09128	80.6
300.09427	6.1
302.04150	3.3
313.03409	5.0
313.10736	67.7
313.14325	13.0
314.10977	3.3
315.04904	44.7
316.08914	11.8
331.04172	5.8
331.08066	72.1
331.11731	87.9
331.15564	11.4
332.08411	5.0
332.12042	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	331.0811
Annotation	Apometzgerin
Peak:m/z	Relative Intensity
70.75347	0.5
70.75686	0.6
73.68274	0.3
81.06941	0.3
91.05406	0.3
98.98466	2.5
100.55257	0.3
119.75977	0.2
129.53181	0.3
137.05936	0.5
153.01799	1.8
153.06947	0.3
154.02568	0.6
163.03838	0.3
165.06960	0.5
178.02536	0.8
179.03357	0.4
185.05933	0.5
189.09032	0.4
197.05803	0.5
199.04063	0.3
213.05382	0.8
214.06174	0.5
215.06880	0.3
225.05391	0.3
229.04797	0.4
241.04852	1.1
242.05707	7.4
245.04535	0.3
255.02739	0.4
257.04492	0.4
258.05231	6.0
269.04367	1.2
270.05222	18.4
271.05637	0.9
273.03976	2.7
274.04553	0.4
285.04016	1.8
286.04688	2.3
287.05472	10.4
288.05988	0.6
298.04770	1.5
299.05475	1.2
301.03461	3.0
302.04199	4.9
313.03397	4.5
315.04968	74.0
316.05698	15.3
317.06064	0.6
331.08112	100.0
331.11319	3.9
332.08493	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	331.0809
Annotation	Malvidin
Peak:m/z	Relative Intensity
66.10406	0.2
68.99763	0.2
70.14067	0.7
70.14487	0.5
79.05413	0.3
79.81992	0.2
81.15685	0.2
85.55981	0.2
88.01579	0.2
89.03816	0.2
91.05389	0.5
95.04865	0.2
97.06450	0.3
98.98347	4.2
119.04832	0.2
135.04434	0.3
137.02209	0.4
137.05861	0.8
151.03941	0.2
151.07419	0.9
152.06091	0.3
153.01804	1.6
153.06885	0.3
154.02534	0.5
157.06378	0.4
161.05814	0.3
165.06955	0.5
167.08452	0.2
168.05566	0.2
169.06413	0.2
175.03812	0.4
176.98833	0.3
178.02490	0.4
179.06947	0.3
180.05692	0.2
181.06406	0.5
183.07967	0.4
185.05849	0.4
189.09059	0.2
195.07944	0.5
197.05920	0.5
198.06627	0.2
199.07570	0.2
201.37587	0.2
204.09999	0.2
209.05701	0.2
210.06593	0.5
211.07385	0.5
213.05367	0.7
214.06068	0.4
227.06963	0.3
227.10452	0.3
228.07544	0.2
229.04742	0.3
241.04854	0.8
242.03476	0.3
242.05721	5.2
243.06183	0.3
245.04428	0.2
253.04884	0.5
253.08620	0.3
255.02858	0.3
257.04449	0.3
258.05219	5.3
269.04373	0.7
270.05219	13.3
271.05624	0.8
271.09808	0.3
273.03931	2.8
285.03888	1.2
285.31354	0.2
286.04706	2.0
287.05447	6.7
287.12653	0.3
288.05981	0.3
298.04657	0.4
299.05569	1.1
301.03433	3.0
302.04184	4.2
313.03430	3.2
315.04962	58.7
316.05627	7.0
316.08902	0.3
331.08105	100.0
331.11475	4.9
332.08414	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	331.0804
Annotation	Apometzgerin
Peak:m/z	Relative Intensity
52.83578	0.1
56.53885	0.1
60.98889	0.1
69.60609	0.7
79.05461	0.1
81.07037	0.1
91.05469	0.3
95.04936	0.1
98.98466	2.3
100.98875	0.1
107.04922	0.2
108.02072	0.4
118.04215	0.1
119.04883	0.1
128.06224	0.1
129.06966	0.3
131.04883	0.2
133.02989	0.1
135.04381	0.1
136.01480	0.1
137.00610	0.1
137.02324	0.4
137.05971	0.7
150.03177	0.1
151.03857	0.1
151.07535	0.5
152.06207	0.3
153.01823	2.0
153.05548	0.1
153.06979	0.3
154.02589	0.5
157.06456	0.2
163.03906	0.3
163.07480	0.2
164.37569	0.1
165.06953	0.6
166.07722	0.1
167.07164	0.1
167.08545	0.2
168.05656	0.2
169.06483	0.2
171.07854	0.1
175.03860	0.3
176.98961	0.3
178.02615	0.7
179.03313	0.1
179.07034	0.1
181.06473	0.3
183.08060	0.3
185.06004	0.4
193.06479	0.2
195.08020	0.4
196.05191	0.2
197.06010	0.5
198.06836	0.2
199.07574	0.2
200.04813	0.2
201.05449	0.2
203.03384	0.4
204.10112	0.3
207.04445	0.2
208.05112	0.1
209.05904	0.2
210.06906	0.2
211.07497	0.4
212.04605	0.1
212.08295	0.2
213.05440	1.0
213.08968	0.2
214.06223	0.4
215.06891	0.1
223.07504	0.2
224.04697	0.3
225.05348	0.2
225.09081	0.3
227.07117	0.1
227.10732	0.2
229.04924	0.4
229.08519	0.1
230.05711	0.1
238.06096	0.2
239.06961	0.1
241.04935	1.1
242.05728	7.3
243.06216	0.2
243.10118	0.2
245.04460	0.2
252.04063	0.1
253.04884	0.6
253.08522	0.2
255.02870	0.5
255.06503	0.1
255.10155	0.2
257.04483	0.3
257.07953	0.1
258.05206	5.5
259.05743	0.3
269.04410	1.1
270.05222	18.1
271.05731	0.9
271.09079	0.2
271.09561	0.3
273.03931	2.1
273.06781	0.2
274.04382	0.2
281.08063	0.1
285.03909	1.5
286.04697	1.9
287.05484	11.5
287.12518	0.3
288.05939	0.3
298.04742	1.4
299.05499	1.7
299.09045	0.3
300.05948	0.1
301.03412	2.9
302.04172	4.5
303.04449	0.2
313.03397	4.4
314.03815	0.2
315.04962	73.4
316.05695	15.5
317.05969	0.5
331.08102	100.0
331.11450	4.6
331.46768	0.1
332.08463	4.2
332.11972	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.3365
Annotation	icosasphinganine
Peak:m/z	Relative Intensity
57.07080	7.4
58.06588	0.6
62.06063	0.7
65.39565	0.2
67.53607	0.3
68.05035	0.3
69.07061	0.3
70.06593	12.3
70.78166	0.6
71.08634	2.8
81.21271	0.2
85.10169	1.2
88.07629	14.9
98.97985	0.3
98.98482	2.6
102.09177	3.6
106.08669	8.3
168.91672	0.2
241.13710	0.3
268.29987	0.3
286.31079	0.6
301.80280	0.3
301.83853	0.3
312.32590	6.4
330.33649	100.0
331.33997	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0803
Annotation	Dillenetin
Peak:m/z	Relative Intensity
68.61073	0.1
68.99453	0.1
68.99786	0.1
69.24386	0.1
69.24944	0.2
69.25349	0.7
79.05445	0.1
91.05446	0.3
95.04955	0.1
98.98461	2.4
104.77978	0.1
105.35517	0.1
107.04916	0.2
108.02083	0.2
118.04159	0.2
127.03933	0.1
129.06963	0.1
131.04857	0.1
135.04385	0.2
136.01607	0.1
137.02296	0.3
137.05965	0.7
141.06923	0.1
149.05937	0.2
150.03177	0.1
151.03859	0.2
151.07501	0.4
152.06197	0.2
153.01828	2.0
153.06964	0.3
154.02625	0.6
155.08553	0.1
157.06502	0.2
158.07253	0.1
161.05949	0.1
163.03839	0.3
163.07568	0.2
164.04652	0.1
165.06934	0.3
167.07018	0.1
167.08434	0.1
168.05681	0.2
169.06447	0.1
170.02104	0.2
171.02898	0.1
175.03848	0.1
176.98907	0.1
178.02591	1.0
179.03323	0.1
181.06396	0.3
183.08054	0.2
184.05159	0.1
185.05962	0.3
186.06514	0.1
189.09146	0.2
195.08086	0.2
196.05130	0.1
197.05934	0.4
200.04672	0.1
201.05400	0.1
203.03360	0.3
204.09970	0.1
209.05830	0.1
210.06770	0.3
211.07568	0.3
212.04626	0.1
212.08330	0.2
213.05510	0.7
213.08809	0.1
214.06215	0.5
224.04691	0.1
225.05368	0.2
225.08989	0.1
226.06303	0.1
227.07062	0.2
227.10628	0.2
228.07712	0.1
229.04904	0.4
238.06139	0.2
240.07697	0.1
241.04926	1.2
242.05717	7.4
243.06213	0.4
243.10114	0.1
245.04533	0.3
246.08292	0.1
247.09822	0.1
253.04942	0.6
253.08673	0.1
255.02878	0.3
255.06339	0.1
255.10316	0.1
256.03598	0.1
257.04532	0.3
258.05206	4.8
259.05841	0.3
269.04443	1.1
269.07446	0.1
270.05206	19.6
271.05643	0.8
271.09595	0.2
273.01004	0.1
273.03934	2.3
273.06934	0.1
274.04474	0.2
285.03934	1.6
285.10657	0.1
286.04675	1.8
287.05472	10.8
288.05902	0.4
298.04700	1.6
299.05521	1.8
299.09030	0.3
301.03403	3.1
302.04178	5.4
313.03394	4.3
313.14319	0.1
314.03555	0.1
315.04947	77.4
316.05692	16.9
317.06012	0.4
331.08081	100.0
331.11258	3.5
332.08429	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	330.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.6
55.01870	3.3
55.05510	44.4
56.96554	1.5
57.03429	1.4
57.07066	1.8
59.04985	1.6
62.08289	1.0
67.05502	17.0
69.03432	5.9
69.07070	10.1
69.96594	1.8
69.97013	3.7
71.07629	1.1
71.08621	2.4
77.38577	1.0
79.05482	12.0
81.03408	3.0
81.07056	16.6
83.04989	5.1
83.08614	32.1
84.23592	1.0
85.06532	3.1
87.04463	3.1
91.05466	3.5
93.07041	6.1
95.04945	2.5
95.08595	4.8
97.10168	62.1
97.70148	1.2
98.10457	1.3
98.21422	1.6
98.98465	91.2
99.08080	2.4
100.98905	1.4
105.07019	4.7
107.08586	19.2
108.08978	1.4
109.06513	2.2
109.10153	4.0
111.08095	1.4
116.99473	2.6
117.07020	1.9
119.08581	2.2
121.10159	2.8
125.09629	56.3
126.09989	1.5
126.12776	2.3
129.07027	1.1
131.08517	1.3
133.10127	2.7
135.08035	4.7
135.11667	2.9
137.05948	1.4
143.10684	3.2
147.11693	2.4
149.13298	1.5
151.07535	2.0
151.11198	3.7
153.09183	4.8
161.13243	2.4
163.14867	1.8
170.11801	1.6
171.10211	5.9
171.11502	1.6
174.99219	4.1
175.03928	3.4
176.98917	5.6
179.14267	1.6
187.03844	1.3
189.11217	100.0
190.11604	2.2
211.16882	1.2
241.19623	1.7
247.09688	1.7
259.20538	3.4
277.21628	47.1
278.21902	3.0
295.22693	7.9
313.14398	1.9
317.16144	1.0
330.13559	1.8
330.29962	2.4
330.33545	2.7
331.08182	1.9
331.15570	2.3
339.20038	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	9.6
57.07064	4.6
67.05494	11.1
69.07049	3.7
70.64352	9.7
71.08614	3.3
73.20921	3.5
79.05497	8.5
81.07060	13.8
83.08614	7.1
84.04507	8.1
85.06528	3.8
87.04475	8.5
88.07623	4.1
91.05476	8.6
93.07049	9.9
95.08607	11.3
97.06521	4.6
97.10155	5.3
98.98463	100.0
99.08076	3.6
100.11266	4.5
102.05536	4.7
105.07023	5.1
107.08575	5.4
116.99491	5.5
119.08633	3.1
120.32888	3.0
130.04985	7.2
131.08601	3.0
133.10110	4.6
139.11221	3.1
148.06024	7.6
151.11179	3.8
174.99301	4.2
175.03868	5.7
176.98933	6.8
189.11107	6.2
235.40735	3.0
244.59673	2.8
247.09698	2.8
253.08763	3.6
277.21680	9.7
299.74020	3.2
330.29895	10.7
330.33505	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	330.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.2
55.05500	3.7
57.03435	2.1
57.07072	5.5
58.06603	1.9
67.05495	5.7
68.76067	0.8
69.07058	3.6
69.41599	0.8
69.41953	8.4
69.96195	0.9
70.06586	3.0
71.08629	3.3
72.08151	6.4
74.39558	0.8
75.72260	0.8
77.97411	1.0
79.05478	3.8
81.07054	6.6
83.04965	1.9
83.08604	2.1
85.06565	1.4
87.04469	8.7
88.07635	5.5
91.05466	4.3
93.07043	5.2
95.04995	2.4
95.08591	3.0
97.06538	1.0
97.71234	1.0
98.98462	100.0
100.11263	2.2
100.98898	1.0
101.06004	12.6
102.09185	2.2
102.57579	1.0
105.07040	2.3
107.08585	2.6
109.06477	1.1
116.99525	4.3
119.08558	1.9
121.06466	1.6
121.10121	2.2
131.04964	1.2
131.08537	1.1
132.21896	0.9
133.10106	1.4
137.05980	1.7
139.11176	1.4
140.01039	2.2
144.36081	0.9
149.13289	2.3
150.93419	0.9
151.07573	2.1
156.17517	5.1
161.05959	1.1
170.18929	2.3
174.99248	3.4
175.03938	5.7
176.98860	5.6
189.11235	1.5
195.13818	3.1
204.10327	1.1
229.08824	1.1
231.10201	1.1
241.08766	1.1
243.10596	0.9
247.09631	3.1
249.14182	1.0
256.26382	5.1
268.29950	10.5
270.27859	1.9
277.21561	2.9
295.22650	1.9
315.08563	1.6
330.13663	2.2
330.29980	19.2
330.33670	35.0
331.08151	1.1
331.18674	1.6
331.30319	1.4
349.18585	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1382
Annotation	STEMOFURAN R
Peak:m/z	Relative Intensity
53.03945	1.3
55.01880	4.5
55.05504	2.0
65.03945	1.3
67.05508	4.7
69.03426	1.9
69.07078	1.4
70.30552	0.6
70.30901	2.3
71.04990	0.6
74.15569	0.6
79.05487	3.5
81.03420	10.7
81.07045	1.1
83.04971	0.7
86.09829	0.6
89.03925	2.0
91.05485	5.6
93.07053	3.6
94.04182	0.8
95.04970	9.9
95.08559	1.0
97.02895	2.4
97.06499	1.0
98.98466	100.0
99.04444	1.3
103.05471	3.2
105.03360	1.1
105.04518	0.7
105.07033	1.5
107.04956	5.1
107.06896	1.4
109.06512	1.4
111.04411	0.9
115.05471	2.4
116.99507	2.9
117.03372	3.4
117.06993	1.2
119.04977	1.5
120.04464	0.8
121.02944	1.2
121.06522	5.6
122.03638	0.8
123.04436	8.7
127.05455	0.8
128.06181	1.0
129.06998	1.5
131.04947	1.6
132.21585	0.7
133.06483	1.6
134.03604	1.3
135.04405	5.1
137.05998	7.3
139.05524	0.9
141.05539	0.8
141.06992	1.7
144.05649	1.0
145.02812	3.5
145.06480	2.1
147.04433	1.2
149.05983	2.9
151.03917	14.0
151.05029	1.2
151.07628	0.7
152.06175	1.0
153.06979	1.9
155.04912	1.0
155.08537	0.9
157.06531	0.9
159.08090	1.9
161.05988	4.8
163.03909	24.7
164.04272	0.6
164.06985	1.2
165.05554	1.2
165.07056	5.6
167.07076	2.7
167.08566	1.7
168.05592	0.8
169.06500	1.4
171.08058	1.3
173.02362	1.3
173.05997	9.5
174.99240	8.0
175.03914	0.9
175.07571	2.4
176.98911	4.2
177.05557	0.9
179.08566	1.8
181.06512	4.0
182.07304	1.9
183.08040	2.2
185.05998	2.6
187.07568	2.7
189.05504	1.6
190.07722	2.0
191.08504	3.2
193.06499	2.4
194.07306	1.2
195.08151	5.5
195.11684	0.8
197.05974	2.7
197.09692	1.9
199.03905	2.0
199.07547	2.8
200.04594	0.7
201.05434	4.5
205.06535	2.0
207.08109	2.9
208.05197	4.7
208.08827	3.1
209.05962	1.8
209.09605	2.6
210.06670	3.5
211.07520	4.3
212.08434	1.5
213.05467	9.7
213.08997	1.0
214.06097	1.1
215.07053	1.5
217.04961	21.4
218.07253	0.9
219.08023	5.6
220.08820	0.8
221.06065	2.5
221.09592	1.3
222.06680	1.4
223.07603	4.4
223.11142	5.7
224.08133	1.1
225.05478	2.5
225.09117	4.8
226.06281	2.2
227.07030	8.8
227.10538	1.1
235.07588	1.8
236.04736	1.7
236.08263	3.2
237.05486	1.6
237.09186	5.6
238.06261	1.6
239.07008	4.2
239.10785	1.0
240.07817	6.8
241.08580	4.2
241.12263	1.4
243.06453	0.8
247.07497	2.2
248.08299	1.6
250.06071	0.9
251.07079	3.0
251.10638	6.0
252.11266	0.8
253.04944	1.4
253.08614	10.1
254.05789	1.7
254.09302	1.8
255.06567	4.8
255.10144	2.4
264.07642	1.1
265.08600	4.7
265.12244	1.9
266.09210	0.9
267.06461	1.8
267.10178	2.9
268.07312	13.9
268.10611	1.0
269.08087	5.7
269.11716	1.8
270.08875	9.1
271.09619	0.9
279.10153	4.7
280.10825	1.4
281.08032	1.3
282.08609	0.9
283.09659	29.2
283.13272	15.2
284.10172	0.8
284.13629	1.3
285.11111	1.4
293.11761	2.9
296.10455	3.0
297.11380	11.2
301.11035	0.9
301.14325	4.6
311.09396	0.8
311.12784	20.7
315.08600	9.8
329.06427	1.7
329.10236	6.7
329.13806	55.5
330.10901	8.9
330.14297	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	328.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49778	0.7
55.05510	4.2
55.05975	0.7
56.05067	0.6
67.05500	6.7
69.07059	1.9
79.05499	5.8
81.03416	0.8
81.07048	4.7
83.08627	2.6
91.05483	4.0
93.07047	4.8
95.04967	2.4
95.08597	2.6
95.58566	0.8
97.06467	0.8
97.10171	1.3
98.98466	100.0
100.98907	0.9
105.07030	3.0
107.08583	4.1
109.10185	3.6
116.99504	3.1
117.07043	1.4
119.08582	2.6
121.10164	2.2
125.09615	1.2
131.08612	1.3
133.10141	1.9
137.09631	1.4
140.01129	1.0
147.11641	0.8
163.11253	0.9
172.13391	1.0
173.11722	2.0
174.99216	9.0
175.99693	0.7
176.98965	3.4
186.89677	0.7
193.12239	1.1
275.20178	2.4
339.74496	0.8
345.79562	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.6
55.05518	3.8
56.47150	0.4
57.03441	0.5
67.05507	5.1
69.03429	1.0
69.07069	2.8
70.12009	1.9
71.05033	0.6
79.05496	4.8
81.07053	4.0
83.04967	0.9
83.08620	2.4
83.54956	0.4
91.05476	4.0
93.07042	4.3
95.04974	1.4
95.08607	3.4
97.06519	1.1
97.10184	3.3
98.98467	100.0
100.98846	0.5
101.25639	0.4
103.05468	0.5
105.07013	2.5
107.08606	4.4
109.06522	0.4
109.10175	2.3
111.08083	0.5
116.99510	3.4
117.06995	0.9
119.08573	1.5
121.10133	2.9
125.09644	4.0
131.08600	0.7
133.10124	1.4
135.08080	0.6
135.11787	0.5
137.05968	0.6
137.09581	1.1
139.01556	0.6
140.01100	1.3
144.46104	0.5
145.10115	0.6
147.11726	0.8
151.07526	0.5
155.10721	0.5
159.11671	0.7
173.11742	1.1
173.13181	0.5
174.99234	9.0
175.99574	0.6
176.98921	3.2
185.09721	0.5
189.11218	3.6
217.04997	0.5
252.99876	0.8
265.55167	0.5
275.20099	3.5
283.10159	0.5
328.15704	1.2
329.13766	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.9
55.05509	3.0
57.07082	1.4
59.05612	1.4
61.63907	1.2
67.05499	5.0
69.07067	3.9
70.63988	5.1
74.62021	1.4
79.05490	3.9
79.81804	1.2
81.07034	6.7
82.89926	1.3
83.08572	1.5
91.05463	4.0
93.07050	5.0
95.04953	2.2
95.08595	2.6
98.98464	100.0
101.10719	1.6
105.07005	7.1
107.08591	4.6
109.06491	1.8
109.10142	8.9
116.99521	2.2
119.08622	1.9
121.10150	1.8
121.11378	1.5
133.10118	11.0
137.09595	1.4
151.11195	5.8
158.76422	1.4
174.99202	6.8
176.98903	3.5
221.21150	1.3
252.99722	1.5
275.20059	5.2
292.34875	1.6
293.21243	2.7
328.35727	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	328.248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	36.5
59.76309	3.5
62.76237	2.9
67.05495	10.6
69.03430	5.2
69.07066	5.0
69.25921	29.7
72.72486	3.0
74.37901	3.2
79.05498	17.9
81.07040	10.9
83.08607	25.2
91.05491	8.7
93.07064	2.9
97.10171	54.2
98.98466	100.0
105.07015	8.6
107.08590	51.4
125.07815	3.0
125.09626	44.4
125.10458	4.4
131.08543	3.8
133.10126	4.1
145.10100	4.0
153.09145	4.5
171.10277	4.3
174.99234	4.1
181.12282	5.3
189.11227	72.0
239.17924	3.9
249.33937	3.3
257.19000	5.6
275.20093	43.3
281.15997	3.2
305.16058	7.8
323.16907	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	327.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.1
55.01864	2.4
55.05510	4.4
57.03427	1.0
57.07064	2.5
62.13470	0.7
65.03933	1.2
67.05499	11.1
69.03426	3.4
69.07066	11.7
71.04987	2.7
71.08640	1.3
71.51193	1.2
75.23949	0.6
78.67148	0.6
79.05489	5.5
81.03417	12.0
81.07053	27.1
82.03784	0.8
83.05003	0.8
83.08612	5.3
85.02909	1.1
85.06558	3.7
91.05479	6.5
93.07040	10.8
94.04191	0.7
95.04975	2.7
95.08609	17.1
97.02877	1.3
97.06530	2.4
97.10152	2.1
98.98463	100.0
99.08090	3.2
103.05489	4.0
105.07032	5.0
107.04940	2.3
107.08584	5.5
109.02868	2.4
109.06536	1.7
109.10151	16.5
111.04462	1.1
111.08073	5.1
111.11714	1.8
115.05431	1.9
116.99482	3.1
117.07008	1.8
119.04927	1.4
119.08617	3.7
121.06505	2.3
121.10122	4.8
122.03629	1.9
123.04514	0.9
123.08053	0.7
123.11702	6.7
127.03923	1.5
128.06233	0.9
129.06961	0.7
131.04909	4.5
133.02878	2.1
133.06502	5.4
133.10088	1.3
135.08034	2.1
135.11693	2.9
137.05977	27.4
137.08659	1.2
137.09601	11.9
137.13216	3.5
138.06282	0.7
139.11177	0.7
143.04860	1.3
143.08482	0.9
144.05696	0.7
145.06480	1.8
147.04343	1.3
147.08012	1.1
147.11676	1.4
149.05902	1.3
149.13232	3.3
151.03885	7.1
151.04979	1.1
151.07527	2.2
151.14827	0.8
152.06197	0.7
153.05635	1.1
153.06996	2.6
153.12706	1.2
155.10733	1.0
155.14230	1.1
160.05112	0.9
161.05936	2.8
161.13278	0.9
163.03877	4.7
163.07565	7.1
163.14824	0.9
165.05673	1.2
165.07004	5.1
165.09091	7.7
165.12741	1.0
166.07639	1.0
167.08585	1.1
169.06372	1.3
171.04424	1.2
171.08000	1.2
173.02388	1.6
173.05962	1.2
174.99216	12.4
175.07527	2.9
177.06898	1.2
178.07733	3.9
179.05005	0.7
179.08467	2.4
181.06427	4.2
182.07227	2.6
183.08003	1.1
183.13759	0.7
187.03883	1.6
189.05429	0.9
189.07008	2.7
190.07535	1.0
191.17970	0.9
192.05533	1.3
193.06464	2.7
194.07262	1.7
195.08041	2.0
196.08815	1.5
197.06006	1.0
197.09500	0.8
198.06587	0.9
199.03897	1.7
202.07791	1.1
203.06902	1.5
203.08640	0.8
203.10623	0.9
205.06473	2.0
206.07254	4.7
207.08023	6.2
209.05956	3.0
209.09543	0.9
210.06793	3.5
211.07454	1.2
211.11017	0.8
217.06491	1.3
217.19615	0.7
218.07156	1.5
219.07915	1.5
220.05150	1.6
221.03885	1.3
221.05823	4.6
221.09561	2.1
222.06677	2.0
223.07541	4.1
224.08249	3.6
225.05403	1.2
225.09058	2.3
227.06969	1.0
233.06023	0.8
234.06731	5.8
235.07498	7.3
236.08095	1.9
237.05553	1.6
237.09013	2.7
238.06358	4.3
239.06934	2.7
239.10670	5.6
240.07878	1.8
241.08528	1.0
247.07399	1.4
249.05373	2.3
249.09064	7.8
250.06277	1.3
250.99922	2.0
251.06960	2.7
252.07863	4.9
253.08577	4.7
254.09189	1.1
262.06226	1.7
263.07031	2.5
264.07626	1.1
265.04910	0.9
265.08548	1.7
266.05707	4.8
266.09045	1.3
267.06628	1.5
267.10074	6.4
268.07193	2.7
268.10217	1.3
269.07932	1.4
277.05096	1.2
277.08548	10.7
278.05832	0.8
278.08777	1.5
279.06363	1.3
280.07144	2.2
281.08041	9.0
281.11475	1.7
282.08374	1.7
283.09598	4.5
283.12827	1.1
288.71326	0.8
291.26804	2.6
294.08838	0.9
295.06262	1.2
295.09677	11.8
295.12955	1.5
296.10089	2.3
297.11090	1.2
299.12689	4.4
309.07477	5.6
309.11166	4.5
309.14429	1.0
309.27832	2.6
312.09897	1.0
327.08612	1.5
327.12164	27.7
327.15588	2.0
328.12546	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	327.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.6
55.01862	2.9
55.05508	6.5
55.77959	0.9
57.03429	1.0
57.07064	2.8
59.04996	1.8
65.03930	1.8
65.79009	0.8
67.05503	14.5
69.03426	3.4
69.07067	17.0
69.22833	8.0
71.04980	2.8
71.08629	0.9
79.05479	6.8
80.05019	3.0
80.06284	0.9
81.03414	15.9
81.07053	30.8
81.07535	1.5
83.08617	5.8
85.06532	3.9
91.05488	8.2
93.07047	12.1
94.04175	1.6
94.06554	1.1
94.07781	1.0
95.04973	3.6
95.08606	20.8
95.17974	0.9
96.04487	1.1
97.02894	1.1
97.06503	1.5
97.10168	2.1
98.98463	100.0
99.08099	3.4
103.05458	4.1
105.04543	1.1
105.07030	5.8
106.06567	11.1
107.04971	2.6
107.08579	10.1
109.02849	1.4
109.06522	2.9
109.10166	13.9
111.04472	0.9
111.08083	6.1
111.11718	2.4
112.47222	0.8
115.05441	3.5
116.03446	2.6
116.99497	3.5
117.07025	2.1
119.04952	1.6
119.08558	5.2
120.04454	5.2
121.06500	3.1
121.10149	5.7
122.03654	3.7
122.09656	1.3
123.04427	1.3
123.11705	7.8
125.06044	1.3
125.09564	0.8
129.07040	1.7
131.04915	4.7
131.08574	1.2
133.02863	1.0
133.06517	4.7
133.08667	1.0
133.10121	1.6
135.08051	1.3
135.11690	5.2
137.05969	45.0
137.09615	7.9
137.13237	3.6
138.05453	2.0
138.06380	1.7
142.05046	1.9
143.04910	2.8
145.06447	1.6
146.03658	1.2
147.04404	1.8
147.08041	1.4
147.11694	2.3
149.05984	3.7
149.13242	4.4
151.03897	6.6
151.07510	2.5
152.06100	1.0
153.12695	2.4
155.14290	1.7
159.04437	1.3
160.05200	1.5
161.05986	3.0
161.13249	1.6
163.03906	7.3
163.07529	6.7
163.14801	2.0
165.05542	2.0
165.07007	1.9
165.09084	4.7
165.12778	1.6
166.05028	3.2
167.08565	1.1
168.06573	4.8
169.06390	1.3
171.04443	1.8
173.02367	2.9
173.06064	2.0
174.99203	12.3
175.03899	1.1
175.07541	5.9
177.05452	1.7
177.16324	1.0
178.07681	2.1
179.08604	2.6
181.06514	2.6
181.08717	0.9
183.08055	1.2
185.06075	1.4
187.03906	1.1
187.07532	3.5
189.05522	1.5
189.07014	4.3
191.17949	0.9
194.08113	12.8
195.08080	1.8
196.09737	1.6
197.05974	2.6
199.03850	1.4
199.07616	1.6
201.05426	2.1
201.14871	0.9
203.06953	2.0
205.06526	1.2
206.07034	4.7
207.08052	5.2
209.05998	1.1
209.09636	1.4
211.07552	2.1
213.05437	1.9
213.09090	0.9
217.04707	1.3
217.06488	2.4
218.07286	1.5
221.06139	1.3
221.09752	1.7
223.07532	2.8
224.08261	1.3
225.09103	1.4
229.04926	2.0
234.06763	8.6
235.07483	7.3
236.09201	5.1
237.05542	1.1
237.09024	2.2
239.07094	1.3
239.10680	7.1
240.07843	3.8
241.08525	1.7
243.06535	0.8
245.06171	0.9
249.09106	11.7
250.06206	0.9
251.07016	1.4
252.07768	2.5
253.08557	2.6
262.06229	3.7
263.06952	3.2
264.08575	1.9
265.08511	3.5
266.09280	1.9
267.10205	7.3
268.07236	3.2
268.11816	1.9
269.07959	1.6
273.18341	1.0
277.08569	25.2
278.09128	3.6
280.07211	1.1
281.08279	1.4
281.11688	2.1
282.08633	2.1
283.09622	7.7
284.10397	1.9
285.11035	1.2
291.19379	2.0
291.26807	1.4
294.08899	2.2
295.09671	7.6
296.11301	25.2
297.11292	1.8
299.12717	4.0
309.11221	8.5
309.14548	1.6
309.27856	2.4
310.11667	1.2
312.09875	1.2
327.12238	25.7
327.15860	5.8
328.12836	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	327.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.0
55.01876	2.2
55.05509	5.4
57.03460	1.0
57.07067	2.2
57.16776	0.5
59.04985	0.9
65.03937	0.9
67.05504	12.1
69.03429	3.2
69.07066	10.0
70.02915	0.6
71.04984	1.8
71.08633	1.2
71.51076	1.2
79.05500	7.7
80.05021	2.3
81.03413	16.5
81.07055	18.6
83.04974	1.3
83.08609	3.5
85.02935	1.3
85.06527	3.0
85.64544	0.5
89.03883	0.5
91.05476	9.6
93.07037	9.9
94.04180	1.1
94.06548	0.6
95.04961	4.7
95.08608	13.3
95.09187	1.1
95.54905	0.5
96.04482	1.2
97.02890	1.0
97.06522	1.5
97.10155	1.4
98.98463	100.0
99.04452	1.3
99.08086	2.1
100.11228	1.4
103.05467	6.5
104.05801	0.7
105.03343	0.5
105.07013	4.4
106.06552	6.8
107.04950	3.3
107.08595	4.7
108.04482	0.7
109.02898	2.9
109.06508	1.7
109.10157	13.2
110.06001	0.7
111.04427	1.5
111.08101	3.7
111.11686	0.6
115.05447	2.8
116.03471	1.6
116.99479	2.9
117.07036	1.9
118.06466	0.6
119.04900	3.2
119.08553	4.1
120.04456	4.2
121.02872	1.4
121.06492	3.8
121.10133	4.0
122.03633	2.6
122.06070	0.9
123.04446	3.2
123.11726	4.3
125.05989	1.0
127.03912	1.6
128.06212	1.3
129.06958	1.3
131.04930	8.0
131.08511	1.2
133.02924	1.7
133.06491	7.3
133.10106	1.1
135.04402	0.7
135.08029	3.0
135.11684	2.6
137.05971	33.6
137.09605	13.0
137.13206	2.9
138.05469	1.4
138.06332	1.4
139.03893	1.1
140.01091	1.3
142.04953	1.0
143.04929	1.8
143.08604	1.3
145.06474	3.3
145.10149	0.7
147.04451	2.8
147.08052	1.9
147.11679	1.2
148.07553	1.0
149.05974	2.6
149.09660	0.7
149.13257	1.6
151.03900	9.8
151.05025	0.8
151.07538	5.1
151.14838	0.6
152.06148	0.9
153.05492	1.1
153.06975	2.2
153.12769	1.1
154.07585	0.7
155.10664	1.1
155.14287	0.8
156.13812	0.6
157.06464	1.3
159.04372	1.1
159.08014	0.9
160.05193	1.0
161.02246	0.6
161.05969	3.1
161.13264	0.7
162.06648	1.0
163.03905	7.3
163.07550	12.8
163.14835	0.9
164.07050	2.4
165.05475	1.7
165.06998	4.7
165.09097	8.6
165.12750	0.9
166.05000	2.3
166.07645	0.8
167.08516	1.5
168.06601	3.1
169.06496	1.7
171.04301	1.1
171.08026	1.4
172.05095	0.6
173.02307	2.4
173.05981	2.1
174.06718	0.5
174.99223	12.5
175.03836	0.9
175.07571	4.6
177.05460	1.4
177.09106	1.6
178.07669	4.5
178.44566	0.6
179.08508	3.2
181.06450	4.6
182.07150	1.9
183.08022	0.8
185.05977	1.1
187.03860	1.6
187.07520	2.1
188.08342	1.3
189.05469	1.2
189.06985	3.9
189.08794	0.9
189.81284	0.5
191.08450	1.2
191.69975	0.6
192.05566	0.8
193.06427	1.6
193.10129	0.9
194.08267	7.3
195.07841	2.6
196.05237	0.9
196.09727	1.1
197.05960	2.3
197.09531	1.0
198.06700	0.6
199.03992	3.1
199.07503	1.5
201.05363	1.1
202.07726	1.3
203.06902	1.0
203.10631	3.0
205.04855	0.6
205.06476	2.5
206.07338	3.8
207.08069	6.9
207.11861	0.6
209.06015	1.5
209.09584	1.2
210.06708	3.4
210.14886	0.9
211.07451	2.9
211.11125	0.9
213.05402	1.1
213.09000	1.3
215.06946	0.7
217.04770	1.2
217.06509	1.7
218.07353	0.9
219.07988	1.6
220.05212	1.0
220.08699	0.7
221.05981	4.0
221.09616	3.1
222.06659	1.6
223.07533	4.5
224.08247	4.5
225.05405	2.7
225.09010	2.5
227.07094	1.2
233.05844	1.3
234.06760	6.0
235.07504	8.1
235.11206	0.9
236.08949	2.8
237.05447	1.6
237.09053	3.1
238.06190	2.6
238.09853	1.1
239.06941	2.5
239.10657	7.3
240.07770	1.8
241.04811	0.7
241.08624	1.3
245.05942	0.7
247.07408	2.0
248.08234	1.0
249.05353	1.2
249.09085	9.0
250.06172	1.2
250.09612	1.2
251.00053	1.3
251.06909	3.2
251.10757	0.7
252.07782	4.9
253.08597	5.4
253.12366	1.1
253.93538	0.6
254.09195	1.1
257.08038	0.8
262.06180	2.4
263.06943	2.4
263.10587	1.4
264.08218	0.8
265.08636	2.8
266.05685	4.0
266.09213	2.2
267.06418	1.7
267.10068	7.3
268.07440	2.7
268.11969	2.7
269.08020	1.4
269.11600	0.9
277.05411	0.7
277.08563	13.5
278.09033	2.1
279.06451	2.4
280.07135	1.3
281.07990	6.0
281.11615	2.7
282.08508	1.5
283.09543	5.7
283.12833	1.3
284.10248	1.3
285.11044	0.9
291.10034	1.1
291.26782	1.5
294.08606	0.7
295.05893	1.9
295.09543	13.2
295.13120	1.9
296.11316	17.3
297.07568	1.1
297.11111	1.7
299.12842	5.1
300.12976	0.9
309.07462	3.9
309.11133	5.4
309.27704	1.5
312.09644	1.6
327.08673	1.8
327.12134	28.3
327.15662	4.0
328.12262	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	327.2315
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81541	1.4
51.02382	1.9
53.03947	9.8
53.08841	1.6
55.01854	3.1
55.05495	5.9
57.07061	4.9
59.04998	1.4
62.55275	1.6
65.66968	1.5
67.05498	12.5
69.07058	7.1
70.95810	4.9
77.03927	2.5
79.05488	9.8
81.03381	1.8
81.07050	13.2
85.06560	2.8
91.05470	15.2
93.07036	32.1
95.04961	44.0
95.08600	24.2
97.06521	7.0
98.98460	100.0
103.05471	2.6
105.04516	2.7
105.07027	30.5
107.08597	15.5
109.06506	6.8
109.10112	8.5
115.05384	2.8
116.99506	2.2
117.06992	7.9
119.08574	30.5
121.06512	4.7
121.10132	15.1
123.08028	5.7
123.11725	3.6
128.06192	3.1
129.06995	4.9
130.07771	3.6
131.08539	13.6
133.06441	1.6
133.10130	19.8
135.08044	4.7
135.11687	4.5
137.05983	2.9
142.07785	5.1
143.08589	10.0
144.09338	2.7
145.06538	1.7
145.10109	20.4
147.08035	2.2
147.11697	5.9
149.09578	2.9
151.07498	2.2
152.06198	14.1
153.07005	12.2
154.07822	1.9
155.08554	5.0
156.09378	2.7
157.10106	15.4
158.10921	2.9
159.11714	17.2
161.09607	7.0
161.13274	2.5
163.07582	2.0
163.14836	2.0
168.05736	5.8
169.06339	2.0
169.10123	6.7
171.08037	4.5
171.11702	7.2
173.13254	7.2
174.99171	13.7
175.14780	8.1
179.06082	1.8
179.08598	2.3
181.10124	3.5
182.10904	2.1
183.11705	5.5
185.09682	1.8
185.13297	3.4
187.11246	3.2
187.14854	6.9
195.11780	3.3
196.12494	2.6
197.13229	5.2
199.14838	4.5
201.16316	2.1
203.10683	2.3
209.13228	4.4
211.14851	3.0
215.02643	2.6
215.14339	1.5
217.15907	3.7
218.16458	1.6
225.16350	2.4
228.09389	5.5
229.09981	1.8
233.03598	15.4
235.14790	2.3
251.04703	6.8
253.15878	2.1
291.20966	2.0
308.55087	1.6
309.22214	4.4
327.07816	57.1
327.23093	10.8
328.08231	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	327.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.0
55.01868	1.4
55.05500	3.7
57.03438	1.3
57.07052	2.3
65.03910	1.1
67.05508	7.3
69.07069	4.1
70.14608	3.7
71.04990	0.8
79.05486	6.0
81.03400	1.5
81.07054	9.1
83.04967	1.2
83.08606	1.5
85.06542	1.6
91.05486	11.0
93.07046	21.6
95.04966	20.1
95.08613	14.4
97.06541	5.1
98.98467	100.0
103.05473	4.1
105.07037	20.5
107.04971	1.1
107.08591	11.0
109.06534	5.1
109.10146	7.8
109.88228	0.8
115.05466	1.3
116.99491	2.7
117.07041	4.4
119.04953	0.8
119.08585	18.4
121.06496	5.8
121.10135	7.8
123.08067	3.3
123.11677	2.7
128.06221	2.9
129.06970	2.6
130.07791	1.2
131.04988	0.9
131.08597	6.7
133.10136	13.9
135.08046	3.3
135.11696	3.6
137.05980	5.0
137.09622	1.4
141.06963	1.3
142.07748	2.5
143.08574	8.8
144.09306	1.3
145.06433	1.1
145.10130	12.8
147.11671	5.0
149.09579	1.7
151.07562	3.6
155.08546	2.5
156.09309	2.7
157.10120	7.5
158.10841	1.8
159.08031	1.2
159.11679	10.2
161.09624	3.3
161.13249	1.2
163.07463	2.3
163.11195	0.9
168.09279	1.3
169.10103	4.5
170.10802	1.2
171.08032	2.6
171.11658	5.1
172.12404	1.2
173.05812	0.9
173.09622	1.2
173.13234	4.0
174.99234	10.2
175.11267	1.1
175.14839	6.1
181.10095	1.6
182.10831	1.1
183.11673	4.6
185.13243	2.8
187.11156	2.3
187.14807	4.4
188.08255	1.8
189.16365	1.6
195.11678	2.0
197.13260	3.4
199.14841	2.5
201.16426	1.4
203.10631	4.3
207.11729	1.3
209.13287	2.4
211.14804	3.8
213.16411	1.8
217.15839	1.5
220.12537	1.1
225.16402	1.4
227.14291	1.1
235.14803	2.0
250.99957	1.4
253.15868	1.5
265.19519	1.1
281.22525	1.0
309.22177	1.2
324.01038	1.0
327.07895	2.5
327.15775	2.7
327.23151	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	327.2163
Annotation	2,3-Dinor-8-iso prostaglandin F2alpha
Peak:m/z	Relative Intensity
53.03936	1.7
55.01866	2.8
55.05509	15.7
57.03422	1.6
63.43246	0.8
67.05502	8.5
69.03441	2.0
69.07058	5.2
70.41721	1.7
70.42133	2.4
71.05013	1.0
77.53996	0.9
79.05498	8.3
80.13828	1.0
81.03408	4.8
81.07053	13.0
83.04990	2.8
83.08621	9.5
85.06513	0.9
91.05489	5.4
93.07036	4.8
95.04969	3.1
95.08609	5.9
97.06546	5.3
97.10162	18.1
98.98465	100.0
99.08078	1.6
105.07037	5.5
107.04945	1.5
107.08577	6.2
107.28495	0.8
109.06516	1.6
109.10145	2.1
110.70917	0.9
111.04417	1.2
111.08047	1.4
116.99506	3.0
117.07014	1.5
119.04911	1.0
119.08604	2.5
121.06522	1.1
121.10146	2.2
123.08049	7.6
125.09637	15.4
129.07033	1.0
131.04903	1.3
131.08527	1.3
133.06470	1.4
133.10120	2.1
135.08067	2.3
135.11743	1.5
137.05974	3.6
137.09592	1.5
139.11147	1.8
143.08585	1.2
144.05724	0.9
145.06459	1.2
147.04465	2.1
147.08142	1.3
149.05998	1.1
149.09584	1.0
153.09138	1.4
157.10130	1.1
161.05962	2.6
161.69908	0.8
163.03972	1.9
163.07469	1.2
163.11217	2.7
165.09094	1.6
169.06537	1.0
171.10147	1.1
171.11589	1.0
173.05931	1.1
174.99248	11.5
175.07574	1.3
177.05492	2.9
179.08606	0.9
181.06618	0.9
189.05489	3.7
189.11209	23.1
190.11707	1.1
191.10393	0.9
193.12219	1.3
203.07028	1.6
211.13249	1.7
226.72871	0.9
235.07471	0.9
237.14990	1.3
239.10590	1.1
251.00066	1.7
255.17467	0.9
267.10040	1.1
273.18466	2.8
277.08624	1.7
283.13312	1.6
291.19528	14.2
292.19623	1.0
295.09448	1.2
309.20630	6.4
327.08841	1.0
327.12180	3.8
327.15939	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	327.1587
Annotation	Gingerenone C
Peak:m/z	Relative Intensity
51.23946	0.7
52.14418	0.6
53.03947	0.9
54.70340	0.6
55.01856	1.6
55.05512	3.0
56.05840	0.7
60.51658	0.5
65.03923	0.8
67.05503	1.7
69.03415	1.3
69.53032	1.7
69.53466	3.1
70.06600	0.8
77.03892	0.7
79.05491	3.7
81.03403	2.4
81.07039	2.6
83.04936	0.9
83.08604	1.7
84.08938	0.7
85.02899	0.8
86.69376	0.6
87.85814	0.6
91.05475	4.7
93.07040	1.9
94.04179	2.7
94.06599	0.7
95.04955	1.8
95.08614	1.1
95.61541	0.6
98.98460	50.8
100.07626	0.9
100.11245	10.2
101.11594	4.3
103.04807	1.2
103.05462	19.8
105.03410	0.9
105.07030	9.5
106.06593	0.8
107.04969	4.2
109.02860	1.4
109.06498	3.0
109.10111	1.5
111.04441	2.0
115.05446	3.5
116.99477	1.5
117.07001	2.5
119.04916	2.3
120.05768	0.8
120.08137	0.7
121.06506	7.3
122.03645	8.1
123.04423	1.9
123.08048	1.3
127.03886	1.0
128.06221	1.3
129.07008	1.2
131.04919	23.9
133.02846	2.2
133.06487	36.6
134.06783	0.9
135.04483	1.1
135.08038	13.2
136.05238	0.7
137.05968	100.0
137.09592	2.8
138.06302	2.4
143.04907	1.8
143.08571	1.4
145.06464	10.3
147.04387	1.9
147.08031	2.2
149.06024	3.2
151.03876	1.0
151.07529	11.5
157.06508	2.8
160.05148	0.8
161.05917	1.2
162.06709	1.2
163.07532	60.3
164.07872	1.6
165.05533	0.9
165.06944	0.7
165.09155	3.6
167.07022	2.2
171.08044	1.8
173.05989	2.6
174.99210	6.3
175.07541	4.3
177.09088	3.2
178.07756	1.1
179.08626	1.5
182.15419	1.9
183.15717	2.4
187.07536	0.9
189.07007	1.7
189.09079	2.1
202.07800	1.3
203.06906	0.7
203.10603	3.0
205.06798	1.1
206.07301	2.2
207.08083	2.6
210.14906	1.2
210.16736	0.9
211.15195	1.8
217.06526	0.7
219.07982	1.0
220.08879	1.0
221.09615	0.8
223.07797	2.0
224.08342	0.7
234.06764	2.1
235.07535	2.6
235.11218	2.7
236.09123	0.8
237.09285	0.8
239.10464	0.7
245.09628	1.2
249.09116	3.3
250.99838	0.8
251.07100	1.2
252.07860	1.0
253.08606	1.0
263.07114	1.5
263.10660	3.8
265.08578	0.9
267.10272	5.4
277.08563	4.7
281.08334	0.9
283.09659	1.8
294.08664	0.8
295.09668	3.6
295.13318	10.1
296.11203	1.6
296.75092	0.6
299.12781	1.7
309.11179	2.3
309.14487	0.7
310.12103	0.7
312.13556	0.7
327.08475	0.9
327.12286	8.5
327.15955	8.7
327.28305	16.4
328.12527	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.6
55.01869	1.5
55.05500	0.9
62.72559	0.5
65.03930	0.7
65.54015	0.6
66.04704	0.9
67.05504	4.9
69.03422	2.2
69.07067	1.9
69.72996	0.5
70.77036	1.8
71.04999	1.0
71.26592	0.6
79.05499	4.0
81.03421	7.3
81.03888	0.9
81.07059	6.0
85.02936	0.8
89.74648	0.5
91.05479	7.0
93.07022	3.1
94.04176	2.7
95.04961	2.3
95.08622	2.8
97.06543	0.8
98.98463	85.7
99.04444	0.8
99.08057	0.6
103.05466	17.3
103.06156	1.0
105.03410	0.7
105.07027	8.7
107.04926	3.8
107.08578	1.0
109.02883	2.5
109.06528	3.6
109.10151	6.2
111.04465	1.0
115.05461	3.4
116.99487	2.7
117.07017	2.7
119.04972	1.1
119.08565	1.6
121.06509	6.1
121.10103	0.8
122.03654	7.1
123.04422	1.3
123.08070	1.1
125.05964	0.7
127.03870	1.2
128.06194	1.3
129.07039	1.5
131.04926	19.9
131.08591	0.6
133.02870	1.8
133.06488	26.7
135.04347	0.6
135.08055	9.1
136.05191	1.1
137.05974	100.0
137.09579	7.9
138.06284	2.0
141.06982	0.9
143.04932	3.6
145.06470	5.8
147.04404	1.7
147.08028	2.6
149.06007	2.8
149.13214	0.7
151.03917	5.7
151.05017	1.0
151.07542	11.5
152.06226	0.7
153.05537	0.8
155.10710	0.6
157.06485	2.4
159.04410	1.2
159.08032	0.7
160.05263	1.5
161.05949	2.2
163.03880	2.2
163.07536	46.2
164.07864	0.8
165.05446	2.2
165.06931	1.5
165.09103	7.0
167.08588	0.7
169.06516	0.7
171.04469	1.1
171.08035	1.9
173.05975	1.7
174.06741	0.7
174.99232	12.2
175.07527	8.1
177.05498	1.2
177.09093	1.7
178.07707	2.9
179.08565	3.0
181.06462	2.2
187.07585	1.2
188.08261	0.9
189.06995	4.4
189.09045	2.2
193.06531	1.1
193.10153	0.6
194.07231	2.2
195.08034	1.2
196.08829	0.9
197.05956	0.9
199.03845	1.2
203.07047	2.5
203.10698	1.7
205.06523	1.7
206.07272	5.9
207.08069	4.9
207.11562	0.6
211.07547	0.7
217.06523	2.8
217.24820	0.7
218.07236	1.9
219.08028	1.9
220.08838	1.5
221.05917	0.6
221.09576	1.1
222.06737	1.0
223.07466	1.9
224.08301	2.5
225.05574	1.1
225.09200	1.6
227.07033	0.9
234.06734	12.6
235.07547	6.2
235.11200	1.7
236.08095	0.8
237.08994	2.7
238.09857	0.9
239.10609	3.5
240.07794	2.2
241.08545	0.8
245.05690	1.0
245.09618	0.9
246.06770	0.6
247.07518	1.2
248.08154	1.2
249.09094	13.8
250.06129	0.6
250.09592	0.9
250.99940	1.4
251.07062	1.8
252.07814	2.2
253.04874	0.8
253.08522	2.3
255.06403	0.6
262.06216	4.4
263.07016	2.1
263.10648	3.5
265.08603	2.6
266.09271	1.6
267.10123	7.2
267.13528	1.1
268.07404	2.8
268.10406	0.6
269.08041	2.0
271.09518	0.8
277.08588	36.2
278.08997	2.7
279.06485	0.8
281.08206	1.1
281.11700	2.1
283.09656	6.0
283.12878	1.0
284.10324	2.1
285.11090	1.2
294.08771	1.6
295.09610	8.2
295.13251	6.9
296.10449	1.6
296.59521	0.6
297.07950	0.8
297.11121	3.2
299.12729	5.5
309.11197	9.7
312.09885	1.4
327.08627	0.9
327.12198	25.2
327.15833	7.9
328.12527	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1227
Annotation	Egonol
Peak:m/z	Relative Intensity
50.00302	0.9
53.03928	2.5
55.01858	2.3
55.05506	2.0
62.68979	0.9
65.03914	2.3
67.05508	9.0
69.03420	1.6
69.07072	7.8
71.35845	1.1
79.05495	6.0
81.03422	23.4
81.07065	10.1
85.02869	1.2
91.05488	11.0
93.03412	1.5
93.07036	7.4
94.04199	2.3
95.04961	2.8
95.08610	7.3
96.02141	1.1
97.10137	1.9
98.98471	100.0
103.05454	4.1
105.03321	0.8
105.07011	2.8
107.04940	3.7
107.08577	2.4
109.02877	2.7
109.06478	1.7
109.10169	9.2
111.04462	6.0
115.05435	3.8
116.99482	3.7
117.07040	2.1
119.04874	1.0
119.08560	4.2
121.02891	5.1
121.06505	1.6
122.03683	5.1
123.04388	1.5
123.11690	2.7
127.03982	0.9
128.06151	1.2
129.06967	1.7
131.04915	5.0
133.02844	2.9
133.06450	3.4
135.04366	1.2
135.07993	1.6
137.05981	56.7
137.09607	11.1
139.03857	3.6
140.01067	0.9
141.06981	1.1
143.04909	3.5
145.06494	3.7
147.04457	1.4
147.08020	1.9
148.08795	2.8
149.05994	2.8
149.13232	1.8
151.03932	7.3
151.05031	1.4
151.07520	3.2
151.14920	1.2
152.06189	1.5
153.05409	1.3
153.06979	1.8
155.08618	1.0
157.06462	1.2
159.04475	1.7
159.08127	1.5
161.05946	3.3
163.03896	8.5
163.07544	8.7
165.05602	1.1
165.06967	3.4
165.09088	6.1
166.07758	1.0
167.08580	2.0
169.06464	2.7
171.04378	1.7
171.08035	1.4
173.02368	2.7
173.05894	1.1
174.99203	11.7
175.07613	5.2
177.05478	1.8
177.06924	1.7
177.16367	1.1
178.07764	4.0
179.08575	4.9
181.06476	5.1
182.07237	2.2
183.07999	2.9
185.05853	0.9
187.03889	2.2
187.07579	3.1
188.08337	2.9
189.05417	1.2
189.07013	7.8
189.08847	1.6
190.07898	1.0
191.06976	3.6
191.08510	1.1
192.89368	1.0
193.06500	1.7
193.10081	1.7
194.07257	2.6
195.08063	4.9
196.08736	1.5
197.05959	3.0
197.09729	1.0
198.06754	1.4
199.03853	2.4
199.07503	1.4
199.79478	0.9
202.07758	1.4
203.06989	2.2
205.06470	3.7
206.07271	8.6
207.08064	6.3
208.08856	1.1
209.05957	2.6
209.09740	0.9
210.06766	4.3
211.07515	3.2
212.08340	1.2
213.05505	2.2
213.08995	1.6
216.90253	1.0
217.06485	5.0
218.07283	3.9
219.08109	3.1
221.06010	1.4
221.09637	3.8
222.06728	1.1
222.10297	1.2
223.07516	6.1
224.08276	3.5
225.05449	3.0
225.09058	3.7
226.06184	2.2
227.06976	1.6
233.06163	1.1
234.04404	1.0
234.06766	20.4
235.07574	7.0
236.08231	1.4
237.09116	3.5
238.06203	2.2
238.09868	4.0
239.07091	6.3
239.10658	12.9
240.07784	9.2
241.08470	2.4
243.06552	3.8
245.05933	1.6
246.06839	1.0
249.09122	29.2
250.09512	1.2
250.99998	2.0
251.07060	4.0
252.07762	3.4
253.04980	1.2
253.08586	12.8
253.12259	3.0
254.09267	1.4
255.10162	1.4
262.06262	7.3
263.06946	3.1
265.08502	3.8
266.09332	3.9
267.06549	2.7
267.10132	14.7
268.07309	6.1
268.10040	0.9
269.08109	6.1
269.87897	1.0
271.13058	1.2
277.08600	54.1
278.09213	3.7
279.06711	1.5
281.08084	4.6
281.11761	4.7
282.08826	1.0
283.09689	9.9
284.10416	3.4
286.08542	1.5
294.08905	2.1
295.06281	1.8
295.09628	11.3
295.13062	1.3
296.10480	3.6
297.07901	1.5
297.11206	3.1
299.09076	2.6
299.12753	11.4
309.11185	17.6
312.09909	1.9
320.36111	1.1
327.12238	69.2
328.12567	1.9
339.54324	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.9
57.03431	0.9
61.01142	1.6
67.05499	2.1
69.03419	1.7
69.21301	8.0
77.30277	0.8
79.05478	3.2
81.03400	1.8
81.07050	2.7
84.08154	0.8
85.02914	1.8
87.02684	2.1
91.05483	4.5
93.06965	0.7
94.04188	2.7
95.04964	3.1
95.08593	1.8
98.98464	75.3
100.06406	0.7
101.28451	0.7
103.05463	11.2
105.07024	6.5
107.04930	3.5
108.08125	1.1
109.02884	1.1
109.06522	2.6
109.10122	1.8
115.05447	2.8
116.99518	1.8
117.07017	1.9
119.04955	1.6
121.06505	2.6
122.03651	7.8
122.08287	0.7
123.04478	0.9
125.06021	0.8
129.06958	1.1
131.04916	13.8
133.03186	6.8
133.06491	18.8
135.04399	1.3
135.08038	6.3
137.05975	100.0
137.09560	4.0
139.03841	1.8
143.04910	4.5
143.08492	1.3
145.06480	5.0
146.03618	0.7
147.04474	1.3
147.08058	2.0
149.05966	1.9
151.03900	5.1
151.07552	7.5
153.05515	0.8
157.06511	2.3
159.04315	0.9
160.05162	1.6
161.05981	3.2
163.03754	1.0
163.07538	29.3
165.05473	2.7
165.07129	0.8
165.09135	2.9
167.07030	1.2
169.79434	0.8
171.04494	1.4
171.08078	1.7
173.06027	1.1
174.99240	10.4
175.07550	6.6
177.05490	1.7
177.06882	0.8
177.09114	1.8
178.07742	1.7
179.08618	2.2
181.06392	0.7
182.07190	0.9
187.07594	2.0
188.08380	0.7
189.07013	4.7
189.08932	1.1
191.06827	0.8
193.06520	1.1
195.08060	0.9
196.09790	1.1
197.06093	0.8
197.10005	0.9
202.07809	0.9
203.07059	3.2
203.10637	1.8
205.06639	3.7
206.07257	4.5
207.08107	2.9
216.80988	0.8
217.06442	2.2
218.07228	1.4
223.07869	2.7
224.08357	1.8
225.09184	2.1
234.06760	11.3
235.07610	3.1
235.11232	1.3
235.15318	2.6
237.09137	2.0
239.10822	1.4
240.07864	3.2
245.05942	1.0
245.09668	1.5
248.08221	0.9
249.09111	11.8
250.06204	0.8
250.99919	1.6
251.06958	1.8
252.07893	1.1
253.08777	2.7
262.06204	5.0
263.06998	1.7
263.10773	1.7
265.08609	3.0
266.09467	1.5
267.10342	7.4
268.07410	3.7
269.08069	0.9
275.52054	0.8
277.08591	38.3
278.09128	1.1
281.08072	1.1
283.09650	7.9
284.10507	1.2
285.11475	1.4
294.08994	1.0
295.06061	2.5
295.09680	7.0
295.13345	5.3
296.10712	0.8
297.11111	2.8
299.12692	5.3
309.11230	9.5
327.12280	13.8
327.15823	6.0
328.12418	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	326.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
59.32182	0.9
69.03425	0.8
70.46161	1.2
71.01351	0.9
85.02901	6.8
87.04440	3.2
91.05486	1.4
98.98466	25.6
103.03951	5.0
107.04975	1.2
108.08114	1.2
115.05444	3.1
117.05733	0.7
118.06534	3.3
129.32059	0.7
131.03398	50.1
132.08067	0.8
142.06479	2.2
143.07320	1.1
144.08067	1.6
146.06018	7.6
157.88817	0.7
160.07568	3.3
164.07082	3.0
166.08623	1.5
172.07478	0.7
174.99205	3.6
178.08635	13.3
183.49156	0.7
188.07104	4.2
190.08504	0.9
194.11745	4.8
196.09688	45.0
197.10063	1.0
204.10164	2.8
206.08084	0.8
208.63417	0.7
216.06546	16.3
222.11200	2.3
234.07607	7.0
248.09177	32.9
251.00237	1.0
252.12384	5.0
266.10226	100.0
267.10571	1.6
287.05960	0.9
294.13498	0.8
320.94550	0.8
326.12314	61.9
326.15625	3.1
327.12543	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0674
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.5
53.05922	0.4
53.55828	0.4
53.57228	0.4
55.01870	2.1
55.05507	0.7
56.96303	0.6
56.96562	7.6
57.03433	5.7
58.03756	0.6
58.86698	0.5
59.05011	0.7
61.02919	3.2
69.03431	8.1
70.02951	2.9
70.06588	1.4
70.57348	1.5
70.98131	1.0
71.01339	1.2
71.04993	1.1
71.95258	0.6
72.08136	0.5
73.02926	2.2
77.01594	0.6
79.05485	1.0
81.03415	3.2
83.04969	0.4
84.04532	0.5
84.08148	1.3
84.96024	0.7
85.02905	33.2
86.03238	6.2
86.09702	1.3
87.04469	2.0
88.99163	0.5
91.03935	0.8
91.05473	2.0
92.05810	0.9
93.07035	0.7
95.04948	0.7
97.02896	7.0
98.97593	7.4
98.98464	100.0
99.04445	1.2
101.00871	2.9
103.05424	0.7
105.07043	0.6
107.04939	0.8
109.02893	1.4
110.97578	0.4
113.00871	2.3
113.02433	0.6
115.00726	0.4
115.03947	0.7
116.98617	6.5
116.99506	3.3
117.78280	0.5
118.06538	1.0
119.01918	14.5
119.04965	2.2
119.06883	1.2
120.05265	0.6
120.08100	0.7
121.01653	0.5
121.06500	0.8
123.04451	0.4
127.03914	3.2
128.98590	2.8
131.01907	11.9
131.03421	1.1
131.04945	0.5
132.96599	1.4
133.01718	0.5
133.03516	1.0
134.99644	4.1
136.03914	0.7
136.07555	0.9
137.02977	4.3
137.05981	8.6
137.07869	0.6
138.06342	0.9
140.01083	1.0
142.03519	0.7
143.01895	1.5
145.03435	1.7
145.04964	1.7
145.07588	0.7
146.05989	3.8
146.99677	1.9
147.01274	0.6
147.04396	2.8
147.06340	5.0
148.03874	1.6
149.01163	0.9
149.02957	2.0
149.05988	0.8
150.97650	0.5
151.37318	0.5
152.05707	0.8
154.03528	0.6
155.01930	4.2
156.97493	1.6
157.03493	4.1
158.98244	1.1
158.99695	1.3
161.01437	0.9
161.02948	7.1
163.07526	0.7
164.07059	5.9
165.00691	1.0
165.05504	1.0
165.07455	2.3
167.01945	0.9
167.07047	5.1
170.99651	0.7
171.02533	7.6
172.94333	1.1
173.02936	9.9
174.97672	2.7
174.99220	13.5
175.04582	3.2
175.05919	0.6
175.07802	0.5
176.99251	1.4
177.00874	2.5
177.05591	0.8
178.08649	5.9
179.07167	1.3
179.08955	11.6
182.08238	0.5
183.14729	0.4
184.04599	1.1
185.02936	7.4
185.06555	0.7
188.99184	1.1
189.03566	40.4
190.03755	1.1
190.53131	0.5
190.95386	2.2
191.00800	1.0
191.04025	1.3
192.98709	4.1
193.00182	0.5
193.07208	1.5
193.98811	0.5
195.02556	2.5
195.04146	0.5
195.54121	0.5
196.04597	0.8
196.09680	7.5
197.02917	0.6
197.04744	0.5
197.10034	13.6
197.90172	0.5
198.98576	0.5
199.04500	1.5
200.04054	0.5
201.00829	1.0
203.04056	1.4
203.10695	0.7
205.05554	0.7
207.00314	3.3
207.02507	1.8
208.04887	7.0
208.55055	1.0
208.96454	1.1
211.04510	1.1
212.05196	1.8
213.03569	23.3
213.94583	0.6
214.03775	0.6
214.95413	1.0
215.04010	2.2
216.98833	1.6
217.05530	0.7
219.01945	4.0
220.02013	0.6
221.01825	1.1
221.04942	0.9
222.04726	0.5
222.11244	1.0
223.02858	0.7
223.05434	1.8
223.55605	1.0
224.96461	0.6
225.03578	11.0
225.06007	1.4
226.01581	1.2
227.05194	1.5
228.56433	0.9
231.04628	22.5
232.04976	1.1
232.96454	6.3
233.05060	9.0
233.07056	0.7
234.99588	2.4
235.02837	1.3
236.05133	2.1
236.99864	0.8
237.03108	3.2
237.05257	0.9
237.07285	0.8
237.55275	0.6
239.04018	0.7
241.03896	2.2
243.02168	0.8
243.04651	4.5
243.07082	0.6
248.05273	1.0
249.03624	0.7
249.06122	1.5
250.97531	4.2
251.00084	1.6
253.03770	2.3
254.06293	0.8
255.02019	0.9
255.04584	4.3
256.06778	0.7
258.06003	0.4
258.99881	0.8
259.05087	0.7
260.99805	1.7
261.03156	0.8
263.02921	1.7
265.11923	1.2
267.04599	1.6
267.07211	2.8
271.04868	1.1
273.03119	0.8
274.99374	0.9
275.09866	1.0
276.09912	0.7
277.00958	0.5
277.05893	0.9
279.00891	1.8
282.05786	0.7
284.97241	0.8
285.00217	3.0
285.05682	0.6
293.00223	1.0
293.10855	0.8
294.10959	0.6
295.07004	2.5
295.10074	0.7
297.08243	2.1
303.01285	5.9
303.06842	1.5
309.08182	0.6
309.11334	0.8
313.06369	0.6
320.99789	1.8
327.06750	22.5
327.12720	46.9
328.03751	1.0
345.02383	0.8
345.07913	2.9
345.13504	0.8
346.04922	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	326.0567
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93818	1.1
56.95932	1.1
62.20177	1.2
69.45834	10.1
79.23416	1.1
95.04519	1.2
97.02879	10.7
98.97557	2.7
98.98470	18.9
101.00880	7.4
102.00909	1.2
103.00610	1.8
105.85979	1.2
113.03497	10.3
116.98623	2.2
119.01916	55.9
120.01997	9.8
121.01646	11.9
134.99696	2.3
137.02954	23.2
138.03069	5.4
139.02715	4.1
141.51190	1.2
142.03491	15.3
143.03635	2.8
144.03258	4.1
158.99854	2.0
159.06169	1.3
160.04538	7.3
161.04655	1.5
161.80644	1.2
177.00943	28.8
178.01018	11.5
179.00684	9.9
180.00829	1.8
181.00487	2.9
183.06096	2.9
184.06252	3.1
201.00975	1.2
201.07228	4.6
202.07347	2.6
203.00714	1.7
217.04039	3.0
217.99007	1.7
218.03680	1.6
219.01985	26.4
219.03935	2.2
220.02094	10.5
221.01753	23.7
222.01955	4.7
223.01500	28.3
225.00833	1.7
227.95300	1.2
235.00040	2.0
236.00140	8.2
236.99673	2.6
238.95576	4.1
239.46336	1.9
240.95306	2.3
241.99104	2.8
242.95018	1.5
243.01912	10.2
244.02036	1.7
254.01158	3.6
256.96609	34.3
257.96783	13.7
258.96414	21.0
258.99960	3.4
259.96616	4.2
260.00070	15.7
260.96390	6.0
261.00018	5.3
261.03012	100.0
262.03152	30.0
263.02856	6.4
265.99075	1.7
272.94589	3.0
273.94846	2.5
274.94458	3.8
274.97723	12.5
275.44092	1.3
275.93787	2.4
275.97739	7.3
276.92050	2.0
276.97418	11.6
277.01077	3.8
277.95261	1.6
278.01114	16.5
278.45496	2.1
279.00812	4.7
279.98239	6.6
280.00876	1.6
283.00021	4.5
283.97134	2.2
284.00098	35.2
284.04657	4.9
284.07043	1.9
284.96939	1.9
284.99808	11.1
290.95718	1.9
293.27750	2.5
293.60867	2.5
294.93231	2.4
299.27826	5.7
299.61212	4.9
299.94498	2.3
300.92065	1.9
300.95209	1.8
301.00931	11.3
301.61465	2.8
302.01147	70.9
302.46198	1.4
302.97192	14.9
303.00882	20.4
303.04700	1.8
303.42480	1.4
304.01315	2.1
305.28391	1.5
305.61545	2.1
305.94696	1.7
306.95078	1.9
308.92938	5.0
309.43185	3.0
310.96088	1.9
311.46085	16.0
311.95898	18.1
312.46085	6.0
314.59912	1.7
314.95663	2.6
315.95703	1.8
316.95496	4.3
317.93237	12.1
318.43350	13.9
318.93085	10.6
319.43033	2.2
320.02289	5.7
320.43561	4.8
320.46622	4.7
320.93619	4.4
320.96603	5.2
321.43481	3.2
321.46823	2.4
322.96964	2.0
323.46832	3.2
325.02759	4.2
326.01477	1.3
326.93893	6.7
327.43854	5.1
327.93814	2.4
329.44174	11.9
329.94244	11.9
330.44174	6.3
330.93631	1.3
337.92667	2.1
340.94791	2.0
344.02139	15.2
345.01974	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	325.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72043	4.3
53.03947	12.9
55.01864	26.0
55.05508	61.0
57.03436	18.6
57.07075	6.9
59.05005	6.4
65.03938	7.5
67.05505	84.7
69.03452	11.4
69.07059	36.4
71.04984	33.0
71.50780	6.5
71.51150	4.8
72.93758	4.5
79.05489	88.3
80.05819	5.9
81.03410	15.2
81.07055	95.0
83.04987	23.3
83.08607	37.1
85.02904	6.3
85.06529	11.4
86.09714	20.6
91.05482	100.0
92.05809	5.4
93.07040	68.9
95.04971	60.7
95.08606	51.1
97.02901	10.0
97.06535	51.9
97.10174	40.7
103.05469	65.8
104.05788	13.2
105.07027	70.8
107.04951	52.6
107.08587	49.3
109.06526	40.6
109.10165	60.1
111.04472	5.6
111.08085	12.8
113.06049	6.0
115.05431	14.6
115.07597	5.4
115.82631	4.9
117.07018	31.2
118.06540	13.7
119.04955	17.5
119.08580	61.2
121.06483	26.1
121.10126	28.3
123.04430	13.7
123.08063	24.0
123.11710	8.4
125.06019	8.4
125.09620	31.8
128.06259	26.8
129.07010	18.8
131.04939	43.1
131.08553	27.6
132.05283	7.7
133.06523	10.3
133.10133	44.5
135.04402	76.3
135.08078	22.6
135.11676	14.5
137.05957	22.6
137.09607	77.9
138.10387	8.1
139.07538	7.6
141.06952	7.4
143.08548	47.7
144.08044	5.8
145.06514	28.5
145.10124	29.7
146.06003	17.7
147.08060	14.1
147.11703	19.1
149.05997	52.3
149.09613	16.2
151.07600	11.1
151.11203	16.4
152.11533	8.6
153.09099	5.7
155.08562	16.5
157.06523	6.4
157.10118	14.2
159.08095	18.9
159.11710	13.8
161.05937	31.1
161.09564	6.3
163.03877	16.6
163.07526	19.1
163.11177	6.9
165.09146	15.5
165.12669	8.1
171.08070	42.6
171.11676	9.1
173.05972	9.9
173.09647	8.0
173.13214	7.2
175.07506	10.1
177.09193	8.1
179.08609	7.5
181.10049	7.8
183.11691	7.7
185.09552	5.5
187.07529	10.5
187.14748	7.4
188.06984	13.1
188.08351	53.9
189.11226	19.9
193.12184	7.3
195.11696	10.2
197.13257	9.7
199.03915	4.9
201.09201	7.2
203.10658	63.1
207.11607	4.6
215.14322	6.7
233.15462	7.3
239.12785	9.5
249.18494	6.6
253.15723	7.5
257.10126	10.9
257.18973	11.6
263.10544	6.0
263.16483	10.5
271.17041	13.4
275.20084	72.6
277.21494	5.7
279.11185	8.3
281.08160	8.9
289.17920	33.8
293.21207	7.3
296.10437	8.6
307.19080	28.0
307.22595	18.6
325.10825	9.6
325.14661	61.7
325.21429	16.4
326.06561	5.0
326.14682	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	325.2372
Annotation	Dihydromonacolin L acid
Peak:m/z	Relative Intensity
50.78878	1.8
53.03950	2.5
55.01859	6.8
55.05507	18.0
57.07064	5.3
65.03944	2.0
66.63750	1.9
67.05510	19.8
69.03426	8.0
69.07069	18.9
69.86212	12.0
71.04987	4.1
71.08621	19.3
79.05493	17.5
81.07061	35.3
83.04970	6.8
83.08623	9.9
85.02916	2.2
85.06526	3.8
91.05473	17.5
93.07037	19.3
93.77463	1.8
95.04980	20.2
95.08604	25.5
97.06523	8.2
97.10190	5.7
99.08088	22.8
103.05469	14.5
105.07048	16.1
105.71486	2.2
107.04958	5.6
107.08598	16.5
109.06521	25.6
109.10137	11.8
111.04432	5.8
111.08072	2.3
117.07020	6.5
119.04974	2.5
119.08607	11.7
121.06506	11.1
121.10155	10.7
123.08041	5.4
123.11707	4.6
125.09621	6.0
128.06219	6.1
131.04939	9.5
131.08568	8.3
133.10147	8.3
135.04411	25.7
135.08069	6.5
135.11687	6.3
137.05968	3.7
137.09581	5.5
139.07570	2.0
139.11162	7.1
143.08589	12.4
145.06514	5.8
145.10080	5.8
147.11649	4.4
149.05992	14.6
149.09607	7.4
149.13235	3.6
155.08562	2.4
159.11639	3.9
161.05969	8.4
161.13284	2.3
163.07556	6.4
163.11157	8.3
163.14729	2.6
165.11424	3.4
165.12755	50.1
171.08064	12.7
175.07510	2.8
177.09145	4.1
177.12772	5.3
181.12170	2.4
181.15863	15.0
187.07544	4.0
187.14885	2.7
188.08307	22.1
189.11235	2.9
191.14322	3.3
197.13148	2.9
203.10637	19.4
223.13257	7.5
235.11414	2.7
251.16550	5.3
251.23553	2.6
261.22260	19.7
271.20450	2.8
275.20004	6.9
279.23209	3.8
281.08084	4.6
289.21625	38.6
293.11774	2.6
293.21140	10.1
296.10376	3.3
307.22668	100.0
308.22900	4.0
325.14368	14.1
325.32037	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2371
Annotation	Annosquamosin G
Peak:m/z	Relative Intensity
51.47337	2.0
53.03934	3.8
54.06114	2.6
55.01862	2.7
55.05506	20.6
57.03430	6.8
57.07077	21.3
61.16017	2.3
61.45772	2.1
61.64645	2.0
65.15765	2.3
67.05502	95.4
67.78729	2.0
67.89363	2.1
69.03385	2.8
69.07060	15.5
70.06599	4.6
70.25273	9.1
71.04980	7.5
71.08638	4.4
71.10500	2.5
79.05493	70.1
81.07052	100.0
83.04969	4.1
83.08620	13.9
85.06526	6.5
88.07613	4.7
91.04490	2.1
91.05476	35.8
93.07042	86.8
94.07364	2.7
95.04962	8.3
95.08604	67.5
97.06523	6.0
97.10191	3.5
98.01857	2.2
99.08087	10.4
103.05473	10.7
105.07014	28.3
107.04929	3.6
107.08591	50.6
109.06527	4.6
109.10146	40.1
111.08086	4.3
113.09653	9.4
117.06991	16.8
119.04942	5.2
119.08567	20.3
121.06436	2.7
121.10141	54.9
123.11684	28.6
125.09615	3.9
128.06245	3.2
131.04924	3.9
131.08560	24.4
131.55658	2.2
133.10144	25.4
135.04385	17.6
135.11690	63.3
137.05972	4.8
137.09544	2.6
137.13231	8.7
139.11172	3.7
143.08569	8.3
145.06479	2.9
145.10124	22.2
147.11667	21.6
149.02321	12.3
149.05959	12.2
149.13266	25.7
151.11160	2.3
157.10210	3.6
159.08109	2.7
159.11673	24.1
161.05992	5.8
161.13306	5.5
163.07535	3.5
163.11220	3.8
163.14809	4.8
171.08043	6.4
173.13229	17.2
177.12788	4.5
187.07474	2.6
187.14792	6.2
188.08282	13.8
189.16328	3.1
193.04967	24.9
194.05370	3.0
203.10632	13.3
205.15833	2.6
205.19511	15.3
210.64114	4.6
215.17958	57.3
225.71826	2.2
228.23221	2.6
233.13861	2.3
233.18996	80.7
234.19217	3.1
251.20090	3.7
271.75049	2.3
281.07971	3.3
307.22665	5.3
325.14313	11.3
325.22845	6.6
325.26651	34.1
325.76266	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	325.2008
Annotation	Albocycline M-7
Peak:m/z	Relative Intensity
53.03939	10.1
53.86959	3.7
55.01869	19.5
55.05511	78.9
56.92218	3.3
56.96561	8.5
57.03442	35.7
58.06580	4.9
65.03941	5.0
67.05511	80.7
69.03423	12.0
69.07072	31.7
69.44022	31.1
71.04990	20.3
79.05499	66.0
81.03413	11.4
81.07055	68.8
83.04987	15.5
83.08625	39.2
84.08146	4.5
85.02903	4.7
85.06534	7.7
85.90649	3.9
86.09692	7.1
91.05479	52.6
93.07050	43.1
94.04198	3.3
95.01327	9.0
95.04970	45.4
95.08619	27.4
97.06511	34.8
97.10175	51.3
97.10779	4.5
98.09695	8.3
98.21466	7.6
103.05480	11.9
103.66797	3.0
105.07024	34.7
106.07327	4.4
107.04957	29.2
107.08584	39.6
109.06510	32.6
109.10166	32.1
111.04425	7.5
111.08107	5.1
113.05978	5.4
115.05453	4.0
117.07014	21.5
119.04978	4.3
119.08598	35.7
121.06499	22.2
121.10124	12.4
123.04420	4.1
123.08079	17.5
125.06033	5.5
125.09643	36.9
127.07573	3.3
128.06236	9.0
129.06960	8.6
131.04939	9.8
131.08560	11.3
133.06496	10.2
133.10100	19.0
134.89966	3.7
135.03542	3.1
135.04398	18.0
135.08069	37.0
135.11687	7.6
137.05968	8.0
137.09610	26.0
139.07607	4.1
141.07045	5.0
142.07841	4.4
143.08598	18.6
145.06494	11.7
145.10149	13.0
147.08066	9.5
147.11720	12.4
149.05984	12.4
149.09666	9.5
151.07471	5.4
151.11127	4.7
153.09053	5.6
155.08537	6.0
157.10126	11.6
159.08060	99.5
159.11696	7.8
161.05911	6.7
161.09593	10.1
163.03897	3.7
163.07549	19.8
163.11192	8.0
169.10205	5.7
171.08017	11.2
171.11728	5.2
173.09616	8.2
173.13185	4.0
175.07581	4.4
175.11172	7.5
177.09106	9.2
183.08051	4.0
185.06097	3.5
185.09633	12.1
187.14870	4.5
188.08334	15.1
189.11217	34.0
189.12749	6.2
193.12206	4.7
199.11304	4.4
201.09056	5.2
203.10583	17.4
211.11096	6.7
215.14339	7.4
223.14554	6.2
229.08679	6.7
233.15346	16.2
237.14859	9.6
243.17490	4.5
253.15930	20.6
255.09158	9.9
261.18506	11.1
271.16898	39.5
273.10175	5.6
275.20020	8.8
289.14658	5.2
289.17950	100.0
296.10187	3.6
307.19009	72.3
307.22394	7.6
325.10602	10.1
325.14371	25.1
325.20358	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	325.2008
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69094	1.0
53.03945	7.8
55.01856	4.3
55.05514	14.3
57.03441	9.2
57.07056	1.9
65.03943	1.7
67.05502	27.5
67.95374	1.1
69.03423	2.5
69.07064	9.0
70.76846	3.0
71.01329	1.4
71.04994	11.3
73.06557	1.3
79.05020	1.5
79.05492	47.4
81.03416	13.0
81.07054	100.0
83.04981	14.4
83.08608	5.4
85.06525	1.7
91.05474	20.6
93.06484	2.1
93.07048	30.2
95.04964	12.0
95.08001	1.5
95.08604	26.6
97.02827	1.0
97.06517	3.9
97.10145	4.1
103.05475	8.0
105.07037	15.6
107.04939	9.4
107.08589	11.8
109.06516	52.2
109.10187	5.7
111.04400	1.5
111.08075	12.0
115.05483	1.5
115.35979	1.1
117.07020	7.2
119.04903	1.4
119.08594	10.1
121.06506	5.2
121.10145	18.5
123.04422	1.7
123.08082	13.4
123.11696	1.7
125.09637	3.7
128.06206	5.4
129.07054	2.6
131.04926	4.9
131.08595	8.5
133.06506	3.6
133.10147	10.5
135.04405	11.2
135.08031	5.5
135.11685	3.4
137.05968	4.3
137.09619	2.9
139.07513	3.7
139.11159	4.4
141.06961	2.4
141.09126	4.6
143.08568	7.2
145.06450	3.9
145.10085	6.1
147.07996	3.3
147.11652	3.2
149.05971	7.9
149.09639	6.0
151.07515	2.5
151.11143	3.5
153.09102	1.7
154.07729	1.3
155.08533	2.1
157.10126	1.7
159.08061	4.1
159.11676	3.0
159.52606	1.1
161.05991	4.8
161.09587	6.2
163.07542	4.6
163.11142	2.4
165.09140	1.2
167.10674	6.6
169.10103	3.1
171.08086	6.3
171.11633	1.6
173.09612	2.7
175.11270	1.2
177.09105	1.4
177.12791	2.7
179.10661	3.8
183.11632	1.7
185.13318	1.2
187.11168	2.9
188.08318	7.8
189.12717	1.6
193.12207	1.5
197.11679	1.3
201.09109	1.3
203.10706	8.3
207.13881	2.7
219.13760	1.5
225.16451	2.0
233.15405	1.8
237.14841	2.2
243.17406	2.4
253.15788	1.8
256.31302	1.3
261.18509	11.0
271.16910	9.3
289.17960	23.5
307.18988	3.3
307.22693	1.7
325.10959	1.9
325.14316	8.9
325.20001	25.9
326.14886	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2005
Annotation	Hynapene A
Peak:m/z	Relative Intensity
53.03928	5.5
55.01862	8.7
55.05512	18.0
57.03437	13.1
65.03946	3.5
67.05503	44.9
69.03418	4.4
69.07074	16.3
70.77091	4.5
71.04987	9.1
79.05492	45.5
81.03403	7.1
81.07053	97.0
83.04974	10.1
83.08601	7.5
85.06520	7.9
91.05476	32.2
93.07034	29.0
95.04967	14.3
95.08598	23.1
97.02913	2.3
97.06527	100.0
97.10161	5.9
99.08086	4.5
101.13879	1.8
103.05442	2.9
105.07027	27.1
107.04946	7.6
107.08581	19.3
109.06510	53.2
109.10155	25.9
111.04430	3.8
111.08078	16.0
113.05974	9.4
115.05426	2.6
117.06976	5.3
119.08560	10.9
121.06501	7.0
121.10157	14.6
123.04415	2.1
123.08060	9.8
123.11649	4.3
125.09613	5.8
128.06148	2.5
129.06963	2.7
131.08546	7.6
133.06534	3.9
133.10132	31.6
133.71355	1.8
135.04419	3.4
135.08022	9.7
135.85945	2.0
137.05952	4.3
137.09587	5.8
139.07492	4.7
139.11162	2.9
141.09064	2.7
143.08556	4.2
145.06490	3.0
145.10114	3.0
147.08046	2.6
147.11705	3.2
149.05930	2.7
149.09639	5.6
151.07454	2.3
151.11201	16.5
155.08513	2.6
155.52002	1.8
159.07997	3.5
159.11630	3.2
161.09599	5.4
163.07547	4.2
163.11134	2.3
167.10658	5.9
169.12187	3.5
171.08115	2.3
171.11696	1.9
173.09663	4.1
177.09097	3.1
179.10579	3.0
183.10182	3.8
185.09593	2.3
187.11101	2.7
189.11255	3.9
203.10628	2.4
211.13200	2.8
215.17744	2.0
221.11760	2.7
235.13258	2.0
243.17369	3.9
246.48698	2.0
253.15952	2.7
261.18481	8.0
263.16422	2.8
271.16901	6.6
289.17944	25.1
293.11581	1.9
307.18912	13.2
325.14383	3.6
325.20105	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	325.2006
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.0
55.01872	5.8
55.05503	9.4
57.03433	6.1
65.03934	2.1
67.05503	34.1
69.03422	3.1
69.07059	16.1
69.41204	1.6
69.94164	9.9
70.43252	1.7
71.04988	6.0
79.05486	18.8
81.03407	4.1
81.07054	28.8
83.04974	7.5
83.08598	2.9
85.06556	4.8
86.52552	1.6
91.05475	23.1
93.07035	16.6
95.04971	11.6
95.08614	12.9
97.06524	100.0
97.10146	2.4
99.04453	2.0
99.08126	3.1
103.05501	2.6
105.07027	20.1
107.04962	4.7
107.08598	15.0
109.06503	8.1
109.10153	28.4
111.04445	2.3
111.08070	6.9
113.06012	9.1
117.07018	3.8
119.08574	6.5
121.06511	3.6
121.10184	4.1
123.08042	3.9
123.11690	2.4
125.09612	3.4
127.07596	1.9
128.06242	1.8
128.29457	1.7
128.59160	1.9
131.08572	3.7
133.10129	30.3
135.04437	3.5
135.08046	2.5
135.11685	4.3
137.06059	2.0
143.08546	2.2
145.10101	3.8
147.11673	2.5
149.06032	2.7
149.09622	2.0
151.11188	17.2
153.09026	1.8
157.10121	2.3
159.08049	2.9
159.11708	2.8
161.09590	2.2
163.07576	2.6
168.46153	1.8
169.12282	3.5
171.08067	1.8
174.98882	2.0
175.11063	1.8
177.09167	2.0
193.12146	1.6
203.10684	2.1
211.13219	2.6
241.14366	1.8
243.17371	2.4
261.18610	4.2
271.16919	3.7
289.17963	18.6
293.47095	1.9
307.19067	12.2
325.14392	4.4
325.20062	5.0
341.27078	1.7
348.19229	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2008
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01887	2.2
52.68169	2.0
53.03922	3.3
55.01870	29.8
55.05512	44.6
57.03208	1.8
57.03431	17.5
57.07053	3.9
60.10353	2.1
65.03915	2.6
67.05506	67.5
69.03421	5.9
69.07076	13.2
70.11538	12.4
79.05496	58.6
80.06270	2.3
81.03428	12.1
81.07055	71.9
83.04992	17.8
83.08624	18.9
85.06537	4.8
91.05476	50.1
93.07039	43.8
95.04391	4.0
95.04970	79.1
95.08601	32.5
97.02843	2.8
97.06511	4.3
97.10175	26.5
98.13154	2.5
103.05408	3.5
104.66365	2.7
105.07038	27.0
107.04955	45.8
107.08586	25.8
108.05717	3.2
109.06519	47.9
109.10164	39.6
111.04412	7.9
111.08067	5.9
112.05206	4.1
115.05473	5.5
117.07030	19.1
117.35809	2.1
119.04955	2.7
119.08578	21.9
121.06499	10.4
121.10124	11.5
121.12090	2.2
122.07285	27.3
123.04429	4.5
123.08069	6.6
125.09630	18.0
125.10408	3.3
128.06198	5.6
129.06996	5.4
131.04930	2.7
131.08551	14.0
133.06497	11.7
133.10132	8.2
135.04399	2.9
135.08023	11.7
135.11685	7.2
137.09618	100.0
143.08533	7.6
145.06477	9.7
145.10089	10.8
147.08054	16.9
147.11696	6.2
149.09550	3.1
149.13266	4.0
151.07544	3.1
153.09109	3.2
159.07996	3.1
159.11668	4.1
161.09572	11.9
161.13266	3.4
162.10307	3.2
163.11162	4.9
165.09091	3.7
169.09990	2.8
171.11700	3.4
173.13202	6.1
177.09036	2.6
187.14937	3.1
189.11247	8.9
189.12799	3.3
203.10551	3.3
203.14201	2.7
205.15903	4.9
215.14336	4.6
215.17897	3.1
217.16035	3.6
233.15388	30.6
233.18924	4.7
243.13712	3.1
251.16400	5.2
261.14847	4.7
273.18280	4.9
290.18719	11.0
291.19586	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	325.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	3.4
55.01860	4.8
55.05512	22.0
57.03424	3.0
58.67799	1.5
67.05503	29.2
69.03423	2.5
69.07059	14.4
69.22691	9.2
69.23118	6.8
70.10519	1.7
71.04981	3.2
79.05497	19.3
81.07049	25.5
82.28332	1.8
83.04983	1.8
83.08614	10.4
85.02880	1.7
91.05476	33.7
93.06514	2.1
93.07030	13.4
95.04942	4.5
95.08594	14.4
97.06521	6.8
97.10165	6.2
98.00234	1.6
99.08055	1.4
103.05469	9.8
105.07029	22.7
107.04916	4.9
107.08572	8.7
109.06481	3.0
109.10142	8.3
111.08079	3.8
115.05431	13.6
116.06219	3.3
117.06999	15.3
119.08599	9.3
121.06422	2.2
121.10129	4.4
123.08057	5.3
123.11682	2.1
125.09590	4.1
128.06209	26.3
129.07004	57.9
131.04893	6.0
131.08568	13.5
133.06447	6.2
133.10110	7.0
135.04384	6.9
135.08037	4.0
135.11703	1.8
137.05965	2.3
137.09506	2.6
139.03897	2.3
141.06993	51.2
142.07803	9.7
143.04912	3.3
143.08557	22.7
144.05682	2.6
145.06500	12.4
145.10135	5.2
147.04404	1.9
147.08000	2.7
147.11679	4.5
149.05974	4.7
149.09625	3.5
151.07489	3.0
151.11188	2.9
152.06210	6.5
153.06975	20.9
154.07776	24.2
155.06006	2.9
155.08553	48.4
156.09163	1.9
157.06485	42.7
157.10107	13.5
158.07191	2.7
159.08060	17.0
159.11693	2.7
161.05968	9.2
163.03856	2.7
163.07582	2.6
165.06995	17.8
166.07767	13.4
167.08560	34.9
168.05730	1.8
168.09265	6.5
169.06494	20.2
169.10130	51.8
170.07248	3.0
171.08070	14.2
171.11641	3.7
173.05960	5.5
173.09537	3.8
175.07495	6.2
178.07721	5.7
179.08560	11.9
180.09241	3.0
181.06509	4.4
181.10123	31.0
182.07220	2.2
183.08052	12.9
183.11659	10.8
185.05989	27.2
185.09596	17.2
187.07542	28.2
187.11154	2.3
188.08228	3.1
189.11165	2.6
191.08505	5.5
192.09315	3.3
193.10121	9.5
194.07283	2.0
195.08054	23.3
195.11795	8.8
196.08655	2.4
197.09602	22.7
199.03816	1.7
199.07523	5.1
199.11121	3.9
201.05350	1.9
201.09103	3.2
203.10593	5.3
205.10071	5.1
207.08015	2.8
207.11649	6.2
209.09610	16.5
209.13089	2.4
211.07556	3.9
211.11166	8.0
213.05571	2.8
213.09093	30.9
219.11707	4.4
219.93869	1.8
221.09604	2.3
222.06795	2.0
223.07658	1.6
223.11182	7.2
225.09023	6.9
227.10641	7.8
229.12019	2.4
233.13293	2.4
237.09102	3.4
241.12103	2.6
245.13319	2.0
246.90636	1.9
251.10660	2.5
251.17836	2.3
261.13791	1.7
261.16217	8.5
263.16449	4.7
265.15671	2.1
269.15448	1.9
269.18976	3.6
279.17386	14.3
289.15598	7.8
297.15137	2.1
297.18466	29.9
307.16840	27.4
320.21191	1.9
325.10666	4.3
325.14426	7.7
325.17914	100.0
326.18237	4.0
343.18790	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	325.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.5
56.05036	4.0
56.17545	0.3
56.96569	0.6
57.03427	1.6
57.07072	1.2
61.02905	0.6
67.05505	4.6
69.03429	0.6
69.07062	1.8
70.74499	0.5
70.74854	1.1
71.01347	0.5
74.02446	0.7
76.49960	0.4
81.03439	0.5
82.06588	0.5
84.08141	100.0
85.02903	15.7
85.06538	2.5
85.08469	1.2
86.09707	10.5
91.05476	1.3
93.07024	0.5
95.04958	0.8
96.02212	0.3
97.02888	0.9
98.97595	0.8
103.05473	0.4
108.08135	0.4
109.02836	0.4
112.07591	0.5
113.02354	0.5
117.05759	0.5
118.06516	3.2
119.04971	0.4
128.98654	0.4
130.04993	0.5
130.08638	18.9
131.03381	0.4
131.05031	0.3
134.09648	0.7
135.04414	0.7
136.07619	1.0
137.06009	0.5
145.07591	4.6
145.31406	0.4
146.04832	0.8
146.05998	12.3
163.08707	2.4
164.07063	3.8
166.05046	0.5
177.00804	0.6
178.08627	23.4
180.06596	0.4
181.07295	0.5
188.08424	0.5
196.09691	59.9
197.10027	1.3
203.10727	0.5
219.01831	0.4
222.11201	0.6
237.02789	0.3
280.15463	9.4
281.15604	0.4
281.18475	0.5
282.02502	0.4
325.14096	3.6
325.17548	51.5
326.12308	22.8
326.17752	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	325.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.9
55.01859	9.7
55.05496	10.3
57.03437	3.9
64.24767	3.6
64.71996	3.3
67.05491	13.5
69.03420	3.7
69.07048	12.8
69.45640	3.8
71.51113	3.2
71.51524	5.7
76.97446	3.3
79.05475	17.0
81.07056	20.2
83.04960	6.3
83.08626	4.0
85.02808	4.1
91.05472	19.8
93.07042	21.4
95.04948	29.8
95.08611	6.6
97.06522	11.0
97.10109	4.2
101.50653	4.6
103.05466	13.3
105.03342	5.8
105.07024	20.5
107.04954	100.0
107.08541	7.4
109.02901	5.2
109.06525	18.7
109.10154	5.7
115.05444	5.5
117.06992	13.4
121.02822	8.4
121.06471	11.6
123.04415	6.5
123.08008	5.0
128.06200	5.0
131.04941	6.9
131.08574	10.6
133.06491	8.7
135.04395	14.8
135.08116	4.9
137.05946	15.6
141.07031	4.2
143.08549	11.2
145.06500	7.6
147.11649	4.4
149.05959	17.9
151.03889	19.5
153.06956	4.6
159.08017	5.8
161.05861	5.4
161.09625	5.4
163.07561	5.6
165.05493	80.8
165.06929	10.3
167.07007	7.7
171.07964	5.1
173.05940	4.3
175.04169	4.4
175.07524	4.0
177.05505	9.6
177.84290	3.7
187.07617	4.6
191.08513	5.5
194.07185	11.3
195.08090	7.2
201.12845	4.8
203.10580	8.4
205.06470	14.5
206.07112	3.8
207.07907	5.1
209.08046	12.0
211.07338	8.3
211.11069	5.1
212.65514	3.7
218.07159	4.5
219.07994	6.4
221.05989	4.9
222.06761	13.8
223.07545	5.9
229.12172	4.5
233.05927	11.6
234.06627	4.0
235.07471	6.0
237.09087	14.6
239.07042	5.7
247.07579	5.1
249.05382	5.5
250.06163	13.2
251.06972	8.0
253.08653	4.6
257.11606	6.6
265.08563	30.1
267.06461	6.6
271.16864	4.6
275.12994	4.0
278.05612	6.2
281.08078	4.5
282.08563	4.9
289.18091	8.4
292.07504	4.3
293.08038	25.9
293.11371	5.7
297.11188	24.2
310.08173	7.4
325.06827	7.8
325.10629	69.5
325.14322	23.1
325.17941	6.9
326.11395	4.4
346.85773	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	325.1432
Annotation	Licarin B
Peak:m/z	Relative Intensity
54.50372	1.0
55.01866	1.2
67.05479	2.8
69.07044	2.8
71.51250	1.1
73.14771	0.8
76.31274	0.8
79.05471	2.6
80.44028	0.7
81.07050	6.2
83.08594	1.1
91.05478	10.9
93.07026	1.9
94.04184	2.3
95.04962	2.0
95.08578	2.2
99.08074	1.0
103.05455	9.7
104.06242	1.5
105.07031	4.7
107.04921	2.3
107.08559	2.7
109.06515	1.2
109.10139	4.2
111.08022	0.8
115.04854	0.8
115.05471	9.7
117.07002	9.5
119.04934	1.0
119.08584	8.3
121.10136	1.9
122.03631	7.9
123.11700	3.2
124.07587	0.9
128.06197	3.8
129.06989	9.9
131.04927	16.2
132.05721	6.5
133.06487	0.8
133.10081	1.1
135.04416	1.5
135.08006	1.3
137.05968	90.1
138.06250	1.1
139.11159	1.9
141.06982	13.2
143.04893	1.4
144.05685	1.2
145.06436	4.2
145.10095	1.4
146.03636	0.9
146.07191	0.9
147.08038	27.0
149.05972	2.3
151.03899	1.1
151.07509	3.3
153.12706	1.0
157.06450	3.3
158.07272	1.6
159.08038	1.3
160.05196	6.3
161.05974	8.1
163.07527	17.5
165.07132	1.6
169.06482	22.0
170.07111	1.2
171.04443	1.0
171.07951	0.9
172.05238	1.1
173.09692	1.2
174.06689	0.9
175.07532	100.0
176.06433	0.9
176.07895	1.5
178.07773	1.0
179.08511	1.1
181.06398	1.0
186.06714	3.1
187.07484	4.5
188.08258	2.4
189.09056	11.8
190.07677	2.6
191.08524	4.2
194.07269	2.9
201.09084	13.7
202.09581	0.8
203.08379	0.9
205.06396	1.6
205.10080	2.2
207.07933	1.3
209.09593	1.4
218.07217	2.7
219.08058	4.9
221.06041	1.6
222.06638	2.5
233.05965	1.4
233.09668	5.7
234.10361	1.0
235.07541	2.6
236.08374	2.0
237.09126	5.2
237.11111	0.8
239.07065	1.0
247.07394	1.2
250.06239	1.9
250.09724	1.6
261.09146	4.9
263.06976	1.3
264.07745	1.6
265.08548	4.1
265.12320	5.7
267.06479	1.7
278.09372	1.3
279.09943	1.0
282.08722	1.1
293.07980	8.4
293.11594	8.0
294.08771	0.9
295.09619	1.7
296.10486	1.3
297.11203	9.2
307.26315	1.9
310.08167	1.4
310.11758	1.9
325.10593	13.1
325.14249	71.1
326.11185	1.1
326.14655	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.5
55.01876	2.3
56.05015	0.4
57.03435	3.3
59.04997	0.4
61.02896	0.9
65.48845	0.4
67.05492	0.4
69.03427	16.0
70.96202	0.9
71.01341	0.8
71.04988	5.1
73.02882	0.8
75.04451	0.4
77.03902	0.3
79.05457	0.9
81.03413	16.5
81.07038	0.5
83.04949	0.5
84.08138	3.1
85.02908	2.4
86.93536	0.3
87.04430	0.5
88.32921	0.3
91.05463	2.2
94.04115	0.3
95.04947	0.6
99.03873	0.4
99.04452	6.0
103.05472	1.8
105.07005	0.3
107.04922	0.7
107.08598	0.5
109.06503	0.9
115.05491	0.3
117.05467	1.7
118.06536	6.4
119.04910	0.3
122.03600	0.9
130.04965	0.5
130.08633	0.5
131.04897	2.8
133.06407	0.5
135.04385	0.9
135.08028	0.8
136.05183	0.4
137.05969	7.6
143.08511	0.3
145.06465	0.7
145.07600	7.1
146.06007	0.6
147.09163	8.7
148.06276	0.4
151.03850	0.8
151.06432	0.5
151.07539	4.9
161.07101	0.4
162.07840	1.1
163.03860	0.6
163.07523	5.1
163.08693	0.7
164.07039	0.7
173.07106	12.4
175.08708	6.6
178.08633	2.2
187.07414	0.4
190.07329	0.4
191.08142	100.0
192.08517	2.0
196.09721	2.4
201.09091	1.2
203.08328	0.7
203.10498	0.4
205.06522	0.5
205.09830	1.2
215.11731	0.4
219.08009	0.4
222.07506	0.4
231.11246	0.4
233.09384	1.7
237.08731	0.3
245.09079	0.3
250.16666	0.3
252.08702	1.1
261.09033	0.9
265.12161	0.7
266.09998	0.6
271.10803	0.4
280.15610	0.4
289.11859	1.6
293.11493	1.4
307.12872	29.2
308.13217	1.0
325.14005	22.5
325.17471	1.2
326.12045	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	325.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58371	0.5
56.05019	1.7
57.03426	1.6
69.03407	1.5
70.96193	1.4
78.52652	0.5
82.18830	0.5
84.04502	16.1
84.08141	2.1
84.17496	0.5
85.02906	27.0
86.06074	0.8
87.04459	1.1
91.05483	0.8
95.01350	3.2
101.94738	0.5
102.05543	14.8
107.04929	0.6
112.03961	2.0
113.02341	1.6
118.06516	1.6
120.62717	0.5
130.05000	98.7
131.05322	0.9
135.04408	1.6
145.02855	1.0
146.06007	10.5
147.76741	0.5
159.91588	0.6
161.05716	0.5
163.03923	4.9
164.07063	3.7
178.08641	26.0
179.09027	0.8
196.09689	100.0
197.10081	0.9
203.10675	1.3
242.79108	0.6
298.63980	0.6
308.11267	3.9
325.13953	20.5
325.17273	1.0
326.12286	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	325.1279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.4
55.01853	3.8
55.05503	15.0
57.03427	10.1
57.07064	5.8
61.02933	3.5
67.05520	18.8
67.05792	3.3
68.78575	3.1
69.03420	38.9
69.07076	17.0
69.36934	30.9
71.01350	3.1
71.04981	12.8
73.02907	12.2
79.05490	27.7
81.03417	7.4
81.07056	42.7
83.04974	15.5
83.08625	6.0
85.02910	15.1
85.06528	3.9
87.04478	5.6
91.05478	26.0
93.07030	22.1
95.04964	33.4
95.08595	39.3
96.04436	3.3
97.02902	7.6
97.06523	10.9
97.10193	5.1
103.05466	17.0
105.07015	19.3
106.08021	3.2
107.04955	16.2
107.08591	36.7
108.76601	3.4
109.02856	4.6
109.06505	12.3
109.10145	25.1
111.08086	15.5
113.06000	17.3
115.05446	11.8
117.07003	8.3
119.04925	6.4
119.08581	16.5
121.06480	11.0
121.10143	22.0
122.03645	4.4
123.08056	9.2
123.11698	15.6
125.09593	4.5
128.06232	8.2
129.06976	8.8
130.05025	4.1
131.04941	29.6
131.08653	3.8
133.06488	4.0
133.10107	9.3
135.04369	16.9
135.08040	24.0
135.11700	14.3
137.05969	100.0
137.09595	9.6
137.13254	6.4
139.11211	3.7
141.06932	8.1
142.07762	5.0
143.04877	6.7
143.08525	6.3
145.06477	13.2
145.10162	5.5
147.04408	14.4
149.05968	18.1
149.13257	12.9
151.03873	5.9
151.07523	28.1
151.11160	10.3
153.05400	3.4
153.09137	5.3
155.08556	4.8
157.06491	5.5
159.08055	5.0
160.05165	4.4
161.05968	14.9
163.03874	10.1
163.07535	44.7
165.06998	9.2
167.07040	18.2
169.06503	6.3
169.12273	3.1
171.08060	9.7
173.05864	6.0
175.07553	25.1
175.14830	11.0
177.05440	12.4
177.09140	7.2
179.07065	11.5
179.08539	4.9
181.06409	4.6
181.10104	5.7
182.07222	4.0
183.08058	8.0
187.07547	7.1
188.08311	7.3
189.09148	9.3
190.07680	4.9
191.07008	14.5
191.08560	7.7
191.14281	5.1
193.15901	12.2
195.06561	3.9
199.07501	6.1
201.09090	9.7
203.08669	4.6
203.10582	5.6
204.06276	4.5
205.06615	6.4
205.08493	5.2
205.10220	8.5
207.08121	4.2
211.07613	6.2
217.08655	7.5
222.07614	4.2
223.11124	5.0
227.07008	3.4
229.08727	7.7
231.68292	3.8
233.06030	3.8
233.09697	8.2
235.07457	4.4
235.16901	20.9
237.09007	6.0
240.08633	3.4
243.10150	4.6
251.10820	5.1
252.08548	5.4
253.08604	3.6
261.09134	9.1
264.07813	4.0
265.08591	8.2
265.12341	8.5
266.10123	17.7
267.10397	4.1
271.16730	4.7
277.18033	6.5
278.09125	4.5
279.10214	8.2
281.11417	3.9
289.18018	8.8
293.08252	6.9
293.11584	13.9
295.26462	3.3
296.10355	4.1
297.11295	10.6
307.09464	7.8
307.26334	5.7
310.11786	5.5
325.10690	25.5
325.14243	42.3
325.18069	5.0
325.20221	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	325.107
Annotation	Vitexdoin C
Peak:m/z	Relative Intensity
53.03934	1.0
55.01863	1.9
55.05505	1.5
57.03444	1.7
65.03946	3.9
67.05503	2.2
68.02644	1.5
69.03418	1.2
69.07055	2.3
79.05481	2.3
81.03402	1.4
81.07062	4.1
83.04958	1.5
85.02910	1.6
90.97726	0.8
91.05482	3.7
93.03413	2.0
93.07020	2.2
95.04968	1.8
95.08587	2.7
96.02102	3.4
97.06538	1.7
103.05473	3.7
105.07039	1.4
107.04954	3.0
107.08574	1.8
109.10167	2.1
111.04433	13.9
111.08076	1.1
115.05459	7.6
116.06292	1.1
117.06991	1.1
119.04929	1.1
119.08585	1.2
121.02873	2.9
121.10162	1.5
123.04426	2.1
127.03821	0.9
128.06184	2.4
129.03529	0.8
129.06996	2.6
131.04919	1.9
133.10141	0.9
135.04408	3.4
135.08058	1.2
137.05962	3.6
139.03888	8.2
139.11174	0.8
141.06955	1.0
143.04922	5.0
143.08530	1.7
144.05737	1.0
145.06467	3.7
147.04416	1.5
149.05957	2.2
151.03873	1.6
151.07520	1.4
152.06236	1.3
153.07040	1.9
155.04916	1.6
155.08521	1.2
157.06520	1.3
158.07298	1.2
159.08023	2.6
161.05981	3.2
161.09674	0.9
163.03908	2.5
163.07492	1.7
164.07242	1.0
165.07007	7.8
166.07768	4.8
167.08577	2.3
169.06451	1.0
171.04440	8.7
171.08060	2.7
173.06007	3.1
175.07581	2.5
176.06226	3.2
177.06982	4.0
178.07742	5.5
179.03386	1.3
179.04916	0.8
179.08589	3.9
181.06433	3.7
183.08104	4.3
185.06030	2.0
186.06761	34.0
187.07489	4.3
188.08334	3.2
189.07031	2.4
190.07803	2.3
191.08537	3.6
193.06476	5.4
194.07268	11.8
195.08018	4.6
196.08499	0.9
197.06007	1.2
198.10385	1.3
201.05396	1.4
202.07750	0.9
203.10683	2.8
204.05681	2.6
205.06491	15.2
206.07285	5.3
207.08092	5.1
208.08839	4.0
209.09610	12.6
211.07570	5.4
213.05408	2.1
218.07204	2.5
219.08035	8.5
220.08826	4.1
221.06004	10.7
222.06740	15.7
223.07605	5.7
223.11064	1.1
224.04422	0.9
225.09067	2.4
226.09898	2.4
233.06021	6.4
233.09686	1.1
234.06700	5.5
235.07530	9.6
236.08318	21.2
237.09093	27.4
238.09860	1.2
239.06990	11.0
240.07587	1.7
241.08658	1.0
247.07487	6.3
248.08322	2.7
249.05455	4.0
249.09221	1.8
250.06238	12.5
251.07039	11.6
251.10663	9.7
253.08421	4.6
254.09370	7.1
255.09953	1.1
261.05380	1.9
263.07022	4.2
264.07831	7.7
265.08600	48.7
265.12503	2.9
266.06613	1.0
266.09268	6.6
267.06534	9.7
267.09317	1.4
268.06955	1.3
269.11713	11.9
275.07123	1.6
277.08591	1.3
278.05734	2.6
278.18878	0.8
279.06631	3.8
279.10196	11.4
281.08109	2.6
282.08820	10.1
283.09402	1.0
291.06500	1.4
292.07230	2.1
293.08087	22.8
293.11417	2.0
294.08823	10.2
295.06110	1.7
295.09448	1.5
296.10443	1.4
297.07846	2.0
297.11221	28.4
298.11652	1.4
307.09756	4.6
310.08237	5.4
325.10721	100.0
325.14166	7.1
326.10956	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	325.1071
Annotation	Vitexdoin C
Peak:m/z	Relative Intensity
51.40580	0.7
55.01862	1.8
55.05504	2.1
65.03945	3.6
67.05495	2.1
67.59286	0.7
68.02631	1.1
69.03426	1.0
69.07052	2.2
70.82125	0.8
71.04984	0.8
79.05486	3.1
79.30946	0.8
81.03416	1.9
81.07067	4.9
83.04980	1.4
83.08627	1.5
85.02907	1.3
91.05472	3.2
93.03412	1.7
93.07048	2.8
95.04961	2.8
95.08596	3.3
96.02100	4.1
97.02930	0.9
97.06499	1.1
98.21541	2.3
103.05464	2.3
105.07004	1.7
107.04948	2.9
107.08589	2.3
109.06522	1.0
109.10152	2.6
111.04443	14.9
111.08098	1.1
113.06037	0.7
115.05470	6.6
116.06239	1.3
117.07006	2.0
119.04983	0.9
119.08611	1.5
121.02904	3.8
121.06483	1.2
121.10142	1.4
122.52369	0.9
123.04423	2.3
123.11694	1.5
127.03975	0.8
127.05395	1.0
128.06265	2.0
129.07016	2.2
131.04944	2.5
133.06555	1.0
133.10109	0.9
135.04408	2.7
135.08000	1.9
137.05965	5.4
137.09595	0.8
139.03911	7.4
139.11134	0.9
143.04955	5.6
143.08644	1.2
144.05681	1.5
145.06509	4.4
147.04510	0.9
149.05986	1.9
151.03903	1.3
151.07573	1.4
152.06252	1.4
153.07031	1.9
154.07745	0.8
155.04880	2.1
155.08571	1.1
157.06506	2.0
158.07283	2.6
159.08064	5.0
161.05968	1.9
163.03918	1.9
163.07564	2.0
165.06998	10.1
166.07825	5.2
167.08461	2.0
169.06467	1.1
171.04431	12.4
171.08113	1.7
173.06013	3.3
175.07558	2.0
176.06210	2.1
177.05643	1.0
177.07018	6.5
178.07726	5.5
179.03419	1.8
179.08531	4.8
181.06483	3.2
182.07156	1.0
183.08073	5.5
185.05991	2.7
186.06764	31.5
187.07495	5.0
188.08308	1.4
189.07014	2.9
189.08807	0.8
190.07780	4.9
191.08589	5.3
193.06467	7.3
194.07266	13.1
195.08051	4.0
197.09634	2.5
201.05408	1.2
202.07846	1.0
203.10721	2.4
204.05751	2.1
205.06491	18.2
206.07272	8.1
207.08087	5.5
208.08765	4.3
209.06166	1.0
209.09634	12.2
210.06947	1.0
211.07552	8.0
212.08420	1.0
213.05508	1.9
213.09097	0.8
217.06383	1.2
218.07295	3.1
219.08038	8.6
220.08771	3.3
221.05972	11.3
221.09528	1.9
222.06743	17.3
223.07477	7.4
224.04697	1.0
224.08318	1.2
225.09132	2.1
226.06412	1.1
226.09824	1.8
233.05969	7.2
233.09627	1.2
234.06776	6.2
235.07559	8.7
236.08318	21.8
237.09106	28.2
238.09666	2.0
239.07059	11.5
239.10847	0.9
240.07684	1.0
241.08632	0.9
241.12231	1.2
246.06671	1.0
247.07504	9.0
248.08325	3.4
249.05476	4.2
249.09026	1.9
250.06252	13.4
251.07043	14.4
251.10669	7.3
252.07611	1.3
253.08672	5.1
254.09369	8.9
261.05536	1.9
261.09174	1.2
262.06195	2.1
263.07062	4.8
264.07755	9.8
265.08603	53.2
265.12482	2.3
266.06305	1.2
266.09250	9.3
267.06555	10.4
267.09750	1.7
268.07343	1.1
269.11722	12.7
275.07022	1.7
277.05283	0.8
278.05832	4.6
278.08493	0.8
279.06558	3.6
279.10165	11.7
281.08109	2.9
282.08847	10.2
283.09457	1.1
291.06583	0.9
292.07343	2.3
293.08112	27.6
293.11398	1.8
294.08826	12.5
295.06183	1.8
295.09500	2.0
296.10168	1.0
297.07855	1.4
297.11221	27.6
298.11536	2.1
307.09644	4.2
309.07556	1.0
310.08423	5.9
325.10718	100.0
325.14178	7.6
326.11096	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.107
Annotation	Vitexdoin C
Peak:m/z	Relative Intensity
53.03950	1.4
55.01865	1.9
55.05513	1.8
59.04994	2.9
65.03935	1.6
67.05499	3.1
69.03416	2.0
69.07056	2.1
69.73933	4.2
70.06570	0.9
77.03986	0.9
79.05482	2.9
81.03407	2.4
81.07045	2.9
83.08607	1.4
85.02900	3.8
85.06536	1.3
87.04481	5.9
88.04793	1.1
91.05470	6.6
93.07082	0.9
95.04969	3.9
95.08602	1.5
97.02903	0.9
103.05462	4.2
105.03395	2.2
105.07040	2.5
107.04941	4.8
107.08591	2.1
110.03666	2.0
111.04444	1.3
115.05459	9.0
116.06281	1.4
117.07027	3.0
118.06489	1.0
119.04931	2.1
121.02885	1.9
121.06479	1.4
123.04431	1.2
123.11681	1.4
125.06001	2.5
128.06244	2.1
129.06993	2.3
131.04955	6.1
133.02823	1.4
135.04405	7.4
135.08075	3.3
137.05980	7.6
141.06970	3.0
143.04927	2.5
143.08585	1.5
144.05716	2.4
145.06502	8.3
146.05959	1.1
147.04420	2.6
149.02405	1.4
149.05992	3.5
151.03899	2.2
151.07529	1.4
153.05469	2.4
153.07036	3.7
155.08542	1.3
159.08014	1.8
161.05998	3.7
163.03903	1.9
163.07574	3.9
164.07085	5.1
165.07016	11.2
166.07788	5.1
167.08534	1.9
169.06485	2.0
171.04422	5.5
171.08115	3.4
172.05219	4.3
173.06010	1.8
175.03925	1.1
175.07578	5.5
176.06233	2.7
177.07021	3.9
178.07796	3.0
179.08606	4.4
180.09325	1.2
181.06519	4.9
181.10133	3.0
182.07173	1.3
183.08058	2.3
185.05988	1.9
186.06793	1.3
187.07686	1.1
188.08369	3.5
189.06975	7.4
190.07782	11.9
191.08574	18.4
192.08960	1.2
193.06544	3.8
194.07274	14.4
195.08083	4.4
196.09734	1.1
197.05997	1.7
199.07483	1.2
200.04640	5.6
201.05312	1.0
201.07082	1.0
201.09056	1.0
202.07814	3.5
203.10645	4.4
204.05685	1.1
204.06709	0.9
205.06529	11.0
205.10127	2.5
206.07301	2.8
207.08054	6.6
208.08852	2.9
209.06059	1.8
209.09615	6.9
210.06911	1.0
211.07571	2.7
212.63640	1.0
215.06985	10.5
215.08678	1.1
217.06485	1.0
218.07281	8.9
219.08072	24.2
219.93079	0.9
220.08789	2.5
221.05952	9.9
221.09555	0.9
222.06682	15.1
223.07594	4.8
223.11154	0.9
225.05615	2.2
227.07056	1.1
231.08199	1.2
233.06010	4.2
233.09772	2.5
234.06767	3.7
235.07561	9.2
235.15080	0.9
236.04533	0.9
236.08278	6.5
237.09100	37.2
238.09317	1.0
239.07053	5.3
246.06758	1.9
247.07535	13.7
248.08258	2.1
249.05547	4.3
249.09082	2.3
250.06261	13.0
250.10687	3.1
251.07074	9.0
251.10957	15.8
252.08662	3.5
252.46376	1.0
253.08572	1.6
255.06335	1.3
255.10237	2.4
261.05634	1.3
261.09045	1.9
263.06912	4.4
264.07809	9.9
265.08594	28.9
266.09967	6.8
266.13788	1.2
267.06552	11.9
267.14209	3.2
268.07169	1.1
269.11780	2.0
275.07047	3.8
278.05798	2.5
279.06705	5.6
279.09903	5.3
281.08200	2.2
282.08902	4.5
283.09912	1.5
292.07300	2.6
293.08096	54.9
294.08835	5.8
295.05984	1.1
296.10492	1.3
297.11234	51.8
307.09744	4.5
310.08401	4.2
325.10736	100.0
325.14236	9.5
325.18481	7.8
326.11621	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	324.2168
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
53.03943	0.6
55.01875	0.7
55.05507	2.0
57.07088	0.5
57.37518	0.4
65.83731	0.4
67.05502	4.2
69.07067	9.4
71.20389	0.7
79.05482	4.9
81.07050	7.8
83.04982	3.2
86.09702	100.0
87.10027	1.1
91.05473	9.3
93.07034	10.7
95.04979	2.9
95.08599	1.7
97.06535	0.6
98.20829	0.4
99.12448	0.4
103.05454	3.3
105.07029	13.3
106.07413	0.4
107.04913	2.1
107.08594	2.9
108.04469	0.7
109.06500	8.7
109.10185	0.7
111.08083	2.3
117.07014	0.5
119.08597	4.5
121.06546	0.8
121.10137	1.6
123.08071	1.3
123.11688	0.7
124.03963	0.6
128.10715	4.9
129.06923	0.7
131.04921	1.6
131.08571	4.6
132.10194	29.6
133.06473	1.1
133.10118	17.5
135.04416	0.5
137.05908	0.5
137.09729	0.4
147.10515	0.7
147.11684	13.5
149.05928	0.5
149.09622	1.4
149.13278	0.9
151.07573	3.1
151.11171	40.1
152.11555	0.6
156.10201	1.1
157.10115	0.5
165.12769	2.0
174.11270	0.4
175.11148	3.7
193.12202	4.4
210.14867	0.5
222.14865	0.9
256.09671	1.4
260.20081	5.9
278.21130	26.2
279.21365	0.8
306.20547	6.1
324.12250	1.2
324.21649	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	323.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74317	4.6
53.03943	10.5
55.01865	16.1
55.05503	23.7
65.03900	6.7
67.05506	67.5
69.03436	8.5
69.07069	27.6
69.80783	22.1
75.36149	4.2
79.05491	45.7
81.03420	9.6
81.07053	83.5
83.04983	23.3
83.08607	17.8
91.05486	67.4
92.40279	5.2
93.07040	56.1
95.04964	18.1
95.08614	47.9
97.06534	14.8
99.04487	5.0
105.07037	46.7
107.04948	16.6
107.08577	42.6
109.06496	11.9
109.10172	43.2
111.04455	5.9
111.08070	13.0
115.05404	4.9
117.07026	7.3
119.04949	13.9
119.08566	21.1
121.06494	15.8
121.10140	18.7
123.08070	7.4
123.11707	11.7
125.05979	10.8
125.09622	7.8
128.06183	6.3
130.72964	4.7
131.08562	12.6
132.28925	4.8
133.06476	20.9
133.10120	76.6
135.04454	33.8
135.08067	8.5
135.11687	12.4
137.05957	9.9
137.09625	10.7
137.86427	4.6
138.89760	5.8
139.07516	9.0
139.11101	6.8
143.08549	16.6
145.10107	13.2
147.08037	17.8
147.11676	12.1
149.05971	74.3
149.09575	7.5
151.11183	58.6
157.10170	8.9
159.11717	5.6
161.09618	19.4
163.07582	6.1
163.11230	8.3
171.08034	5.7
171.11670	10.0
175.11082	12.3
179.10683	15.7
183.13831	19.8
185.13242	6.4
186.06755	5.6
189.12741	5.7
201.09099	20.5
235.13411	5.5
245.19080	13.6
245.86490	5.5
255.17596	6.8
263.20111	23.4
273.18396	41.5
291.19543	100.0
305.21091	8.1
323.12640	13.0
323.22293	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	323.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45690	1.6
53.03939	5.8
54.73979	1.8
55.01869	22.2
55.05511	49.9
57.03432	9.6
59.04997	3.2
59.21924	1.7
65.03925	3.9
65.66221	1.8
65.69973	1.8
67.05505	50.4
69.03416	8.5
69.07065	26.8
70.11222	9.2
71.04995	4.9
79.05493	47.8
81.03413	17.8
81.07056	100.0
83.04983	20.2
83.08623	26.3
84.08147	2.2
85.02886	2.9
85.06533	4.5
91.05480	32.8
93.06483	3.3
93.07036	37.5
95.04959	24.2
95.08610	35.1
96.28138	1.9
97.06531	21.5
97.10167	35.0
98.20961	2.8
99.04433	2.7
99.08054	4.8
103.05427	2.3
105.07032	26.6
107.04947	12.5
107.08590	28.0
109.06513	10.4
109.10153	14.2
111.04431	14.7
111.08067	10.7
117.07020	12.1
119.04945	7.4
119.08587	22.2
121.06496	8.6
121.10148	11.5
123.04430	4.5
123.08061	44.3
125.05997	2.3
125.09627	34.3
129.06982	6.9
131.08577	12.1
133.06462	3.6
133.10118	8.7
135.04440	24.1
135.08067	12.3
135.08961	2.8
135.11703	13.0
137.05986	4.2
137.09627	17.5
143.08519	6.9
145.10123	14.4
147.08061	11.8
147.11661	8.7
149.05983	45.3
149.09601	8.0
149.13258	5.0
150.06386	2.2
153.09096	6.5
153.12747	7.5
156.09370	2.1
157.10112	5.6
159.08067	2.6
159.11671	7.4
161.09608	3.4
161.13240	2.3
163.07597	4.5
163.11179	55.7
165.09090	12.2
165.12759	2.6
167.10612	2.1
169.10068	4.3
171.08067	4.2
171.11656	2.5
173.09592	3.9
175.11169	6.9
177.12784	5.8
181.12245	10.3
185.13332	2.9
189.11249	5.4
191.10699	7.7
193.12244	18.9
197.13275	2.1
201.09113	9.2
203.11066	2.4
203.12831	8.4
209.11649	2.4
221.11792	2.3
223.13200	3.5
227.12778	10.6
237.16420	4.0
244.36711	2.2
245.18893	3.8
255.17453	5.0
263.20004	2.4
273.18509	32.8
273.21359	3.6
291.19537	82.7
292.19852	3.0
305.17700	3.6
305.21109	14.8
323.05511	3.5
323.12885	8.2
323.18439	4.4
323.22171	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	323.2214
Annotation	4alpha-Hydroxy-18-norgrindelic acid
Peak:m/z	Relative Intensity
53.03922	2.9
55.01852	3.9
55.05281	1.2
55.05510	15.6
57.03429	2.3
57.07052	1.3
59.04977	2.3
65.03925	2.8
67.05502	19.8
69.03408	2.2
69.06725	1.8
69.07067	17.9
69.96530	5.5
71.04977	4.7
71.18635	1.0
79.05491	20.9
81.07053	22.9
83.04965	4.6
83.08618	6.2
84.64104	1.0
85.02896	1.8
85.06537	2.3
91.05477	23.7
93.07040	25.5
95.04970	7.0
95.08594	17.3
97.06537	5.5
97.10156	3.4
103.05470	1.8
105.07025	21.8
107.04955	6.8
107.08582	15.1
109.06519	8.6
109.10147	6.0
111.04413	5.0
111.08070	2.6
113.05995	4.1
116.06148	1.3
117.07005	9.6
119.04932	1.4
119.08572	13.2
121.06506	10.6
121.10132	8.9
123.04396	3.8
123.08049	5.5
125.05972	8.4
125.09639	2.1
126.06734	2.2
128.06256	1.9
129.06981	4.1
131.08548	16.9
133.06468	6.8
133.10109	11.2
135.04413	2.4
135.08041	8.9
135.11687	5.2
137.05960	7.2
137.09563	3.1
139.07506	3.1
143.08585	6.4
145.06476	1.6
145.10121	9.9
147.08049	8.5
147.11659	4.0
149.05956	5.0
149.09595	10.1
151.07556	6.1
151.11205	2.1
155.08549	3.0
157.06459	1.4
157.10101	4.6
159.08083	2.6
159.11649	4.6
161.09624	15.7
161.13245	2.8
163.07518	1.5
163.11171	8.8
165.09059	1.3
167.10623	2.0
169.10172	2.7
171.07977	2.0
171.11673	5.1
173.09586	2.9
173.13368	1.5
175.11154	10.1
177.09143	1.4
177.12714	1.3
183.11652	1.7
185.09656	1.6
185.13213	3.0
187.11284	1.7
189.12689	4.0
191.10661	1.9
191.14227	1.3
193.12047	1.4
199.11218	1.9
199.14713	1.5
201.09103	1.5
203.14296	2.1
207.13805	2.5
213.12653	1.4
221.15416	1.5
227.17906	3.6
237.14656	1.9
245.19026	6.7
247.16907	1.9
249.14905	3.3
255.17422	5.9
259.20514	1.6
263.20117	3.2
269.18854	1.6
273.18457	25.2
273.21307	2.1
277.21576	2.6
279.19403	3.0
287.20041	35.0
291.19537	2.5
305.21085	100.0
306.21405	2.6
323.12671	1.6
323.22214	19.2
323.25726	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	9.3
55.05511	35.2
62.06087	58.6
62.44283	3.7
66.77888	3.7
67.05502	28.0
68.05833	4.8
69.03420	7.6
69.07062	21.4
71.52792	6.4
71.53184	6.2
79.05488	33.0
81.03409	5.6
81.07054	31.9
83.04989	4.8
83.08612	12.6
83.26149	3.6
85.27449	4.1
86.40668	3.7
91.05488	37.6
93.07030	22.7
94.07402	3.4
95.04954	6.2
95.08620	21.8
96.08914	4.3
97.10168	22.5
105.07028	12.0
107.04974	7.2
107.08591	19.9
109.10150	10.2
111.04354	3.3
111.08017	4.3
117.06995	6.2
119.04948	16.2
119.08583	11.9
121.10139	8.0
123.08044	10.1
125.09619	22.6
125.60251	3.5
131.08557	7.1
133.06517	7.5
133.10095	5.8
135.04428	43.8
135.08035	5.1
137.05952	7.6
137.09622	5.1
138.32329	3.3
143.08551	13.3
147.08142	5.8
147.11732	5.6
149.05988	70.5
153.09122	4.7
163.07497	8.5
165.09157	8.7
171.08034	6.3
201.09097	17.9
203.12801	9.7
223.13420	9.7
253.14468	10.7
273.18494	9.5
291.19550	100.0
295.13364	4.1
305.21133	32.0
323.12741	14.2
323.22250	11.0
323.27582	10.4
323.31067	4.6
324.13004	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	323.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.4
55.01869	3.3
55.05512	21.6
57.03409	0.8
59.04988	1.5
59.08052	0.6
64.06782	0.7
65.03907	1.3
67.05505	16.5
69.03411	1.7
69.07074	8.6
69.74340	0.7
71.04995	4.5
73.06557	5.5
79.05493	16.9
81.03381	1.6
81.06615	1.0
81.07054	16.9
81.29545	0.6
83.04989	3.7
83.08617	11.9
85.02901	0.9
85.06508	2.6
91.05484	17.6
93.03368	0.8
93.06503	0.9
93.07043	13.9
94.55031	0.8
95.04968	5.1
95.08606	10.3
97.06527	7.3
97.09665	0.8
97.10178	8.8
105.07039	9.8
107.04942	2.6
107.08590	9.7
109.06528	5.3
109.10132	4.0
111.04454	5.8
111.08067	3.5
113.05988	2.4
115.05460	1.5
117.07026	5.8
119.04984	3.3
119.08572	7.8
121.06503	3.6
121.10185	4.0
123.04453	3.5
123.08044	2.7
123.11688	2.0
125.05991	27.2
125.09631	6.7
128.06163	1.0
129.06978	2.7
131.08580	4.2
133.06505	1.5
133.10126	9.1
135.04417	8.0
135.08075	3.3
135.11687	2.2
137.05980	5.0
137.09598	2.3
139.07541	2.9
141.06915	0.7
142.07751	1.4
143.08554	4.6
143.10611	0.9
145.10133	3.3
147.08014	3.0
147.11638	2.6
149.05978	14.3
149.09587	2.9
149.13263	1.0
151.07529	1.6
151.11163	2.4
153.09097	0.8
153.12770	0.7
157.10139	3.4
159.11652	1.1
161.09586	4.9
163.07553	1.7
163.11194	1.7
165.09210	0.7
171.08008	1.5
171.11687	1.0
173.13237	0.7
175.11177	4.7
177.12666	1.1
179.10619	1.6
185.09618	1.7
189.11230	3.3
189.12689	0.9
193.12268	5.9
201.09134	4.1
203.10735	1.2
207.13789	1.0
221.11603	1.0
223.13269	0.9
227.17847	0.9
235.13287	2.4
239.12843	1.5
245.18819	1.0
253.14355	100.0
254.14645	1.4
261.22125	1.5
263.20267	0.8
273.18536	3.1
291.19397	3.2
294.08685	0.8
305.21146	4.6
323.05704	0.8
323.12924	3.0
323.22177	71.6
323.25122	2.9
324.12857	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31316	2.0
57.66196	2.0
62.70201	2.2
70.11447	9.2
72.00887	2.3
72.18952	2.0
80.34610	2.2
82.68651	1.8
84.08152	2.1
84.38316	2.2
90.20561	1.9
91.05508	3.2
91.98376	1.9
94.06556	5.4
95.04990	2.8
108.08116	17.5
110.06025	6.6
118.06569	6.5
119.07340	7.0
120.08099	6.8
122.06023	2.5
123.06856	3.7
124.07582	12.8
129.13948	2.0
135.04439	6.2
136.07582	100.0
138.09135	2.5
142.08630	13.6
146.05994	4.1
146.08363	2.4
147.06703	2.0
148.07582	7.2
149.06007	10.1
152.07097	3.5
154.08682	4.8
161.07080	2.8
164.07077	43.2
166.08626	2.0
169.58501	2.1
173.10782	3.9
175.72778	2.1
195.09291	2.2
196.11227	2.8
197.10690	3.4
198.11490	2.3
201.10287	5.7
211.08728	2.8
211.12311	2.8
212.09424	2.8
213.10237	4.9
224.10707	4.1
225.10179	5.6
226.11017	9.3
240.08929	2.1
240.12494	4.5
241.09756	3.8
241.13341	22.7
259.07663	2.1
259.14429	27.6
269.12854	42.7
277.15536	2.8
287.13913	46.0
295.19809	2.2
305.14966	89.6
323.05316	2.1
344.44409	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.16
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87695	1.4
53.16666	1.3
55.01867	2.5
56.37668	1.3
67.05484	2.9
69.03425	2.1
69.49004	2.7
69.49422	8.6
79.05489	4.2
81.03408	3.6
81.07043	3.8
84.08139	24.2
91.05479	3.8
93.07008	3.1
94.06567	3.5
97.02876	2.3
98.21579	2.9
106.06551	2.6
107.53207	1.7
108.07430	2.4
108.08110	23.0
109.02919	1.6
110.06020	6.2
115.05496	1.9
118.06553	5.1
119.04951	3.5
119.07276	4.4
120.08124	8.0
122.06013	5.0
124.07577	10.8
130.49788	1.8
132.08081	1.8
134.05914	1.5
135.04413	5.0
136.07573	100.0
138.09081	1.9
142.08653	12.4
146.06007	5.7
146.08408	2.0
147.04431	4.2
147.06805	2.9
148.07539	6.4
149.05968	11.8
152.07103	2.4
154.08592	3.8
161.07085	8.6
162.05504	2.7
164.07080	37.6
165.06987	1.5
166.08655	2.5
173.07129	2.5
173.10692	5.4
174.07860	2.1
175.08708	2.1
185.10683	2.2
191.08232	3.7
196.11310	3.4
197.10750	2.9
198.07784	1.8
198.11555	4.2
201.10391	2.3
211.08632	3.4
211.12370	2.2
212.09378	1.7
213.10223	6.1
213.13861	4.1
221.05951	2.3
223.12363	1.8
224.10794	3.5
225.10202	4.7
226.10976	9.8
228.43204	1.6
240.12669	3.8
241.09660	6.6
241.13322	23.9
254.10506	4.2
259.14413	22.7
269.12845	33.2
270.13330	1.8
277.05032	1.7
277.15411	2.7
287.13867	33.4
291.10095	3.9
295.06036	3.0
305.11383	2.9
305.14923	60.3
323.05322	4.6
323.09390	3.7
323.12503	9.4
323.16287	5.6
324.10678	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1276
Annotation	4''-Deoxyterphenyllin
Peak:m/z	Relative Intensity
55.01867	1.6
55.30890	0.8
67.05492	1.8
67.06583	0.8
69.07074	1.5
69.22887	10.0
71.04963	1.2
79.05489	2.4
81.07046	3.8
81.93362	0.9
87.04469	2.1
91.05466	3.0
91.18711	1.0
93.07028	1.5
94.04185	2.0
95.04953	1.4
103.05492	2.2
105.07016	9.4
107.04997	1.3
109.06521	2.5
109.10152	1.7
115.05456	4.5
122.03646	4.6
128.06204	1.4
131.04999	2.1
133.06477	5.7
135.04411	1.5
137.05972	59.0
146.03622	9.0
146.05997	1.9
147.04366	1.0
149.05952	4.5
151.07571	1.5
161.05977	75.6
162.06561	1.3
163.20795	1.2
164.06972	2.0
165.06987	1.5
166.04689	0.9
167.04962	1.3
171.08044	2.1
175.07552	2.1
177.05426	1.1
178.08652	2.6
184.05217	2.4
185.06123	0.9
189.06984	2.2
189.30504	0.9
191.08563	3.5
191.62146	0.8
192.09270	2.2
193.06429	1.2
199.07544	20.4
202.05867	1.1
202.07751	18.4
202.09538	1.3
203.08542	28.6
204.08987	2.4
205.06491	3.0
207.08090	1.2
215.08554	1.4
218.07347	1.2
219.08093	9.4
220.08798	10.7
221.05977	0.9
221.09573	1.3
230.07426	4.4
231.08044	45.4
232.08788	6.9
233.05974	2.1
233.09521	1.2
235.07491	2.0
235.11201	2.6
237.09038	2.8
243.08081	1.1
245.09628	2.9
247.07533	8.0
248.08302	20.5
249.05414	1.2
249.09079	4.3
250.10687	3.0
258.06738	3.2
259.07526	34.3
260.08295	16.3
261.05417	0.9
261.08920	2.1
262.09912	1.9
263.07083	1.3
263.07623	1.0
263.10672	26.9
264.11783	1.5
265.08560	4.4
273.09082	1.3
274.09689	1.2
275.07037	3.2
276.07800	18.0
277.08588	8.6
279.10291	1.0
280.07401	1.3
280.10934	2.5
290.09384	1.8
291.10144	71.8
292.10828	9.7
293.08078	8.8
295.09531	2.5
295.13297	6.6
305.11353	1.1
307.09772	1.8
308.10446	9.2
317.30148	0.9
323.09439	4.3
323.12741	100.0
324.13187	3.4
324.18015	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	321.9927
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78841	0.3
69.86406	1.0
98.97595	1.3
101.00854	0.4
116.98621	1.2
119.01934	1.9
122.97819	0.3
123.98603	0.3
134.99673	0.6
137.02953	0.5
139.64961	0.3
140.98854	0.3
158.99876	0.9
177.00957	14.4
178.01060	0.7
182.99799	2.1
200.02632	0.3
201.00922	4.3
202.01106	0.4
218.03625	0.5
219.02007	100.0
220.02126	6.2
221.02414	0.6
234.99922	0.3
236.99489	0.6
237.03049	0.5
238.95624	1.0
242.01300	0.5
242.03600	5.9
243.03691	0.4
256.96631	8.3
257.96722	0.8
260.00134	0.4
260.04745	0.3
261.02939	0.4
262.95624	0.5
274.94537	0.5
274.97678	2.7
278.01089	0.3
279.98276	1.1
280.96686	1.5
292.95132	0.4
297.99222	0.4
298.97678	37.6
299.18512	0.3
299.97806	2.4
303.98331	0.3
316.93381	0.5
316.98724	0.7
317.43387	0.5
319.43732	0.5
319.93765	0.4
321.99219	4.2
322.99597	0.5
328.44382	1.4
328.94299	0.7
334.42822	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1276
Annotation	4''-Deoxyterphenyllin
Peak:m/z	Relative Intensity
51.57193	1.1
53.52828	1.3
55.01860	1.4
56.43982	1.2
69.03424	4.7
71.49612	1.4
74.18674	1.3
77.25175	1.4
79.05486	4.7
81.03377	2.2
85.02911	2.4
91.05471	3.7
95.04957	3.2
97.02895	1.7
100.32370	1.5
102.04705	1.7
103.05444	6.7
105.07034	15.1
106.06545	1.8
107.04970	1.6
107.07252	1.4
111.04447	2.2
115.05438	10.7
117.07038	1.9
118.04153	1.6
119.04996	2.4
122.03656	4.2
128.06244	1.6
129.07022	1.6
130.04150	1.4
130.05040	2.3
131.04921	7.2
133.06479	11.3
135.04411	1.9
137.05974	45.1
138.05498	2.7
139.05400	1.3
143.04996	1.6
143.06018	1.5
145.06432	2.1
146.03616	6.2
146.07248	5.2
147.04390	6.1
148.69966	1.5
149.05968	7.1
151.03937	1.8
151.07573	5.5
160.05205	2.9
161.05974	63.0
162.06700	1.6
163.07552	3.9
171.08136	2.3
175.07530	5.5
177.05515	3.2
179.06982	4.0
181.06477	2.2
187.07648	2.0
189.06996	1.6
191.06999	3.1
191.08572	3.0
192.09300	3.7
199.07568	5.7
201.09010	1.7
202.07759	18.6
203.06781	3.5
203.08540	35.6
205.06580	3.3
215.08565	2.5
218.07208	1.6
219.08089	10.3
220.08849	8.6
221.09538	1.9
224.05527	5.2
230.07349	2.4
231.08047	45.4
232.08728	9.7
233.05997	2.9
235.11200	3.0
237.09148	1.5
240.05086	1.6
241.08548	3.7
245.09636	1.7
247.07562	7.9
248.08318	27.0
249.05356	1.6
249.09186	3.3
254.06638	2.2
256.08157	5.5
258.06876	4.5
259.07523	26.6
260.08237	15.1
261.09100	2.4
262.09946	1.7
263.10660	31.9
265.08508	2.0
275.06906	1.8
276.07785	20.0
277.08640	6.1
279.06424	1.9
280.10901	2.7
291.10141	100.0
292.07916	2.2
292.10806	7.9
293.08130	6.1
294.08926	1.5
295.13339	2.6
305.11609	2.5
305.48047	1.3
307.09689	1.6
308.10443	6.3
323.12784	82.9
324.13199	4.5
349.46915	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2423
Annotation	2alpha,9beta-Dihydroxy-3beta,8beta-oxido-1(15)-trinervitene
Peak:m/z	Relative Intensity
55.01870	0.7
55.05511	5.8
57.03434	0.4
57.07064	3.0
60.15482	0.4
65.03963	0.4
65.56187	0.4
67.05505	5.2
69.07063	5.9
69.51575	1.1
69.51990	2.5
71.04993	1.8
71.08625	1.8
71.37286	0.4
77.41182	0.4
79.05490	4.5
81.07054	7.8
83.04982	1.4
83.08614	3.5
85.06540	1.0
91.05495	2.4
93.07047	5.3
95.04983	0.9
95.07991	0.6
95.08607	10.5
97.06539	1.7
97.10204	1.9
98.21472	0.9
99.08098	1.3
105.07017	3.4
107.08592	4.5
109.06516	15.3
109.10156	2.6
111.08049	2.0
117.06993	1.0
119.08579	3.6
121.06505	0.7
121.10126	3.3
122.07264	2.1
123.08067	57.9
123.11686	1.1
124.08425	0.7
125.09562	0.5
131.08563	1.1
133.10136	1.9
135.08066	5.5
135.11682	1.4
137.09602	3.5
137.13167	0.6
139.11171	1.5
145.10124	1.4
147.11708	1.2
147.39606	0.4
149.09598	1.8
149.13284	0.9
159.11745	1.4
161.13268	0.9
163.11172	1.2
177.12767	0.6
179.14307	50.0
180.14688	1.0
185.13309	0.5
187.14832	0.7
193.15892	1.4
205.15912	0.7
247.16985	0.6
261.22308	0.6
265.17975	14.6
279.19781	0.9
303.23190	4.1
308.00867	0.5
321.24234	100.0
322.24582	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	321.181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	1.0
58.00687	0.7
66.63201	0.7
67.05479	1.6
69.07076	1.1
69.74564	1.6
69.74978	2.9
71.80379	0.7
76.30700	0.7
79.05485	1.0
81.07050	1.4
85.29684	0.8
86.09708	96.6
87.10051	1.4
91.05435	1.0
93.07027	1.5
95.08623	1.4
98.21464	0.7
103.05462	5.2
105.07054	0.9
105.97259	0.7
107.04948	1.6
107.08593	1.5
109.10159	2.1
114.27840	0.7
117.07074	0.8
119.84025	0.8
120.08106	100.0
121.08469	3.0
121.10151	1.0
128.10715	50.1
131.04933	1.8
133.10143	0.8
137.09586	1.0
143.31969	0.8
149.05966	1.5
156.10184	12.8
157.10504	0.9
166.08640	54.7
167.09019	2.2
175.07721	0.9
190.07707	0.9
218.07320	1.6
229.06325	1.1
235.07640	1.3
243.32791	0.8
246.06694	3.7
247.07552	1.1
253.34189	0.8
260.08328	0.9
261.09134	5.3
263.07083	1.6
274.06335	1.1
275.06958	1.3
278.09424	1.6
289.08691	6.6
289.44254	0.7
303.23105	0.8
306.08951	2.2
321.11124	10.1
322.12042	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.4
55.01865	5.7
60.66999	3.8
62.29504	3.7
63.14653	3.8
67.05505	14.1
69.03423	17.7
69.07053	6.2
69.36815	35.7
71.04957	4.7
79.05498	12.3
81.03419	31.4
81.07053	18.4
84.36145	4.2
84.99536	3.9
85.02898	38.6
91.05467	16.5
93.07043	13.6
95.04977	14.5
95.08607	11.4
98.65823	3.9
103.05514	6.6
104.17732	4.3
105.07052	14.2
107.04954	17.7
107.08620	7.1
109.02866	9.3
109.10187	4.7
111.04423	48.9
115.05444	17.4
116.77428	4.5
117.07016	16.8
119.08591	16.8
121.06490	12.2
121.10139	7.7
122.06033	7.4
123.11687	4.5
125.09624	5.8
128.06248	8.3
129.07007	13.7
131.04927	8.0
131.08601	9.9
133.06442	6.6
135.08182	5.2
136.07593	10.1
141.07004	8.3
145.06474	23.9
146.07150	4.2
147.08026	8.3
149.05869	6.3
155.04951	5.6
157.06477	8.5
159.08014	8.3
160.05144	9.5
161.05980	12.5
161.09718	4.9
162.06804	4.5
163.07526	10.3
164.07037	10.8
165.07004	4.7
166.06345	4.1
167.07100	20.0
167.08342	4.4
168.07805	6.8
169.06529	13.3
171.08063	8.4
173.05983	13.9
175.07556	18.0
177.05479	9.7
181.06802	8.4
181.08594	100.0
183.08092	8.3
185.05975	7.4
187.07523	12.4
190.06255	9.0
191.07005	11.7
193.08621	13.8
195.06398	5.8
197.06052	7.0
197.09579	7.4
199.07545	10.4
201.05492	5.2
201.09119	12.2
203.06989	8.2
205.08632	16.7
207.10107	28.1
210.06752	4.3
211.07613	7.5
213.05544	6.6
215.06932	10.9
215.10721	7.7
217.08585	14.5
218.07333	19.4
219.10179	7.8
221.08054	10.5
223.09688	24.5
225.09267	9.9
227.07048	14.4
228.07831	9.2
231.06421	6.2
231.10155	8.8
233.05733	5.0
235.07578	10.1
243.10236	10.8
245.08121	10.4
246.06754	22.0
247.07509	10.7
247.09726	12.8
249.15787	5.9
259.09705	15.3
261.08957	23.0
263.07092	18.6
275.09415	5.2
275.12759	8.9
278.09369	12.4
285.11353	5.7
289.08624	25.9
290.09305	9.4
291.06522	9.6
293.11694	5.0
303.12363	18.7
306.08798	30.0
321.10992	57.8
321.13623	46.3
321.24304	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	321.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38938	0.9
55.01846	1.2
56.96557	3.0
57.03432	1.0
58.00844	0.9
60.52016	0.8
61.02923	1.2
62.59718	0.9
68.98275	1.2
69.03411	1.8
69.39891	2.9
69.40307	4.5
73.01403	1.3
77.00913	1.9
77.14751	0.9
81.03425	1.3
82.27647	0.9
82.99869	3.5
84.96017	1.2
85.01376	1.1
85.02893	4.2
86.99319	0.9
89.00868	1.8
91.02444	2.2
94.99879	0.9
97.01397	1.7
97.02867	3.9
98.97604	6.0
101.00874	28.6
103.02433	3.5
105.00368	1.2
110.97584	1.3
113.00849	11.0
115.02422	18.3
116.98615	4.1
117.04005	6.1
119.01917	83.0
120.02025	2.7
121.01672	1.5
121.03478	1.5
127.02447	3.2
129.03975	5.0
131.00258	2.2
131.01904	35.4
132.01958	1.2
133.03465	46.5
134.03613	1.4
135.03230	2.4
135.05022	7.4
137.00896	2.1
137.02957	16.6
137.05959	2.6
138.32986	1.0
141.03902	2.0
142.03505	2.5
143.00873	1.8
143.01897	25.4
144.99806	2.1
145.03456	18.3
147.01369	3.1
147.03207	1.1
147.05043	6.3
149.02953	5.7
151.04492	7.3
153.03992	1.6
155.01886	29.8
155.05528	1.4
156.02754	4.5
156.05032	1.1
157.03471	10.0
158.99571	2.3
159.01364	1.0
159.05029	29.7
161.02962	36.1
161.06610	1.7
163.04520	7.7
165.04108	1.1
168.99762	8.4
171.01387	4.2
171.05014	31.9
173.01448	1.7
173.02956	31.8
173.06587	7.1
174.03180	0.9
175.03053	1.1
175.04546	7.3
177.00771	2.0
177.02432	2.8
177.04453	1.6
177.06053	14.1
179.03989	1.2
181.03378	1.3
182.06552	1.0
183.01416	1.5
183.05040	4.9
185.02904	4.8
185.06557	4.6
187.00873	24.1
187.02557	1.0
187.04474	2.8
189.02460	13.6
189.04262	1.9
189.06052	23.1
191.04010	14.5
191.05640	1.7
191.07610	2.7
193.03571	1.3
195.05083	2.9
195.07106	3.3
196.99355	6.0
197.02934	3.2
199.04416	1.8
201.00679	1.6
201.02486	5.9
201.04353	1.9
201.06065	12.2
203.04022	11.4
203.07617	4.1
205.01964	8.4
205.05576	1.6
210.02498	1.9
211.04539	1.6
213.06059	7.9
214.05583	1.3
215.00359	35.8
215.03661	1.3
216.00496	1.6
217.01880	1.9
217.05594	1.1
219.01804	3.3
219.03516	3.1
219.05257	1.2
219.07140	17.9
221.05057	47.5
222.05360	1.3
223.04752	1.7
225.06088	1.4
229.01880	12.2
231.03493	2.4
231.07127	13.1
233.01382	4.3
233.05051	16.4
233.08595	2.1
237.02885	3.1
237.06062	1.1
239.06146	2.0
243.07205	5.1
245.05058	12.4
247.02972	54.5
248.03162	2.9
249.04489	2.3
251.06100	1.6
255.07147	4.0
259.06635	2.6
261.08267	52.7
262.08408	1.5
263.06049	1.4
265.04034	9.9
270.04776	1.9
273.08176	3.7
279.09247	81.2
280.09348	1.8
289.03976	7.1
302.10846	1.6
321.06967	4.7
321.10281	100.0
322.10413	3.8
325.74115	1.1
339.09341	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	321.0944
Annotation	Unknow
Peak:m/z	Relative Intensity
68.83437	2.3
69.55051	18.9
72.76171	2.4
82.99847	3.2
85.02923	4.8
88.17123	2.3
92.03891	2.3
101.00883	9.2
103.02488	2.8
115.02473	4.3
119.01912	33.4
123.87966	2.8
131.01921	8.6
133.03485	15.2
137.02899	5.4
140.09506	2.8
143.01932	7.8
145.03470	5.7
147.04948	3.3
151.04460	5.1
155.01889	4.2
157.03468	2.9
159.05005	5.6
161.02959	9.7
168.99850	6.2
173.02989	11.8
177.06201	3.8
183.05096	2.8
187.00919	9.1
189.02380	7.5
189.06102	3.8
191.03990	7.3
201.02519	4.4
203.03934	4.3
205.01907	3.8
215.00426	9.2
219.03526	6.9
219.07137	10.5
221.05052	13.3
229.01927	5.1
231.07086	7.6
233.05104	8.8
234.26070	2.5
239.06123	5.6
245.05046	3.9
247.03049	14.5
255.07202	3.0
260.80542	2.6
261.08331	5.9
265.03818	2.6
278.07813	3.1
279.09296	8.6
289.04019	2.9
308.59909	2.5
314.11917	2.5
321.11313	100.0
322.09848	3.6
324.12463	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0965
Annotation	Photinide E
Peak:m/z	Relative Intensity
53.03943	7.4
55.01868	1.4
67.05497	2.0
69.03421	4.3
71.01350	1.3
71.05007	0.9
71.50335	1.6
79.05495	4.2
81.03413	30.2
81.07053	2.0
85.02912	1.9
87.24204	0.8
91.05478	3.5
93.02739	0.9
93.07053	1.9
95.04958	11.1
97.02886	3.0
97.06518	1.1
99.04449	1.6
103.05471	3.0
105.07024	1.3
107.04951	18.1
109.02875	100.0
109.06508	4.1
111.04471	1.7
119.05021	1.2
121.06521	3.5
123.04416	3.8
125.02354	13.0
125.06004	1.4
127.03895	4.9
129.06998	1.0
131.04955	1.9
133.02843	1.2
133.06451	1.0
133.77061	1.2
135.04459	2.2
147.04424	1.6
149.05946	6.4
151.03922	15.8
153.05478	1.6
159.04425	2.3
175.03966	2.2
177.05464	9.3
189.05592	1.1
195.06543	3.0
196.09900	1.4
197.13486	1.1
206.08385	2.4
215.07048	3.5
221.10773	1.1
239.11867	1.5
256.82880	1.0
257.08008	1.4
267.11215	5.3
285.07599	1.3
285.12347	5.6
303.08939	1.5
303.12888	6.2
321.09659	11.8
321.13818	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.0893
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67849	1.0
56.96560	5.3
60.04512	1.7
60.08152	1.2
64.85894	1.0
69.03422	2.6
69.07050	7.4
70.06602	2.1
71.08466	1.1
71.51058	1.8
71.95059	1.0
74.06103	1.7
76.69279	1.3
81.03410	2.3
85.02898	8.4
86.09704	4.1
91.05437	1.6
93.11851	1.0
97.02886	3.1
98.97546	5.8
98.98466	19.0
110.97552	1.3
111.16924	1.0
112.07586	1.3
115.05467	1.5
116.50227	1.0
116.98592	5.4
118.06520	2.3
124.99107	2.4
125.00000	31.8
127.03850	1.8
128.98578	2.1
134.99654	2.7
140.07030	3.2
142.04860	1.1
143.07346	1.5
144.08064	7.3
146.05946	5.2
146.99625	3.2
151.03920	1.2
158.08087	4.4
158.99684	3.1
161.01228	1.5
164.04300	1.1
164.07083	2.0
172.07564	16.3
173.07802	1.2
173.12886	2.5
174.82314	1.2
177.00737	3.2
178.08647	13.3
181.39236	1.0
190.08649	9.4
192.06485	1.9
196.09700	12.5
201.12398	1.3
204.10202	44.6
205.10362	1.2
206.08121	1.8
219.01797	3.1
222.11243	100.0
223.11618	1.7
233.06894	1.3
234.99028	1.9
237.02808	3.4
240.12215	5.8
279.07526	6.2
297.08578	2.5
302.07990	4.3
320.08926	92.2
321.08957	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	319.079
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	13.7
69.59072	40.0
85.02881	15.2
98.20775	14.2
101.00830	6.6
119.01907	23.0
131.01871	9.7
133.03426	6.4
137.31523	6.2
143.01857	7.0
149.01251	7.0
150.22974	6.2
156.03586	12.7
161.02899	14.0
173.02904	11.8
191.79422	6.5
212.05028	8.0
221.04968	15.3
228.56258	6.7
259.06625	17.6
301.08990	8.9
319.10538	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.079
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	9.4
57.03438	4.2
61.02914	6.0
69.03430	8.0
70.79641	5.3
70.79980	8.8
81.03426	8.7
85.02896	18.7
87.04532	4.3
97.02877	8.9
101.00882	10.2
107.04911	6.5
119.01933	16.8
121.01672	7.9
131.01915	9.0
132.55551	4.0
133.03488	4.4
137.60979	4.2
143.01912	11.7
145.03477	15.0
152.02608	4.3
155.01933	6.8
156.03664	11.3
161.02989	15.6
163.03973	7.3
173.02966	14.0
175.04576	4.6
189.02565	5.3
203.04002	5.9
217.02034	5.4
221.05089	13.8
257.05121	8.0
259.06790	7.9
277.08105	4.6
284.13757	5.0
301.04373	4.7
301.11917	7.6
319.10480	100.0
320.09641	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	319.1176
Annotation	Evofolin B
Peak:m/z	Relative Intensity
53.03933	1.1
55.01865	2.3
55.05487	0.9
65.03928	2.5
67.05492	3.9
67.05827	0.9
69.03428	2.5
70.06598	1.3
70.98569	0.9
71.03098	1.7
71.05000	0.9
72.91234	0.9
74.19984	0.8
76.30054	1.0
77.28508	0.8
79.05475	1.6
81.03394	3.2
81.07021	1.2
82.07346	0.9
85.02886	2.2
89.03892	2.8
91.05467	3.6
93.07023	1.6
95.04956	3.6
95.08555	1.1
97.02876	2.8
103.05447	1.1
105.07017	1.6
107.04933	2.4
107.08569	1.3
108.02095	3.3
109.02882	2.6
111.04450	2.4
114.87711	1.0
117.03391	2.2
121.06508	4.7
122.03563	1.2
123.04465	1.3
125.02361	5.4
131.04872	1.7
133.06487	1.3
134.03648	2.2
135.04405	1.6
137.05978	6.3
139.03896	1.6
141.05447	4.0
149.05977	73.0
150.06335	1.5
151.03909	84.5
151.05026	10.3
151.07471	2.3
152.04257	1.4
153.05840	1.3
153.06952	7.8
161.05984	1.8
163.07568	1.1
165.06966	1.0
167.08571	1.2
169.06387	1.4
177.05467	100.0
178.05861	1.3
181.06474	12.0
183.07967	0.9
195.08087	1.6
197.05991	1.3
198.06691	1.5
203.03404	1.2
209.05956	5.2
213.09096	6.8
226.06081	1.5
231.02834	1.2
241.08556	7.9
266.67896	1.0
269.07996	1.9
271.10535	1.2
273.11133	15.5
283.10193	1.8
301.10883	10.3
319.08908	0.8
319.12808	3.2
338.28613	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.3
53.93913	0.2
55.01864	0.4
55.05489	1.0
57.03424	1.3
60.04515	1.4
61.02917	1.2
67.05502	0.6
68.05032	0.3
69.03429	4.2
69.07061	1.4
70.06593	0.7
70.07359	0.3
70.85266	0.3
71.04990	0.3
71.51060	0.5
72.08154	2.0
73.02905	0.8
79.05457	0.4
81.03412	1.4
81.07027	0.5
82.06582	0.7
82.52085	0.3
83.04964	0.5
83.08601	0.5
84.04527	0.4
84.08167	0.5
85.02901	7.5
86.09703	6.0
87.04452	0.8
87.05573	0.8
91.03967	0.4
91.05446	0.5
93.07041	1.5
95.04970	0.4
95.08614	1.9
96.04491	2.5
96.08131	2.2
97.02895	3.6
97.05278	1.7
97.06518	1.2
98.06055	0.3
99.04467	0.4
100.07607	1.2
108.08086	0.4
109.02861	1.1
109.06493	0.6
110.06028	6.1
110.09657	3.2
111.08069	1.0
114.09159	0.4
118.08673	0.5
119.08532	0.3
120.08124	1.1
121.06487	1.1
125.08376	0.8
126.09148	8.4
127.03909	1.9
127.09444	0.3
128.10744	0.7
132.10114	0.4
138.09129	20.1
139.07529	1.5
139.09485	0.3
145.04971	1.2
149.05907	0.3
151.03954	0.5
151.07481	0.3
152.10661	0.7
156.10191	100.0
157.10544	1.6
159.11267	1.2
168.10187	1.0
173.11409	0.3
173.12859	5.4
177.05490	0.4
180.10194	0.7
198.11296	0.7
201.12347	1.2
204.04861	0.4
205.11816	0.4
205.49814	0.3
222.11252	0.5
227.11705	0.3
272.11600	0.3
273.12494	0.3
301.11813	3.2
318.15555	2.1
318.21033	0.3
319.12927	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2108
Annotation	Didemnilactone A
Peak:m/z	Relative Intensity
55.01854	3.3
55.05501	17.7
57.07054	11.8
59.04985	6.1
60.04496	3.4
67.05499	56.0
69.03410	7.9
69.07053	6.4
69.87089	2.5
70.06573	5.6
71.04962	3.2
71.36405	5.8
79.05476	14.3
81.07047	33.6
83.04966	4.7
83.08603	7.0
88.07602	7.3
90.76449	2.4
91.05470	20.1
93.07043	24.8
95.04948	32.5
95.08591	26.9
97.06522	7.0
102.09171	4.0
105.07025	18.7
107.04965	3.5
107.08586	44.1
109.06506	20.1
109.10152	95.5
110.10466	2.8
111.04470	3.3
117.07000	5.3
119.08578	68.9
121.06495	6.4
121.10114	9.2
123.08052	30.2
125.09582	2.7
131.08551	8.6
133.06526	4.4
133.10094	11.5
135.08047	13.0
135.11647	3.3
137.09607	81.4
139.07518	4.8
143.08514	7.8
145.10080	9.7
147.08014	7.7
147.11646	7.0
149.09604	6.1
151.07530	68.5
153.05432	5.2
155.08565	4.0
156.09355	4.8
157.10132	5.6
159.08083	4.0
159.11674	9.1
161.09576	9.0
161.13324	3.5
163.11139	9.4
165.09117	8.1
167.07001	2.9
171.11664	3.9
173.13246	4.6
175.11180	3.1
177.09056	3.5
179.10754	2.9
181.08611	6.4
181.10088	3.2
181.12201	3.3
183.11707	3.7
185.13298	2.6
189.12715	38.2
190.13313	2.5
191.10579	4.5
199.11067	3.4
203.14294	5.2
207.13747	31.9
215.14259	5.5
217.12213	3.5
221.15250	6.4
223.14949	2.7
231.13603	2.9
233.15378	4.9
237.14835	7.4
243.13728	10.6
256.26358	14.4
259.16852	3.1
261.14706	4.9
281.18961	4.1
299.20132	20.5
317.21066	100.0
317.28748	3.8
318.21378	7.5
318.30026	39.4
338.65125	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.0
55.01874	9.1
55.05511	7.9
55.38800	1.6
57.03441	4.3
61.02921	6.4
64.21478	1.5
66.89075	1.5
67.05511	13.3
69.03142	1.6
69.03434	15.0
69.07061	4.9
70.06583	4.6
71.04980	4.5
71.50956	2.7
72.08155	2.9
73.02908	3.6
79.05474	6.1
81.03420	9.7
81.07056	6.8
83.04973	11.6
83.08640	2.2
84.04486	1.9
84.08115	4.5
85.02906	45.2
85.06545	39.1
86.09698	1.9
87.04460	5.2
87.32398	1.8
91.03947	2.5
91.05476	8.2
93.07063	19.8
93.49619	1.5
95.04960	3.9
95.08607	49.5
97.02898	20.3
97.06541	3.7
99.04444	2.7
105.06996	2.2
107.04969	3.1
107.08596	4.9
109.02872	4.3
109.06462	2.0
109.10153	9.6
109.10773	1.5
111.04434	2.9
111.08104	2.1
117.03444	1.7
118.97082	1.6
119.04933	6.7
119.08579	6.1
121.06528	2.0
121.10105	2.7
123.08003	2.8
127.03936	9.8
130.06519	1.8
131.08597	2.8
135.04396	4.1
137.05972	3.5
137.09589	7.2
139.11134	2.0
145.04951	6.6
147.04424	9.0
147.11694	3.7
149.09639	4.3
151.07564	3.4
151.09932	3.2
155.06909	3.8
155.10669	100.0
159.11664	2.1
163.03891	5.1
164.17427	1.8
167.10680	5.7
179.07062	16.6
181.06490	2.4
188.07060	9.7
196.09517	1.8
197.05875	2.9
215.09100	2.2
225.43352	1.7
239.70149	2.0
271.10013	2.2
287.10211	4.1
299.10220	4.8
299.20200	3.0
317.06567	5.0
317.12045	18.8
317.15576	2.9
317.21182	7.4
318.09805	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	317.2109
Annotation	Topsentolide A1
Peak:m/z	Relative Intensity
53.03931	2.1
55.01862	3.2
55.05513	13.1
57.07067	7.8
59.04985	3.7
65.03929	2.7
67.05500	56.6
69.03418	4.4
69.07054	6.9
70.06579	7.6
70.65800	5.2
71.04977	3.7
71.47025	1.7
73.25294	1.7
79.05490	10.0
81.03426	1.8
81.07051	26.8
82.59081	1.5
83.04961	2.7
85.06525	3.7
85.13303	1.4
87.04469	3.6
88.07620	9.5
91.05472	15.8
93.07037	19.3
95.04960	27.3
95.08582	19.5
96.05328	1.4
97.06516	7.8
102.09171	5.7
105.07032	14.9
107.07885	3.1
107.08582	42.6
109.06492	18.4
109.10149	100.0
110.10568	1.9
117.06987	4.6
117.42711	1.6
119.08566	58.6
121.06495	6.4
121.10135	8.2
122.58549	1.7
123.08052	26.7
125.05946	3.6
131.08551	5.2
133.06464	3.9
133.10126	7.8
135.08044	9.9
135.11681	3.2
137.09610	76.4
138.09924	2.8
143.08539	4.4
145.10133	7.5
147.08054	5.1
147.11661	4.6
149.09573	5.2
151.07538	62.1
153.05482	4.9
156.09358	3.8
157.10103	4.0
159.08067	5.9
159.11665	5.0
161.09608	5.9
161.13269	3.1
163.11209	5.6
165.09099	6.8
167.07048	2.4
171.11729	7.9
173.09549	3.3
173.13281	4.2
179.10681	1.8
181.08591	5.0
181.10103	2.1
181.12199	4.9
189.12726	25.2
190.13159	2.2
191.10609	2.9
197.13329	2.7
199.11139	2.2
199.14737	2.2
207.13780	25.3
215.14201	2.1
221.15355	3.8
233.15324	3.1
237.14926	6.5
243.13739	10.1
256.26318	17.2
261.14847	5.8
269.37433	1.7
299.19946	11.1
302.04337	1.9
317.21091	75.3
317.24445	2.9
317.28845	5.1
318.21350	5.0
318.29993	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	317.1383
Annotation	CHEBI:69977
Peak:m/z	Relative Intensity
50.06142	1.4
55.01862	5.0
66.12364	1.5
66.92570	1.6
67.05496	1.6
69.03397	2.3
69.61918	9.9
79.05489	5.5
81.07041	2.4
84.08123	2.0
91.05486	28.6
93.07040	3.8
94.04188	4.0
95.04948	6.0
97.02883	1.7
103.05448	6.4
105.07021	6.4
107.04945	6.6
109.06523	3.0
113.67361	1.6
117.07080	2.2
119.04947	12.7
119.08566	2.0
121.06515	16.7
122.03661	8.2
123.04430	15.5
128.06190	5.7
129.07018	17.0
131.04924	3.5
132.60165	1.4
133.02806	3.9
133.06438	1.7
135.04437	6.9
136.05161	2.5
137.05978	100.0
137.09470	1.8
140.90564	1.4
145.06430	1.5
147.04427	17.0
147.08063	7.6
149.05989	33.5
150.06801	7.0
151.03886	2.0
151.06302	3.1
151.07549	63.1
152.06195	2.6
153.06967	3.2
155.08577	3.3
157.06494	11.6
161.05984	5.8
163.07530	2.9
165.06987	15.4
167.07205	2.0
167.08611	5.2
169.06432	2.9
175.07538	38.9
178.07724	4.7
181.06432	2.3
182.07242	3.7
183.08044	3.9
189.09009	3.0
193.06670	7.3
193.08531	4.1
193.10159	6.1
194.07150	1.7
195.08116	8.0
197.05960	4.2
197.09694	2.5
203.08548	1.6
205.06355	1.8
207.08047	1.9
210.06758	6.8
211.07510	10.3
213.09088	5.0
221.05986	11.5
221.09512	7.0
223.07567	3.2
225.09122	6.6
227.06978	1.7
233.41319	1.7
238.06223	2.1
239.06998	8.0
239.10736	3.1
241.08592	9.3
243.10115	1.8
249.09138	3.6
253.08620	11.0
253.12071	8.6
255.06549	2.1
255.10291	1.7
256.07516	2.4
257.08194	1.7
258.08804	4.9
267.10132	3.2
270.08896	2.2
271.09628	29.1
273.11185	15.4
281.11734	2.9
287.10184	3.4
299.10193	1.9
299.12878	15.1
317.13834	5.0
329.44598	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1595
Annotation	(2E)-2,6-Dimethyl-2,5-heptadienoic acid beta-D-glucopyranosyl ester
Peak:m/z	Relative Intensity
51.78402	0.8
53.03951	2.4
55.01873	9.6
55.05511	5.0
57.03434	3.1
57.07063	1.2
59.05019	1.1
60.04535	0.9
60.52686	0.9
61.02930	6.3
67.05512	11.6
69.03432	17.2
69.07063	2.8
70.06581	4.7
70.11214	4.2
71.04980	3.1
72.08156	1.1
73.02917	3.3
79.05489	4.5
81.03426	5.5
81.07056	5.2
83.01345	1.3
83.04985	7.4
84.08158	2.9
85.02907	35.4
85.06544	28.2
86.09708	5.2
87.04472	3.8
87.10036	1.9
91.03960	2.6
91.05488	3.5
93.07054	20.9
95.04971	2.9
95.08611	56.6
97.02900	15.3
97.06534	2.4
98.21449	1.0
99.04468	3.9
104.62502	1.0
105.07008	2.4
107.04966	2.0
107.08590	4.1
109.02865	5.2
109.10164	7.3
111.04453	1.5
111.08103	1.2
116.07103	2.4
117.06917	1.0
119.04942	7.0
119.08620	4.8
121.06544	2.1
121.10155	2.9
123.04457	1.6
123.08033	1.7
127.03898	9.8
130.05031	1.4
135.04407	1.3
137.06012	2.2
137.09639	10.0
139.11230	1.6
145.04956	7.4
147.04414	6.8
149.06018	1.2
149.09636	2.5
151.07573	1.4
155.06898	3.1
155.10670	100.0
156.11047	2.8
159.11786	1.2
167.10706	4.1
173.12988	1.3
175.07567	1.0
179.07022	13.5
180.07434	1.2
183.11639	1.1
185.04292	1.4
197.08054	1.3
203.05118	1.2
215.09198	2.2
271.10699	1.0
287.10272	3.8
299.10275	3.4
317.06754	1.5
317.12234	16.6
317.15918	2.4
317.21140	4.0
318.11810	1.1
318.81274	1.0
320.84741	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1383
Annotation	CHEBI:69977
Peak:m/z	Relative Intensity
55.01871	2.6
58.18280	1.0
65.03942	2.4
67.05492	3.4
69.03402	3.3
69.07044	1.5
70.89396	1.1
71.50555	1.6
71.50968	2.0
79.05503	6.9
81.03418	2.3
81.07042	4.1
84.08086	1.8
85.02897	2.0
91.05475	22.3
93.07030	5.9
94.04157	2.6
95.04964	11.9
95.08607	2.7
97.02882	2.0
97.06533	2.3
103.05450	6.7
105.06997	4.8
107.04953	9.1
107.08595	1.6
109.02869	2.6
109.06507	4.2
115.05458	2.5
117.72535	1.2
118.12509	1.2
119.04937	15.8
119.08567	5.6
121.06490	14.4
122.03638	7.3
123.04440	14.4
123.08087	1.3
125.02357	2.5
128.06215	4.0
129.06989	18.2
131.04907	4.8
133.06482	2.9
135.04393	5.9
136.05188	1.5
136.07564	3.4
137.05971	100.0
137.09641	1.7
138.06360	1.8
141.06949	1.7
143.04874	1.4
145.06447	3.1
147.04395	17.8
147.08051	6.2
149.05977	29.4
150.06754	4.9
151.03914	9.1
151.07536	65.6
152.06236	1.3
153.01794	1.2
153.05495	1.6
153.06964	3.2
155.08546	2.5
157.06464	12.0
159.07990	1.6
160.05110	1.6
161.05963	5.7
163.03891	2.0
163.07489	3.9
164.07048	1.6
165.06998	15.2
167.08545	6.4
169.06500	2.8
175.07530	42.6
177.05437	4.9
177.06892	1.4
178.07796	6.6
179.08611	2.3
181.06442	3.8
182.07285	3.3
183.08044	4.9
189.09116	2.0
193.06517	8.5
193.08505	2.8
193.10153	5.0
195.06500	2.6
195.08026	8.6
197.05923	4.1
197.09546	1.9
203.08455	2.2
207.08046	2.1
209.05994	1.3
210.06743	5.4
211.07487	8.1
213.05389	1.6
213.09038	6.6
221.05966	8.3
221.09549	8.0
223.07486	6.1
224.08360	2.5
225.09073	4.5
226.06377	1.3
227.10635	3.5
234.06818	1.8
235.07581	1.8
238.06252	4.7
239.07002	8.5
239.10626	2.0
240.07622	2.0
241.08540	8.4
249.09087	4.0
253.05721	1.8
253.08549	12.0
253.12201	10.1
255.06464	1.5
255.10069	1.5
257.07999	2.1
258.08807	5.7
266.09583	1.4
267.10107	2.4
270.08884	3.6
271.09595	31.5
273.11169	18.5
281.11719	4.5
287.10233	5.6
289.15503	2.0
299.09891	2.5
299.12936	15.7
302.04190	2.9
317.06573	8.6
317.10919	4.0
317.14264	6.8
317.21103	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	317.1383
Annotation	CHEBI:69977
Peak:m/z	Relative Intensity
51.02379	1.1
53.03945	1.9
54.64431	0.9
55.01863	3.8
65.03933	2.0
67.05504	2.0
69.03430	2.4
69.07077	1.6
71.06183	0.9
79.05499	3.8
81.03420	1.9
81.07058	3.4
84.04489	1.4
84.08131	1.6
85.02879	2.6
86.09710	4.0
91.05478	25.1
93.07048	2.8
94.04194	3.4
95.04975	7.1
95.08596	2.2
97.02895	1.2
103.05480	6.4
105.07037	4.2
107.04979	4.6
107.08593	2.0
109.02887	1.6
109.06556	4.6
109.10143	2.0
111.04457	1.8
115.05476	2.1
117.07035	3.6
119.04948	12.4
119.08584	3.5
121.06503	12.6
121.10132	1.2
122.03646	9.1
123.04428	13.3
123.08070	1.1
128.06219	4.9
129.07025	18.6
130.05011	1.6
131.04947	3.3
131.08615	1.1
133.06549	1.7
135.04416	4.1
135.08051	2.3
136.05231	2.5
137.05978	100.0
138.06367	1.7
141.07007	2.6
143.08621	0.8
145.06468	3.3
145.10094	1.0
146.03650	1.8
147.04422	18.4
147.08067	7.3
149.05975	24.1
150.06737	4.2
151.03908	2.9
151.07547	64.6
152.06169	1.8
153.01749	1.0
153.05608	0.9
153.06960	2.2
154.07698	0.9
155.08575	3.0
155.10643	1.0
157.06487	10.5
160.05235	2.2
161.05965	6.1
162.06750	1.1
163.07516	4.9
165.05624	1.3
165.07011	17.7
167.07350	1.2
167.08548	6.7
169.06490	2.7
173.06073	1.1
175.07544	37.5
177.06937	1.0
178.07803	5.5
179.08508	1.7
181.06519	3.0
182.07275	4.4
183.08049	4.7
189.09198	2.7
191.08586	1.3
192.09343	1.6
193.06587	8.7
193.08542	4.0
193.10049	6.5
194.07234	1.8
195.08018	9.8
197.05989	4.5
197.09621	1.7
198.06696	1.5
202.07813	1.3
203.08685	1.5
205.06456	1.1
206.07152	1.7
207.08179	0.9
209.05962	1.7
209.09633	1.1
210.06750	8.4
211.07494	10.2
213.05565	1.5
213.09056	7.3
216.00142	0.9
221.06009	11.3
221.09549	7.8
223.07553	5.1
224.08307	1.5
225.05504	1.3
225.08998	10.2
227.07074	3.1
227.10709	3.0
231.08005	1.3
237.09100	1.8
238.06311	3.2
238.10019	1.3
239.07021	11.7
239.10605	1.6
240.07834	2.8
241.08598	7.9
249.09117	4.7
250.09911	1.1
253.08539	11.4
253.12169	8.6
255.06544	2.9
255.10301	1.9
256.07343	1.9
258.08871	4.0
267.10077	2.0
270.08865	4.2
271.09653	28.6
273.11172	15.8
281.11795	3.3
287.10150	7.0
287.12585	0.9
299.10101	4.1
299.12830	15.1
299.20026	1.4
317.06833	1.8
317.11081	4.9
317.14523	5.7
317.21265	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0657
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
58.29882	0.2
65.03923	0.8
67.05489	0.5
68.99789	0.8
69.03396	0.3
69.07063	0.3
70.76904	0.5
70.77253	0.2
79.05492	0.4
81.03413	0.3
81.07044	0.6
83.04948	0.3
86.21794	0.2
91.05488	0.7
92.02628	3.0
93.03415	2.9
93.07046	0.4
94.04172	0.3
95.04964	0.3
95.08595	0.8
99.04453	0.2
103.05468	0.2
105.07022	0.5
107.08578	0.5
109.02856	0.3
109.06535	0.3
109.10141	0.4
111.00765	0.3
111.04424	0.3
115.05441	0.3
117.07034	0.3
119.04929	0.3
119.08586	0.6
121.02869	2.1
121.06490	0.3
121.10117	0.4
122.03607	0.3
123.04454	0.4
123.93705	0.2
124.07563	0.3
126.03139	1.2
127.03963	0.2
129.07030	0.3
131.04941	0.4
131.08566	0.2
133.02853	0.3
133.10135	0.5
137.02327	0.6
137.05974	1.1
137.09590	0.3
139.03911	1.5
145.06465	0.3
145.10112	0.4
147.04375	0.2
149.05978	0.4
149.09637	0.2
150.03156	0.3
151.03923	1.4
151.07549	0.3
153.01834	17.9
155.04939	0.3
157.06535	0.2
161.05911	0.2
163.03946	0.3
165.01804	1.0
165.07080	0.3
173.06010	0.6
175.07614	0.3
177.05476	0.3
183.02937	0.4
183.04446	0.4
183.11610	0.2
187.03923	0.4
189.05518	0.3
190.06203	0.3
200.04675	0.6
201.05429	1.8
203.03375	1.9
204.04089	0.3
216.02602	0.2
217.05000	3.2
218.05757	1.3
219.02914	0.6
225.08987	0.2
228.04176	3.7
229.04965	7.3
231.02844	1.1
243.06538	0.2
245.04451	3.7
246.05247	3.7
253.08659	0.3
253.19469	0.4
256.03741	0.4
257.04434	4.7
258.21927	0.3
259.02621	0.2
260.03207	0.9
261.07568	0.3
271.09677	0.2
271.20514	0.7
273.03934	3.6
274.01730	0.3
274.04718	6.8
284.03329	1.0
285.03931	7.3
286.04477	0.4
287.01956	0.3
288.06412	0.3
299.20212	0.4
301.03467	0.4
302.04218	22.3
303.04590	0.7
317.06564	100.0
318.06882	2.1
332.19241	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	2.8
57.07063	4.4
58.06598	1.7
59.04712	2.6
59.04995	35.7
60.52576	1.5
66.29331	1.5
67.05487	3.7
69.07061	3.5
71.08622	2.5
71.52178	2.6
75.22619	1.5
79.05482	3.6
81.03383	1.5
81.07035	3.5
83.08612	1.8
91.05493	9.7
93.07026	3.7
95.04968	1.6
95.08601	3.9
97.06516	1.8
103.05487	1.8
105.07029	23.5
107.08559	2.4
108.87778	1.4
109.06512	1.8
111.04417	6.7
117.07020	4.9
119.08578	5.9
121.10149	2.6
129.06996	3.5
131.08549	14.4
133.10126	2.9
135.08070	4.1
137.05980	1.8
141.07076	1.5
142.07777	3.7
143.08557	6.4
145.10141	9.3
147.04439	2.0
155.08539	14.0
156.09293	1.8
157.10114	16.5
159.11684	15.3
163.07558	2.0
167.08534	1.7
169.10078	3.9
170.10738	2.1
171.11694	13.2
173.13261	3.6
175.03842	3.5
179.08548	2.4
181.10049	8.1
183.08040	2.1
183.11670	3.8
185.13283	4.3
187.10982	1.8
187.14877	1.6
193.10202	1.7
195.08131	2.0
195.11717	5.2
196.12375	1.6
197.13274	2.5
203.22049	1.5
209.13258	6.4
211.11235	2.5
211.14795	9.8
213.16345	10.7
217.61594	1.6
221.13087	3.4
225.12804	2.0
225.16348	2.0
227.17908	5.3
235.14726	3.6
237.16423	9.0
239.14394	2.7
251.17912	3.5
253.15900	2.3
255.17403	8.7
257.15451	3.8
258.27927	2.5
259.28223	5.4
261.16293	4.7
273.18567	2.7
279.17490	7.3
283.09625	1.8
297.18365	6.8
299.11127	5.3
300.12018	2.1
314.34143	2.1
315.14401	4.5
315.19312	100.0
315.34491	53.1
316.19751	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	315.1224
Annotation	8-Hydroxy-2,3,4,7-tetramethoxyphenanthrene
Peak:m/z	Relative Intensity
51.02376	1.8
51.23847	1.2
52.49592	1.0
53.00307	1.3
53.03949	7.1
55.01859	4.7
55.05501	1.2
57.03436	1.7
65.03930	2.5
67.05494	2.8
68.99780	1.2
69.03410	2.1
69.21783	2.1
69.22185	10.9
71.01341	2.9
77.03892	1.3
79.05496	12.1
80.63776	1.1
81.03403	2.9
81.07046	3.9
83.01328	4.3
83.04974	1.5
91.05485	39.0
93.07053	7.5
93.70746	1.1
95.04970	11.7
97.02868	2.5
103.05466	10.7
105.03365	4.0
105.04515	2.5
105.07036	14.1
107.04974	11.7
109.02856	2.5
109.06506	2.2
115.05471	19.2
116.06258	10.3
117.06242	1.7
117.07017	20.1
118.04135	2.4
119.04952	7.9
119.08546	5.2
120.05708	3.3
121.02896	2.3
121.06496	13.7
121.77072	1.1
123.00784	2.6
123.04398	1.6
125.02341	2.9
127.05466	1.3
128.06223	38.5
129.03337	1.9
129.07008	47.5
130.07756	3.7
130.29369	1.0
131.04919	10.2
131.08549	7.6
133.02820	4.2
133.06505	16.7
134.07262	3.7
135.04414	3.1
137.05971	4.1
139.03868	3.5
139.05455	1.3
141.06999	19.0
142.07780	9.5
143.04930	2.6
143.07518	1.8
143.08556	22.8
144.05701	21.8
144.08861	1.6
145.06522	14.3
145.10094	1.4
146.03613	3.3
147.04428	5.8
147.08017	3.1
149.02388	1.4
149.06058	1.5
149.42477	1.3
151.03868	3.5
152.06203	17.2
153.07001	26.4
154.07741	5.6
155.03381	5.4
155.04857	1.6
155.06012	4.8
155.08569	15.1
156.09361	1.7
157.02837	2.0
157.06491	23.6
157.10120	9.8
158.07294	5.6
159.04405	11.8
159.08057	8.1
159.11688	2.2
161.06004	12.7
163.03862	2.5
165.05470	16.1
165.06985	25.2
166.07806	17.7
167.03455	1.5
167.04848	1.9
167.08537	13.1
168.05711	3.2
169.06464	9.7
169.10086	3.5
170.07214	4.6
171.04286	1.2
171.08049	18.0
171.11711	1.8
173.05965	5.0
175.03874	7.2
176.04764	1.5
177.05490	1.7
177.06970	2.3
178.07730	3.7
179.08556	5.2
180.05710	2.3
181.05020	1.4
181.06487	19.1
181.10104	14.7
182.07135	1.8
183.04491	1.8
183.08040	6.6
183.11732	1.4
184.05135	2.5
184.08783	2.8
185.05989	18.5
185.09595	12.6
186.06700	2.1
187.07520	4.9
189.05458	17.3
189.06993	1.9
189.08682	1.2
190.07736	2.7
191.07091	2.1
191.08542	7.9
193.04919	1.9
193.06471	1.6
193.10176	1.5
194.07295	7.0
195.08101	9.0
197.05969	4.7
197.09607	4.4
198.06642	1.8
199.07562	19.0
199.11217	9.6
201.05539	10.1
201.09160	1.2
203.07011	2.6
205.06474	2.0
207.08109	1.5
208.05244	3.0
208.08830	1.8
209.06009	13.3
209.09612	19.5
210.06737	2.0
211.03951	1.6
211.07504	7.5
213.05486	16.3
213.09077	18.1
215.07018	6.3
217.05003	22.2
217.08508	11.9
218.05655	5.1
219.08130	2.7
222.06734	3.6
223.07581	6.8
224.08266	2.4
225.05397	2.5
225.09007	2.8
226.06108	2.1
227.04791	2.0
227.07065	21.7
227.10622	17.4
229.04900	2.1
233.04483	3.7
237.05457	8.7
237.09102	14.8
238.09396	1.3
239.07030	4.8
240.07747	3.5
241.08557	3.1
243.10283	1.5
245.04437	12.1
245.08116	18.4
246.05223	6.2
246.08478	1.2
251.06972	2.4
253.08621	2.7
254.09503	1.9
255.06516	32.5
255.10133	28.3
256.06866	3.2
256.10648	1.7
261.07434	2.0
265.04959	3.0
265.08582	6.3
269.08084	5.3
269.11581	2.6
283.06036	11.9
283.09607	44.5
284.10226	3.3
287.09119	24.2
287.12772	5.1
297.11182	4.2
301.07040	1.8
301.10663	1.5
315.04709	4.1
315.08777	6.9
315.12225	100.0
316.12619	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	314.092
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25443	0.5
53.03950	0.8
55.01859	0.6
55.05494	0.4
56.96572	5.0
57.03427	0.9
57.07059	0.8
58.06562	0.4
61.01106	0.5
61.02919	1.1
61.67905	0.4
65.03946	0.6
67.05495	0.9
68.05034	0.6
69.03436	4.3
69.07065	0.5
70.06589	1.5
71.04973	0.7
71.08621	0.6
71.90271	0.4
72.08148	0.7
73.02901	0.9
79.05492	1.2
81.03419	1.9
81.07047	1.5
83.04962	0.6
84.04470	0.5
84.08130	1.2
84.96014	0.6
85.02908	5.1
87.04467	0.6
89.06022	0.5
91.03962	0.4
91.05471	1.2
95.04958	0.5
95.06100	9.3
97.02896	46.4
98.97578	4.6
99.04435	0.6
103.05462	1.0
104.05820	0.6
104.59880	0.4
105.07055	0.5
106.06596	0.4
107.04914	1.1
107.08664	0.4
108.08116	11.5
109.02911	0.9
110.97581	0.5
111.62976	0.4
113.02298	0.5
116.98626	4.2
119.01878	1.9
119.03531	0.7
119.04961	1.2
120.08125	0.4
123.06809	1.3
124.03912	1.1
124.07600	1.9
127.03927	1.5
128.98599	0.5
131.01846	0.5
134.06006	0.9
134.09647	1.4
134.99664	2.5
135.04407	0.6
135.48740	0.4
136.06187	100.0
136.07469	3.6
137.04944	0.5
137.05907	3.0
137.08424	0.5
143.01656	2.7
146.99649	1.1
147.03299	0.6
147.04344	2.3
148.06271	0.8
150.07759	0.5
151.03856	0.8
151.07568	0.9
152.07065	7.4
152.10738	1.0
154.08629	0.8
158.99631	0.7
159.03174	0.5
161.01315	0.4
161.02733	1.5
163.03917	1.1
164.05678	5.7
165.05557	0.5
172.94316	0.5
173.02954	0.8
174.00873	0.5
177.00790	1.2
178.07274	2.8
179.03751	1.7
185.04576	0.4
190.07335	0.5
190.95409	1.4
190.98462	0.5
193.13373	1.1
199.02658	0.5
203.04099	0.6
205.63995	0.5
208.96442	1.0
211.14417	5.9
217.05510	1.0
219.01859	0.7
221.05089	0.8
223.04865	0.6
230.51904	0.5
232.96428	0.7
237.02806	0.9
245.03185	0.5
248.07750	0.7
248.99252	1.5
250.09332	0.6
252.20747	0.7
253.03714	0.6
267.00125	1.0
270.21701	3.9
273.08194	0.5
278.06757	0.6
278.73883	0.5
290.96982	0.7
296.08203	3.3
298.10724	1.1
314.09106	5.7
314.12347	8.7
314.27750	1.0
315.07687	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.069
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98989	0.7
53.03950	0.9
55.01872	3.6
58.99573	0.8
67.05482	0.9
69.03417	2.8
70.61047	1.5
70.61419	1.7
71.04961	0.9
73.02908	1.3
74.00660	3.3
74.99072	1.3
79.05460	1.3
80.05013	2.8
86.00626	0.9
93.07001	0.7
95.04970	3.4
96.04493	7.2
97.02878	2.9
100.02227	0.9
102.98518	2.4
106.06548	7.0
107.04964	2.8
107.39365	1.0
120.99574	4.7
122.02395	2.7
122.06020	1.0
123.04436	2.0
124.03950	100.0
125.02335	5.0
125.04285	1.6
126.05518	1.4
132.08096	1.5
138.00102	1.4
140.03419	6.5
146.06090	0.9
148.03943	1.5
148.07559	2.2
149.05962	0.8
150.05508	2.8
151.03894	4.8
152.01616	1.7
164.03430	2.0
164.06990	0.8
176.03438	4.7
176.07036	2.8
180.01291	1.4
180.02914	4.4
180.04672	1.2
182.02699	1.6
194.04469	7.5
194.08170	2.6
198.02197	5.7
208.00586	0.8
208.04272	0.9
220.09738	1.6
226.01683	43.1
227.01907	1.0
244.02731	2.1
250.05334	1.1
264.08734	4.6
268.06375	9.9
278.04837	1.2
296.05853	65.7
297.06213	1.8
314.07025	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	314.069
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	3.0
55.93520	2.6
57.03418	1.8
57.07064	1.6
67.05488	1.8
67.14611	1.3
69.03406	3.7
69.16860	1.2
70.06592	29.3
70.97517	2.1
70.97847	2.2
72.08150	8.5
72.73996	1.5
72.93786	1.9
73.02905	1.9
79.05504	2.3
81.03416	2.7
81.07056	3.0
81.33972	1.4
84.08134	2.3
86.09687	3.9
88.03956	1.6
95.04975	5.0
96.04472	7.6
97.02890	3.2
100.46084	1.5
103.05447	2.3
106.06530	6.2
107.04961	4.0
108.04541	1.3
120.99600	5.1
123.04448	3.9
124.03953	100.0
125.02366	5.3
125.04265	1.5
126.05505	1.5
131.04898	2.2
134.06020	1.6
138.00139	1.8
140.03416	4.5
148.07541	2.1
150.05501	2.7
151.03886	6.7
151.07655	1.4
152.01654	68.6
169.13405	7.2
170.97435	1.9
173.09186	1.5
176.03496	4.3
176.07129	2.4
180.01215	2.0
180.02930	2.2
187.97618	1.9
188.98517	1.5
194.04478	6.2
194.08136	2.2
196.08397	1.9
197.12808	3.7
198.02266	7.7
215.13834	4.1
224.07773	1.5
226.01704	41.0
244.02742	2.2
264.08643	3.6
268.06400	13.5
296.05878	68.4
298.10583	3.6
299.11514	1.9
314.06946	4.7
314.14200	10.2
314.27695	1.6
321.43683	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	6.9
57.03160	0.9
57.03438	17.8
57.07075	52.5
67.05508	10.8
69.07068	9.2
69.44272	0.5
70.77843	1.9
71.08630	31.5
75.04472	0.8
78.37009	0.5
79.05461	0.7
79.34200	0.6
81.06591	1.2
81.07053	13.4
83.04978	0.6
83.08620	10.5
85.10181	16.2
87.57487	0.7
89.06047	3.4
93.07033	1.3
95.08606	18.9
97.10177	5.0
99.11732	1.1
103.07581	1.7
109.10150	9.8
111.11718	0.9
117.09168	0.9
123.11707	4.0
137.13254	1.3
239.23700	4.6
257.24731	6.0
313.27353	100.0
314.27606	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.069
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	3.0
55.93520	2.6
57.03418	1.8
57.07064	1.6
67.05488	1.8
67.14611	1.3
69.03406	3.7
69.16860	1.2
70.06592	29.3
70.97517	2.1
70.97847	2.2
72.08150	8.5
72.73996	1.5
72.93786	1.9
73.02905	1.9
79.05504	2.3
81.03416	2.7
81.07056	3.0
81.33972	1.4
84.08134	2.3
86.09687	3.9
88.03956	1.6
95.04975	5.0
96.04472	7.6
97.02890	3.2
100.46084	1.5
103.05447	2.3
106.06530	6.2
107.04961	4.0
108.04541	1.3
120.99600	5.1
123.04448	3.9
124.03953	100.0
125.02366	5.3
125.04265	1.5
126.05505	1.5
131.04898	2.2
134.06020	1.6
138.00139	1.8
140.03416	4.5
148.07541	2.1
150.05501	2.7
151.03886	6.7
151.07655	1.4
152.01654	68.6
169.13405	7.2
170.97435	1.9
173.09186	1.5
176.03496	4.3
176.07129	2.4
180.01215	2.0
180.02930	2.2
187.97618	1.9
188.98517	1.5
194.04478	6.2
194.08136	2.2
196.08397	1.9
197.12808	3.7
198.02266	7.7
215.13834	4.1
224.07773	1.5
226.01704	41.0
244.02742	2.2
264.08643	3.6
268.06400	13.5
296.05878	68.4
298.10583	3.6
299.11514	1.9
314.06946	4.7
314.14200	10.2
314.27695	1.6
321.43683	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.7
55.05278	0.8
55.05513	10.5
57.03440	26.3
57.07076	70.1
65.14357	0.7
67.05182	1.2
67.05505	14.7
69.07068	11.3
70.65392	2.3
70.72233	0.7
71.04987	1.3
71.08632	44.1
75.04456	0.9
79.05476	0.9
81.07059	17.4
83.04970	0.9
83.08621	12.4
85.10184	23.5
89.06042	3.7
93.07005	1.3
95.08610	26.1
97.06506	1.1
97.10174	7.7
99.11721	1.1
101.06008	1.0
103.07573	2.4
109.10159	11.8
111.11719	1.2
123.11699	4.8
125.13251	0.9
137.13229	2.1
146.41893	0.8
148.03653	0.7
156.26793	0.9
221.22794	1.1
239.23735	4.8
257.24716	7.3
313.27365	100.0
314.27716	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	313.237
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
55.01863	4.3
55.05494	18.1
57.03425	4.2
57.07055	13.2
58.06587	4.2
59.22872	4.0
67.05502	27.4
69.07066	23.8
71.04978	3.9
71.08633	4.7
71.51761	6.8
79.05495	19.8
81.03413	9.2
81.07048	29.7
83.04964	6.1
83.08617	16.4
85.06499	3.8
85.10170	17.0
91.05463	16.7
93.07037	14.4
95.04948	15.6
95.08585	12.2
97.06534	19.7
97.10175	5.3
103.05459	37.8
105.07037	19.8
107.04996	5.3
107.08611	7.4
109.06516	6.2
109.10133	14.9
113.09628	7.0
119.04934	6.3
119.08544	9.9
129.07024	8.4
131.04927	21.0
131.08530	9.1
133.06465	4.2
133.10071	8.8
135.04404	16.2
137.05963	13.8
143.08572	5.7
145.10106	6.1
147.11685	5.2
148.05185	16.8
149.09616	3.9
151.07558	15.5
151.11143	4.5
159.04350	4.2
161.05977	6.3
163.07423	19.4
165.05490	4.3
165.12773	16.1
167.08534	4.9
169.10197	5.5
170.42548	3.5
171.11700	3.7
175.03876	24.0
176.04729	8.5
187.03850	8.2
191.06960	9.4
195.08124	5.4
199.07489	9.2
200.63762	3.8
211.24878	4.9
217.08708	4.1
226.06192	5.5
241.08632	14.0
241.12328	6.4
243.10138	6.5
253.08620	4.2
277.21619	29.2
285.11432	6.5
295.22702	100.0
298.10718	19.1
299.11478	12.8
313.06970	7.7
313.10703	17.2
313.14240	19.1
313.17599	6.1
313.21539	13.9
313.27362	9.5
314.13931	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	313.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37255	0.8
51.60676	0.7
55.05509	8.2
57.03434	22.6
57.07072	62.6
67.05501	12.9
69.07064	11.9
71.04983	0.8
71.08626	40.7
71.22524	1.8
76.46949	0.9
81.07047	16.3
81.81729	1.0
83.08621	13.6
85.06536	1.3
85.10178	22.7
89.06023	2.8
95.08601	24.7
97.10170	7.3
99.11736	1.0
101.32700	0.8
103.07594	2.8
109.10159	13.9
111.11677	2.3
123.11708	4.4
137.13255	2.2
147.15213	0.8
151.14864	1.5
164.90268	0.8
165.52322	0.8
189.12637	0.9
205.28831	1.0
239.23628	4.8
257.24765	7.8
298.27286	2.2
313.27344	100.0
314.27646	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	313.2162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	7.1
55.05502	24.1
57.03435	10.0
57.07064	31.4
58.06594	14.4
59.93729	7.1
62.16656	6.6
65.77791	6.3
67.05508	45.7
69.07068	54.1
69.41761	35.1
69.42178	23.4
71.04969	9.9
71.08618	19.3
78.62962	6.4
79.05494	36.5
80.42310	7.2
81.07053	52.3
83.04977	19.8
83.08624	18.2
85.06541	16.9
85.10188	19.0
90.97995	7.7
91.05469	69.9
91.09441	6.8
93.07040	47.7
93.07552	7.5
95.04936	35.2
95.08612	59.8
97.06530	41.9
97.10194	11.1
97.29801	6.2
99.08099	8.9
103.05465	100.0
105.07038	64.1
107.04948	20.2
107.08580	30.0
107.62276	7.8
109.06514	19.7
109.10149	31.9
111.04403	7.8
111.11716	8.8
113.09611	12.4
115.05459	9.5
117.07030	15.7
117.48159	7.3
117.82391	6.4
119.04966	8.9
119.08567	43.6
121.06472	11.2
121.10146	40.8
123.08056	12.0
123.11690	13.5
125.09623	8.8
125.15424	6.9
128.06232	12.1
129.07019	18.3
131.04935	63.7
131.08562	31.4
133.06494	7.8
133.10141	43.3
135.04425	52.6
135.08046	25.1
135.11699	17.2
137.05969	37.4
137.09613	8.9
139.11206	10.6
141.07057	9.1
142.07776	10.3
143.08583	33.9
145.10136	57.1
147.04402	14.4
147.11641	15.9
148.05232	42.8
149.05946	10.5
150.14224	6.5
151.07535	26.2
155.08562	15.3
156.09334	13.0
157.10139	36.1
158.10809	9.5
159.04449	8.4
159.11684	16.5
161.05962	23.5
161.13283	8.0
162.06789	9.0
163.07555	55.5
164.13269	6.8
165.05516	10.1
165.06944	7.7
167.08534	19.0
169.10164	14.2
171.11688	21.4
172.59384	6.7
173.09648	20.2
173.13194	33.8
175.03923	55.8
175.11208	12.0
176.04709	20.6
179.07115	13.6
179.08511	10.4
181.10088	11.4
183.11627	16.3
185.09608	12.9
185.13240	13.8
187.03918	19.0
189.09038	19.5
189.11093	8.3
191.06947	10.9
194.10951	10.3
195.08116	18.0
195.11613	9.6
197.05916	8.0
197.13223	19.3
199.07587	11.2
199.14766	11.6
201.84755	8.6
207.11720	9.1
209.13205	39.3
211.14819	14.3
215.14514	7.6
223.07616	12.5
226.06349	16.0
227.14342	20.0
229.08507	11.0
231.17471	9.5
241.08629	50.3
241.12347	8.5
243.10106	14.6
253.08716	9.5
255.17487	10.8
277.21570	19.7
285.11023	13.0
295.13239	14.1
295.20279	11.8
295.23080	12.3
298.10724	31.7
299.11334	22.3
313.07086	12.8
313.10687	44.4
313.14340	36.7
313.17773	23.5
313.21402	81.5
313.27271	53.9
314.14081	62.9
314.17410	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1433
Annotation	Stemofuran I
Peak:m/z	Relative Intensity
52.61789	0.5
53.03947	0.7
65.03939	1.6
67.05492	0.8
69.71455	3.3
75.93956	0.5
77.03919	0.6
79.05486	1.9
81.07049	1.7
91.05479	39.9
94.04179	2.0
95.04972	7.3
103.05489	2.7
105.07035	1.3
107.04961	3.5
108.05738	0.9
109.06516	2.5
115.05437	1.3
117.07029	1.1
119.04945	26.8
121.06509	1.3
122.03641	6.3
123.08092	1.0
128.06224	8.5
129.07008	22.8
131.04921	2.5
131.08543	1.6
133.06482	1.8
135.07964	0.9
135.89037	0.5
136.05219	3.7
136.06111	0.8
137.05974	72.1
138.06337	1.8
143.04929	1.5
143.08665	0.5
145.06476	3.3
146.07251	1.1
147.08023	1.0
149.05978	1.5
151.07541	100.0
151.19609	0.6
152.07883	1.8
153.06978	0.8
154.41466	0.5
155.05960	0.7
156.05661	2.1
157.06490	15.3
158.07201	1.2
160.05196	0.9
161.05949	2.0
161.09579	1.5
163.07526	3.5
165.05774	0.5
165.06918	2.4
167.08545	0.6
169.06508	0.6
174.06767	12.2
175.07538	6.8
176.08363	0.6
177.09064	0.7
178.07799	3.7
179.08614	0.8
181.06453	1.0
182.07214	0.6
189.09108	57.3
190.09477	1.1
191.08517	1.1
191.10585	1.1
192.09343	1.1
193.06487	0.9
193.10172	6.9
195.08098	0.8
197.05910	0.6
202.07780	1.2
203.08527	2.3
205.06577	0.6
205.10216	0.6
206.07269	1.8
207.08084	0.9
209.05875	1.0
210.06752	2.1
210.10333	0.7
211.07497	1.5
212.08350	0.9
219.08154	1.0
220.08829	1.6
221.09619	10.1
223.07565	1.6
224.08307	1.3
225.05637	0.7
225.09099	1.6
231.08061	2.0
233.05795	0.6
234.06683	0.8
235.11101	0.9
237.05542	1.1
237.08995	1.0
238.06198	1.3
238.09882	1.0
239.07057	0.7
241.08620	1.1
249.09087	8.6
250.10040	0.7
253.08696	2.5
253.12234	10.9
254.12669	0.5
255.06364	0.6
263.10699	0.7
266.09259	1.2
267.10193	0.8
269.08047	3.5
269.29089	0.5
269.66840	0.5
272.10437	0.9
281.08026	1.8
281.11642	6.3
282.12256	0.7
283.09836	0.7
284.10406	1.8
285.11227	1.5
295.13327	0.7
298.11957	0.6
313.10880	2.2
313.14297	34.6
314.14560	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27770	0.5
53.03952	0.9
55.05514	0.7
63.97494	0.4
65.03940	1.3
66.08292	0.5
66.40228	0.5
71.29177	0.4
79.05472	1.8
80.06287	0.6
81.07056	1.2
84.09671	0.5
85.02911	4.3
86.03220	1.7
89.44962	0.4
91.05478	38.1
92.05816	0.4
94.04184	2.7
95.04964	6.4
100.11256	0.7
103.05485	2.4
105.07032	1.7
105.16610	0.5
107.04955	3.7
109.06515	2.5
111.04449	0.7
115.05483	1.4
117.07012	1.3
119.04937	23.2
119.08624	0.6
121.06498	1.3
122.03641	6.3
123.04379	0.6
123.08022	1.0
128.06223	7.6
129.06999	23.1
131.04927	2.2
131.08585	1.0
133.06499	1.2
135.08080	1.0
136.05180	6.0
137.05974	71.3
138.06339	1.2
143.04918	0.7
144.05753	0.7
145.06461	2.8
146.07304	1.2
147.08076	0.8
149.05957	1.4
151.03885	1.5
151.07538	100.0
152.07855	0.9
153.07007	0.6
156.05679	1.2
157.06487	13.5
159.04387	0.6
160.05208	0.7
161.05986	2.0
161.09622	1.7
163.07516	3.9
165.06964	2.6
169.06503	0.7
173.06052	0.6
174.06772	13.5
175.07564	6.8
176.08241	1.0
177.09090	1.2
177.12457	0.6
178.07776	4.0
179.08572	1.0
181.06491	1.4
182.08125	1.2
183.08459	5.6
189.09103	58.7
190.09459	1.8
190.12581	0.5
191.08499	0.8
192.09282	1.9
193.10124	5.9
195.08029	0.6
197.05995	0.9
202.07753	1.2
203.08525	2.7
205.06458	1.0
206.07314	1.2
207.07979	0.7
209.05954	1.4
210.06711	1.4
211.07585	1.1
219.08101	1.3
220.08803	0.9
221.06102	0.8
221.09619	10.1
223.07545	1.2
224.08278	0.6
225.09125	1.7
227.07005	0.7
231.07971	1.0
234.06688	1.1
237.09145	0.6
238.06314	0.7
238.09836	1.6
239.07135	1.0
239.10587	0.9
241.08542	1.7
246.00876	0.6
249.09099	8.0
250.09758	0.7
251.06880	0.8
252.07803	0.7
253.08516	1.5
253.12222	11.3
263.10617	1.5
266.09186	1.4
267.10074	0.7
269.08057	3.9
272.10391	1.0
281.11734	6.3
282.12302	0.8
284.10352	2.3
285.11111	1.5
295.42249	0.5
302.31610	0.5
313.06833	1.4
313.10901	9.4
313.14307	34.0
314.14493	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1432
Annotation	Stemofuran I
Peak:m/z	Relative Intensity
55.01886	0.8
62.27879	0.7
65.03947	1.7
67.05504	0.8
67.19823	0.6
69.03406	1.0
69.50563	5.2
79.05481	2.9
81.07034	1.6
85.02895	0.8
85.31879	0.6
91.05479	37.2
94.04182	2.5
95.04976	8.7
103.05476	3.0
105.07024	2.2
105.07729	0.6
107.04922	4.2
109.06490	2.0
114.31213	0.7
115.05457	1.2
117.07035	0.9
119.04943	22.8
121.06467	1.3
122.03645	4.7
123.04418	2.5
123.08067	1.1
128.06219	6.7
129.07010	21.0
131.04921	2.9
133.02881	0.9
133.06499	1.6
135.04402	1.0
135.08047	1.2
136.05229	4.7
137.05975	66.3
145.06497	2.5
146.07297	1.0
149.06039	1.0
149.07448	2.0
151.03915	3.2
151.07539	100.0
152.07877	1.0
156.05740	1.4
157.06474	14.6
158.07179	1.1
160.05223	0.8
161.05952	3.0
161.09593	1.7
163.07545	5.8
165.05664	1.2
165.07024	2.4
167.08589	0.9
174.06760	12.6
175.03871	0.9
175.07510	6.2
175.09926	0.8
178.07758	3.0
179.08658	1.3
183.08125	0.7
189.09102	60.5
190.09572	1.2
193.06479	1.1
193.10114	4.8
194.07295	0.9
195.08148	1.0
197.06029	0.9
202.07852	1.4
203.08525	3.0
206.07172	1.2
207.08133	1.0
210.06804	1.3
219.08156	0.8
220.08958	1.0
221.06073	0.9
221.09599	9.0
223.07448	2.0
231.08083	1.2
235.07449	0.7
237.09125	0.9
238.09882	0.9
238.90410	0.7
239.10472	0.9
241.08531	1.0
249.09146	7.1
251.07082	1.0
252.07742	0.9
253.08908	1.3
253.12238	11.8
263.10699	0.9
266.09213	1.5
267.10019	1.0
269.08087	2.9
272.10510	1.0
281.11792	6.6
282.82614	0.7
284.10446	1.7
285.11197	1.2
313.10925	2.4
313.14313	33.2
313.18008	1.6
314.14874	1.3
315.96454	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	3.8
55.05509	10.3
56.05853	2.5
56.46028	1.2
56.96545	4.7
57.03410	1.6
57.07053	2.2
59.69866	1.0
67.05186	1.4
67.05503	15.6
68.05819	4.2
69.07065	14.9
70.07384	4.4
71.04984	1.8
71.50804	1.4
79.05488	11.9
80.05817	5.3
81.03400	1.9
81.07047	21.9
82.07372	6.5
83.04961	4.3
83.08610	3.4
84.05291	1.7
84.08947	1.2
85.06514	1.2
91.05480	12.9
92.05786	5.8
93.07034	11.7
94.07369	7.6
95.04939	6.2
95.08591	11.3
96.05286	2.7
96.08922	4.4
97.06504	2.7
97.10127	1.7
103.05484	6.2
105.07012	13.2
106.07400	7.6
107.04942	3.0
107.08595	7.5
108.05281	1.9
108.08907	3.4
109.06503	6.1
109.10128	4.6
110.06823	3.7
110.10488	2.2
117.06995	3.1
118.07314	2.5
119.08592	8.2
120.08903	5.0
121.06480	4.7
121.10159	5.9
122.06773	2.3
122.10452	3.1
123.08077	1.7
129.07019	1.8
131.04909	4.6
131.08536	7.0
132.08932	5.6
133.10156	7.7
134.10457	7.6
135.04416	1.9
135.07997	2.8
135.11732	1.7
137.06018	2.0
144.08913	1.4
145.10077	4.4
146.10432	4.3
146.99652	2.0
147.04460	1.3
147.08041	1.6
147.11652	5.8
148.05125	2.5
148.11992	5.0
149.05946	1.2
149.09619	2.7
149.13206	1.3
150.09918	1.6
150.13519	1.3
151.07445	1.3
151.11209	3.3
152.11511	3.6
157.10071	1.6
159.11703	2.6
160.08360	1.2
160.12033	3.3
161.09656	2.4
162.13593	1.8
163.07567	1.6
163.11115	2.3
164.11530	3.2
173.13194	2.1
174.13553	3.5
175.03932	3.5
178.13058	1.3
183.11696	1.3
185.04755	1.7
187.03879	2.2
191.14256	1.5
198.13603	1.3
201.12645	1.3
203.05768	2.4
216.14647	1.3
217.07397	2.8
219.13850	2.0
220.14195	2.3
234.19502	1.5
240.18274	1.8
247.20747	1.2
248.20886	2.1
255.88710	1.2
257.18967	1.7
258.19394	10.4
275.20071	14.6
276.20380	100.0
277.20609	2.0
280.09775	1.7
293.21097	4.1
294.21423	35.4
295.13351	1.6
297.03467	1.7
312.05634	3.7
312.32620	1.7
313.10614	2.5
331.15689	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1078
Annotation	Aeshynomate
Peak:m/z	Relative Intensity
55.01856	2.0
57.03440	1.0
61.02927	0.6
69.03431	1.0
70.06584	1.0
71.04971	0.9
71.49448	0.9
73.02898	2.6
77.35739	0.5
79.05492	0.6
81.63837	0.5
85.02892	2.6
91.05469	1.4
94.06549	0.8
97.02872	1.3
104.10713	0.9
117.05711	1.6
118.06550	3.9
120.08080	0.7
127.03918	0.8
130.06517	2.2
134.09624	0.9
136.07559	1.4
144.08112	1.0
146.06007	11.2
150.07719	4.4
150.09152	0.5
164.07089	3.1
172.07578	1.9
177.00690	0.6
178.08636	15.4
180.06494	1.4
182.68013	0.6
184.95879	0.5
188.06982	1.1
190.08641	2.9
196.09677	7.1
197.09972	0.6
200.36034	0.5
204.10185	5.7
209.12732	0.8
216.06558	2.2
218.07988	2.8
220.81256	0.5
222.11258	4.9
223.04150	0.6
234.07607	1.7
236.09164	1.7
238.07199	0.8
248.09204	6.9
250.10782	5.7
252.08646	1.8
262.07135	1.4
266.10211	7.5
268.11813	2.9
280.08163	4.2
294.09677	13.2
312.10757	100.0
312.13995	4.1
313.11118	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	311.2944
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92207	2.6
53.03948	5.6
55.01866	9.2
55.05508	29.0
57.07072	27.4
59.05010	3.1
67.05508	41.6
67.48904	2.2
69.03428	6.1
69.07069	51.3
69.56068	12.7
69.56485	3.7
71.05006	2.9
71.08631	22.6
79.05491	58.2
81.03418	16.1
81.06590	5.1
81.07060	76.3
83.04982	3.4
83.08624	27.0
85.02921	3.4
85.06544	15.7
85.10174	3.3
87.04459	3.1
89.03933	2.9
91.05476	29.0
93.07045	38.6
95.04974	10.5
95.05542	2.4
95.08607	61.4
95.09186	4.4
97.06506	16.0
97.10162	12.3
99.08090	11.2
103.05478	63.7
105.03353	3.3
105.07010	17.6
107.04949	28.8
107.08607	22.1
109.06521	4.0
109.10162	33.6
111.08106	11.5
111.11722	10.9
112.23086	2.5
115.05473	14.0
117.03376	2.8
117.07005	4.9
119.04983	2.5
119.08608	3.2
121.06512	10.6
121.10142	26.7
122.03654	4.2
123.11727	19.6
125.09648	2.7
125.13301	3.7
128.06212	10.1
129.07002	10.9
131.04933	25.9
131.08571	10.0
133.02832	7.4
133.10141	5.1
135.08041	4.4
135.11694	6.7
137.05986	36.0
137.13269	15.0
139.03859	2.6
141.06984	9.9
143.04967	3.7
145.06497	9.1
147.04433	8.0
147.11743	2.9
149.06004	8.4
149.09651	13.0
149.13263	5.5
151.08618	3.5
151.14841	4.7
153.06923	3.6
157.06505	15.6
159.04343	11.9
159.08040	4.0
161.02296	16.4
161.05997	9.9
163.03885	8.6
163.14868	3.8
164.07063	38.7
165.07057	9.1
167.07047	2.9
167.08611	6.1
169.06482	3.5
171.08104	2.8
173.02373	17.0
173.06026	15.0
175.07619	4.9
179.08588	2.5
181.06479	12.5
183.08069	8.1
185.05975	13.0
187.03937	16.0
187.07594	16.6
189.07155	2.4
190.07745	4.9
191.08533	17.2
193.06483	4.0
195.08186	3.7
197.06017	4.8
199.03900	26.5
199.07539	7.5
201.05473	11.1
203.03410	3.0
207.08092	5.4
208.08826	3.3
211.07565	5.9
213.05452	46.7
214.05875	3.7
215.07033	9.0
218.07265	7.0
219.08037	19.5
221.06111	2.6
223.07614	3.2
223.11116	4.1
225.05620	3.3
225.09088	3.6
227.07103	4.6
235.07544	5.6
236.08321	7.2
237.05435	3.4
237.09193	6.6
240.04221	5.6
240.07632	3.0
241.04729	2.7
247.07535	10.4
250.06285	4.4
251.07002	4.2
251.10724	25.3
253.08578	3.4
263.06985	3.0
264.07883	5.5
265.08591	8.4
267.11084	3.2
267.13748	19.8
268.06845	2.5
279.10217	21.7
280.11398	3.7
281.08102	5.2
281.28436	8.1
283.09760	6.4
283.13190	5.1
293.11685	11.8
293.28516	15.7
296.03064	13.4
296.10443	4.5
311.05545	28.5
311.09070	13.7
311.12769	100.0
311.16510	19.6
311.29401	9.5
312.05991	3.9
312.12393	61.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2943
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.9
54.76823	1.7
55.01881	12.7
55.05508	42.7
56.79051	1.6
57.03430	4.2
57.07074	11.2
58.43821	1.5
59.04992	1.7
65.03925	6.6
67.05505	86.1
69.03423	12.3
69.07068	55.4
69.58290	12.6
71.04977	7.7
71.08637	4.4
77.03950	2.9
79.05493	66.4
80.05806	2.7
81.03423	20.6
81.04527	3.5
81.07055	95.9
82.07364	1.8
83.04966	5.3
83.08617	27.4
85.02908	2.1
85.06553	9.8
89.03888	2.0
91.05477	51.2
93.07043	61.8
95.04971	16.6
95.08606	75.3
96.05260	2.4
96.08884	2.2
97.02888	2.4
97.06532	24.4
97.10172	23.0
97.98482	1.7
98.21500	2.8
98.24440	1.8
99.04424	3.1
99.08113	10.5
103.05473	16.6
104.06253	2.6
105.03387	3.8
105.07035	30.4
107.04948	11.3
107.08594	28.4
109.06508	5.8
109.10154	58.5
110.10471	1.8
111.04411	2.3
111.08102	4.5
111.11708	10.8
115.05447	17.9
117.03402	2.2
117.07025	13.1
119.04910	3.4
119.08579	17.4
121.02864	7.7
121.06509	8.4
121.10144	40.9
121.10983	1.4
122.03674	2.1
122.10515	2.6
123.04394	3.7
123.08040	3.2
123.11696	22.2
124.33193	1.7
125.02334	2.0
125.09599	9.5
125.13261	5.1
127.03883	2.9
127.11194	2.8
128.06216	13.7
129.07001	21.5
131.04909	13.5
131.08571	24.8
132.09341	3.8
133.02864	11.4
133.06488	1.8
133.10124	22.7
135.04399	3.8
135.08087	4.0
135.11711	8.4
137.05977	17.7
137.09621	4.2
137.13251	10.9
139.03893	2.4
139.05431	3.5
139.11232	2.5
141.06982	13.2
141.12769	1.8
143.04878	9.2
143.08572	2.8
145.02881	3.4
145.06514	12.7
145.10141	7.3
147.04439	11.5
147.11633	4.2
149.02321	3.1
149.05969	8.0
149.09621	32.4
149.13248	7.5
150.10387	3.0
151.08687	6.4
151.11223	4.7
151.14798	4.2
152.06216	3.9
153.06973	7.0
155.04910	4.1
155.06044	3.9
155.08557	4.1
157.06480	30.8
157.10141	2.7
159.04407	21.3
159.08003	3.3
159.11676	5.9
161.02353	32.3
161.05968	10.3
162.02655	2.1
163.03879	11.9
163.11148	4.5
163.14842	3.2
164.07030	3.8
165.05576	3.0
165.06979	9.7
165.16394	1.7
167.08565	4.6
168.05753	1.9
169.06480	12.5
169.10007	2.9
171.04425	6.7
171.08069	5.1
171.11755	1.7
173.02354	31.5
173.05969	15.9
173.11754	5.0
173.13286	2.5
175.03856	6.0
175.07581	4.2
175.14948	2.4
179.08569	5.9
181.06468	7.5
183.04364	2.0
183.08083	7.2
183.11601	2.0
184.05203	3.4
184.22287	1.9
185.05994	23.6
185.09717	2.2
186.06461	3.3
187.03914	32.2
187.07472	11.8
188.04272	3.8
189.05452	2.2
189.11186	8.3
190.07869	2.5
191.03328	2.6
191.08578	10.4
193.06494	2.5
195.07994	4.7
197.05966	6.6
197.09627	3.7
199.03891	41.4
199.07515	5.8
200.04230	3.5
200.99452	2.0
201.05443	10.5
203.03378	5.7
205.10054	2.1
207.08055	4.2
207.21155	2.0
208.08775	2.3
209.05971	3.0
209.09711	3.6
211.07590	8.1
211.11142	2.3
213.05460	100.0
214.05777	6.1
215.03506	2.3
215.06989	6.8
217.04872	2.5
218.07294	2.3
219.08015	13.9
221.09628	2.9
223.07549	3.5
223.10936	2.7
225.05458	7.6
225.09065	4.0
227.06978	5.7
236.08269	2.8
237.09097	4.3
237.22112	2.4
239.06953	2.0
239.14250	3.7
240.07732	2.4
241.04749	2.5
241.08630	3.1
247.07483	4.7
249.09181	1.9
249.12708	4.0
251.07007	2.6
251.10677	16.1
252.07446	2.3
252.11041	1.7
253.08493	2.9
257.18912	3.5
265.08344	1.9
265.12222	2.8
267.13791	53.5
268.07318	3.3
268.14163	6.1
275.20016	19.6
279.07047	1.6
279.10150	11.8
281.28287	2.5
283.09702	3.8
283.13165	5.8
293.11737	15.3
293.14963	2.6
293.21286	10.0
293.24161	2.1
293.28339	7.8
294.21500	2.1
296.03079	4.3
296.10132	3.4
299.75543	1.6
311.05734	14.5
311.09024	7.8
311.12717	81.5
311.16302	31.6
311.29376	2.0
312.12613	9.3
312.16309	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2941
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	2.0
51.47690	1.5
53.03931	5.5
55.01870	10.4
55.05510	35.0
56.96545	2.3
57.03436	2.6
57.07076	16.5
61.28999	1.5
65.03937	2.2
67.05501	55.4
69.03423	6.3
69.07065	68.6
69.22177	19.2
71.04984	4.3
71.08615	8.0
77.03899	1.6
77.59678	1.4
79.05489	44.5
80.65137	1.8
81.03410	11.7
81.07052	90.7
83.04967	5.3
83.08614	31.3
85.06536	10.6
85.10182	1.9
89.03939	2.3
91.05476	29.9
93.06492	2.9
93.07040	41.6
95.04976	9.9
95.08602	71.7
97.06525	32.8
97.10151	16.3
98.21476	3.1
99.08102	13.2
100.11249	4.0
103.05468	10.9
105.03402	3.3
105.07021	14.8
107.04966	5.8
107.08580	21.6
109.06523	3.3
109.10154	53.6
111.04397	1.9
111.08087	10.9
111.11729	11.8
113.09695	1.8
115.05428	9.9
117.03391	2.2
117.07021	6.2
119.08588	6.1
121.06505	4.8
121.10142	25.3
123.04431	2.3
123.08061	2.7
123.11697	23.3
125.09637	3.3
125.13278	6.3
127.11227	2.9
128.06235	6.7
129.06982	13.8
131.04912	8.3
131.08545	14.0
133.02873	6.9
133.06578	1.8
133.10150	10.5
135.08084	4.1
135.11690	5.9
135.20763	1.8
137.05977	19.4
137.13245	13.6
141.06982	16.9
141.11543	1.5
141.12772	2.4
143.04942	4.7
143.08562	2.3
144.08090	1.8
145.06532	4.1
145.10094	2.7
146.06046	2.5
147.04449	5.0
147.11688	2.2
149.05946	5.1
149.09612	18.1
149.13287	8.9
149.36522	1.6
151.14830	4.1
152.06152	3.1
153.07005	5.8
155.04884	2.2
155.06064	2.5
155.08543	2.7
157.06490	19.1
157.10046	1.7
159.04439	11.2
159.08069	5.7
159.11604	1.6
161.02336	16.8
161.06024	7.9
163.03967	6.6
163.11140	2.2
163.14835	3.5
163.57190	1.7
165.06978	6.7
165.16464	3.6
167.08537	3.1
168.13776	1.9
169.06398	9.1
169.07657	5.9
171.04410	6.6
171.08090	3.9
173.02336	19.4
173.05998	9.5
175.03922	2.6
175.07599	2.9
177.16379	2.0
179.08540	3.1
179.17987	2.6
181.06517	6.8
183.08076	5.6
185.05965	16.0
185.09665	1.9
186.06682	2.2
187.03920	17.0
187.07515	15.2
188.04514	2.2
188.07085	3.5
189.05402	2.7
190.07809	5.3
191.08569	7.8
195.08073	3.5
197.05959	8.5
197.09656	2.9
199.03876	19.6
199.07602	3.9
201.05440	8.3
203.03430	3.6
205.10172	2.6
207.08138	2.5
208.08809	4.2
211.07602	5.6
211.11215	2.2
213.05458	52.0
214.06049	3.5
215.03571	2.6
215.06801	14.7
215.10643	4.0
218.07213	2.9
219.08052	11.8
225.05534	3.7
225.09143	4.9
226.06412	1.8
227.06969	2.0
235.07542	3.0
236.08318	6.1
237.09152	3.1
239.14287	3.2
240.04326	2.5
240.07861	2.6
247.07579	6.2
248.08299	1.7
248.87338	1.9
249.12627	2.1
251.06989	3.2
251.10632	14.6
253.08681	4.2
264.07568	2.1
265.08859	2.9
265.12164	4.0
267.10849	2.6
267.13776	33.9
268.07413	3.3
268.14078	2.6
269.08057	3.0
275.20041	10.1
275.27597	2.6
279.06845	2.8
279.10117	16.4
280.10858	4.1
281.07889	2.7
281.28445	2.2
283.09674	2.7
283.13126	2.6
293.08774	2.5
293.11597	10.1
293.21191	5.5
293.28262	11.0
296.03207	7.1
296.10205	2.9
311.05624	13.3
311.09210	6.7
311.12808	100.0
311.16431	17.9
311.29437	6.6
312.13098	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	311.2579
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
50.31153	0.9
53.03931	1.6
55.01862	3.1
55.05512	63.0
56.05833	1.1
57.03166	1.1
57.03440	21.7
57.06806	0.9
57.07078	26.8
67.05508	9.1
69.07070	63.1
70.58138	2.0
70.58465	1.2
71.08245	1.0
71.08633	14.1
73.02920	2.2
75.45015	0.9
79.05494	4.6
81.07055	11.5
83.04980	1.9
83.08619	50.6
83.09121	2.4
85.10185	7.0
91.05461	1.0
92.88727	0.9
93.07044	6.1
95.08611	8.0
97.06551	5.9
97.10172	39.2
107.08590	4.9
109.10139	2.6
111.08099	1.9
111.11719	10.8
121.10157	7.4
123.11711	1.7
125.09617	1.4
125.13261	3.2
129.05547	1.4
135.11679	6.1
137.13223	1.2
139.11118	1.6
149.13258	1.8
157.91788	1.0
218.91530	0.9
219.21120	2.0
311.25803	100.0
312.26099	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	311.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	4.2
55.05505	32.2
57.03432	10.8
57.07074	16.1
59.09276	4.6
65.03925	4.2
67.05499	32.2
68.23279	3.9
69.07077	61.5
69.35496	4.8
69.35818	43.8
71.08616	6.8
79.05502	27.3
81.03376	6.7
81.07064	48.6
83.08619	23.8
84.36284	4.0
91.05454	31.8
93.07044	100.0
95.04969	47.0
95.08608	71.8
97.06527	25.4
97.10176	13.5
105.07040	67.2
105.27780	4.8
107.08603	47.7
109.06511	12.7
109.10161	26.9
115.59794	5.1
117.06996	14.7
119.08587	52.0
121.06525	18.0
121.10154	48.9
123.08090	15.4
123.11700	13.5
124.21815	4.7
129.07039	5.9
131.08575	18.5
133.10159	35.8
135.04468	5.1
135.08017	7.4
135.11688	20.4
142.07802	11.4
143.08524	11.8
145.10135	37.9
147.11682	15.3
149.09622	4.8
151.81003	4.9
153.05544	4.4
157.10158	25.9
159.11656	35.1
161.09642	15.1
161.13226	12.6
171.11700	18.9
173.13275	17.4
175.14819	10.9
177.16380	18.5
183.11716	7.0
185.13281	6.1
187.11166	7.3
187.14833	7.1
189.16296	6.2
195.11676	6.0
197.13281	5.3
199.14839	7.7
201.16490	11.2
203.17943	5.8
209.11670	6.5
211.14687	7.3
215.18143	4.8
223.14761	8.1
237.11211	10.7
237.16066	5.6
255.21121	5.1
284.95795	4.3
311.05765	6.0
311.23721	24.4
331.57153	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	311.2214
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
51.40828	2.6
51.69364	2.5
55.01851	3.0
55.05499	10.4
67.05500	23.4
69.07073	20.2
69.27447	18.1
69.27871	11.6
79.05479	10.9
81.07055	22.8
83.04956	4.4
91.05464	15.3
91.96294	2.8
93.07051	18.6
95.04952	3.5
95.08607	14.3
97.06478	2.9
105.07040	19.1
107.04984	4.1
107.08585	10.8
109.06503	9.0
109.10150	7.9
117.06993	4.9
117.59956	2.5
119.08572	10.3
121.06506	6.3
121.10148	7.1
123.08063	4.5
131.08554	7.5
133.10130	14.2
135.08011	4.2
135.11642	5.2
145.10094	10.5
147.08061	4.6
147.11661	7.6
151.11230	2.8
157.10054	4.7
159.11641	4.2
163.11186	4.1
173.13348	4.5
198.11035	3.3
219.14041	3.4
229.19466	3.3
257.18933	13.0
275.20071	100.0
276.20493	3.1
293.21063	32.9
299.31171	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	311.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	7.5
55.01862	8.8
55.05507	30.7
57.03421	4.2
57.07056	6.5
65.03916	4.1
67.05498	67.4
69.03413	7.3
69.07064	39.5
71.04980	6.1
71.08622	3.5
79.05489	51.8
80.05810	2.0
81.03410	11.6
81.07052	67.0
83.04964	7.0
83.08606	16.8
85.02871	1.5
85.06521	6.8
89.03905	1.8
91.04915	2.2
91.05476	44.2
93.06492	3.1
93.07041	48.2
94.07355	2.1
95.04964	11.5
95.08607	50.3
97.02875	2.3
97.06525	38.3
97.10158	17.9
99.04506	1.6
99.08070	6.6
103.05435	5.8
104.06219	2.5
105.03371	3.4
105.07024	29.2
107.04949	10.1
107.08576	26.1
109.06496	5.6
109.10155	38.8
111.04362	1.8
111.08064	5.5
111.11703	7.6
115.05433	11.3
116.06238	1.9
117.07043	9.3
119.08581	18.0
121.02799	3.1
121.06474	7.6
121.09350	2.6
121.10155	30.4
123.04386	2.3
123.08060	8.4
123.11692	12.0
125.02332	2.7
125.09605	10.3
125.13220	1.8
127.81769	1.6
128.06221	9.7
129.07005	13.7
129.93781	1.5
131.04900	6.3
131.08559	19.6
132.09367	2.0
133.02837	7.9
133.06462	3.7
133.10141	18.8
135.04390	2.3
135.08040	5.9
135.11644	7.1
137.05980	17.3
137.09587	7.0
137.13213	5.6
139.05406	1.8
141.06989	19.6
142.07581	1.6
143.04890	5.2
143.08545	3.7
145.02774	2.4
145.06479	7.7
145.10088	6.6
147.04372	5.2
147.11674	8.1
147.37624	1.7
149.05923	4.4
149.09602	22.7
149.13257	5.9
151.11113	3.6
151.14859	1.6
151.37161	1.9
152.06224	2.9
153.06966	3.3
155.04865	1.9
155.06017	2.1
155.08514	4.4
157.06497	14.2
157.10109	4.4
159.04424	13.7
159.08066	4.5
159.11678	5.7
161.02310	16.9
161.06001	8.6
162.03000	2.0
163.03888	7.4
163.11136	4.0
163.14809	2.1
165.07001	6.6
167.08493	2.5
168.05751	2.4
169.06445	11.8
169.10139	2.5
171.04376	4.6
171.08002	3.1
171.11650	1.7
173.02333	19.7
173.05923	10.1
173.11699	6.4
173.13164	3.4
175.03877	1.8
175.07562	2.4
175.11240	1.7
179.08528	3.7
181.06488	9.1
181.10056	2.7
183.08008	3.2
183.11600	2.4
184.05345	2.1
185.05963	17.9
186.06747	1.7
187.03876	19.1
187.07530	10.1
189.05486	2.3
189.11218	6.3
190.07687	3.8
191.08549	6.5
193.06499	3.3
195.08051	6.0
195.13728	2.2
197.05983	8.9
197.09673	1.9
198.06651	2.5
199.03920	22.0
199.07568	3.1
200.04346	1.9
201.05450	6.5
203.03397	2.3
207.08076	3.8
208.08791	2.8
210.06729	2.0
211.07526	5.9
211.11240	3.2
211.14566	1.7
213.05444	59.1
213.08876	2.3
214.05923	6.8
215.03362	2.2
215.06958	20.3
215.10593	2.8
219.08026	9.2
220.08423	2.2
221.05833	1.9
221.09683	2.1
223.07500	2.6
223.11131	2.8
225.05463	4.2
225.09013	5.0
231.11768	2.2
236.08284	2.2
237.09131	2.0
239.10597	2.6
239.14241	2.4
239.18048	3.0
247.07471	4.1
249.12723	2.2
251.10645	10.4
252.07545	1.8
257.19064	4.8
265.08423	3.1
265.12042	1.9
267.10480	2.9
267.13776	33.5
268.14056	3.7
275.20062	36.4
279.10107	10.7
283.09750	3.5
283.13144	3.3
293.11749	9.5
293.21091	13.0
293.28299	2.9
296.03076	5.8
311.05359	10.4
311.09106	10.4
311.12714	100.0
311.16321	14.4
311.22412	3.8
311.29449	6.0
312.09668	2.4
312.13126	8.1
312.16125	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	311.2215
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
53.03928	6.6
55.01862	18.3
55.05510	30.3
57.07069	35.8
63.38237	4.3
67.05515	25.8
69.07057	14.7
70.12067	17.9
71.04981	4.0
71.08626	7.0
79.05499	28.2
81.03413	10.1
81.07046	30.1
83.04991	26.6
83.08623	20.8
85.02886	5.3
88.07619	6.3
91.05472	18.8
93.07030	25.2
95.04959	67.7
95.08604	29.9
97.06525	9.5
97.10164	10.4
99.04454	5.5
99.08109	4.4
100.85936	4.1
105.07043	17.1
107.04960	20.2
107.08601	23.3
109.02928	4.7
109.06502	11.8
109.10143	9.8
111.04445	60.7
111.08067	9.4
117.06982	7.4
119.08585	11.4
121.06500	4.7
121.10150	13.8
123.08077	5.5
125.05961	8.7
125.09643	7.1
127.07433	4.2
131.08553	8.4
135.04503	4.4
135.08025	5.3
135.11688	11.0
145.10094	10.7
147.11604	4.7
149.02333	24.6
149.09627	17.4
153.05470	16.1
155.10648	6.8
159.11661	4.4
163.11099	21.8
167.28302	4.3
173.13301	4.2
181.12291	6.6
189.11288	8.7
191.10684	11.8
193.04933	38.2
196.62445	7.4
205.12239	4.7
209.11725	95.2
223.13269	39.2
224.65570	11.4
225.25420	4.4
237.11203	88.8
252.33163	3.9
255.12314	18.7
256.10855	4.4
275.20099	38.9
293.17819	8.0
293.21057	100.0
294.21381	5.3
296.03024	12.7
311.05173	25.2
311.12869	4.4
311.21658	5.7
311.24561	54.9
311.74759	22.5
330.61682	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	311.2213
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
51.01139	0.5
52.07953	0.5
53.03926	1.0
55.01867	2.5
55.05238	0.7
55.05508	13.6
57.03427	0.7
57.07071	5.1
63.95326	0.5
67.05499	7.6
69.03403	1.9
69.07060	4.8
71.04973	0.8
71.08627	10.0
73.74990	0.5
79.05482	6.1
81.03428	0.8
81.07045	7.5
83.04968	2.4
83.08613	8.0
83.33376	0.5
87.62406	0.5
91.05466	3.4
93.07040	5.1
95.04958	3.2
95.08587	4.2
97.06525	1.1
97.10168	11.4
98.20760	1.5
99.08089	5.3
105.07025	2.4
106.19740	0.5
107.04953	3.0
107.08590	3.9
108.05711	0.6
109.02846	1.0
109.06499	1.3
109.10147	1.9
111.04433	3.5
111.08061	0.8
117.07040	0.8
119.08554	1.7
121.06498	5.4
121.10126	1.8
123.08083	1.0
125.06014	0.9
125.09613	6.8
131.08559	1.7
133.10130	1.8
135.04393	0.6
135.08015	1.4
135.11691	1.6
137.13211	0.9
145.10129	1.6
149.09581	1.0
151.11139	1.8
153.05446	2.1
159.11713	1.0
163.11157	1.3
164.11893	0.6
165.12704	0.9
173.13261	0.7
177.12782	1.8
181.12282	1.1
187.11229	0.6
189.11180	3.6
191.10617	1.1
209.11688	12.0
210.11954	0.7
223.13242	0.7
235.84491	0.6
237.11223	10.7
240.04095	0.9
240.25896	0.6
246.04665	0.5
247.20514	1.0
255.12247	1.9
257.19064	1.5
275.20001	7.5
293.21082	100.0
294.21432	3.1
296.03082	2.9
297.03439	1.1
311.05374	5.3
311.12885	1.3
311.16443	0.8
311.25992	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2215
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
53.03941	8.0
55.01875	12.4
55.05508	46.5
57.03436	12.7
57.07075	42.7
58.19640	4.8
62.66440	4.6
64.28864	4.8
67.05509	74.5
69.07074	55.8
69.38040	25.4
69.38451	17.3
70.06586	6.5
71.04993	15.2
71.08639	6.1
79.05494	51.3
80.06332	4.7
81.03432	9.6
81.07063	97.3
83.04984	22.3
83.08633	26.8
85.06519	10.0
88.07658	6.9
91.05479	41.5
93.07043	76.8
95.04961	27.1
95.08610	68.7
97.06519	18.1
97.10172	21.9
98.20759	9.4
99.08067	5.8
105.07047	40.7
107.04946	9.2
107.08591	45.7
109.02859	4.9
109.06521	13.2
109.10160	37.3
111.04414	18.0
111.08064	16.8
117.07046	11.3
119.08582	40.6
121.06528	10.3
121.10131	34.4
123.08051	13.1
123.11703	11.1
125.09650	17.4
129.06979	7.1
131.08572	19.6
133.10133	30.8
135.08057	12.7
135.11697	11.5
137.09613	15.5
139.11188	17.9
139.57394	5.4
145.10161	22.9
147.11699	19.6
149.02342	18.0
149.09641	19.1
151.11221	11.5
153.05551	13.2
157.10152	6.1
159.11737	10.2
163.11192	18.9
181.12280	7.6
189.11198	7.5
193.04997	34.3
196.62581	8.5
200.20070	5.9
203.12785	15.5
209.11739	71.1
217.11990	5.0
223.13307	13.1
224.65646	8.5
237.11234	52.9
239.17966	9.0
242.75665	5.3
255.12331	9.5
257.18948	17.0
265.21774	7.9
275.20065	100.0
280.11877	7.4
293.17737	8.8
293.20999	51.1
296.03177	15.5
311.05392	42.6
311.12646	10.9
311.24689	56.6
311.74725	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2214
Annotation	12S,13S-Epoxy-9S-hydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03679	1.5
53.03942	4.0
55.01867	13.5
55.05509	67.8
57.03424	4.3
67.05502	32.3
69.03429	9.3
69.07067	15.2
71.04996	3.9
71.08627	19.0
71.11366	4.2
79.05494	28.4
81.03416	25.9
81.07050	40.0
83.04977	19.6
83.08614	42.2
85.02900	2.7
85.06509	1.9
91.05478	19.4
93.06477	3.0
93.07033	24.3
95.04967	33.9
95.08598	14.2
97.06530	4.3
97.10168	35.5
99.08086	19.6
105.07037	14.3
107.04944	6.6
107.08580	26.3
108.72713	1.7
109.06508	4.9
109.10146	12.0
111.04449	13.2
111.08094	8.2
117.06998	4.7
119.08552	9.4
121.06511	3.9
121.10143	8.2
123.08081	3.2
123.11736	2.9
125.09622	30.9
131.08553	8.6
133.10143	5.8
135.08064	6.5
135.11684	10.7
137.09662	2.9
139.11128	2.5
145.10095	10.9
147.08009	2.3
147.11694	6.5
149.09625	12.9
149.13257	3.6
153.09105	4.8
153.12759	3.5
157.10103	4.5
159.11752	2.3
163.11174	53.8
165.12759	6.2
167.10684	5.4
171.10179	3.0
175.11215	4.1
177.12767	5.1
181.12183	4.9
183.13708	2.4
185.11642	3.9
189.11214	19.2
193.12256	16.2
195.13806	23.6
205.12193	2.9
211.13289	11.3
223.13283	13.1
229.19505	2.4
247.20567	5.8
249.22102	3.3
257.18964	6.8
275.20044	27.1
278.17648	2.3
293.21100	100.0
294.21283	4.8
299.52951	1.8
311.12860	2.4
311.22241	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	311.2214
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
52.56413	8.1
55.01854	21.1
55.05514	75.9
57.07081	19.5
67.05504	92.3
68.32265	10.3
69.07073	71.5
69.21498	85.3
71.05001	10.0
79.05489	61.3
81.03389	14.8
81.07072	91.9
83.04958	23.1
83.08627	66.9
85.69056	10.4
91.05483	36.8
93.07050	62.6
95.04954	55.2
95.08598	63.4
97.06524	16.3
97.10162	29.7
98.21494	15.1
105.07020	36.9
107.08595	62.2
109.06519	16.8
109.10170	30.4
111.04443	34.4
111.08084	19.4
119.08587	32.4
121.06523	12.8
121.10136	32.4
123.08069	13.4
124.61447	10.4
125.05998	10.3
125.09590	26.1
131.08585	23.0
131.82182	9.3
133.10124	22.8
135.08086	16.2
135.11694	38.9
145.10126	37.3
149.09618	37.4
161.16499	10.3
163.11194	28.2
165.12801	11.9
175.20491	9.6
179.74689	9.8
181.12209	15.8
189.06836	9.3
189.11230	18.7
209.11705	27.2
223.13348	50.3
237.11241	24.0
257.18970	16.5
275.20038	100.0
293.21115	94.4
296.03009	20.3
303.28485	8.9
311.05493	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	311.2211
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
53.45313	2.9
55.01861	11.9
55.05278	3.4
55.05507	44.1
57.07067	24.8
67.05492	24.1
69.07054	14.8
71.04968	4.0
71.36301	5.9
79.05492	26.0
79.88038	3.0
81.03393	4.3
81.07051	22.4
83.01904	3.3
83.04985	26.1
83.08614	25.4
85.02884	4.1
89.64912	3.0
89.95222	3.0
91.05466	13.4
93.07032	23.8
95.04958	59.7
95.08589	10.4
97.06525	7.4
97.10186	15.4
99.04443	7.7
105.07036	15.2
107.04934	10.9
107.08589	30.1
109.02857	5.1
109.06480	5.2
109.10144	8.1
110.96034	3.2
111.04444	44.4
111.08051	12.3
117.06992	8.5
119.08550	11.6
121.10089	16.1
123.08045	4.1
125.05948	10.5
125.09617	17.1
130.73419	3.3
131.08604	9.0
133.10132	8.9
135.04395	3.8
135.11713	7.3
137.09554	3.5
145.10150	22.6
147.11673	7.7
149.09610	36.9
153.05502	20.8
158.65309	3.1
159.11629	3.8
163.11183	30.8
171.11674	3.9
181.04921	3.7
181.12216	19.6
189.11197	25.0
191.10645	19.3
205.12163	3.5
209.11703	100.0
210.12106	5.0
223.13297	62.6
229.19505	4.7
237.11208	92.5
237.14813	5.1
239.18011	3.5
255.12161	21.0
257.18878	8.6
275.20062	63.4
293.17844	6.9
293.21082	71.3
311.22034	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	311.2215
Annotation	12S,13S-Epoxy-9S-hydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03954	6.1
55.01883	11.7
55.05503	40.0
56.54769	4.7
57.03438	6.1
57.07072	57.0
61.31280	5.6
67.05503	48.6
69.07062	25.6
70.12547	5.3
70.25801	19.2
71.05002	7.3
71.08636	11.7
79.05499	37.7
81.03416	13.6
81.07056	50.0
83.04980	22.4
83.08615	17.9
91.05495	37.3
93.07044	37.1
95.04959	22.2
95.08617	32.3
97.06518	16.4
97.10193	16.1
102.09219	8.6
105.07034	34.6
105.90725	5.0
107.04935	7.9
107.08608	32.7
109.06513	10.0
109.10171	23.8
111.04441	33.1
111.08078	8.3
113.05966	5.4
113.60511	5.2
115.38337	4.9
117.06972	10.4
119.08553	28.4
119.48314	4.8
121.06527	10.1
121.10110	29.3
123.08083	10.2
123.11681	7.8
125.05994	9.2
125.09620	7.7
126.13197	5.8
131.08582	15.6
133.10123	21.9
135.04434	5.0
135.08075	6.5
135.11696	18.0
135.26984	5.6
137.09613	8.0
143.08652	5.5
145.10141	21.4
147.07973	6.0
147.11702	19.7
149.02332	18.5
149.09621	15.6
151.11079	7.4
153.05501	23.1
157.10149	10.0
159.11725	9.5
163.11224	14.3
171.11731	6.4
173.13258	9.7
181.04924	5.6
181.12267	19.0
191.10716	17.3
193.04984	24.2
194.03696	6.2
197.13301	6.6
209.11720	100.0
213.05502	5.4
223.13197	10.8
237.11191	93.6
240.04163	14.5
247.20689	6.3
255.12267	19.9
257.19089	8.1
275.20026	54.3
276.51047	5.8
283.09726	7.3
293.20956	39.5
296.02921	46.5
311.05347	90.4
311.08310	5.8
311.12796	19.0
311.20374	10.7
311.24478	68.3
311.74670	17.5
312.05832	12.8
331.43826	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	311.1278
Annotation	7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one
Peak:m/z	Relative Intensity
53.03939	0.8
55.01867	0.7
65.03935	0.5
66.91844	0.5
67.05499	1.1
69.03436	1.7
69.07055	1.0
70.46179	1.5
79.05495	3.0
81.03403	1.3
81.07050	4.7
84.08134	0.5
85.02905	0.7
85.06588	0.5
91.05470	2.5
93.07091	0.6
94.04180	5.6
95.04953	2.4
95.08609	2.3
95.09132	0.4
97.02913	0.5
99.04462	1.5
103.05471	1.0
105.07045	0.7
107.04968	2.2
109.06520	3.5
115.05443	0.5
122.03648	9.6
123.04456	0.6
129.06984	0.5
131.04956	0.6
133.06482	0.6
135.04420	2.3
137.05981	100.0
138.06323	2.0
144.05705	5.1
145.06438	0.6
149.06013	3.0
151.03902	0.8
153.05475	0.6
155.04901	1.5
157.54611	0.5
159.08029	0.8
161.05948	1.6
165.07030	0.9
172.05199	8.2
172.58757	0.5
173.05885	0.7
180.09445	0.6
180.73622	0.4
181.06349	0.6
182.08212	0.9
187.07542	33.5
188.08095	2.0
189.06972	1.2
190.07739	4.2
191.08562	8.9
192.08986	0.7
195.06464	0.5
195.08116	0.6
197.05960	0.5
201.07048	0.5
202.07626	0.6
205.06587	0.5
207.08051	1.9
208.08823	3.4
211.07547	0.7
212.04802	0.7
218.07248	4.5
219.08051	16.9
220.08716	2.4
221.06070	1.8
221.09476	0.5
222.06914	0.7
225.05492	1.4
225.09038	1.2
227.07010	1.8
233.09636	1.9
234.06841	0.5
235.07509	2.8
236.08342	5.9
237.09122	1.4
238.06380	0.5
240.07816	5.6
247.07574	11.8
248.08270	2.9
249.05463	1.3
250.05882	0.4
251.10698	13.2
252.08569	1.0
252.10988	0.8
253.04897	0.6
253.06084	0.5
253.08617	3.9
255.06589	1.7
255.10133	0.5
261.09058	2.7
263.07043	1.1
264.07806	5.3
265.08618	2.0
266.05753	0.5
268.07294	6.3
270.08850	3.8
279.10159	25.0
280.10870	3.7
281.08081	3.5
283.09644	16.8
284.09991	1.3
293.11453	1.2
293.14261	2.0
296.10373	5.7
311.05261	1.2
311.12735	39.5
312.13721	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1275
Annotation	7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one
Peak:m/z	Relative Intensity
55.01865	1.8
65.03931	0.9
69.03409	1.3
69.98244	4.1
79.05490	4.6
81.03428	1.1
81.07049	2.7
81.25075	0.8
85.02907	7.2
87.04476	4.1
88.04807	0.9
91.05484	4.7
93.07026	1.7
94.04189	4.6
95.04987	2.0
97.81197	0.9
98.21437	1.2
103.05458	6.5
105.07038	6.9
107.04961	5.0
109.06520	5.9
115.05456	3.3
116.06212	0.8
117.07030	0.8
121.06499	3.5
122.03654	9.7
128.06216	2.5
129.07024	5.2
131.04942	3.5
131.08598	2.2
133.06479	6.6
135.04408	2.6
137.05978	100.0
138.06377	1.8
144.05687	4.7
145.06516	1.5
146.03581	0.9
149.05975	6.0
151.07489	1.5
155.04932	7.6
155.06009	1.0
156.05672	1.7
159.08076	6.7
161.05962	13.0
163.03944	2.1
164.07111	6.6
165.07251	7.2
172.05205	1.9
175.07550	3.7
177.07002	0.8
179.08578	2.5
180.09274	1.2
181.06480	1.9
182.08154	9.6
187.05884	1.7
187.07550	29.7
189.06987	7.1
190.07780	27.0
191.08557	53.2
192.08897	1.9
193.06514	1.9
195.08096	1.3
201.06995	1.5
202.07761	1.9
203.08572	2.2
205.06471	3.6
207.08049	7.3
208.08865	7.8
211.07561	1.4
215.08597	0.8
217.06494	1.4
218.07281	17.5
219.08054	66.9
220.08696	7.6
221.05978	3.9
221.09595	1.0
223.07788	1.2
223.91022	0.8
225.09149	2.6
231.07935	1.1
233.09673	2.1
235.07538	10.7
236.08313	14.4
237.09166	3.2
239.07031	1.2
239.10657	0.9
240.07492	1.0
246.06805	2.1
247.07553	29.6
248.08246	4.6
249.05330	0.8
249.09088	1.7
250.06566	0.9
250.10472	2.0
251.10699	99.8
252.11253	5.0
253.08554	9.1
261.09174	2.7
263.06970	2.9
264.07828	9.8
265.08517	5.1
267.06476	1.4
267.10202	1.6
268.10864	2.1
269.12100	1.4
278.09280	1.6
279.10168	77.9
280.10617	6.4
281.08133	11.4
283.10004	1.9
283.13348	3.0
295.09705	2.0
296.10434	12.5
297.10895	1.1
309.11258	0.9
311.05423	3.1
311.09708	3.2
311.12793	91.9
312.10837	7.8
312.13409	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	311.1275
Annotation	7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one
Peak:m/z	Relative Intensity
50.38363	0.9
53.03931	1.5
55.01852	1.1
57.73425	0.9
60.98335	1.0
65.03935	1.5
66.04699	0.9
69.03418	1.1
70.89189	2.6
79.05485	2.6
81.03407	2.3
81.07028	2.4
91.05475	4.6
94.04186	4.7
95.04964	1.8
103.05458	2.4
105.07027	6.4
105.33867	1.0
109.06505	3.8
115.05437	2.4
117.07039	1.1
121.06429	1.0
122.03640	11.3
128.06190	1.7
129.06996	2.7
131.04897	2.4
133.02863	7.6
133.06458	4.5
137.05972	100.0
138.06335	1.8
144.05679	5.2
149.06004	5.1
149.07013	1.0
151.03946	1.7
151.07521	1.5
155.04892	4.7
157.06543	1.1
159.08047	4.3
161.05945	9.4
165.05492	1.6
165.06937	2.5
172.05193	4.6
175.07584	2.2
177.05463	1.5
180.09363	1.5
181.06425	1.1
187.07535	27.7
188.08055	1.2
189.07022	4.4
190.07730	11.5
191.07109	1.3
191.08546	26.3
197.05942	1.6
205.06511	1.5
207.08067	5.0
208.08769	5.0
218.07309	6.9
219.08049	39.2
220.08701	4.6
221.05948	1.8
227.06989	1.6
233.09563	1.6
235.07504	6.7
236.08264	7.8
237.09004	2.0
240.07828	2.9
247.07547	18.9
248.08266	3.0
249.05447	1.3
250.10249	1.0
251.10672	40.9
252.08585	1.8
252.11009	2.0
253.08710	4.7
261.09143	3.3
263.07031	2.0
264.07816	5.6
265.08585	3.0
267.10483	1.4
268.07291	3.0
268.11209	1.2
270.08960	1.9
279.10153	41.5
280.10782	5.3
281.07968	6.1
283.09650	9.8
283.12994	1.2
296.10449	7.0
311.12775	50.5
312.13278	2.0
330.91461	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96554	3.8
57.03434	4.5
58.97040	2.1
67.05517	16.2
67.32947	2.4
69.03416	6.5
69.78194	5.4
69.78605	11.8
71.04984	26.0
72.08132	2.6
81.03416	2.7
85.02901	53.7
85.06539	11.0
91.05485	2.8
93.07042	3.1
95.04970	7.8
97.02880	5.9
112.40990	2.1
113.06000	69.1
120.08101	100.0
131.07047	32.2
137.06015	4.4
137.72363	2.1
145.04953	4.6
147.04379	2.6
175.72063	2.4
178.08571	2.7
206.11726	3.8
241.15231	2.8
250.10750	67.5
266.10339	3.1
273.24060	2.9
295.04874	3.6
296.03116	4.2
310.09476	5.3
310.12787	46.6
310.16663	5.3
311.05432	4.4
311.12509	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	310.1646
Annotation	Fulvine
Peak:m/z	Relative Intensity
55.05489	1.0
57.03417	0.7
59.04979	1.7
65.36669	0.4
69.06738	0.6
69.07067	6.7
70.07033	1.0
70.07429	0.8
73.06558	3.3
74.74055	0.4
75.22123	0.4
87.04455	1.0
91.05453	1.2
91.28803	0.4
95.04955	0.4
97.06504	0.8
98.20834	0.4
108.08099	0.6
110.60046	0.4
117.05751	0.9
118.06536	5.6
122.13489	0.4
132.68547	0.4
134.09602	0.8
136.07584	1.9
139.02553	0.4
146.06007	25.4
147.06387	0.6
148.87872	0.4
164.07047	8.2
166.04964	0.4
178.08627	43.4
179.09103	0.5
181.07259	0.7
196.09683	51.0
197.10037	0.9
208.88933	0.4
210.11241	0.6
250.10800	0.9
278.13870	1.1
310.16470	100.0
311.13367	0.5
311.16812	2.6
333.99817	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.8
54.08599	1.3
55.01864	2.2
55.05515	33.7
57.03433	3.7
57.07074	12.0
59.05009	17.8
67.05511	35.5
69.03419	4.6
69.07072	84.6
70.15185	5.8
71.04979	6.1
71.08620	3.6
79.05496	18.4
81.03423	2.7
81.07059	100.0
82.07384	2.1
83.04982	4.2
83.08620	28.1
83.74181	1.3
85.02860	1.3
85.06542	17.8
85.10155	1.9
91.05486	11.0
92.95918	1.2
93.07046	33.7
93.47360	1.4
95.04957	4.8
95.08611	95.9
96.08928	1.7
97.06538	11.0
97.10168	13.8
98.20795	1.8
99.08099	15.9
105.07032	14.0
107.08607	28.4
109.02896	3.1
109.06506	4.0
109.10159	48.6
110.10541	1.6
110.63631	1.3
111.08084	23.9
111.11720	14.2
113.06011	5.1
115.05447	1.6
115.07519	1.5
117.07030	3.3
118.11584	1.4
119.08581	12.5
121.06517	2.0
121.10153	23.9
123.08079	3.1
123.11712	33.0
125.09617	3.4
125.13251	1.8
127.03896	1.8
128.06210	1.7
131.08563	3.1
133.10132	4.5
135.08099	2.2
135.11702	21.2
137.06015	1.7
137.09619	5.3
137.13271	21.6
139.11166	6.5
143.08537	1.7
145.10078	2.7
147.11694	5.4
148.08762	1.9
149.09644	2.7
149.13266	17.7
151.11111	2.2
151.14796	3.7
153.12730	5.0
157.10065	1.8
161.13274	6.6
163.14807	9.0
165.09126	3.8
165.12796	2.9
165.16388	2.2
167.14336	3.8
175.14844	1.9
177.16422	7.5
178.07721	3.4
189.06998	4.4
189.16405	2.5
191.17981	3.7
195.08070	2.2
203.08582	1.9
203.18039	2.0
205.06534	1.7
205.19539	1.5
206.07253	8.5
209.18996	3.1
217.06480	3.6
217.19489	2.1
219.08009	2.5
221.09583	5.5
223.07555	3.9
234.06738	8.2
235.07474	4.9
243.76854	1.4
245.05968	2.2
248.08382	2.4
249.09145	13.8
250.09785	3.0
251.06981	5.6
251.23730	2.4
261.25800	3.8
262.06274	5.2
265.08514	2.4
266.09308	5.0
273.18625	3.3
273.25854	4.1
277.08615	20.3
278.09067	3.1
279.06784	1.7
279.26828	4.4
281.11731	19.6
291.19681	6.8
291.26819	11.5
294.08771	6.8
309.07693	1.7
309.11148	32.0
309.14578	4.7
309.20865	1.9
309.27936	14.5
310.07419	2.9
310.11475	5.3
310.28104	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2785
Annotation	Labdenediol
Peak:m/z	Relative Intensity
52.49578	1.6
53.03932	2.0
55.01855	3.9
55.05510	26.6
55.06070	1.5
56.75274	1.3
57.03413	4.4
57.07077	14.0
59.04997	2.3
67.05505	31.4
69.03422	3.9
69.07066	57.0
70.07371	1.6
70.71241	3.9
71.04990	14.1
71.08636	7.1
73.06539	1.6
79.05484	19.7
81.03409	4.6
81.07053	100.0
82.07368	1.6
83.04959	3.0
83.08617	23.7
85.06544	10.6
91.05480	8.9
93.07040	27.2
93.07606	1.3
95.04936	4.1
95.08605	80.2
97.06510	7.6
97.10165	13.6
99.08088	15.2
105.07014	9.6
107.04916	1.7
107.08585	28.0
109.02869	6.2
109.06501	4.8
109.10152	54.6
111.08075	18.0
111.11742	7.1
111.12395	1.7
119.08556	5.0
121.06439	1.4
121.10138	18.8
123.08126	2.5
123.10839	3.1
123.11700	39.7
125.09624	2.8
125.13301	3.0
127.07535	3.2
127.11186	6.4
129.07031	1.7
133.10138	6.7
135.08066	3.0
135.11682	15.0
137.05946	2.4
137.09596	7.5
137.13251	10.8
139.11147	4.4
141.12721	2.3
147.04407	1.7
147.11705	8.7
148.08774	2.6
149.13254	16.7
151.11215	1.9
151.14812	6.2
153.12718	6.2
161.13197	5.7
163.14851	7.6
163.79567	1.5
165.09163	3.7
165.12735	3.5
167.14314	3.4
175.14848	2.3
177.05341	1.9
177.16429	4.1
178.07736	2.2
179.14328	1.6
189.06992	4.9
189.16368	2.1
191.18018	2.8
195.08011	2.4
197.18871	1.7
202.07681	1.5
203.18074	2.5
205.06487	3.1
205.19470	4.9
206.07335	8.8
217.06456	4.6
217.19508	2.8
218.07166	2.8
219.08096	2.8
220.08679	1.9
221.09520	4.5
223.07486	3.9
223.20578	5.3
234.06743	17.6
235.07407	6.0
237.09045	2.3
245.06175	1.5
249.09132	18.2
250.09691	4.6
251.07066	3.5
262.06174	7.0
263.07062	3.5
266.09290	3.7
267.13605	2.1
273.18387	1.8
273.25757	5.9
277.08585	42.0
278.08997	7.9
279.06396	2.1
279.26776	2.4
281.11746	13.1
282.12158	1.7
291.19528	5.7
291.26718	14.1
294.08868	6.6
309.11081	44.1
309.20615	2.5
309.27850	19.4
310.11664	5.1
327.23102	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.0
55.01849	6.4
55.05510	29.4
57.03409	5.2
57.07074	18.1
59.05003	17.1
61.94756	1.5
65.03929	1.9
67.05505	32.8
69.03415	4.0
69.07066	68.2
69.29986	3.2
69.30391	11.7
71.05000	11.4
71.08618	7.7
73.06525	4.6
79.05096	1.2
79.05494	15.2
81.03423	8.1
81.07053	100.0
83.04945	4.3
83.08623	31.2
85.06545	14.7
91.05476	14.0
93.06496	2.5
93.07039	29.1
95.04967	8.4
95.08604	86.9
96.08856	2.3
97.06544	8.7
97.10166	13.4
98.20770	2.4
99.04420	1.7
99.08091	12.2
105.07036	15.0
106.86031	1.7
107.04961	10.8
107.08582	31.1
109.02876	7.7
109.06501	5.5
109.10153	51.8
110.10467	1.6
111.04410	2.5
111.07406	1.7
111.08082	25.9
111.11718	7.0
115.05401	2.2
117.06967	1.6
117.09095	3.7
119.08591	11.2
121.10160	20.3
123.08032	2.6
123.10869	2.1
123.11707	36.2
125.09602	4.3
125.13209	3.4
127.03918	1.7
127.07524	2.2
127.11145	3.3
129.06940	3.3
131.04861	2.2
131.08533	1.8
133.06444	2.2
133.10057	5.8
135.04404	2.2
135.08002	3.2
135.11679	14.5
137.05891	2.0
137.09637	11.9
137.13246	17.3
138.05481	2.2
139.11201	2.5
147.04332	5.4
147.11618	7.6
149.09645	1.8
149.13263	16.5
151.11156	1.8
151.14755	5.5
152.06096	2.3
153.06984	2.3
153.12744	7.0
155.40211	1.4
161.05901	2.1
161.13194	6.5
163.14807	9.4
165.06961	6.4
165.09088	7.1
165.12735	8.6
167.14182	1.7
171.04228	2.3
177.05408	2.5
177.07014	1.6
177.16302	4.5
178.07661	11.0
179.08371	3.7
179.14229	2.9
181.06435	4.1
182.07237	2.5
185.05925	2.8
186.06679	3.4
189.06927	6.8
189.16405	2.1
190.07697	2.2
191.08470	5.0
191.17915	2.3
192.05676	1.5
193.06531	1.9
193.10168	3.4
193.15895	1.5
195.07994	4.4
197.05876	3.0
199.03844	3.6
202.07732	6.8
203.08505	7.2
203.17909	1.5
205.06551	7.7
205.19443	2.5
206.07237	11.7
207.08064	7.3
209.18987	3.5
210.06650	3.2
213.05342	2.9
217.04648	3.3
217.06433	5.7
217.19423	4.4
218.07199	6.6
219.08089	7.3
220.05092	3.5
220.08565	2.7
221.05856	4.6
221.09616	18.8
222.09903	1.9
223.07430	5.9
225.05455	2.9
231.08008	4.5
231.21040	1.6
233.05890	3.3
234.06755	18.4
235.07455	13.4
237.09010	2.7
238.06038	2.0
238.09866	2.2
245.05833	4.4
246.06535	2.7
247.07468	3.5
247.24062	1.8
248.08148	5.0
249.09074	29.4
250.06026	2.4
250.09882	3.6
251.07126	7.7
252.08006	1.8
253.08496	3.6
262.06097	6.6
263.06857	4.4
263.10559	3.9
265.08432	3.7
266.05588	4.6
266.09305	7.3
267.10400	1.4
267.13586	2.6
273.25613	6.6
276.07794	1.8
277.08615	31.9
278.09250	7.2
279.06415	2.6
279.10245	1.6
279.26883	2.7
281.08047	6.1
281.11581	33.1
282.11896	3.6
291.04611	1.5
291.10254	7.1
291.26855	17.4
294.08701	8.0
309.07458	7.0
309.11026	71.5
309.14069	5.6
309.27859	25.6
310.07129	4.3
310.11633	7.9
310.28271	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	309.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.1
55.01864	3.4
55.05275	1.4
55.05514	17.6
57.03420	3.4
57.07074	8.0
59.04990	2.1
65.03939	2.1
67.01888	0.9
67.05504	34.0
69.03413	3.7
69.07072	32.2
69.07413	0.7
71.04996	14.8
71.08608	2.0
71.51135	1.8
73.06553	1.3
79.05496	23.7
81.03425	8.9
81.07058	100.0
82.07355	1.7
83.04971	3.9
83.08624	13.4
85.02883	1.9
85.06536	7.7
87.77059	1.0
91.05476	11.5
93.07052	21.1
95.04958	6.2
95.08608	59.4
97.02903	1.1
97.06538	5.1
97.10166	7.2
98.98441	3.1
99.08099	14.9
103.05493	1.5
105.07038	9.5
107.04958	5.7
107.07890	1.3
107.08594	18.5
109.02882	7.8
109.06528	6.5
109.10160	42.8
110.03668	1.3
110.10429	1.5
110.19240	1.1
110.71667	1.0
111.04424	2.9
111.08080	5.3
111.11724	3.2
113.05992	1.1
115.05437	2.4
117.07018	3.6
118.06520	1.8
119.04903	1.8
119.08598	7.7
121.06524	1.4
121.10138	12.1
123.04404	1.4
123.08064	2.1
123.11711	23.4
125.02329	1.2
125.05880	1.6
125.09621	2.2
125.13268	1.7
127.03911	2.8
127.07543	1.5
127.11187	5.2
128.06207	3.5
128.15079	1.1
129.07007	15.9
131.04930	2.2
131.08546	2.0
133.10123	3.9
135.04480	1.5
135.08054	3.3
135.11696	13.0
137.05954	4.0
137.09624	10.1
137.13239	10.6
138.05508	3.7
141.06969	3.9
141.12732	3.4
144.05743	1.3
145.06445	2.9
145.10081	2.2
146.05994	3.3
147.04411	4.3
147.07994	1.4
147.11659	2.8
149.05934	1.5
149.09680	1.8
149.13264	11.0
151.14833	3.0
152.06241	2.9
153.07004	3.2
153.12723	8.0
157.06488	3.1
161.06012	1.8
161.13251	2.5
163.03857	1.6
163.14813	3.7
165.07018	5.9
165.09108	7.3
165.12709	1.4
167.08467	1.7
167.14330	1.8
169.06516	5.1
171.04416	2.4
171.08066	1.2
172.05199	1.3
173.05965	3.5
173.13213	1.0
175.14777	1.4
177.07031	1.5
177.16396	4.0
178.07600	10.7
179.08487	4.1
181.06471	4.3
185.05983	4.1
187.04031	1.7
189.05437	1.8
189.06950	9.9
190.07735	3.3
191.08577	5.5
191.17996	2.6
192.09262	2.0
193.06429	2.0
193.10062	2.3
193.19551	1.6
195.08031	7.4
196.09734	1.1
197.06009	4.1
197.19072	1.2
198.06586	1.9
199.03896	1.8
199.07533	2.2
201.05493	6.4
202.06145	1.3
202.07724	5.1
203.08627	6.3
203.17950	1.9
204.08910	1.2
205.06427	9.6
205.19519	5.1
206.07275	20.2
207.08040	7.4
209.09500	1.5
211.07533	5.0
213.05467	6.5
213.08952	1.2
217.06543	7.0
217.19521	2.3
218.07233	7.4
219.08054	9.1
220.08818	5.3
221.06131	1.9
221.09637	15.2
222.06726	1.7
222.09976	1.4
223.07570	9.5
223.20544	2.1
225.05501	3.2
225.08995	1.5
226.06210	1.7
227.06972	2.4
230.07117	1.2
231.08058	4.8
233.05948	3.2
234.06758	30.8
235.07468	14.2
237.08987	2.2
238.09822	3.5
239.06853	2.8
240.07878	3.1
241.08585	1.3
245.06012	5.0
247.07549	4.6
248.08366	6.3
249.09123	34.3
250.06494	1.3
250.10632	16.2
251.07060	14.4
251.10867	1.2
252.07446	1.4
253.08659	1.5
253.11823	1.3
261.25784	3.0
262.06284	10.0
263.06967	5.0
263.10559	1.6
263.14017	3.0
264.07751	1.5
265.08585	6.7
266.09305	11.5
267.09879	1.4
267.13879	1.8
273.18408	2.0
273.25601	1.5
276.07590	1.4
277.08603	57.7
278.09116	8.5
279.06509	6.2
279.09888	1.7
279.26831	5.9
281.08447	2.1
281.11743	39.6
282.12027	4.5
291.10083	4.2
291.13528	2.3
291.19427	5.0
291.26874	6.1
293.07797	1.6
294.08804	17.2
295.04825	2.8
309.11163	85.0
309.14655	24.3
309.20602	3.5
309.27789	8.5
310.07300	4.5
310.11777	12.2
310.15802	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2422
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
50.11154	1.5
53.03929	5.0
55.01857	4.3
55.05275	1.6
55.05511	23.4
55.57388	1.3
57.03418	4.6
57.07058	5.8
58.08109	1.2
63.10508	1.3
65.03947	2.6
67.05504	49.3
69.03421	2.6
69.07066	20.5
70.78481	3.6
71.04959	3.6
71.08248	3.1
71.08631	60.0
79.05492	45.0
79.05915	1.0
81.03413	8.0
81.07053	53.3
83.04966	15.1
83.08614	8.0
85.06524	3.1
91.05485	29.6
93.07039	60.7
95.04959	12.3
95.08611	37.4
97.06524	11.2
97.10152	4.1
97.97035	1.3
98.21062	2.2
99.08089	44.8
105.04497	1.5
105.07029	19.0
107.04953	8.8
107.08591	31.3
109.06464	2.5
109.10152	12.9
111.08061	3.0
113.09637	3.4
117.06996	5.0
119.08578	18.0
121.06463	1.6
121.10142	29.1
123.08040	3.0
123.11685	2.8
125.09591	2.9
129.06963	3.9
131.08553	5.6
133.10109	11.9
135.10699	2.7
135.11682	35.3
137.09634	4.1
141.09163	2.7
143.08568	2.3
145.10089	5.7
147.04410	2.0
147.11674	6.3
148.94052	1.3
149.13257	11.7
151.11182	20.6
153.12703	3.9
159.11676	3.2
161.09671	1.6
161.13245	11.1
163.11143	6.3
163.14841	2.8
165.12720	2.5
167.10667	2.7
173.13292	1.8
173.76544	1.4
175.14841	2.4
177.12738	4.1
179.14302	100.0
180.14624	1.8
185.13390	2.1
189.12724	1.9
195.13850	1.7
207.17430	2.4
221.15402	3.1
235.16827	3.3
241.19456	1.6
259.20535	4.8
266.04251	1.8
273.18506	2.7
277.21600	42.9
278.22122	2.4
291.19540	2.3
295.04767	4.8
309.24310	3.1
310.07266	6.8
329.66165	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2422
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	18.3
55.01870	8.2
55.05512	39.5
57.03433	8.6
57.07084	6.3
67.05508	76.7
69.03426	8.1
69.07069	44.0
71.04994	6.9
71.08636	4.5
72.87315	4.4
79.05500	42.1
81.03418	63.5
81.07061	63.5
83.04974	18.5
83.08613	17.6
86.54092	4.4
91.05471	25.8
93.07047	45.4
95.04964	49.7
95.08599	25.0
95.31907	4.5
97.06528	12.3
97.10181	9.9
99.08076	8.9
103.17656	4.1
105.07014	23.8
107.08602	27.2
109.06538	8.0
109.10161	25.1
113.09587	5.3
117.07015	5.6
119.08551	23.5
121.06566	4.4
121.10156	14.5
123.11709	8.5
125.09634	18.9
125.59708	4.7
127.39094	4.7
131.08553	9.5
133.10106	22.4
135.08070	6.8
135.11700	12.6
145.10110	6.6
147.04416	10.6
147.11703	34.5
149.13275	8.0
151.11197	45.0
161.13258	9.4
163.11185	6.5
163.14859	7.6
165.12746	10.9
171.11794	5.1
175.14790	6.4
179.14301	10.6
182.32301	4.6
193.12267	6.3
203.12708	7.7
207.13708	6.9
221.15483	5.7
231.21153	11.3
241.19629	8.2
265.52628	4.4
266.04544	6.5
277.21634	100.0
291.19601	13.2
295.04874	22.9
310.07156	48.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01825	3.5
53.03936	6.7
55.01870	5.5
55.05515	21.5
57.03439	8.6
57.07061	6.3
65.03929	6.2
67.05507	36.4
69.07069	25.8
69.19170	41.2
71.08626	5.5
79.05495	37.6
81.03398	3.4
81.07056	54.0
83.04960	5.4
83.08595	13.4
86.88612	3.3
91.05476	49.6
93.06513	3.5
93.07053	66.1
95.04971	47.2
95.08607	48.0
97.06501	12.9
103.05466	5.6
105.07028	82.0
107.04938	5.0
107.08600	41.5
109.06514	9.7
109.10163	25.2
115.05485	4.6
117.07019	14.2
119.08585	65.9
119.09403	7.4
121.06506	11.6
121.10144	82.7
123.08045	9.5
123.11700	7.6
128.06238	8.7
129.06989	13.4
130.07730	4.3
131.08575	35.6
133.10138	38.8
135.08043	6.6
135.11673	14.5
138.60564	3.3
141.07031	6.7
142.07753	13.1
143.08556	25.8
144.09329	5.2
145.10120	50.7
147.08032	5.4
147.11710	19.2
149.09618	8.4
149.13361	3.5
155.08553	17.0
156.09341	11.7
157.10115	34.9
159.11688	38.2
161.09592	9.7
161.13249	11.6
165.06989	6.2
167.08595	4.7
168.09340	6.7
169.10138	27.8
170.10925	8.1
171.11665	25.6
172.12453	4.5
173.09521	5.1
173.13301	22.0
175.14813	7.6
179.08586	6.0
181.10086	10.2
183.11699	17.8
185.13261	13.9
187.11195	14.6
187.14787	13.9
193.10060	7.8
195.11668	13.5
196.12408	5.9
197.13264	14.1
199.14806	12.7
207.11655	10.3
209.13261	13.2
211.14804	11.0
213.16330	7.3
220.12480	7.8
221.13313	5.0
223.14914	5.0
225.16370	12.9
235.14803	12.4
239.14366	7.6
239.17834	5.1
249.16455	7.3
253.15771	8.3
259.52576	4.1
265.19473	4.6
279.17590	3.4
279.21051	3.8
281.22729	9.9
289.10797	3.5
291.20993	13.5
295.04849	5.1
309.21936	100.0
310.07236	7.1
310.22406	4.4
313.44067	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2211
Annotation	Callyspongenol A
Peak:m/z	Relative Intensity
53.03942	4.7
55.01877	5.5
55.05512	19.6
56.17415	3.1
57.03424	5.6
67.05501	27.0
69.07057	14.5
69.85430	13.4
69.85838	5.3
71.04978	4.4
79.05495	22.2
81.03406	5.5
81.06643	3.9
81.07054	35.2
83.08607	6.3
91.05476	38.9
93.07046	71.4
95.04972	50.6
95.08612	33.1
96.20334	2.5
97.06525	17.6
98.21526	3.3
105.07030	69.7
107.04961	4.4
107.08581	35.5
107.28035	2.8
109.06497	10.8
109.10167	17.8
117.07035	14.5
119.08585	53.2
121.06472	8.2
121.10146	100.0
123.08040	8.7
123.11694	5.7
128.06206	8.6
129.06979	12.2
130.07799	5.5
131.08557	34.4
133.10118	40.2
135.11685	5.4
138.61298	3.0
142.07787	15.4
142.96481	2.8
143.08540	22.2
144.09332	7.7
145.10114	36.7
147.08023	3.7
147.11674	11.6
149.45265	3.0
155.08525	9.2
156.09332	9.9
157.10123	28.2
158.10858	4.5
159.11691	29.4
161.09602	6.9
161.13239	8.2
167.08568	3.6
169.10147	16.1
170.10927	5.4
171.11694	16.1
173.13263	15.8
175.11220	3.6
175.14838	4.9
179.08571	5.9
180.09418	3.3
181.10081	5.4
182.10934	3.6
183.11650	10.5
185.13254	11.2
187.11172	6.6
187.14836	11.8
189.12624	3.2
193.10202	6.2
194.10765	3.0
195.11763	6.0
197.13258	11.5
199.14763	12.5
201.16365	3.5
206.10880	3.8
207.11742	5.8
209.13245	8.6
211.14798	7.2
213.16365	5.2
220.61464	3.1
221.13274	4.7
223.14844	5.5
225.16380	5.8
235.14722	5.3
239.14323	3.9
239.17976	4.5
253.15923	4.6
253.19557	2.9
281.22610	7.5
291.21198	13.3
309.22040	75.4
310.22299	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	309.2058
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03932	6.6
55.01865	11.6
55.05507	54.2
57.03426	22.4
57.43389	5.1
59.04992	8.4
63.30759	5.0
63.90277	5.5
67.05503	59.3
69.03426	8.7
69.07079	26.7
71.04971	8.2
71.34581	12.5
74.52599	4.8
79.05486	61.7
81.03452	9.1
81.07053	100.0
82.33463	5.0
83.04991	12.4
83.08611	21.4
91.05471	43.1
93.07041	40.9
95.04961	21.6
95.08604	25.7
97.06514	13.1
97.10146	31.7
99.08088	11.4
105.07030	41.9
107.04931	27.6
107.08601	38.9
109.06508	37.9
109.10149	22.1
111.08066	10.5
117.06986	26.6
119.08572	52.0
121.06490	14.0
121.10128	21.6
123.08073	21.3
125.09613	27.6
129.06992	10.2
131.08548	28.1
133.10100	17.8
135.08063	9.7
135.11693	9.6
137.09622	12.6
145.10109	25.5
147.08051	23.9
147.11687	9.5
149.09612	12.0
151.11224	5.7
155.08437	6.5
157.10068	8.0
159.11685	11.0
161.09599	15.8
163.11195	11.0
165.09076	9.5
175.11200	11.8
182.15402	16.8
189.11188	25.1
193.12190	9.2
199.03877	5.4
210.14888	15.1
217.15813	6.9
219.13828	9.1
255.17451	7.6
273.18484	50.0
291.19510	82.0
309.11194	10.2
309.20367	14.9
310.07108	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	309.2059
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03931	6.4
55.01857	22.1
55.05514	54.4
57.03429	9.7
60.45004	6.4
64.36005	6.2
65.41024	6.0
67.05503	68.4
69.03419	11.8
69.07054	32.7
79.05489	55.2
81.03413	18.5
81.07053	89.5
83.04981	26.8
83.08604	25.5
90.69826	6.2
91.05477	44.8
93.07033	64.4
95.04955	50.2
95.08605	37.3
97.10171	24.6
103.32943	6.8
105.07024	36.7
107.04935	16.4
107.08599	24.8
109.02900	13.2
109.06503	13.0
109.10154	25.8
111.04443	25.3
111.08128	15.2
117.07012	25.2
119.08589	33.1
121.06521	11.2
121.10157	17.9
123.04425	11.9
123.08092	11.8
125.09621	29.1
129.07019	15.7
131.08594	15.1
133.10144	22.6
135.08063	8.6
135.11665	16.2
145.10095	25.5
147.04443	7.2
147.08028	16.0
147.11684	10.4
149.09637	14.1
153.12718	8.9
161.09621	12.6
163.11185	25.6
165.09058	20.0
171.11707	8.1
179.10735	8.9
181.12202	12.7
185.13274	7.0
189.11226	11.2
189.12750	7.8
190.40521	7.4
191.10699	8.6
223.13290	17.8
227.63142	7.2
235.13347	11.2
237.18456	7.5
245.19035	9.3
263.20114	8.1
273.18448	42.0
291.19501	100.0
309.16968	11.7
310.07108	13.2
331.51447	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	309.2058
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03939	4.7
55.01876	18.8
55.05510	35.6
57.03421	5.8
57.07064	5.5
62.70293	3.5
67.05504	81.8
69.03399	4.4
69.07059	26.4
69.88626	20.9
71.04971	7.4
79.05072	5.8
79.05489	52.7
81.03380	4.3
81.07053	88.7
83.04966	14.5
83.08614	10.6
83.65889	3.3
85.06542	9.1
91.05477	55.2
93.07044	58.8
93.31743	3.2
95.04958	15.5
95.08601	29.1
97.06515	9.8
97.10165	4.4
98.21431	5.4
99.42008	3.4
105.07024	57.9
107.04938	14.1
107.08598	60.9
109.06499	13.1
109.10159	87.5
111.04438	6.7
111.08064	9.6
113.05972	7.0
117.07026	7.3
119.08585	20.7
121.06487	14.3
121.10115	10.3
123.04409	5.9
123.08031	8.1
123.11701	8.1
125.09631	5.1
127.91698	3.3
129.07001	7.1
131.08549	16.1
133.06496	7.9
133.10124	100.0
134.10419	4.5
135.08057	9.4
135.11681	8.1
139.07518	8.9
143.08571	10.2
145.10107	12.8
147.08054	15.5
147.11635	9.1
149.09612	7.7
151.11183	67.9
152.11517	4.5
157.10135	6.6
159.11621	4.8
161.09615	15.2
163.11159	5.6
169.12215	17.2
171.11699	3.8
175.11188	4.9
177.09128	5.3
179.10661	3.1
189.12775	5.3
217.12303	4.5
245.18918	14.1
255.17393	8.3
263.20059	14.6
273.18536	31.9
291.19537	83.9
309.20602	33.9
325.28821	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	309.2059
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03942	14.2
55.01870	7.2
55.05509	10.5
57.03436	5.2
57.56731	2.1
67.05506	37.6
69.03431	4.6
69.07063	26.1
70.76236	7.3
71.04981	6.9
79.05490	45.1
79.83755	1.9
81.03418	20.9
81.07058	100.0
83.04968	8.9
83.08601	4.8
83.45758	1.9
85.06566	3.7
91.05477	32.4
93.07041	38.0
95.04984	18.8
95.08614	21.2
97.06512	8.6
97.10161	2.4
99.08083	5.2
100.51247	2.0
105.07030	20.2
107.04955	35.0
107.08570	14.9
109.06516	42.8
109.10155	5.1
111.04448	3.7
111.08069	3.9
113.05990	3.4
115.05404	2.5
117.07016	9.2
119.04987	2.9
119.08599	12.8
121.06498	5.7
121.10130	13.4
123.08065	7.3
129.06992	8.7
131.08566	10.8
133.06522	3.6
133.10112	10.7
135.08052	9.8
135.11687	8.7
137.09557	2.8
141.07004	2.6
141.43188	2.1
142.07758	2.1
143.08580	5.9
145.06493	4.9
145.10138	12.4
147.08067	5.1
147.11676	8.9
149.09593	11.1
149.13364	3.8
150.99057	2.1
157.10114	5.8
159.11658	5.8
161.09631	5.1
163.11191	8.9
165.09047	2.4
169.10075	2.5
171.11656	3.2
173.09622	5.8
175.11169	4.5
177.12726	4.7
185.02077	2.3
185.13252	2.8
187.11195	3.9
191.10727	3.6
193.12268	6.1
203.10646	3.3
205.12111	2.4
217.15950	2.9
219.13947	2.3
227.12984	2.7
235.13242	3.6
245.19148	2.8
263.19971	2.8
273.18506	11.9
291.19504	38.7
292.20233	2.7
309.20657	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	309.2058
Annotation	Soraphen O
Peak:m/z	Relative Intensity
55.01864	14.0
55.05507	10.1
57.03437	34.0
67.05503	34.1
69.03420	2.8
69.07057	6.5
71.05002	6.1
79.05476	22.9
81.03429	3.2
81.07058	46.1
82.16750	3.1
83.04976	12.6
83.08597	6.3
85.02940	3.9
85.06539	29.2
91.05481	18.9
93.07047	20.2
93.99804	2.8
95.04971	35.8
95.08630	13.2
97.10148	6.6
105.07024	13.0
107.04934	8.0
107.08596	13.5
109.06525	45.2
109.10136	6.0
111.04440	14.6
111.08065	5.6
113.06007	100.0
116.43634	3.0
117.07008	11.6
119.08602	14.1
121.06516	7.2
121.10152	8.3
123.08051	6.6
129.07011	5.2
131.08554	9.2
133.10175	4.7
135.08067	32.6
135.11659	4.6
143.08572	5.6
145.10158	10.8
147.08035	6.9
149.09627	4.5
153.12773	3.8
159.11732	3.6
161.09673	4.9
163.11168	10.0
165.09155	4.5
170.50395	3.2
179.58641	3.1
181.12283	6.4
191.10739	5.3
216.94994	2.8
217.15866	9.0
273.18518	20.4
291.00977	2.6
291.19513	68.9
294.13199	2.7
305.82220	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2057
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03941	3.6
55.01868	19.1
55.05512	21.3
57.03426	7.0
65.03938	2.9
65.60011	2.6
67.05506	36.1
69.03446	4.0
69.07053	10.1
71.03399	5.9
71.04980	8.7
75.09218	2.9
79.05069	4.7
79.05491	48.4
81.03434	6.3
81.06596	5.1
81.07059	83.8
83.04984	34.7
83.08625	15.1
85.02908	14.1
91.05470	22.1
93.07038	33.2
95.04984	17.3
95.08611	13.7
96.98404	2.6
97.06538	7.2
97.10163	12.2
99.04466	7.3
105.07032	14.9
107.04951	6.3
107.08569	16.3
109.06525	13.3
109.07165	3.0
109.10163	11.3
111.04435	51.0
111.08070	18.8
113.06014	6.0
117.07010	14.2
119.08585	31.8
121.06483	12.9
121.10162	18.8
123.08076	13.5
125.09628	6.7
129.07011	4.3
131.08560	11.7
133.06450	4.1
133.10114	6.2
135.08031	9.1
135.11688	12.8
137.09625	3.0
143.08577	6.6
145.06528	3.0
145.10120	22.2
147.08031	16.2
147.11688	3.4
149.09596	6.0
153.12709	15.0
157.10120	3.7
159.11760	2.8
161.09634	8.4
163.11208	20.2
165.09163	3.6
171.11754	3.8
173.09615	5.8
181.12274	16.7
181.13663	3.1
185.13225	3.0
191.10637	12.9
209.11792	3.2
223.13280	4.0
227.12796	9.0
227.17883	3.7
245.19151	4.0
249.14908	7.5
255.17430	6.4
273.18484	36.0
274.84326	2.8
291.19534	100.0
292.19919	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	309.206
Annotation	Soraphen O
Peak:m/z	Relative Intensity
50.78044	3.7
53.03939	13.1
55.01872	28.7
55.05517	33.0
57.03439	62.9
63.66888	3.6
65.03931	4.9
67.05507	84.3
69.03430	6.9
69.07071	31.1
70.97852	10.9
71.04999	22.2
79.05495	77.7
81.03424	41.6
81.07062	100.0
81.35532	3.9
83.04551	3.8
83.04970	24.2
83.08618	11.6
85.06536	16.5
91.05486	70.2
93.07056	71.8
95.04977	34.7
95.08612	67.0
96.48396	3.8
97.06539	69.0
99.04453	5.0
99.08105	37.4
105.07039	69.0
107.04971	30.9
107.08594	43.4
109.06507	42.0
109.10149	31.1
111.04453	42.4
111.08087	6.5
113.05991	8.3
117.07004	24.7
119.08566	43.9
121.06502	18.4
121.10129	25.2
123.08044	22.9
123.11682	7.6
125.09602	9.5
127.07549	15.0
128.06255	5.4
129.06995	15.7
131.08575	41.2
133.10143	46.3
135.08051	25.4
135.11708	19.1
137.09636	8.9
141.06940	5.9
143.08549	12.3
145.06487	9.3
145.10141	21.5
145.44044	4.3
147.08040	11.1
147.11670	7.1
149.09622	16.1
151.11168	20.5
153.09085	10.0
155.08629	7.0
157.10149	18.4
159.11711	18.7
161.09657	10.5
161.13112	4.9
163.11201	8.0
169.10173	5.1
171.11655	9.3
173.13268	10.8
175.11130	7.5
177.12709	8.6
179.10707	4.5
183.11816	4.8
187.11198	15.4
195.13716	4.7
201.12714	8.7
207.13785	6.3
217.15878	15.0
219.13837	10.2
221.15417	8.6
241.14491	5.8
245.18890	9.9
251.16234	8.0
255.17522	5.1
263.20096	6.5
273.18472	41.9
291.19550	96.5
292.19992	4.4
292.97339	4.5
309.11288	5.7
309.14780	5.9
309.20511	27.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2058
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03938	11.8
55.01871	14.4
55.05506	20.5
57.03432	7.0
60.61369	4.5
63.75240	4.3
67.05499	40.4
69.07064	12.9
70.13612	16.7
70.14006	8.9
71.04990	6.9
77.39310	4.2
79.05502	48.5
81.03419	16.9
81.07057	100.0
83.04972	23.8
83.08633	10.4
85.02894	7.0
85.06550	7.7
91.05476	31.8
93.07048	30.7
95.04974	18.7
95.08620	12.4
97.10171	17.7
99.04443	5.8
104.06383	4.5
105.07024	20.4
107.04951	15.4
107.08589	26.1
109.06528	35.8
109.10155	13.0
111.04430	46.2
111.08088	15.5
113.06028	7.7
117.07042	11.9
119.08575	36.1
120.93941	4.4
121.06517	11.1
121.10155	16.5
123.08084	17.5
125.09574	4.5
129.07007	5.5
131.08591	18.0
133.10078	6.8
135.08043	16.6
135.11685	11.9
143.08585	9.2
145.10162	25.0
147.08047	14.9
147.11685	4.8
149.09613	4.8
153.12776	12.3
156.60117	4.4
157.10124	8.0
159.11717	7.9
161.09650	8.6
163.11156	21.3
165.09158	5.7
173.09726	5.5
181.12299	15.0
189.11174	6.3
191.10667	12.9
218.88411	5.4
227.12697	6.4
249.14836	8.9
255.17514	5.5
273.18430	27.7
291.19528	98.8
309.20715	7.1
310.07053	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	309.2055
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
54.16756	1.4
55.01862	4.1
55.05278	2.0
55.05510	25.4
55.86897	1.4
62.17017	1.4
62.20065	1.6
67.05502	14.6
69.03419	3.9
69.07061	8.8
69.19323	10.0
69.19749	6.9
79.05070	1.7
79.05488	15.2
79.82153	1.5
81.03405	3.0
81.07052	20.3
81.40591	1.5
83.04961	4.5
83.08604	14.9
91.05476	9.1
93.07021	9.7
95.04955	5.5
95.08618	8.4
97.10160	20.7
105.07015	7.3
107.04915	3.2
107.08583	8.4
109.10137	3.4
109.80830	1.5
111.04407	2.6
111.08057	1.5
115.61404	1.9
117.07016	2.7
119.08566	6.2
121.10093	2.5
123.08067	8.1
125.09631	16.7
129.07007	1.7
131.08525	4.9
132.74608	1.7
133.06418	1.9
135.08067	2.8
135.11652	3.1
145.10129	3.6
147.08057	3.3
147.11676	4.5
149.09558	1.4
165.09137	2.7
167.03413	1.7
173.46559	1.5
188.92555	1.5
189.11191	12.2
217.36513	1.5
223.13255	2.3
223.30151	1.5
245.18990	2.6
255.17349	2.0
273.18433	14.0
291.19507	100.0
292.19858	5.5
309.20490	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	309.2056
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
51.84039	2.6
53.03935	7.2
55.01873	16.9
55.05508	56.0
57.03431	8.7
57.20578	2.5
66.91825	2.8
67.05504	55.2
69.03423	8.8
69.07065	31.0
69.37522	19.7
69.37921	4.5
71.04972	5.8
71.68716	3.0
79.05030	3.0
79.05489	51.1
81.03399	14.2
81.07052	100.0
83.04985	16.5
83.08618	30.2
85.02886	5.7
85.06561	5.9
91.05486	28.5
93.07042	38.2
95.04961	28.4
95.08595	33.5
97.02871	3.3
97.06525	18.2
97.10155	30.8
99.08067	6.6
105.07023	29.4
107.04955	9.3
107.08585	34.9
109.06503	10.9
109.10157	17.0
111.04431	20.8
111.08094	11.5
117.07010	10.7
119.08558	23.7
121.06493	8.6
121.10123	13.3
123.08049	39.5
124.51786	2.4
125.09627	37.5
129.07002	6.6
131.08565	14.0
133.06505	3.5
133.10132	14.4
135.08043	7.4
135.11681	11.6
137.09605	11.9
139.11137	3.5
143.08563	4.7
145.10097	13.6
147.08057	9.7
147.11684	11.0
149.09612	6.3
153.09125	3.5
153.12724	7.0
157.10185	5.5
159.11659	5.1
161.09627	6.7
163.11159	27.4
165.09102	11.1
173.11792	2.7
175.11220	3.9
181.12193	7.9
189.11209	25.5
189.12715	4.6
191.10739	5.2
193.12259	12.0
211.13275	5.5
217.15834	3.7
221.15381	3.2
223.13144	5.2
227.12846	7.0
227.18015	3.5
245.18985	4.6
255.17522	2.5
273.18484	26.8
291.19510	82.8
309.11417	4.4
309.15033	3.0
309.20663	26.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1331
Annotation	11beta-Hydroxycurvularin
Peak:m/z	Relative Intensity
53.03947	11.2
55.01872	2.4
55.05513	8.0
57.03433	3.3
61.21489	1.5
65.03949	1.7
67.05502	40.4
67.05846	2.9
69.03439	5.9
69.07076	4.4
70.55930	3.6
71.04985	3.4
77.25358	1.6
79.05499	11.4
80.67257	1.5
81.02936	3.0
81.03416	50.0
81.07053	50.4
81.07529	2.6
82.04211	2.0
83.04995	5.6
87.04470	3.4
91.05479	7.2
93.07069	4.8
95.04969	8.8
95.08611	14.6
97.02899	7.8
97.06536	3.2
99.04472	3.4
99.08106	2.2
103.05453	1.7
105.07072	5.1
107.05003	4.4
107.08591	10.7
109.02879	70.9
109.06544	6.1
109.10154	70.8
110.03654	12.1
111.04459	12.9
113.06043	1.4
115.05490	1.6
117.07032	2.5
117.52463	1.4
119.08589	3.8
120.71765	1.4
121.06534	2.6
121.10185	2.3
123.04467	2.1
124.05211	2.3
125.02323	10.5
125.06043	2.6
126.03165	2.2
127.03915	21.0
129.07034	2.0
131.08580	1.9
135.08046	27.4
137.06049	6.0
137.09619	82.2
145.10155	1.8
147.04381	1.4
147.08110	1.8
147.11755	2.0
149.09686	1.9
153.09108	1.8
155.10713	3.3
161.05957	2.0
163.07581	8.5
164.07132	5.9
165.09116	52.3
168.85831	1.5
177.09169	1.6
181.08755	2.3
183.10318	1.8
189.07076	1.9
189.12877	2.2
194.13805	1.5
199.11299	1.7
206.07231	2.1
217.12401	2.1
221.09789	2.2
234.06921	6.6
235.07736	1.7
245.11862	3.5
249.09105	7.8
250.06618	1.6
250.10863	8.1
251.07086	1.8
251.11575	1.7
256.09424	1.5
263.13007	2.7
266.09323	2.5
273.11340	2.2
277.08545	10.7
281.09158	2.2
281.11691	7.5
291.12421	5.5
309.13498	100.0
310.13690	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.7
53.41267	1.3
55.01867	6.3
55.05519	16.5
57.03431	5.6
57.07070	2.4
59.04998	1.4
65.03944	2.2
67.05507	48.6
69.03436	6.5
69.07069	18.4
71.04993	5.8
71.51839	1.8
79.05067	2.4
79.05492	22.5
81.03419	29.2
81.07057	57.2
83.04978	8.2
83.08636	9.1
85.06547	4.9
91.05483	30.2
92.06264	2.7
93.07047	21.0
95.04969	10.5
95.08610	31.9
96.08910	1.3
97.02890	4.0
97.06542	5.3
97.10174	6.3
99.04464	4.9
99.08094	4.1
101.06042	2.7
103.05463	2.2
105.03378	2.8
105.07022	20.9
107.04963	11.3
107.08606	19.3
109.02882	44.9
109.06497	7.8
109.10157	57.3
110.03669	5.9
111.04482	8.4
111.08091	6.2
115.05473	5.7
117.07017	5.9
119.04929	2.7
119.08585	18.7
120.05713	7.6
120.09410	1.7
121.06483	3.9
121.10165	10.7
123.04449	1.4
123.08043	6.8
123.11700	7.2
124.05216	1.6
124.98917	1.3
125.02344	7.8
125.05960	2.0
125.09613	4.5
126.03133	2.7
127.03914	11.0
128.06262	1.4
129.07025	6.7
130.07780	2.0
131.04970	2.3
131.08583	6.5
133.02832	2.5
133.06511	3.5
133.10146	6.2
135.08058	18.9
135.11646	6.3
137.05983	5.9
137.09622	52.5
137.13263	2.6
141.06961	2.7
143.04865	1.6
143.08513	1.5
145.06490	3.2
145.10153	3.3
147.04413	4.0
147.08044	13.2
147.11676	4.2
148.08832	100.0
149.09657	10.9
149.13260	2.2
153.07001	2.3
153.09109	2.1
153.12729	2.5
155.10699	3.1
157.06534	1.7
157.10103	2.5
158.88530	1.9
159.04460	2.2
159.11688	1.7
161.02335	5.5
161.06059	1.5
161.09587	2.0
163.03917	5.2
163.07545	5.6
163.11244	4.1
165.01976	1.4
165.07027	2.1
165.09128	34.3
169.06474	2.1
171.11653	1.7
173.02368	24.1
173.05969	1.9
175.03917	3.4
175.11227	1.6
178.07784	4.9
179.08582	2.0
181.06427	2.8
183.08032	1.9
183.10127	1.7
185.05943	2.6
187.03941	2.9
189.06999	6.6
189.11201	4.6
189.12766	1.8
190.07756	2.3
191.08727	2.1
191.91911	1.5
193.10373	2.2
193.12260	1.9
195.08119	2.0
197.05984	4.4
199.03915	8.9
202.07805	2.5
203.08632	2.9
205.06503	5.1
206.07248	10.3
207.08122	4.1
210.06749	3.0
213.05478	7.4
217.06560	2.6
218.07428	3.1
219.08002	5.1
221.06029	2.2
221.09592	7.9
223.07597	5.7
225.05444	7.3
231.07968	2.3
233.06017	2.3
234.06670	15.3
235.07568	7.3
235.11220	1.7
237.09164	2.6
238.09695	2.0
239.07024	2.2
240.07777	9.0
245.06044	2.2
245.11839	2.7
247.07631	2.4
248.08354	4.1
249.05354	2.9
249.06673	1.7
249.09140	19.3
250.09882	2.2
251.07140	9.2
253.08597	3.1
261.09033	1.9
262.06317	6.2
263.07098	2.6
263.10675	2.1
263.20029	1.7
265.08643	4.7
266.09406	7.2
267.10080	1.8
273.09006	2.5
273.18518	5.6
277.08627	37.7
278.09442	3.7
279.06531	4.4
281.08517	3.1
281.11725	35.8
291.09906	10.9
291.19482	11.1
291.26755	2.6
294.08899	11.6
309.11133	57.1
309.13690	36.8
309.20663	3.4
309.27704	3.5
310.11594	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0495
Annotation	(2alpha,3alpha,4beta,5alpha)-(+)-7-Bromo-2,3,4,5-tetrahydro-4,5,8-trimethyl-2,5-Methano-1-benzoxepin-3-carboxaldehyde
Peak:m/z	Relative Intensity
56.96564	37.0
69.03413	7.8
69.18510	4.4
69.43781	11.4
69.44184	25.2
72.46488	4.0
73.02898	7.8
84.08153	7.5
98.97583	24.2
101.00920	6.3
110.26357	4.8
116.98628	13.3
119.01904	9.9
124.99113	8.1
134.99562	9.9
143.00119	25.8
145.03503	11.6
157.03482	13.8
158.02388	5.0
161.01222	21.0
170.99622	10.4
185.01219	16.7
185.02951	8.7
186.54306	4.4
187.02769	6.1
189.00716	24.1
203.02289	13.1
203.04005	8.4
204.88957	19.6
207.01776	6.6
220.06862	9.6
221.05139	31.7
221.53572	5.6
223.03160	4.9
231.01756	18.9
239.06152	49.7
241.03883	6.8
246.90063	5.4
247.54509	5.7
249.02837	19.5
263.02911	22.3
263.06134	75.9
267.03745	13.7
272.29932	4.7
279.05399	28.2
286.04312	5.4
291.03812	51.2
301.01962	5.6
301.25137	4.8
308.90149	7.9
309.05154	100.0
327.07532	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	309.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.3
57.03420	1.3
67.05502	1.4
69.03419	2.4
69.07069	1.1
70.06602	1.4
71.04987	1.9
71.51142	1.5
72.08138	1.6
73.02907	0.7
79.05479	3.3
81.03431	1.7
81.07052	1.6
83.04976	4.2
84.08121	1.9
85.02905	4.2
85.94527	0.7
86.09701	1.7
89.03909	5.1
90.00191	0.7
91.05473	3.4
91.50951	0.8
93.07041	1.8
95.04964	2.0
95.08597	1.8
97.02866	2.6
99.04458	0.9
103.05486	1.3
105.03399	1.1
105.07043	1.9
107.04932	5.0
107.08631	0.9
109.02897	1.7
109.06532	1.0
109.10223	0.8
111.04422	3.9
115.05463	0.9
117.03379	9.5
117.07012	1.6
119.04937	2.4
120.08087	0.8
121.06528	1.0
123.04441	3.0
124.07594	1.4
127.03875	0.9
129.05476	1.6
129.06973	1.1
129.10359	1.0
133.02826	1.5
133.06456	1.4
135.04413	18.3
136.07584	1.3
138.09222	0.8
145.02840	10.1
145.06474	1.7
147.04373	8.6
147.08029	1.3
148.50623	0.9
151.03935	2.2
152.07086	1.3
161.06033	1.3
163.03903	100.0
164.04279	1.9
175.07516	1.0
177.05424	1.9
181.04922	0.9
203.07001	0.9
217.04962	2.9
220.43008	0.8
234.07092	1.1
243.11111	1.5
249.09186	1.5
251.07001	1.3
260.11508	1.5
261.12360	1.3
273.07587	1.0
273.12332	1.6
277.08545	2.7
291.08560	4.0
291.13342	3.4
294.08887	1.9
295.04883	0.9
309.11078	6.5
309.14508	3.9
309.17603	0.9
310.06851	1.2
310.12720	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.2218
Annotation	Dihydrocapsaicin
Peak:m/z	Relative Intensity
53.03942	0.4
55.01854	0.3
55.05508	0.7
57.07064	0.5
58.02940	0.3
59.05004	0.4
67.05489	0.9
69.07059	1.1
69.28816	0.2
70.04067	0.5
70.23486	0.9
71.08612	0.7
79.05482	1.1
80.58910	0.2
81.07053	2.8
85.10215	0.3
88.07641	0.4
91.05474	1.2
93.07025	1.0
94.04189	2.4
95.04977	0.6
95.08607	1.2
105.07043	0.8
106.78922	0.3
107.04941	0.8
107.08586	0.5
109.06501	0.9
109.10145	0.3
119.08584	0.5
121.10152	0.4
122.03652	6.6
133.10117	0.3
135.08046	0.5
136.08331	0.3
137.05975	100.0
138.06345	1.3
138.07285	0.3
165.12737	0.3
172.16962	1.3
184.16924	2.2
193.12329	0.5
272.08023	0.3
290.18115	0.3
291.19913	0.6
291.23212	1.4
308.09561	0.2
308.22632	0.8
308.25854	0.6
328.15045	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2629
Annotation	Trixagodiol C
Peak:m/z	Relative Intensity
50.30202	0.8
53.03937	2.0
55.01849	3.1
55.05509	9.3
57.03415	1.5
57.07064	3.0
65.03917	1.3
67.05499	18.1
69.03410	3.1
69.07063	29.4
69.38246	3.6
69.38683	3.7
70.06574	2.4
71.04976	2.5
71.08594	1.2
77.03950	1.1
79.05486	14.4
81.03386	1.4
81.07050	100.0
83.04993	2.2
83.08610	5.5
85.06523	3.6
86.09707	4.7
89.03892	0.8
91.05480	11.9
93.07036	43.6
95.04959	5.9
95.08603	26.5
97.06520	10.3
97.10157	3.1
99.04428	1.0
99.08070	2.3
105.07011	14.5
107.04954	2.3
107.08583	37.4
109.02885	1.1
109.06519	10.2
109.10152	21.3
111.08067	23.6
111.11731	5.1
117.07003	1.9
117.41975	0.8
119.08597	4.7
121.06526	1.9
121.10134	8.8
123.08051	2.5
123.11689	28.2
124.99976	3.1
125.09571	1.1
131.08510	2.3
133.06476	0.8
133.10115	21.3
135.11679	3.8
137.09636	1.3
137.13266	5.3
139.11166	13.2
145.06540	1.1
145.10133	2.1
147.11658	5.4
149.05981	0.9
149.13264	4.6
151.11162	46.2
153.12706	1.9
159.07935	1.1
159.11708	2.0
161.13231	1.6
163.03874	2.0
163.14810	3.2
165.12744	7.3
167.07130	1.2
169.12202	6.1
173.13269	1.4
175.14807	2.8
177.16364	2.2
184.07341	7.3
189.16307	1.7
201.12704	0.9
201.20319	1.0
203.17741	1.0
205.06519	1.0
207.17517	1.7
208.08839	1.1
218.07220	1.5
219.08031	4.0
220.08620	1.3
221.05957	1.3
235.07576	1.9
236.08386	2.4
245.22903	4.0
246.06702	1.5
247.07523	1.9
247.13242	1.7
251.10687	3.5
263.06992	1.4
264.07813	3.3
271.24271	2.7
277.25189	1.6
279.10172	1.9
289.25211	9.1
292.07159	1.8
293.07846	1.5
307.09671	11.1
307.26321	37.8
308.10126	1.9
308.26627	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2631
Annotation	Trixagodiol A
Peak:m/z	Relative Intensity
53.03933	2.5
55.01866	2.7
55.05510	11.9
55.83351	0.7
56.96553	1.4
57.03443	1.4
57.07081	5.9
59.04995	3.4
65.03941	1.7
67.05505	26.5
69.03423	4.8
69.07066	52.1
70.41196	3.1
71.04984	2.8
71.59948	0.7
77.42905	0.8
79.05492	16.2
81.03414	1.2
81.07054	100.0
83.04981	2.0
83.08614	6.4
85.06541	8.3
85.49464	0.7
91.05464	10.7
93.07041	41.2
95.04958	6.8
95.08603	55.1
97.06524	11.6
97.10182	3.3
99.04474	0.7
99.08089	2.8
101.06026	2.8
103.63468	0.7
105.07025	18.4
107.08586	35.9
109.02879	2.4
109.06511	9.1
109.09399	1.0
109.10150	21.9
111.08082	22.5
111.11723	10.9
113.06023	0.7
117.07016	1.3
119.08568	8.4
121.06527	2.4
121.10143	16.8
123.08058	2.8
123.11700	27.5
125.09632	2.2
127.03883	1.3
127.11161	1.1
131.08606	2.4
133.10127	17.2
135.08022	2.0
135.11681	6.0
137.13255	15.0
139.11172	16.1
145.10101	2.2
147.08009	1.1
147.11694	8.8
149.13261	8.0
151.11174	34.7
151.14796	1.5
153.12724	2.3
159.07977	1.0
159.11685	2.2
161.05980	1.2
161.13254	2.4
163.14815	2.8
165.12753	10.3
167.14342	1.6
169.12256	3.2
173.13307	1.7
175.14787	2.0
177.16377	1.6
181.15829	0.7
183.13873	0.8
187.14880	1.1
189.07034	0.8
189.16370	1.4
190.07797	0.9
191.08505	1.3
191.17908	1.0
201.16383	0.8
203.17813	0.9
207.08186	0.8
207.17436	1.1
215.17847	1.8
219.08101	2.2
234.09053	0.7
237.18611	1.0
246.06686	1.3
247.07518	2.1
249.05441	1.3
251.10667	1.8
264.07849	2.6
267.08987	2.4
271.24203	1.8
275.06821	1.0
277.25143	1.2
279.10104	2.1
285.10071	4.6
289.25241	9.4
292.07324	1.4
307.09613	7.4
307.26300	27.2
308.10626	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.263
Annotation	9-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
51.67841	1.1
53.03942	2.5
55.01870	2.7
55.05513	16.5
55.52631	1.0
57.03423	2.2
57.07085	8.2
59.05010	1.8
64.67508	1.0
65.03962	1.6
67.05505	36.0
69.03429	2.5
69.07070	25.6
69.26736	2.6
69.27139	8.4
70.06613	1.5
71.04996	13.5
71.08638	1.5
73.06554	2.3
74.77129	1.1
79.05487	11.5
81.03388	2.4
81.07056	86.6
83.04975	1.6
83.08601	8.2
84.08119	1.2
85.02901	7.1
85.06542	6.6
86.03250	1.4
87.04471	23.1
91.05463	7.3
93.07047	27.8
95.04977	5.4
95.08604	100.0
96.08904	1.2
96.40603	1.2
97.02870	1.3
97.06520	7.1
97.10147	3.3
99.08054	3.2
105.07032	13.5
107.08588	31.0
108.04457	2.0
108.08133	2.6
109.02880	3.9
109.06514	3.8
109.10160	27.2
111.08083	18.6
111.11744	2.2
114.04528	1.2
117.06996	1.6
118.06508	3.9
119.08581	8.7
121.10139	16.9
122.06067	2.0
123.08057	2.1
123.11704	48.1
124.03905	1.6
124.07574	1.8
125.09592	2.3
127.11201	4.7
131.04947	2.1
131.08537	2.2
132.95880	1.5
133.10130	6.8
135.08122	2.6
135.11676	9.6
137.05965	1.3
137.13255	36.3
138.09198	2.9
139.11183	5.1
141.11707	1.1
141.12737	2.0
144.04483	1.7
145.06485	1.5
145.10114	2.3
146.06021	7.4
147.11676	11.1
149.13263	20.7
151.11122	6.4
151.14754	1.8
153.12738	4.8
159.11699	4.1
161.13260	3.7
162.05484	1.8
163.07506	1.6
163.14809	3.7
164.07082	2.3
165.05444	2.5
165.12758	6.1
169.12207	2.5
173.13245	1.5
175.07579	1.4
175.14912	1.7
176.07101	2.5
177.16382	1.6
178.08632	13.6
179.10431	1.1
183.13773	1.5
187.14787	2.7
190.05014	1.8
198.96939	2.2
201.16397	1.8
203.17964	5.1
207.17465	1.9
219.08070	1.2
219.17532	1.5
222.07607	3.9
233.19128	1.5
237.18541	5.6
238.10696	1.3
239.07460	2.1
247.07639	1.5
248.09219	1.4
255.06662	1.2
264.07785	2.4
264.12305	2.6
271.24118	3.1
279.10135	1.8
289.25198	7.9
290.42758	1.3
290.74567	1.3
292.07410	1.4
307.09659	7.3
307.12930	2.2
307.17081	2.1
307.26294	22.9
308.11301	25.0
308.18597	1.9
311.54260	1.2
316.79355	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.263
Annotation	9-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
52.88393	0.7
53.03930	1.8
53.06855	0.8
55.01870	2.0
55.05510	19.8
57.03427	1.7
57.07069	7.5
59.04992	2.9
59.47636	0.8
65.03925	1.2
67.05144	0.7
67.05503	20.3
69.03418	6.0
69.07064	100.0
70.07387	1.1
71.05004	3.8
71.08620	2.8
71.50037	1.3
73.02925	1.3
79.05489	14.6
81.03426	1.0
81.07051	91.8
82.07395	0.8
83.04980	3.2
83.08612	15.7
85.06534	9.1
89.90794	0.6
91.05473	10.7
93.07040	40.9
95.04946	3.6
95.08604	56.9
97.06512	8.7
97.10151	5.5
99.08098	3.7
103.05510	0.8
105.07027	58.7
106.07279	0.8
107.04962	1.3
107.08588	29.8
107.09317	1.5
109.02852	1.3
109.06518	10.2
109.10151	23.4
111.08086	7.0
111.11716	24.5
111.12455	1.4
113.09660	0.7
117.06992	2.0
119.08574	22.8
119.09372	1.4
121.06483	1.1
121.10139	49.5
122.10506	1.2
123.08077	3.6
123.11700	36.1
124.15659	0.7
125.09641	2.7
125.13248	1.5
127.07528	1.1
131.08607	2.3
133.10120	5.6
135.08055	0.9
135.11685	10.1
137.09630	2.1
137.13248	8.7
139.11166	24.0
141.12700	0.9
145.10149	3.3
147.11678	31.5
149.13245	8.6
151.11169	7.7
151.14821	2.9
153.12727	8.0
159.11710	2.4
161.13280	2.5
163.03889	0.9
163.11116	1.2
163.14830	3.3
165.07033	0.8
165.12747	41.8
167.14328	4.0
169.15923	1.3
173.13226	2.2
175.14832	2.6
177.12733	1.3
177.16389	2.1
179.14307	1.3
183.13731	3.7
184.07440	1.2
186.06772	0.7
187.14789	1.1
189.06970	1.2
189.16394	2.3
190.07823	2.0
191.08536	1.4
191.17979	1.4
193.15915	2.0
201.16409	1.6
203.17931	1.5
205.06487	0.8
207.08115	0.9
215.18015	2.3
218.07240	2.6
219.08012	5.1
220.08855	1.1
221.06053	1.0
234.06683	0.8
235.07530	2.6
236.08240	2.0
245.22603	1.0
246.06659	1.2
247.07462	3.1
249.05591	1.0
251.10628	3.4
263.07037	1.6
264.07858	5.2
265.08450	1.6
271.24176	4.0
277.08551	0.9
277.25275	3.6
278.09222	0.9
279.10062	3.3
286.64310	0.8
289.18341	0.9
289.25272	16.4
292.07306	2.3
293.08044	1.8
307.09607	14.2
307.13144	1.1
307.26291	37.0
308.10565	3.0
308.26593	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.2
55.01854	3.4
55.05510	13.4
55.63015	1.0
57.07076	7.1
59.04980	3.1
59.34845	0.9
64.48100	0.9
67.05507	12.8
69.03448	2.2
69.07066	100.0
70.06596	1.9
70.07407	1.1
71.04979	4.0
71.06912	1.3
71.08620	2.5
71.51743	1.6
79.05492	6.8
81.07051	43.9
83.05001	1.5
83.08611	6.3
85.06546	2.1
91.05457	4.6
93.07036	16.5
95.04970	2.5
95.07980	2.1
95.08598	35.7
97.06516	7.0
97.10149	4.1
99.08099	1.9
105.07024	8.2
107.04942	5.9
107.08589	15.0
109.02842	1.2
109.06536	1.6
109.10149	23.2
111.08121	2.3
111.11714	24.5
115.05475	1.5
117.06973	2.0
119.08584	6.9
121.02847	2.0
121.10133	15.2
123.08053	1.4
123.11699	13.6
124.64993	1.2
125.09606	3.2
127.11172	3.4
128.06151	1.3
129.07021	1.1
131.04929	1.1
131.08534	1.5
133.10144	4.4
135.04454	1.0
135.11707	6.8
137.13232	4.7
139.11177	21.5
143.08498	1.4
145.06445	3.3
145.10069	1.4
147.11685	4.2
149.13268	10.5
151.03767	1.0
151.11195	3.1
151.14845	2.7
159.11665	2.7
161.13251	4.5
163.14815	3.6
165.06981	4.3
165.12772	2.9
171.04384	2.1
173.13251	2.6
175.07590	2.7
175.14813	3.0
177.16371	2.0
178.07799	4.6
179.08493	2.4
181.06433	1.9
185.05949	1.5
186.06758	6.4
187.14810	2.3
189.07019	7.6
189.16344	2.1
190.07771	6.9
191.08531	10.3
192.09280	1.3
193.06544	1.0
194.07292	2.1
195.07999	2.0
201.16393	1.8
201.20470	2.6
202.07826	3.7
203.08554	2.8
203.17944	4.4
205.06464	4.6
206.07245	5.7
207.08037	10.7
208.08748	6.7
215.08569	1.2
215.17885	2.2
217.06567	1.3
218.07239	12.3
219.08037	25.2
220.08777	13.9
221.06027	5.6
221.09390	1.9
223.11191	2.0
231.07913	1.6
233.05928	1.8
233.09624	2.4
234.06767	4.6
235.07541	21.3
235.53339	1.1
236.08284	18.1
237.08789	2.7
245.23039	7.8
246.06779	5.1
247.07545	15.3
248.08235	3.8
249.05363	3.3
249.09076	4.6
250.06311	1.4
250.09811	1.3
251.10672	39.6
252.11008	4.4
261.09113	3.6
262.06293	3.1
263.07059	13.8
264.07782	35.3
265.08353	5.5
271.24219	5.9
275.06995	3.3
277.05173	2.4
277.08554	3.4
277.25262	3.9
278.09390	8.5
279.10165	14.4
280.10422	2.1
289.08743	1.4
289.25217	9.0
291.06677	1.5
292.07306	8.0
293.08038	5.1
306.08853	3.6
307.09616	51.5
307.13132	2.5
307.26517	34.1
308.10028	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	307.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.0
55.01853	5.2
55.05503	13.5
57.07066	5.6
57.36160	1.2
59.04990	2.3
65.03941	1.1
67.05496	14.6
69.03426	5.9
69.07066	100.0
70.06580	2.8
70.67082	2.0
70.67422	1.6
71.04975	4.9
71.08617	2.8
73.62692	1.1
79.05495	9.8
81.07052	43.9
82.97881	1.1
83.04987	1.9
83.08635	7.5
85.02892	2.1
85.06524	5.7
91.05460	5.2
93.06497	1.4
93.07043	16.4
95.04968	2.2
95.07990	2.3
95.08604	42.7
97.06538	8.1
97.10144	5.0
99.08065	1.2
105.07021	7.3
107.04942	10.7
107.08588	15.5
109.02846	2.2
109.06493	4.0
109.10147	28.4
110.04175	1.2
111.08063	3.4
111.10965	1.4
111.11716	21.2
115.05453	3.5
117.07021	2.1
119.08545	7.4
121.02847	1.4
121.06461	1.4
121.10126	14.4
123.11691	15.7
125.09599	2.1
127.11189	4.7
128.06158	3.5
129.07002	1.6
131.04918	2.3
131.08546	3.6
133.06474	1.3
133.10092	5.6
135.04472	1.7
135.11691	7.8
137.13217	5.7
139.11177	24.3
142.04095	1.4
143.08585	2.6
145.06503	5.3
145.10054	2.0
146.07230	2.1
147.11671	5.0
149.13252	11.3
151.03897	1.5
151.11191	4.2
151.14824	1.8
152.06175	1.2
153.12769	3.1
157.06404	1.6
159.11710	3.3
161.13211	3.5
163.14851	3.0
165.06892	5.4
165.12758	2.3
166.07504	1.3
171.04424	4.1
171.08034	2.6
173.13232	1.4
175.07520	5.7
175.14835	2.7
177.05394	1.7
177.06915	1.8
177.16359	2.2
177.80930	1.2
178.07762	9.0
179.08475	5.0
180.09328	1.2
181.06470	3.0
182.07159	1.4
185.05943	4.1
186.06792	6.6
187.14709	1.9
189.06979	11.0
189.16357	1.6
190.07748	13.9
191.08537	15.3
191.17987	1.5
193.06479	3.3
194.07217	1.9
195.08000	1.9
201.06940	1.5
201.16360	3.1
201.20445	1.3
202.07761	7.1
203.08542	4.4
203.10460	1.4
203.17950	2.8
205.06602	5.5
206.07196	5.3
207.08064	17.4
208.08778	9.0
215.17848	1.7
217.06410	1.7
218.07280	20.3
219.08020	39.0
220.08800	21.0
221.05933	7.8
221.09404	3.3
222.06798	1.7
223.11099	1.6
233.05946	2.2
233.09647	2.1
234.06808	7.4
235.07530	31.3
236.08270	28.0
237.08778	3.2
245.23004	3.9
246.06747	7.6
247.07529	21.9
247.13103	1.4
248.08214	4.8
249.05447	5.1
249.08984	6.4
250.06152	1.3
250.09900	3.0
251.10654	63.8
252.07967	1.2
252.10912	6.1
261.09070	5.0
262.06400	2.7
262.09650	1.4
263.07010	20.9
264.07794	49.2
265.08276	6.3
271.24188	6.7
274.06384	1.3
275.06992	4.5
276.07535	2.1
277.05447	1.6
277.08502	8.2
277.25183	1.6
278.05942	1.8
278.09372	14.4
279.10101	22.8
280.10190	1.8
289.08344	1.5
289.25107	6.4
291.06610	1.9
292.07285	11.0
293.08023	11.1
306.08832	3.9
307.09598	69.5
307.26483	27.4
308.10178	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	307.2631
Annotation	9-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
53.03946	3.1
55.01867	5.2
55.05512	14.6
55.15578	1.3
57.03456	1.8
57.07070	7.0
57.29331	1.3
59.04990	2.0
60.78326	1.5
65.03931	2.1
67.05507	33.0
67.46133	1.3
69.03435	9.5
69.07070	49.4
69.39362	9.0
69.39774	2.5
71.04996	9.7
73.06548	2.5
79.05493	19.0
81.07057	100.0
83.04967	2.2
83.08621	10.2
85.02922	1.5
85.06535	7.5
89.03008	1.3
91.05470	8.9
93.07047	32.5
94.82783	1.3
95.04976	4.5
95.08608	97.0
97.06540	10.1
97.10164	4.3
99.08080	3.3
103.05460	1.6
105.07024	16.6
107.04972	2.3
107.08595	36.4
108.17783	1.4
109.02849	3.8
109.06564	3.0
109.10155	30.8
109.10859	2.6
111.08082	16.0
111.11700	8.5
115.05424	2.2
117.07022	2.9
119.08588	9.1
121.10146	20.0
123.08089	3.2
123.11703	53.9
125.09613	2.5
127.11197	5.6
131.04984	1.5
131.08597	3.4
133.10141	10.3
135.11697	17.3
137.13248	28.1
139.11192	8.1
145.06523	1.4
145.10138	4.0
147.11678	10.1
149.09772	1.5
149.13254	20.2
151.11122	7.4
153.12744	7.8
159.11714	4.2
161.13295	3.9
163.14845	2.5
165.07019	3.1
165.12758	6.0
167.08684	1.7
167.10287	1.5
167.14314	2.3
169.12244	2.1
171.04451	1.6
175.14861	2.7
177.16435	2.1
178.07771	2.5
179.08559	1.6
181.06503	1.8
189.07037	4.1
189.16408	5.1
190.07768	6.4
191.08566	5.9
193.06453	4.0
201.16446	2.0
202.07831	2.9
203.08514	1.8
203.17963	3.7
206.07217	2.2
207.08058	5.8
208.08801	4.6
215.08582	2.2
215.17877	1.5
218.07259	8.0
219.08124	14.3
219.17540	1.5
220.08865	8.2
221.05986	4.6
221.19063	2.7
233.09729	2.8
234.06757	1.8
235.07481	9.5
236.08258	10.6
237.09001	1.7
237.18521	4.6
246.06810	3.1
247.07545	7.7
248.08345	3.0
249.05418	2.1
251.10654	16.8
251.36507	1.4
252.11087	2.3
254.27370	1.4
261.11307	2.6
262.06439	1.5
263.06979	5.8
264.07791	15.8
265.08313	2.6
271.24249	3.5
275.07166	1.9
277.08636	3.4
278.09317	4.7
279.10037	11.7
289.18329	1.6
289.25293	7.2
292.07217	5.2
293.08047	3.7
294.09384	1.3
307.09540	40.0
307.12534	2.2
307.18985	1.4
307.26294	20.8
308.10162	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	307.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85191	2.5
53.03948	15.7
54.62364	2.5
55.01633	3.3
55.01869	38.5
55.05510	30.8
57.03433	13.7
57.07055	2.9
65.03915	2.4
67.05504	61.3
69.07066	40.1
71.04996	3.3
75.18671	2.5
79.05487	53.3
79.06216	2.6
81.03410	24.9
81.07050	100.0
83.04977	11.8
83.08602	13.2
84.30632	2.3
85.06516	5.3
86.40447	2.6
91.05473	45.7
93.07040	54.7
95.01314	3.5
95.04974	14.4
95.08601	42.7
97.06529	57.6
97.10153	9.0
99.08076	2.8
101.67683	2.7
105.07026	56.1
107.04960	29.7
107.08591	35.7
109.06534	22.5
109.10142	10.0
111.08041	6.4
117.07011	16.5
119.08576	35.1
121.06485	6.0
121.10128	21.3
123.08061	6.1
123.11706	4.1
125.09579	14.0
129.06966	4.7
131.08545	23.7
133.10106	32.3
135.08035	9.5
135.11690	18.4
137.05951	5.1
137.09605	5.0
139.07500	3.2
143.08522	4.1
145.06505	4.3
145.10115	15.9
147.11627	14.1
149.09613	23.4
149.13249	9.8
151.11139	5.7
153.09050	4.3
157.10187	3.8
159.11710	21.6
161.13266	7.7
163.11177	10.6
165.12831	3.0
169.10057	3.1
171.11664	2.8
173.13281	5.9
177.12721	10.3
179.14299	10.9
187.11212	8.7
201.12596	2.6
203.12695	5.9
203.14398	4.4
205.12222	3.8
209.15408	3.0
219.17426	38.5
235.16827	3.9
239.17839	3.0
245.54279	2.7
247.20605	6.1
257.19031	7.6
275.20053	76.8
289.18033	4.5
289.21759	3.0
307.22729	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2268
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
50.21351	0.7
53.03930	2.3
54.10972	0.8
55.01861	3.1
55.05269	1.2
55.05511	13.7
55.48355	0.8
57.03427	2.0
57.07070	3.3
57.33982	1.0
62.66558	0.9
64.74442	0.8
65.03935	1.5
67.05503	32.2
69.03425	2.2
69.07067	23.9
71.04980	3.2
71.22614	1.7
79.05495	19.8
81.03416	0.9
81.07054	36.8
81.07540	1.8
83.04978	8.3
83.08612	6.6
85.06540	2.2
91.05484	21.6
93.07043	25.0
95.04957	8.9
95.08601	22.6
97.06519	4.4
97.10148	3.1
105.07029	27.5
106.07365	0.9
107.04952	6.8
107.08594	18.9
108.08900	0.9
109.06518	12.9
109.10158	11.4
111.04398	1.1
111.08080	2.3
117.07011	6.2
119.07811	1.5
119.08585	16.1
121.06504	12.8
121.10127	9.4
123.08068	7.0
123.11713	4.7
125.09641	2.1
129.07013	2.4
130.07803	0.8
131.08553	14.1
133.06485	3.0
133.10132	19.0
135.08063	5.4
135.11685	5.9
137.09602	3.1
141.06938	0.9
143.08542	2.3
145.06508	1.9
145.10117	12.8
145.11174	1.2
147.08051	4.1
147.11678	12.5
149.09625	6.6
149.13274	3.7
151.07507	0.9
151.11159	7.2
153.09192	0.9
155.08549	2.2
157.10130	3.3
159.08058	2.2
159.11653	7.4
161.09639	2.3
161.13191	2.7
163.11198	8.7
165.12785	1.4
171.11714	2.6
173.09634	3.1
173.13222	6.9
175.11166	2.3
177.12726	1.9
182.17641	0.9
183.11644	2.0
187.11189	2.1
187.14871	0.9
191.14339	4.2
197.13245	1.4
201.12741	3.2
205.15840	1.0
207.13809	4.6
215.14365	1.3
215.18068	1.9
219.13786	6.2
219.17502	1.0
229.19507	3.2
231.17513	1.7
233.15294	1.1
239.17963	3.4
247.20650	5.3
257.18973	16.1
275.20056	100.0
276.20447	3.0
289.21631	3.3
307.22684	53.2
308.23074	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2264
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
53.03928	2.3
55.01871	8.8
55.05511	18.0
57.03423	2.7
57.07073	2.7
59.04985	1.7
59.45711	1.1
60.16815	1.2
61.80364	1.2
67.05183	1.9
67.05506	27.1
69.03417	3.2
69.07069	19.1
70.76224	3.1
70.76576	1.4
71.04990	14.2
79.05492	24.8
81.03416	2.3
81.06603	1.9
81.07058	36.2
83.04973	4.3
83.08611	6.6
85.06535	4.8
88.94822	1.3
91.05473	18.0
93.07042	23.4
95.04973	9.2
95.08607	23.4
97.06537	14.1
97.10163	6.9
99.04443	2.0
99.08073	4.8
105.07027	22.1
107.04935	3.8
107.08601	16.4
108.05740	1.3
109.06517	59.3
109.10182	10.6
111.04440	37.6
111.08054	2.8
113.09631	1.4
117.07019	4.3
119.08574	13.8
121.06526	7.3
121.10138	10.4
122.64165	1.5
123.08083	8.3
123.11687	2.4
125.05959	3.2
125.09628	5.8
129.07001	2.1
131.08597	8.7
132.14186	1.5
133.10117	12.2
135.08023	4.2
135.11665	4.9
137.05988	2.5
137.09613	6.0
139.11198	1.9
143.08527	3.0
145.10132	7.0
147.07941	1.5
147.11678	5.2
149.09608	7.2
149.13246	2.5
151.11166	4.2
153.09065	1.4
155.08508	2.0
159.11719	5.8
161.09625	2.4
161.13280	4.0
163.11156	3.7
163.14879	1.7
165.09070	1.8
165.12776	8.7
171.11714	2.3
173.13231	4.3
175.11127	1.9
177.12802	1.7
181.40904	1.2
187.11206	1.6
187.14777	2.2
187.52698	1.5
191.14268	2.6
197.13297	2.4
203.12830	2.2
229.19550	2.1
247.20511	3.3
251.16429	17.8
257.18985	2.1
271.16934	1.4
275.20093	20.7
289.18048	4.1
289.21597	11.0
307.19559	3.7
307.22659	100.0
308.22946	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.7
55.01868	15.2
55.05512	56.6
57.03167	1.9
57.03434	25.9
57.07059	4.2
59.05001	3.5
59.62963	1.7
65.03930	3.3
67.05502	55.5
69.03421	5.5
69.07069	22.3
69.51891	14.8
70.04073	1.9
71.04985	19.7
79.05490	65.4
81.03409	7.6
81.07051	50.7
83.04979	12.1
83.08617	22.4
85.06575	3.9
87.04485	4.1
91.05478	60.2
93.07041	43.2
95.04965	24.3
95.08601	29.0
97.06533	14.0
97.10172	33.3
99.08095	3.9
103.05469	5.3
105.04517	2.4
105.07023	60.3
107.04964	28.9
107.08595	39.4
109.06513	33.0
109.10162	19.7
111.04401	2.0
111.08060	5.6
114.34587	1.9
115.05437	3.1
117.07008	19.2
119.08578	42.3
121.02861	6.6
121.06504	59.3
121.07384	3.5
121.10143	14.6
123.08021	14.4
123.11686	3.6
125.09631	27.1
128.06233	3.8
129.07014	6.9
131.04997	1.8
131.08546	19.7
133.06485	4.3
133.10135	31.9
135.07117	2.9
135.08055	28.4
135.11685	8.2
137.05943	1.9
137.09619	15.6
139.07481	2.4
139.11217	2.0
141.06972	4.2
143.08540	6.3
144.05692	1.9
145.06442	4.5
145.10121	14.8
147.08035	9.5
147.11674	21.7
149.09633	11.5
149.13222	2.0
151.07574	2.3
151.11171	11.5
153.09117	5.6
155.08598	4.0
157.06473	2.0
157.10138	5.4
159.08051	59.2
159.11699	13.6
160.08426	2.8
161.09616	7.7
161.13251	5.5
163.07521	29.7
163.11192	10.7
165.09149	1.9
165.12762	8.0
169.10130	5.2
171.11673	5.4
173.09598	6.8
173.13255	7.4
175.11198	3.3
177.09132	8.1
177.12703	4.1
179.14377	3.4
183.11676	5.3
185.09613	6.8
185.13133	2.5
187.11151	3.9
187.14830	4.7
189.11244	8.7
189.12738	2.8
191.10709	3.7
191.14336	2.0
193.12254	3.9
197.13255	6.7
199.11131	2.2
201.12689	2.9
206.11446	2.0
214.61038	2.1
215.14302	7.0
217.12294	2.1
219.13849	13.0
229.19478	4.5
233.15352	8.4
235.13206	2.3
237.14870	4.6
239.17914	9.5
239.64752	2.0
243.17444	5.8
247.20544	5.3
249.18431	3.6
253.15868	14.1
257.18973	8.6
261.18549	5.3
271.16861	22.0
275.20047	61.7
289.17975	74.4
289.21091	3.2
290.18317	5.9
307.09818	2.5
307.19025	41.0
307.22647	100.0
308.23077	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2266
Annotation	Wyethic acid
Peak:m/z	Relative Intensity
53.03960	3.9
55.01867	8.0
55.05512	16.1
57.03424	3.7
57.07079	2.3
67.05499	33.5
69.03423	2.2
69.07070	11.0
71.04976	3.8
71.50900	3.6
71.51285	1.9
72.43671	1.6
79.05490	35.2
81.03424	5.9
81.07053	100.0
81.29531	1.7
83.04980	5.5
83.08619	11.8
85.06525	1.9
86.37640	1.7
91.05482	21.1
91.57034	1.6
93.07046	24.7
95.04961	11.8
95.08606	19.7
97.06531	7.7
97.10162	4.5
99.08102	2.1
105.07028	20.6
107.04950	7.1
107.08602	12.7
109.06512	51.0
109.10156	7.6
111.08086	3.0
117.07018	6.5
119.08595	17.4
121.06464	5.0
121.10118	10.1
123.08079	7.4
123.11753	2.9
125.09627	3.0
127.07456	1.7
129.07030	2.2
130.07817	1.6
131.08551	8.6
133.10123	12.3
135.08052	5.9
135.11678	4.6
136.99480	1.8
137.05959	2.0
137.09627	4.4
141.07063	1.9
145.10065	8.4
147.11655	14.2
148.53812	1.6
149.09601	4.9
149.13260	7.2
151.11168	4.0
157.10139	3.6
159.11684	4.7
161.13211	3.3
163.07538	2.7
163.11172	7.9
163.14824	2.8
165.12785	3.9
169.10094	2.1
171.11804	3.0
173.09616	2.2
173.13301	2.8
175.11201	3.0
175.14877	2.8
179.14380	2.4
180.75642	1.9
187.14799	2.2
187.64465	2.0
193.12234	4.5
219.13844	2.0
224.13159	1.7
229.19434	2.8
247.20621	5.8
257.19049	4.9
275.20053	48.9
276.20538	2.1
289.18011	4.4
289.22021	2.6
307.19107	4.4
307.22635	22.9
308.29453	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	307.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	7.0
55.01865	12.8
55.05506	55.7
57.02820	4.1
57.03433	15.1
57.07071	12.5
63.15229	3.5
65.03926	7.5
67.05502	57.8
69.03418	5.8
69.07065	28.8
70.13928	18.8
71.05001	6.8
71.08627	6.3
72.39815	3.7
79.05489	51.4
81.03409	5.0
81.07056	61.3
83.04975	93.9
83.08625	13.4
85.06516	5.0
91.05479	34.7
93.07041	53.8
93.07581	6.3
95.04958	24.7
95.08616	31.9
97.06524	17.3
97.10152	8.8
98.06091	5.1
99.04453	5.5
99.08090	8.3
103.05494	4.5
105.07037	37.3
107.04963	15.6
107.08575	37.1
109.06519	52.8
109.10149	22.8
111.04450	6.0
111.08086	5.2
117.07027	12.7
119.08593	24.6
121.02869	7.3
121.06514	17.9
121.10126	22.3
123.04427	7.8
123.08072	6.4
123.11698	8.4
125.06004	7.4
125.09623	6.1
131.08569	18.0
133.06514	4.5
133.10138	16.7
135.08060	18.0
135.11705	8.3
137.05977	21.6
137.09625	6.5
138.06267	4.6
138.88866	3.9
143.08549	5.4
145.10109	19.0
147.11696	12.0
149.06035	6.6
149.09598	11.6
149.13208	6.9
151.07536	5.0
151.11168	4.5
159.08066	7.9
159.11682	12.6
161.09656	7.6
161.13214	8.0
163.07539	11.2
163.11172	10.2
165.12753	94.4
171.11688	4.6
173.09627	5.4
173.13329	8.3
175.11183	5.9
177.09076	4.9
177.12801	9.3
179.14299	4.4
189.12776	4.7
191.14223	5.7
193.12183	5.5
194.66121	4.5
203.12675	6.5
233.11688	8.5
233.15353	7.1
243.17459	5.8
247.20435	5.3
261.18570	8.5
261.22202	5.2
271.16992	16.9
275.19986	19.3
289.17999	61.8
289.21606	23.2
296.23001	4.5
307.19150	21.6
307.22684	100.0
307.27942	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	307.1901
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
50.15131	3.0
53.03936	8.9
55.01854	14.1
55.05271	4.0
55.05513	49.9
57.03424	11.0
65.03969	4.9
67.05503	35.5
69.03424	6.5
69.07057	19.1
69.49367	17.6
69.49802	8.7
76.28004	3.6
79.05495	40.9
79.86538	3.3
81.03405	8.1
81.07047	50.0
83.04971	19.5
83.08614	20.8
91.05473	53.3
93.07040	52.9
95.04965	12.9
95.08608	18.9
97.06524	11.9
97.10153	22.3
100.11278	3.2
105.07012	26.5
107.04953	21.3
107.08578	41.0
109.02837	3.7
109.06506	17.9
109.10151	10.4
111.04388	4.4
111.08083	5.1
115.05431	4.9
117.04920	3.4
117.07014	16.3
119.08567	23.5
120.58422	3.0
121.02862	10.3
121.06516	26.7
121.10160	5.4
123.04405	6.9
123.08037	9.9
123.11685	4.9
125.09609	15.5
128.06206	3.4
129.06999	7.5
131.08543	13.4
133.06477	6.4
133.10098	21.0
135.04437	3.6
135.08049	74.8
135.11656	3.8
137.05956	7.7
137.09625	10.3
139.07495	6.5
141.06984	3.6
143.08546	12.3
145.06488	11.4
145.10152	15.0
147.07988	9.3
147.11618	5.3
149.06018	4.4
149.09625	11.2
153.09134	7.6
157.10146	4.9
159.08028	18.7
159.11684	5.0
161.09602	10.5
163.07542	50.4
163.11174	6.7
166.63841	3.6
169.10062	5.6
173.09599	12.3
175.11124	5.8
175.14995	3.4
177.09071	6.4
187.11121	5.0
189.11165	5.6
191.10628	4.9
193.12221	15.1
201.16422	3.9
217.12190	4.0
219.13846	3.6
233.15524	7.2
243.17398	9.5
253.15770	4.8
261.18488	12.1
265.11636	3.1
271.16934	23.0
275.20105	4.9
289.17990	100.0
289.21176	5.0
307.19144	56.7
307.22528	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	307.1901
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
53.03936	11.7
55.01860	16.9
55.05513	46.9
57.03431	35.5
57.07068	4.1
65.03917	4.3
67.05505	64.6
68.56123	4.3
69.03415	6.8
69.07076	29.5
69.58353	19.9
69.58765	11.0
71.04990	11.3
76.37976	4.6
79.05494	68.7
81.03427	15.9
81.07053	53.4
83.04981	20.2
83.08615	28.1
85.06525	5.2
89.72549	3.8
91.05484	62.9
93.07042	64.4
95.04959	31.2
95.08599	44.4
97.06525	21.7
97.10160	34.9
98.21535	6.6
103.05481	6.8
105.07031	59.4
107.04973	24.7
107.08595	32.2
109.06507	27.0
109.10143	25.3
110.88826	4.4
111.04446	5.7
111.08074	13.6
113.05987	5.5
115.05447	7.1
117.07004	25.1
119.08596	63.5
121.06492	32.9
121.10123	20.1
123.08032	12.6
125.09633	24.3
125.14059	4.8
129.07011	13.8
131.08531	31.6
133.06496	19.9
133.10138	39.1
135.04453	4.6
135.08054	37.9
137.06029	10.0
137.09595	10.0
142.07758	5.2
143.08562	19.8
145.06509	13.1
145.10123	17.3
147.08026	17.2
147.11700	6.0
149.09615	28.3
151.11203	5.6
155.08594	9.8
157.10123	18.8
159.08070	29.6
159.11713	15.5
161.09613	17.8
163.07564	14.1
163.11240	5.1
165.09128	11.0
166.65697	5.3
167.08537	4.8
169.10144	15.8
171.08144	4.2
171.11642	12.1
173.09633	12.2
173.13264	9.7
175.11229	6.8
177.09105	11.7
179.08591	5.6
183.11610	6.9
187.11169	6.0
189.11215	15.0
191.10626	6.4
193.10254	5.3
193.12151	6.8
195.10091	6.6
195.11763	6.0
197.13324	7.0
206.76277	4.5
207.11774	9.3
207.13618	4.9
209.13223	9.8
211.14864	7.6
215.14381	11.9
217.12141	6.2
219.13805	5.6
221.13367	5.7
221.61736	4.5
222.93930	5.2
233.15398	10.7
243.17400	10.2
253.15918	8.8
259.14819	5.4
261.18463	16.5
263.18011	10.5
271.16995	25.9
289.17917	100.0
307.02405	5.4
307.18771	55.3
307.67963	4.7
318.42319	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	307.1902
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
53.03938	2.6
55.01870	11.8
55.05511	20.9
57.03416	2.4
57.07069	6.7
59.04979	1.2
65.03919	2.1
67.05504	34.6
68.99789	1.8
69.03411	3.6
69.07061	14.4
69.99563	4.6
71.04974	4.1
71.08627	6.0
79.05027	0.9
79.05492	25.8
81.03397	3.1
81.07053	53.0
82.07369	1.3
83.04983	19.6
83.08627	6.9
85.06540	5.4
91.05472	24.4
93.06487	1.8
93.07038	23.0
95.04385	1.4
95.04970	23.5
95.08604	19.1
97.02893	1.5
97.06532	6.6
97.10172	6.9
98.06028	2.3
99.08089	5.1
105.07023	24.2
107.04947	3.5
107.08590	21.8
108.08881	1.2
109.02847	1.1
109.06512	54.2
109.10148	21.7
111.04390	1.2
111.08073	2.7
111.98172	1.1
117.07024	5.0
119.04942	1.9
119.08578	12.3
121.06499	12.8
121.10120	7.1
123.04456	2.3
123.08053	4.7
123.11714	4.6
125.06020	1.2
125.09618	3.1
129.07007	1.8
131.04903	1.1
131.08565	8.6
131.15120	1.0
133.06474	3.2
133.10127	22.9
135.04314	1.0
135.08046	9.7
135.11644	3.4
137.05984	5.8
137.09624	8.5
137.13199	1.3
138.06300	1.0
139.07565	1.7
139.11133	2.1
141.06999	1.3
143.08577	2.0
145.06477	2.2
145.10106	5.4
147.08018	3.4
147.11647	5.0
149.05966	1.0
149.09619	4.8
149.13217	1.8
151.07513	3.7
151.11189	9.7
153.09116	2.4
157.10129	1.8
159.08064	4.6
159.11676	2.4
161.09589	3.7
161.13261	2.6
163.07513	3.5
163.11209	5.3
165.12750	100.0
167.10571	0.9
169.10074	1.9
169.12244	1.3
171.11685	1.9
173.09631	2.5
173.13232	4.0
175.11151	2.3
177.09109	1.6
177.12737	5.0
179.10706	2.3
179.14316	2.7
183.11726	1.4
187.14767	1.5
188.35809	1.0
191.10706	1.6
191.14307	4.6
193.12224	1.3
195.10060	1.2
197.13226	1.6
201.12614	1.1
215.14368	1.3
215.17928	1.0
219.13806	1.5
225.16380	1.6
229.15994	1.1
233.18924	1.6
243.17419	2.8
243.20984	1.1
251.16344	7.8
257.18997	1.0
261.18597	7.3
261.22064	9.0
265.18140	1.1
271.16919	10.7
271.20129	1.7
275.20032	5.5
279.00891	1.0
289.17938	36.2
289.21555	27.4
307.19095	9.9
307.22629	86.8
307.27975	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	307.1902
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
53.03938	8.9
55.01854	21.3
55.05514	47.7
57.03204	6.3
57.03437	85.8
57.07057	8.4
67.05503	83.1
69.07050	20.8
70.11165	11.0
70.11570	20.3
74.68254	5.8
79.05492	61.4
81.03391	6.3
81.07053	53.3
83.04988	83.2
83.08608	14.3
85.06537	12.0
91.05481	70.8
93.07056	55.7
95.04954	29.5
95.08621	42.0
97.06515	14.7
98.21455	11.5
99.04437	15.2
105.07050	40.2
107.04952	70.7
107.08589	29.6
109.02869	7.4
109.06536	32.6
109.10136	23.3
111.04436	51.6
113.05952	9.8
117.07008	37.7
119.08571	29.0
121.02819	9.8
121.06499	25.6
121.10128	23.2
122.03605	6.6
123.08041	11.6
125.09592	6.8
129.06996	10.8
131.08569	26.7
133.06485	15.7
133.10100	27.3
135.08067	35.9
135.11649	19.0
137.05981	64.6
137.09592	16.0
138.06322	41.6
143.08496	11.4
145.06403	7.3
145.10139	27.7
147.08005	14.6
147.11618	7.2
149.05928	12.4
149.09610	8.1
149.13089	6.8
155.08540	15.9
157.10147	8.4
159.08086	14.1
159.11728	12.2
161.09596	10.9
163.07559	15.2
163.11197	13.1
165.12744	10.9
166.13080	9.5
169.10086	7.6
171.11647	8.4
177.09047	7.5
177.12726	21.7
183.11743	10.3
187.11198	10.9
187.14760	9.0
205.15805	12.3
211.11275	6.9
215.14386	11.9
217.12303	7.1
233.15302	47.6
243.17406	15.2
261.18484	43.0
271.16916	38.2
275.19977	15.0
289.18008	100.0
289.21176	7.7
307.19000	18.3
307.22321	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	307.19
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
51.26494	4.3
51.51919	4.5
53.03948	7.1
55.01869	22.8
55.05507	36.1
57.03424	8.0
65.03946	3.9
67.05496	35.9
69.03419	6.7
69.07050	12.8
70.04719	17.8
70.12923	3.4
71.04987	5.3
77.33179	3.6
79.05486	64.9
81.03393	8.8
81.07051	100.0
83.04982	9.1
83.08601	16.2
91.05476	40.7
93.07026	28.4
95.04956	13.9
95.08578	17.5
97.02874	5.1
97.06499	4.1
97.10149	11.7
97.61366	3.1
98.20820	3.8
105.07021	27.3
107.04957	31.4
107.08575	37.4
107.58763	3.8
109.02866	19.6
109.06491	47.9
109.10131	11.1
111.08062	5.4
115.05401	4.8
117.06967	22.2
119.04938	7.1
119.08559	29.4
121.02900	6.5
121.06490	11.8
121.10118	9.6
123.04412	6.7
123.08038	9.3
125.09641	13.2
127.23466	3.4
131.08545	13.8
133.06511	4.8
133.10107	22.6
135.08028	43.6
137.05962	4.7
137.09619	9.5
143.08585	9.9
143.86673	3.4
145.06476	12.4
145.10138	14.1
147.08051	8.3
147.11691	6.8
149.09634	3.8
151.11160	8.0
153.09084	8.0
157.10147	5.8
159.08035	19.9
159.11722	4.2
161.09601	17.5
163.07556	19.5
165.09108	4.6
173.09628	5.8
177.09174	3.1
177.12798	4.5
179.10614	21.3
187.11256	6.2
189.09161	8.7
191.10664	6.6
207.10127	7.4
225.11137	4.3
227.45264	3.4
243.17438	30.7
261.18500	22.5
271.16895	15.2
289.15027	5.8
289.17984	74.6
290.18274	4.5
302.51743	4.2
307.22540	7.5
318.93652	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	307.1539
Annotation	Phomadecalin B
Peak:m/z	Relative Intensity
53.03939	14.0
55.01858	10.8
55.05515	32.1
56.26913	4.6
57.03421	13.0
58.67832	3.8
59.05001	5.7
63.59968	4.2
67.05508	40.0
69.03418	13.0
69.07066	51.2
70.46873	6.1
70.47216	14.8
79.05493	52.8
81.07050	100.0
83.04979	14.5
83.08608	9.9
84.33923	4.5
85.02897	5.6
85.06525	5.3
87.04478	5.3
91.05476	96.7
93.07036	72.8
95.04976	24.4
95.08607	34.7
97.06533	21.4
103.05451	9.4
105.07025	56.3
107.04964	25.2
107.08591	49.4
109.02849	7.6
109.06525	23.1
109.10133	20.1
111.08067	24.8
111.11647	5.8
115.05450	16.3
117.07027	45.1
119.04943	14.2
119.08591	24.1
121.06507	44.4
121.10144	15.9
123.04450	5.5
123.08094	9.5
123.11707	17.3
125.06027	6.9
125.09666	5.9
128.06226	17.8
129.06998	36.9
131.04906	5.9
131.08556	67.0
133.06503	17.8
133.10103	34.5
135.04437	5.8
135.08040	18.4
135.11723	4.7
137.05968	5.2
139.03857	5.3
139.11206	10.8
141.06970	19.1
142.07759	6.0
143.08571	31.2
144.05707	6.2
145.06502	22.3
145.10089	30.8
147.04361	5.9
147.08031	11.4
147.11714	5.7
149.05971	16.6
151.03888	12.0
151.11182	42.9
153.07045	9.0
155.08530	24.5
157.06589	5.7
157.10139	11.6
159.04442	7.3
159.08015	34.3
159.11678	26.3
160.00441	5.0
161.06004	7.7
161.09602	13.4
163.07521	13.6
165.05504	10.4
167.06995	7.0
168.09337	11.5
171.08043	6.5
171.11699	8.2
173.09633	13.9
173.13271	18.2
175.07497	10.3
175.11194	17.9
177.05458	7.6
177.09175	7.1
183.11655	36.9
185.09563	9.2
185.13232	7.3
187.07556	13.9
187.11203	20.3
191.10599	7.0
201.12724	42.4
203.10664	14.8
205.12222	7.5
209.08075	12.8
211.11269	23.5
213.12845	5.7
218.07178	13.3
219.08064	16.4
229.12236	68.7
235.07582	9.0
236.08395	10.1
239.10590	9.1
243.13974	6.3
246.06903	5.2
247.07533	16.1
247.13295	50.0
249.05557	6.1
251.10498	8.8
257.11823	29.9
261.14944	10.3
264.07813	15.7
271.16989	6.6
271.24170	6.1
275.12769	74.9
279.10190	9.6
289.14349	16.8
289.17960	15.6
289.25046	6.1
292.07291	13.9
293.13910	31.2
307.09741	52.6
307.15393	67.9
307.26370	22.4
308.10315	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	307.1684
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61551	0.5
56.05037	3.1
58.06595	4.9
60.16833	0.5
61.01149	0.6
61.70663	0.5
61.88477	0.5
69.07067	1.0
70.06593	0.8
71.01318	0.9
74.02438	0.5
75.02702	0.7
82.95719	0.5
84.03983	1.0
84.04502	29.3
84.08139	100.0
85.02888	1.4
85.08467	1.1
86.06062	7.9
86.09700	7.1
88.03996	4.3
99.09202	1.0
102.05513	0.6
114.12787	0.8
130.04996	3.5
130.08656	1.9
140.03412	0.5
141.13847	8.1
144.10231	1.5
146.06041	0.9
169.13345	10.7
178.08623	2.7
187.07788	0.4
196.09543	0.6
198.11333	0.8
215.13904	47.3
216.14279	0.6
231.98276	0.5
243.17032	46.9
244.17374	0.8
262.11096	3.4
307.13077	1.4
307.16800	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37968	4.5
52.40755	4.6
53.03938	12.6
55.01870	36.7
55.05511	25.5
57.03429	7.9
58.99502	4.2
67.05495	32.8
69.03432	7.6
69.07060	27.8
69.68909	32.1
79.05483	64.8
81.07049	44.3
83.04976	24.8
83.08573	5.5
85.02871	4.5
85.06547	5.3
87.04454	29.7
91.05475	100.0
93.07042	54.7
95.04963	62.2
95.08605	21.7
97.06528	11.9
98.20859	8.9
103.05457	14.6
103.65859	4.4
105.07025	58.4
107.04959	56.3
107.08582	28.8
109.06519	36.0
115.05418	9.7
117.07000	53.9
119.04943	11.0
119.08562	19.5
121.06479	49.1
121.10134	7.1
123.04396	27.6
123.08054	9.1
125.06010	8.9
125.09514	6.7
128.06236	11.1
129.06982	29.7
130.07800	6.7
131.04927	15.5
131.08557	60.6
133.02864	5.1
133.06490	23.4
133.10139	17.5
135.04404	34.3
135.08060	15.4
135.11691	5.1
137.05966	27.1
139.03879	15.8
139.07527	8.7
141.06949	24.9
142.07776	9.1
143.08578	22.5
144.09354	8.7
145.06482	25.0
145.10150	20.1
147.04393	14.1
147.08009	13.3
149.06015	28.3
149.09567	7.1
151.03865	22.9
153.05504	7.2
153.06989	11.9
154.07802	7.1
155.08563	20.4
157.06448	8.6
157.10146	10.0
159.04419	15.9
159.08049	35.9
159.11691	28.3
161.05998	17.1
161.09587	26.1
163.07536	15.9
165.05470	45.5
165.06793	8.4
167.07066	38.6
167.08383	8.8
168.09322	10.9
171.08116	6.3
172.08855	6.2
173.09572	8.2
173.13284	15.4
175.11174	13.4
177.05452	15.9
179.07100	12.5
181.04944	5.2
181.06459	6.5
183.11642	25.2
187.07483	10.2
187.11011	10.0
191.07002	12.7
193.10081	6.3
199.11205	7.7
201.12737	34.3
203.07126	6.4
203.10645	10.3
205.08635	10.4
207.06490	5.2
209.06250	8.9
209.08052	54.3
211.11154	23.2
229.12218	51.5
239.10736	8.9
245.11853	7.3
247.07463	5.9
247.13235	13.2
257.11740	22.0
275.12796	13.2
289.14377	10.8
307.09628	15.5
307.15491	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	307.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.5
55.01871	7.1
55.05495	14.4
57.03426	11.2
57.69235	3.6
59.04979	7.2
67.05489	16.4
69.03429	26.2
69.07051	8.1
69.32254	39.7
71.01334	5.3
71.04988	11.0
73.02904	4.2
79.05489	9.1
81.07049	19.0
81.40786	4.1
83.04978	17.4
85.02895	15.8
87.04469	8.3
90.85325	3.9
91.05470	19.2
93.07056	9.3
95.04964	20.8
95.08592	17.3
97.06524	7.9
97.12708	3.9
99.04448	9.5
103.05463	43.2
105.07015	18.9
107.04917	9.8
107.08598	6.4
109.06503	4.9
109.10137	9.0
111.04440	19.1
111.08068	8.5
113.05986	8.3
115.05451	33.6
117.07022	42.9
119.04944	13.5
121.06505	7.9
121.10065	5.0
122.03613	4.3
123.11671	8.3
128.06244	9.6
129.07002	18.6
131.04926	72.5
131.08537	5.8
133.06523	9.2
134.03680	4.0
135.11687	4.5
136.07581	35.1
137.05969	68.6
138.09125	31.1
141.07024	23.1
143.04889	12.9
144.05727	11.6
145.06496	57.1
145.10175	5.0
146.03616	15.8
147.04413	41.7
147.08076	4.4
148.05164	7.1
149.05965	39.8
151.03850	6.6
151.07567	34.6
152.07097	10.6
155.04938	5.6
155.08548	8.3
157.06470	16.7
158.07295	7.3
159.04414	11.4
159.07996	11.8
160.05193	25.2
161.05991	29.7
162.03015	5.7
162.06770	8.8
163.07553	100.0
164.07050	42.3
165.05470	7.7
165.07002	5.1
165.09091	37.8
167.07129	5.9
168.05606	5.1
169.06541	22.1
171.04372	5.9
171.07864	4.7
172.05281	6.2
173.05946	18.1
174.06779	13.3
175.07558	72.1
177.05460	64.6
177.09085	27.4
178.06261	18.3
179.07100	34.7
182.08189	7.0
183.08038	15.5
185.05965	10.5
186.06808	6.0
187.07558	39.0
189.05429	11.9
189.09111	30.0
190.06197	7.7
190.07791	4.9
191.07007	48.2
191.08578	5.4
193.08621	16.5
197.05988	17.3
199.07558	12.0
200.08322	5.0
201.09120	40.8
203.07019	22.1
204.07750	5.7
205.08575	27.5
211.07559	20.0
215.06985	9.4
215.10687	15.6
217.08582	16.6
219.08029	4.9
219.10056	9.6
221.08017	11.3
225.09123	8.7
228.07686	6.7
229.08612	47.0
231.10127	6.4
233.07944	20.9
237.03944	5.9
243.10120	15.4
247.09660	9.5
259.09634	9.7
261.11301	8.1
271.09756	8.2
278.37643	4.6
279.10031	5.8
289.10718	17.7
289.15430	5.0
307.06342	4.5
307.12253	36.4
307.26465	4.4
321.26968	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	307.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03912	1.5
55.01856	3.9
55.05514	7.5
57.03413	2.0
57.07055	3.7
67.05505	7.1
67.76609	1.0
69.03419	2.0
69.07063	21.6
70.06582	2.6
70.31277	4.5
71.04981	1.5
71.08617	2.3
79.05502	7.2
81.03402	2.7
81.07053	18.0
83.04984	2.8
83.08585	3.7
85.02892	1.5
85.06512	1.9
86.09708	5.2
88.07619	2.8
91.05460	5.1
92.12547	1.1
93.07047	8.4
95.04950	3.6
95.08607	19.0
97.06499	3.6
97.10152	2.3
98.65340	1.3
105.07034	6.1
107.04957	13.8
107.08583	8.3
109.02890	2.4
109.06505	1.4
109.10151	9.3
111.11693	6.3
115.05431	4.5
117.07001	4.3
119.08531	4.8
121.02852	3.8
121.06490	2.4
121.10119	5.6
123.07995	1.2
123.11670	5.2
124.99976	3.4
128.06216	4.4
129.06993	2.7
131.04897	3.1
131.08604	2.7
133.02840	1.3
133.06490	2.0
133.10098	3.6
135.04370	3.0
135.11662	4.1
137.06021	1.4
137.13223	3.5
139.11205	5.6
143.04922	1.8
143.08553	5.9
145.06512	7.8
145.10100	2.3
146.07220	3.6
147.11755	2.7
149.13246	4.9
151.03889	1.7
151.11194	1.9
151.14738	1.4
152.06212	1.5
153.06865	1.3
157.10191	1.3
158.07190	1.6
159.08023	2.9
159.11737	1.5
160.05142	1.7
161.05940	2.6
161.13200	1.6
163.03857	3.3
163.07538	1.4
163.14867	1.8
164.07083	4.2
165.05524	2.2
165.06964	6.9
165.12762	1.2
165.90947	1.1
171.04401	2.9
171.08044	7.4
175.07530	16.6
177.06990	2.1
177.09207	2.4
178.07764	10.5
179.08607	5.3
181.06480	4.3
182.07262	1.2
184.07344	10.4
185.06003	3.0
186.06725	10.2
189.07005	13.8
190.07741	17.5
191.06929	2.2
191.08536	19.3
192.09105	1.5
193.06573	2.8
193.10191	1.5
194.07266	1.4
195.08054	2.3
201.20413	3.9
202.07790	9.3
203.08548	6.2
203.10674	4.8
203.17972	1.5
205.06535	7.7
206.07275	7.9
207.08046	22.0
208.08778	14.7
215.08565	1.3
217.06540	2.3
218.07271	25.1
219.08037	54.1
220.08813	28.7
221.05984	11.3
221.09508	4.7
222.06703	1.6
223.11121	2.8
231.08066	1.4
233.06020	1.8
233.09578	4.6
234.06741	8.4
235.07523	38.3
236.08307	35.1
237.08968	2.3
244.22664	1.7
245.23024	7.0
246.06712	10.5
247.07524	25.9
248.08281	6.7
249.05505	6.4
249.09009	7.4
249.11203	1.2
250.06288	1.6
250.09842	3.0
251.10660	81.8
252.08058	1.3
252.10909	5.2
259.70227	1.1
261.09055	4.8
262.06192	4.1
263.07010	27.7
264.07800	77.8
264.12299	3.2
265.08356	6.7
265.13110	4.4
271.24078	2.1
275.06946	4.8
277.05411	1.8
277.08591	9.8
278.06033	2.2
278.09326	22.1
279.10135	31.7
280.10437	2.9
289.08539	2.1
289.25217	4.5
291.06516	4.1
292.07254	15.0
293.08124	12.4
294.08398	1.7
306.08734	4.3
307.09601	100.0
307.26663	28.3
308.10046	8.8
308.14938	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	307.0964
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43881	0.9
53.03934	1.3
54.09207	0.8
55.01852	3.9
55.05509	5.7
57.07066	1.7
59.04985	1.7
61.48225	0.9
65.03904	1.1
67.05496	7.6
68.50268	1.0
69.03428	1.6
69.07066	28.5
69.33797	7.0
69.34216	2.2
70.06577	2.2
71.04990	1.5
71.08608	1.7
79.05489	4.8
81.03386	2.0
81.07059	18.0
83.04957	1.2
83.08603	3.0
85.06516	2.0
86.09701	2.4
88.07616	1.2
91.05471	4.3
93.07056	7.2
95.04945	2.6
95.08058	1.5
95.08604	16.5
97.06518	3.6
97.10139	2.7
98.20736	1.6
99.08056	1.2
103.05431	1.5
105.07026	5.7
106.39253	0.9
107.04950	11.3
107.08593	6.4
109.02866	1.4
109.06492	1.9
109.10157	12.7
111.08076	1.4
111.11703	6.6
112.74728	0.9
115.05431	4.1
117.06992	2.6
119.08573	3.0
121.02840	3.2
121.10158	7.5
123.07982	1.1
123.11681	5.9
125.09582	1.2
127.11180	2.3
127.92886	1.0
128.06216	5.7
129.07025	1.8
131.04913	2.6
131.08498	1.4
133.06470	1.6
133.10048	2.2
135.07994	1.3
135.11673	3.5
137.05922	1.1
137.13232	3.1
139.11172	8.5
141.06956	1.2
142.04132	1.3
143.04926	1.0
143.08556	5.8
145.06462	6.9
145.10123	2.2
146.07246	2.9
147.11699	3.2
149.13261	5.5
153.12794	1.1
155.06084	1.0
158.07259	2.3
159.11678	1.7
161.05975	1.9
161.13196	2.5
163.14758	2.4
165.06992	7.6
165.12883	1.1
167.08597	1.5
170.03624	1.3
171.04402	4.3
171.08023	9.1
173.05927	1.4
175.07538	12.1
175.14847	1.7
177.05463	1.6
177.06985	2.3
177.09099	3.0
177.16476	1.3
178.07747	9.2
179.08508	5.2
180.09291	2.1
181.06416	2.9
184.07333	3.4
185.05959	3.7
186.06752	11.3
187.07207	1.1
189.06972	11.9
190.07765	15.2
191.06932	1.8
191.08539	20.0
192.05466	0.9
192.09106	1.3
193.06508	3.6
194.07304	2.4
195.08054	2.8
200.20018	1.1
201.20425	2.8
202.07751	8.5
203.08545	5.4
203.10651	5.7
203.17976	2.5
205.06519	7.5
206.07292	6.7
207.08023	22.6
208.08836	12.8
213.88210	1.0
215.08569	1.8
217.06377	2.4
218.07281	26.5
219.08041	46.4
220.08821	24.8
221.06017	10.6
221.09465	4.6
223.11142	2.0
230.07358	1.1
231.08052	2.4
233.06078	2.3
233.09584	3.8
234.06706	8.8
235.07535	38.1
236.08311	35.7
244.22696	1.3
245.23045	6.5
246.06799	10.9
247.07512	23.8
248.08380	6.4
249.05470	5.9
249.09021	8.2
250.06320	1.8
250.09926	3.1
251.10667	81.1
252.10918	3.0
259.07477	1.3
260.04672	1.3
261.09122	5.3
262.06244	4.3
262.09982	1.2
263.07043	22.9
264.07813	68.1
265.08319	4.9
265.13010	1.8
271.24127	1.8
274.06308	1.5
274.09497	1.0
275.07031	5.7
276.07797	1.4
277.05286	2.1
277.08597	7.7
278.06165	2.0
278.09344	20.3
279.10129	30.3
289.08420	2.3
289.25189	3.4
291.06512	4.0
292.07275	13.2
293.08051	11.5
306.08920	4.7
306.26492	1.4
307.09604	100.0
307.26614	23.0
308.09973	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	307.0788
Annotation	Unknow
Peak:m/z	Relative Intensity
61.15039	4.8
65.01011	4.3
66.52362	5.7
71.50500	9.3
97.15889	4.3
101.00885	5.8
103.60744	4.6
119.01902	11.9
136.47560	5.2
148.77228	5.2
173.02940	5.1
202.89127	5.4
209.33273	4.6
231.67537	5.4
247.03017	7.1
247.06802	5.8
264.96472	4.7
266.65753	5.4
307.07764	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	4.7
55.05513	10.1
57.07058	2.7
59.05011	1.6
65.03944	1.2
67.05231	1.1
67.05502	11.2
69.03423	3.0
69.07069	43.2
70.06573	3.8
71.04975	3.5
71.06898	1.2
71.08623	1.6
71.51373	1.5
72.78296	1.1
78.99691	1.1
79.05492	9.2
81.06588	2.1
81.07054	28.9
83.04964	1.8
83.08612	3.9
85.02902	1.2
85.06541	4.5
88.07584	1.2
88.82335	1.0
91.05492	7.3
93.07043	12.4
95.04963	3.0
95.08609	29.6
95.98030	1.1
97.06514	5.0
97.10151	2.4
98.90759	1.0
99.08113	1.6
100.58830	1.1
103.05457	2.9
105.07022	6.2
106.46861	1.1
107.04948	15.1
107.08588	11.1
109.02856	2.3
109.06498	2.1
109.10159	19.3
111.08015	2.6
111.11726	11.5
112.99518	1.0
115.05425	3.2
117.07021	4.8
118.91946	1.1
119.08585	6.6
121.02831	3.2
121.06523	1.2
121.10139	8.8
123.04393	1.7
123.11724	10.3
124.99967	2.7
127.11197	2.0
128.06203	5.6
129.06973	2.4
131.04922	3.2
131.08534	3.5
133.02756	1.4
133.06454	1.3
133.10159	3.3
135.04384	2.0
135.11682	6.2
137.05898	1.7
137.09615	1.8
137.13226	3.7
139.11214	9.7
143.04973	1.5
143.08546	6.7
145.06493	8.7
145.10126	2.1
146.07268	3.5
147.11726	2.1
149.13242	8.3
151.03917	1.7
151.11206	2.7
151.14839	2.0
153.07025	1.4
155.08621	1.2
158.07249	1.4
159.08102	2.0
159.11725	2.8
160.05171	2.0
161.06032	2.0
161.09593	1.7
161.13255	2.7
163.03842	1.4
163.07622	1.3
163.14835	2.8
165.05598	1.9
165.07010	5.6
165.08937	1.2
165.12718	1.9
167.07036	2.3
170.03613	1.3
171.04401	4.5
171.08080	8.4
173.13226	1.9
175.07547	14.4
175.14902	1.6
177.05528	2.0
177.06953	2.1
177.09077	5.5
177.16423	2.2
178.07764	11.8
179.08537	3.7
179.14320	1.3
181.06488	4.0
183.08003	1.5
183.11612	1.3
184.07288	3.9
185.06020	4.2
186.06734	13.0
187.14886	1.4
189.06996	15.5
189.16428	1.6
190.07784	14.0
191.08553	23.5
191.18018	1.6
192.09210	1.2
193.06468	3.9
194.07278	3.1
195.08025	4.1
202.07819	8.0
203.08563	6.3
203.10684	5.1
203.17978	3.3
205.06483	7.8
205.08350	2.0
206.07265	6.6
207.08061	22.5
208.08810	12.2
210.06784	1.3
215.08643	1.3
215.17769	1.6
217.06470	2.8
218.07253	22.6
219.08047	46.4
220.08810	25.7
221.06012	11.3
221.09525	3.4
222.06693	2.2
223.07600	1.5
223.11176	3.6
231.08083	3.2
233.05927	1.8
233.09618	3.3
234.06767	8.7
234.10153	1.4
235.07544	40.1
236.08298	36.5
237.09026	2.0
245.23128	6.7
246.06732	8.2
247.07533	24.0
247.13214	3.1
248.08249	7.5
249.05444	6.9
249.09123	4.2
250.06270	1.8
250.09846	3.1
251.10670	83.9
251.94731	1.4
252.11031	2.9
261.09091	4.5
262.06293	3.6
263.07028	23.7
264.07813	66.6
265.08389	4.4
271.24200	2.8
274.06241	1.3
275.07031	5.2
276.07581	1.2
277.05310	2.4
277.08572	8.7
278.06134	1.7
278.09338	20.6
279.10150	27.7
289.08517	1.7
289.18246	1.3
289.22086	1.1
289.25119	5.7
291.06442	4.0
292.07278	13.3
293.08090	12.3
306.08789	5.1
307.09628	100.0
307.26535	31.1
308.10065	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	307.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.0
56.96567	12.8
57.03408	3.9
58.99860	2.8
59.04961	1.1
61.02908	5.5
62.14746	1.2
67.05470	1.3
68.05003	1.9
69.03427	14.2
70.06569	3.0
70.23774	2.1
70.99814	1.4
71.01337	1.6
71.04985	1.5
72.08144	2.4
73.02899	5.1
77.00879	2.5
81.03395	4.5
82.99828	2.6
83.04976	2.5
84.04502	3.3
84.08133	2.3
84.96011	3.5
85.01389	2.0
85.02903	24.6
85.06547	2.4
86.99309	1.7
87.04441	3.9
88.41610	1.2
91.03918	1.9
91.05453	1.8
95.01917	1.4
96.08187	1.1
97.01371	1.5
97.02893	16.9
97.06487	1.9
98.66557	1.1
98.97582	14.1
99.04447	2.1
101.00879	31.2
102.65644	1.2
103.00639	1.3
103.02469	11.2
105.00359	1.9
109.02860	3.7
110.97539	4.0
113.00829	8.9
114.05519	2.7
115.02425	16.7
116.07082	1.3
116.98638	7.1
117.04002	1.4
119.01920	100.0
119.04919	1.9
120.01974	3.8
121.01646	4.5
121.03487	11.2
123.04399	1.4
123.32710	1.1
125.00842	1.5
126.71195	1.3
127.02404	3.3
127.03922	6.7
128.98581	4.5
129.03934	4.9
131.00223	1.6
131.01906	37.9
133.01663	2.9
133.03471	37.9
133.05193	4.5
134.99649	2.7
135.03154	3.5
135.05016	1.6
135.91895	1.2
137.00838	1.7
137.02953	19.5
137.05984	8.7
138.01683	1.3
138.06247	1.3
139.02443	2.6
141.03914	2.4
142.03481	3.3
143.00165	2.2
143.01909	24.0
145.01660	3.0
145.03467	46.8
145.04785	2.2
145.04984	2.7
146.99600	4.5
147.01347	4.5
147.03174	3.1
147.04977	7.2
149.01198	1.6
149.02962	10.8
149.04768	2.0
151.04515	7.0
151.06242	6.1
153.05707	1.9
155.01894	32.9
156.02628	4.6
157.03471	38.3
158.99654	2.6
159.01271	1.4
159.03204	1.3
159.05023	10.1
161.01469	1.9
161.02954	36.1
162.99190	1.8
163.02759	6.3
163.04515	19.1
165.04063	1.6
168.99791	5.3
169.03462	3.2
170.99583	2.0
171.01241	1.6
171.04991	6.4
173.01427	2.3
173.02957	32.4
173.06342	1.4
175.02744	4.4
175.04532	36.4
175.06169	1.7
177.00760	3.5
177.02437	7.6
177.03922	2.4
177.06064	6.4
179.03976	2.4
181.03545	6.7
183.05051	1.3
184.04507	1.5
185.02921	9.0
185.04512	1.7
185.06567	1.4
187.00893	13.3
187.02650	2.8
187.04485	18.1
187.06197	2.2
189.00818	1.6
189.02394	2.4
189.06041	7.2
191.02309	2.2
191.03976	6.6
193.05489	1.4
195.04955	2.0
196.99344	2.9
197.02974	2.7
199.02858	2.2
199.04538	15.6
199.06271	2.5
201.06097	5.8
203.04001	11.8
205.00174	1.6
205.02109	7.0
205.03836	3.4
205.05554	9.2
205.07474	3.3
208.99744	1.4
211.04459	2.8
215.00375	20.6
215.03853	1.9
217.01956	2.4
217.03764	1.9
217.05537	3.7
217.07474	3.9
219.01738	4.0
219.03642	6.1
219.07085	4.1
219.08957	1.7
221.05075	40.1
223.04799	6.8
227.04033	1.6
227.07486	1.5
229.01935	6.8
229.05553	3.7
233.01486	2.3
233.05138	1.4
237.02780	5.0
239.06007	3.0
245.05211	6.2
247.02948	34.1
247.06606	48.9
247.09183	2.4
259.06589	2.8
261.03076	2.2
265.04123	3.4
265.07742	83.8
270.04541	1.5
270.08435	1.6
277.07520	1.6
279.09366	2.6
288.09268	6.2
289.04114	6.1
295.03296	1.4
303.60959	1.3
307.08228	75.7
319.08786	1.6
321.10342	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.206
Annotation	Unknow
Peak:m/z	Relative Intensity
58.52641	0.4
65.49037	0.4
66.04697	0.4
67.05501	0.8
69.07050	1.2
70.80337	0.8
70.80711	0.8
71.33410	0.4
79.05479	0.7
81.07024	0.8
93.07046	0.8
94.04165	2.0
109.06513	0.5
109.10136	0.4
115.03835	0.4
122.03648	6.4
135.11690	1.0
137.05971	100.0
138.06285	1.0
153.12750	1.2
170.15375	2.3
182.15413	3.0
247.80153	0.4
306.20734	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.051
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96571	4.8
57.03417	1.6
58.99839	1.4
61.02926	8.2
69.03413	4.3
69.22712	9.2
73.02917	1.8
77.00892	1.1
79.06866	0.9
82.99841	2.3
84.04494	1.6
85.02909	4.7
89.00890	1.5
97.19955	0.9
98.03111	0.8
100.99136	1.4
101.00882	27.3
103.02435	2.2
103.92390	1.0
105.00339	1.1
110.97557	1.5
113.00859	2.3
113.02361	2.4
115.02432	13.1
116.98604	1.6
119.01920	100.0
120.01973	2.7
121.01658	2.1
127.03870	2.0
129.03944	3.9
131.01912	8.8
131.03423	1.2
133.03459	22.4
135.05020	1.8
137.02946	26.1
142.03423	2.0
143.01894	8.1
144.99812	4.2
145.03464	7.8
146.99629	1.6
147.01378	1.1
147.05037	6.9
149.02974	3.1
151.04506	3.4
155.01909	3.7
157.03439	6.1
159.01361	3.6
160.04428	1.1
161.02954	19.5
162.99104	1.3
163.04474	3.1
165.00697	1.4
167.01872	1.2
168.06538	1.1
168.99814	7.7
169.03487	2.0
171.01376	3.0
171.04904	1.2
173.02934	8.4
175.02441	1.4
175.04509	2.8
177.02440	12.4
178.02496	1.0
179.03983	1.6
184.04527	1.4
185.02969	3.3
186.07599	2.0
187.00870	25.1
187.04497	1.9
189.02467	3.9
190.02211	1.8
190.98611	2.6
191.04044	5.0
196.99303	6.4
199.00882	1.1
200.04054	1.3
201.02483	2.4
203.03983	2.9
205.01935	10.5
205.03731	1.4
205.05524	1.1
208.99786	5.3
210.02571	1.2
215.00378	34.0
216.44957	1.0
217.01978	3.5
217.05450	1.3
219.03523	11.7
220.03197	1.3
221.05090	3.6
229.01917	11.4
229.03882	1.6
230.01781	1.0
233.01476	4.0
237.04555	1.2
238.01877	2.2
239.06108	3.1
243.08144	1.1
247.02985	63.3
247.06735	2.0
248.03082	2.5
251.02299	1.2
265.04050	14.5
265.07657	4.4
270.04688	4.8
288.98752	1.3
289.04047	9.8
307.05038	8.5
307.08978	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	306.1007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68643	0.5
55.05500	0.5
55.93519	0.4
56.05016	0.5
57.03427	1.3
58.99583	0.6
61.02913	2.0
65.03933	2.7
68.05025	1.8
69.03429	5.8
70.06593	0.6
71.04989	0.9
71.50631	0.5
73.02905	1.1
74.06062	0.6
81.03412	2.0
84.04514	2.1
84.08148	5.7
85.01128	1.9
85.02907	13.1
86.09708	0.8
87.04462	1.5
91.03940	0.5
97.02898	3.4
98.00638	1.9
99.02688	3.4
99.04460	1.4
103.03947	0.8
109.02884	1.5
111.04523	0.5
112.02174	0.5
113.02957	2.6
116.98616	0.6
126.03742	26.0
127.03875	2.4
127.04544	2.6
137.05934	0.5
144.04785	100.0
145.05083	3.0
169.13348	0.7
180.02170	0.4
186.05833	2.2
215.13925	2.7
234.98976	0.4
243.17007	3.6
288.09155	0.7
306.10089	10.7
306.16000	0.6
307.16708	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	7.0
55.01863	8.5
55.05511	40.7
57.07058	11.1
59.04982	5.1
65.03917	3.9
67.05502	51.1
69.03412	6.2
69.06733	3.9
69.07065	27.0
70.06574	8.7
71.50508	5.8
79.05490	53.5
81.07053	57.1
82.07397	3.7
83.04977	5.2
83.08611	11.3
85.06534	13.7
88.07613	6.3
89.07963	6.1
91.05475	59.6
93.07040	57.8
95.04940	11.1
95.08607	44.4
96.08918	4.2
97.06515	7.1
97.10152	11.6
98.06062	10.2
105.07026	46.6
107.04938	9.3
107.08552	31.5
109.06506	12.0
109.10152	10.8
115.05467	7.5
116.06216	6.3
117.07043	24.3
119.08566	29.6
121.06481	7.0
121.10125	19.2
123.08066	5.8
125.09627	14.1
128.06189	13.0
129.06976	19.0
130.07863	7.9
131.08560	48.1
131.69691	5.2
133.06470	6.3
133.10133	20.3
135.08032	11.2
135.11655	10.8
137.05977	49.0
137.09570	5.7
142.07761	5.4
143.08531	40.6
145.06535	4.1
145.10091	50.8
147.07999	11.1
147.11664	9.7
149.09576	13.9
155.08440	4.4
157.10100	14.2
159.08087	6.2
159.11671	14.2
160.97595	3.9
161.09590	10.0
163.11197	6.2
169.10133	14.1
171.11708	13.1
173.09612	8.4
175.11180	8.0
180.25995	4.4
181.10110	8.6
183.11694	7.3
184.66096	4.4
185.13202	6.1
195.11690	7.6
208.12379	4.3
213.16452	5.0
217.15886	4.5
227.17870	4.7
237.16365	9.8
245.18956	6.8
255.17424	8.6
273.18439	25.3
287.16510	5.4
287.19833	6.5
305.17868	7.6
305.21185	29.8
305.26694	63.7
305.31400	100.0
306.07327	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	305.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	11.5
61.08570	7.6
63.48083	9.0
67.05503	56.7
69.03416	33.9
69.07063	21.8
70.80170	17.9
71.04990	20.0
79.05475	27.7
81.07060	86.9
83.04940	9.5
83.08613	18.0
85.06544	8.7
85.92715	9.4
91.05465	35.8
93.07056	45.5
95.04957	11.6
95.08610	100.0
97.06532	10.4
97.10137	10.5
105.07032	16.8
107.08579	35.2
108.13512	8.0
109.10160	52.5
119.04935	9.3
119.08567	21.4
121.10132	35.9
123.11714	18.8
133.10127	28.1
135.11621	17.1
137.05969	12.3
145.10121	13.2
148.01915	8.1
151.07576	10.0
151.09937	14.8
151.11121	13.7
181.08698	9.4
188.01476	10.5
191.17966	9.6
199.81808	9.2
201.16412	9.3
202.07904	8.8
209.19023	13.2
215.17892	13.0
233.19012	11.6
251.19980	18.7
262.06128	15.4
277.08517	11.9
287.12863	9.5
305.08044	31.1
305.11621	26.8
305.24713	10.8
306.08734	25.8
306.20575	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	306.0739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.4
57.03434	0.9
57.13773	0.5
61.02914	1.3
67.05486	0.4
67.31709	0.4
69.03432	4.4
70.06577	0.8
70.20120	0.5
70.20473	1.8
71.01341	0.5
71.53635	0.5
72.08157	0.5
73.02932	0.6
74.06080	0.6
78.03452	0.8
80.04995	0.7
81.03408	2.0
83.04973	0.6
84.04503	0.6
84.08150	1.5
85.02906	19.5
87.04469	0.6
90.03445	3.5
91.04221	0.9
95.04957	0.5
97.02911	3.6
98.99987	2.9
99.04421	0.6
106.06583	0.8
108.04440	0.9
109.02872	1.8
111.04458	0.5
123.04503	0.5
126.01070	100.0
126.05527	3.7
127.01888	2.6
127.03907	4.8
128.02612	2.3
136.07596	0.5
137.06027	0.8
144.02115	83.6
145.02463	0.6
145.04990	1.2
148.07524	0.7
152.07047	0.5
163.03912	0.5
165.20914	0.5
176.07109	0.8
186.03156	1.6
196.09702	0.4
196.99010	0.5
207.28563	0.4
236.09212	1.1
257.83319	0.4
262.12625	1.5
288.06290	2.5
288.14166	1.0
306.07077	3.0
306.17136	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72457	0.3
53.03939	1.0
55.05507	0.8
57.07072	0.5
67.05502	2.1
69.07074	1.5
69.74876	0.6
69.75285	1.6
77.03921	0.7
79.05479	1.3
80.05024	0.4
81.07063	3.8
83.08589	0.5
85.02892	2.3
85.06554	1.0
91.05472	4.0
93.07056	4.3
94.06541	1.0
95.04967	1.4
95.08618	2.2
96.08150	1.0
97.06522	0.8
105.07030	0.8
107.08614	1.4
108.04468	0.9
108.08114	2.3
109.02882	0.7
109.06520	0.5
109.10146	1.2
117.85271	0.3
119.08582	1.0
120.08098	0.5
121.10152	1.1
122.06032	3.2
123.08050	0.4
123.11707	0.7
124.03984	0.7
124.07597	9.4
124.08508	0.7
125.09605	0.5
126.05527	0.6
130.05049	0.6
131.03447	0.6
131.08571	0.4
133.10130	0.5
135.11700	0.9
136.07576	100.0
137.07898	1.3
138.09099	0.7
140.07053	1.0
140.08121	0.3
147.11682	0.8
150.05492	0.4
151.11319	0.5
152.07063	18.2
155.14276	0.5
156.47285	0.4
157.10118	0.5
164.07063	75.0
165.07401	1.1
165.12810	0.4
166.08618	0.5
170.08144	3.8
182.08131	15.4
238.07098	1.0
259.14352	0.5
262.06088	0.4
269.12769	1.3
277.12192	0.4
287.13901	5.2
305.11456	1.4
305.14911	1.9
305.24683	2.6
306.09564	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.1
55.01841	0.5
55.05511	1.2
57.03434	0.4
57.07082	0.5
63.47660	0.3
64.77147	0.4
65.03941	0.5
67.05508	3.5
69.03412	0.5
69.07071	2.7
69.81093	1.4
69.81497	0.9
70.06602	0.5
71.04988	1.3
77.03934	0.5
78.77351	0.4
79.05493	2.2
81.03407	0.7
81.07054	7.1
83.04960	0.5
83.08614	0.6
85.02889	0.5
85.06532	0.9
91.05481	4.2
93.05781	0.9
93.07033	6.0
94.06571	0.5
95.04967	2.5
95.08601	4.9
96.08115	0.9
97.06538	0.9
99.08062	0.4
105.07023	2.3
107.08583	4.5
108.08122	1.9
109.06493	1.2
109.10147	3.9
110.06091	0.5
111.08124	0.9
119.08578	1.9
121.06491	0.7
121.10126	3.1
122.06041	3.2
123.08090	0.8
123.11710	3.5
124.07590	9.8
125.09596	0.4
126.05511	1.5
129.06963	0.6
131.08594	1.0
133.10123	1.2
135.08011	0.6
135.11679	1.6
136.07571	100.0
137.06062	0.6
137.07884	1.4
137.09610	1.1
137.13286	0.5
138.09143	0.6
139.11162	0.7
140.07011	1.1
140.51318	0.4
143.08595	0.6
145.10120	1.4
147.11696	1.8
149.13275	1.0
150.05501	1.1
151.11176	0.8
152.07066	16.7
153.12764	0.5
155.14259	1.0
159.11668	1.0
161.05922	0.6
161.13260	0.6
164.07063	76.1
165.07402	1.1
165.12714	1.5
166.08627	0.8
170.08116	4.5
173.13161	1.0
173.92403	0.4
177.12772	0.4
182.08133	13.8
201.16389	1.0
203.07063	0.7
208.63342	0.4
208.65392	0.4
215.07072	0.5
241.13380	0.7
245.09727	0.6
250.37453	0.4
259.14362	1.0
269.12823	1.3
277.12268	0.6
287.13885	5.0
287.23706	1.2
290.09271	0.5
305.08047	1.0
305.11581	2.0
305.14938	2.0
305.21280	0.7
305.24713	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	305.1494
Annotation	NSC 177499
Peak:m/z	Relative Intensity
53.03931	0.6
67.05495	2.8
69.74050	2.2
69.74480	1.8
74.56270	0.6
77.76338	0.7
79.05490	1.3
81.07070	1.3
85.09138	0.5
91.05454	1.0
93.05769	0.9
93.07040	1.1
94.06551	4.6
95.04967	1.4
96.08119	1.3
103.05488	0.9
105.07034	0.8
106.77364	0.6
108.08112	18.0
110.06039	6.1
116.91432	0.7
117.05780	1.6
118.06530	6.0
119.07327	5.4
120.08107	7.6
122.06049	4.6
123.06784	1.9
124.07580	10.1
131.07274	0.7
132.08070	0.6
133.07695	0.6
136.07570	100.0
137.07874	0.9
138.09103	0.7
140.07085	1.7
142.08623	9.2
146.05998	6.2
146.08418	1.7
146.47586	0.6
147.06772	2.5
147.09161	0.7
148.07571	5.7
152.07051	2.5
154.08577	3.6
160.07574	1.9
161.07082	1.5
164.07056	39.5
166.08693	1.2
170.08354	1.0
173.10748	5.4
174.07835	1.8
181.08830	3.0
182.09668	0.9
183.09155	1.5
184.09877	1.4
185.10759	1.6
187.12193	0.6
195.09087	1.6
196.11229	2.2
197.10712	2.4
198.07767	1.4
198.11473	4.3
199.08636	1.4
201.10205	5.6
202.11246	0.7
211.08669	2.8
211.12343	1.0
212.09428	2.2
213.10254	6.8
213.13852	4.0
215.20627	0.7
223.12325	1.5
224.10735	2.8
225.10220	5.2
226.10997	10.0
227.11711	1.3
239.08116	1.1
239.11732	1.4
240.08862	1.2
240.12570	3.2
241.09749	5.5
241.13345	25.1
242.11737	1.2
246.50160	0.6
251.11713	1.4
254.10526	2.8
259.14404	33.4
260.14691	1.0
269.12827	43.3
270.13455	1.1
277.15463	2.6
287.13876	43.4
288.14154	1.1
305.14935	81.6
306.15222	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	305.0182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.9
55.01862	1.5
56.96563	100.0
57.03429	3.1
61.02900	3.0
67.05471	2.3
69.03430	7.3
70.06571	1.5
70.19223	2.7
70.19636	4.6
70.98121	21.8
71.04951	1.4
71.95247	5.6
72.96036	2.8
73.02907	3.9
74.97593	2.8
77.00909	2.3
79.05480	2.9
80.41429	1.3
81.03403	4.6
81.07046	2.2
82.99818	1.5
84.08152	3.0
84.96020	8.2
85.02907	12.4
86.03172	1.3
86.09699	2.6
86.99230	1.2
87.04490	1.7
88.99154	12.8
89.03895	1.3
89.46025	1.2
91.03967	1.6
91.05488	2.1
95.08582	1.4
97.02882	9.6
98.21452	1.9
98.97578	59.1
99.04450	2.5
101.00881	7.4
105.02187	1.6
107.00163	3.9
107.04916	5.6
107.08575	1.5
109.02882	2.1
110.97561	5.8
112.99170	1.5
113.00800	3.4
113.08459	1.3
115.00668	2.3
115.02368	2.3
116.98621	46.0
119.01917	25.4
121.01672	3.2
121.06526	1.5
124.95438	7.7
124.99107	2.0
125.01404	1.5
125.02332	6.7
127.03880	4.5
128.98599	8.2
130.93317	1.8
131.00165	5.4
131.01894	13.4
131.05528	2.4
133.01723	5.4
133.03470	6.6
134.99638	32.5
135.03253	1.6
135.04303	1.7
136.06273	1.5
136.07614	1.7
137.02931	4.0
137.05952	2.3
140.00137	3.1
140.98665	3.0
142.03526	1.5
142.96489	11.4
143.00139	7.3
143.01898	6.3
143.03377	3.0
143.08127	3.3
144.98055	2.7
145.01698	3.3
145.03513	9.8
145.04823	1.6
146.99640	13.2
147.01419	2.7
149.01167	6.2
149.02936	3.1
149.06560	5.2
152.95007	2.0
153.00687	4.7
154.96518	1.8
155.01855	7.0
156.98141	2.7
157.03433	6.0
157.04619	1.9
158.01271	1.8
158.99619	9.5
159.05029	1.8
160.97589	11.8
161.01224	14.0
161.02934	20.0
161.06581	10.9
162.99135	4.0
163.02724	2.8
163.03943	9.2
165.00726	6.9
167.02303	1.8
167.07083	1.5
169.03470	2.9
170.95976	2.7
170.99680	1.3
171.05011	2.4
172.97552	9.3
173.01204	3.9
173.02928	12.5
173.06607	4.6
174.99144	7.7
175.02866	1.5
175.04495	3.2
177.00752	13.7
178.98576	1.5
179.00662	2.0
179.02278	3.4
179.07709	7.1
184.97563	3.8
185.01338	3.2
185.02933	11.8
185.06581	5.0
186.99147	3.7
187.00833	1.5
187.02692	1.3
187.04478	2.9
187.08177	2.0
188.97061	24.3
189.00693	10.2
189.06052	2.3
190.95502	3.8
190.98627	28.5
191.02254	6.0
191.03899	1.7
193.00243	13.3
193.01779	2.9
195.05139	1.8
196.02229	1.5
197.02927	3.4
197.06668	3.8
199.04402	2.5
201.00742	3.3
201.02446	1.7
202.98650	16.0
203.02278	4.7
203.03973	13.4
203.05812	2.8
203.07599	15.2
205.00230	8.6
206.98120	19.0
207.01646	7.7
208.04851	2.6
208.96463	3.9
208.99702	7.1
209.03008	2.0
209.06583	1.7
211.01106	2.4
214.96741	2.0
214.98557	7.0
215.04016	3.6
215.07646	13.3
217.00160	3.4
217.05464	2.8
219.01709	7.6
220.99655	14.8
221.03119	2.5
221.05025	11.3
223.01265	5.9
223.04939	2.0
227.04147	2.2
227.07596	2.6
230.98123	20.5
232.96475	3.6
232.99625	16.8
233.05096	2.0
235.01259	5.4
237.02800	3.4
239.00760	3.1
244.99640	6.4
245.05113	14.1
245.08784	3.4
248.99205	12.6
249.02255	1.7
250.97487	3.2
251.00557	2.8
256.01465	1.6
257.97729	4.4
258.97162	2.0
263.00620	18.4
263.03107	3.4
267.00156	2.0
267.03482	2.5
275.09799	1.9
281.01797	22.6
281.04764	2.4
291.05591	1.7
299.02863	2.7
299.98672	2.6
300.04004	3.8
304.03293	1.9
305.01797	2.8
305.05029	3.6
305.10788	39.8
323.06482	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	304.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.2
55.01863	2.3
55.05508	1.8
57.03416	4.8
57.41632	1.6
58.06612	1.9
60.04512	7.0
61.02914	2.8
61.94409	1.6
69.03432	14.1
69.07066	43.0
71.04977	1.8
71.08632	20.6
71.49931	2.4
71.50648	1.6
72.08131	2.1
73.02912	1.9
74.90074	1.5
75.61800	1.7
79.05482	2.0
81.03427	10.2
85.02904	78.0
86.02429	8.4
86.09698	2.9
87.04431	1.9
91.03964	1.9
91.05457	1.6
96.08125	3.0
97.02891	48.4
97.06519	5.8
99.04448	3.8
103.03929	5.1
105.76905	1.6
106.91342	1.8
109.02881	13.7
114.09174	12.2
115.05403	1.5
118.82579	1.6
124.07586	2.9
127.03917	14.6
130.73779	1.7
131.04892	1.7
136.07533	2.1
138.09152	3.0
142.08633	100.0
145.04942	7.8
145.41922	1.5
156.10187	3.8
167.07147	2.1
184.09686	78.5
202.56024	1.7
208.09654	15.3
224.48947	1.7
231.35045	1.8
250.10764	10.9
260.11996	1.5
264.72308	1.7
268.11810	1.9
287.13681	1.6
304.05237	3.3
304.08362	1.8
304.13849	2.7
305.10306	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	304.139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.5
55.01858	0.5
55.05496	0.2
56.05013	0.5
56.96563	1.1
57.03426	0.9
60.05598	0.3
61.02909	0.5
68.05016	0.5
69.03428	2.7
69.07042	0.7
70.06579	0.7
71.03348	0.6
71.04967	0.3
73.02894	0.5
74.06067	0.9
76.50476	0.2
79.05491	5.0
80.05019	1.0
81.03418	1.3
81.05796	3.8
81.07050	4.7
82.02920	0.7
84.04494	0.5
84.08135	0.3
85.02904	4.8
85.06541	0.3
86.06059	0.6
86.09708	5.1
87.04472	0.5
91.05484	0.4
93.53461	0.3
94.06566	0.8
95.04968	0.4
95.06097	0.3
96.04498	1.2
96.08131	8.9
97.02894	2.1
98.21465	0.3
98.97582	0.7
106.06537	0.8
109.02882	0.8
109.05220	0.4
112.07596	1.0
116.98611	0.5
118.24707	0.3
120.08074	0.3
124.07586	100.0
125.07921	1.1
127.03923	1.0
130.04910	0.3
136.07597	0.4
142.08633	15.1
143.11798	0.9
157.13324	1.5
173.09268	0.4
185.12903	0.4
187.14464	1.3
201.12189	0.3
247.29799	0.3
304.08636	0.8
304.16718	0.3
321.51840	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.0
55.05531	0.6
55.20944	0.5
55.48165	0.5
57.03409	0.6
67.05501	1.3
69.07055	1.0
70.06598	0.9
71.51229	0.6
72.08146	1.0
78.04710	1.6
79.05495	1.9
81.03394	1.5
81.07024	1.0
84.08124	0.8
85.02897	2.4
86.09708	0.8
86.86375	0.5
89.45783	0.5
91.05489	2.9
91.07143	0.6
93.07056	2.6
95.04971	1.3
95.08602	1.6
97.02875	0.7
100.77327	0.5
103.05448	2.3
105.03403	0.8
105.07000	2.0
106.04176	1.2
106.24410	0.5
107.04940	2.3
107.08579	0.7
109.02876	1.8
109.06509	0.7
110.07158	0.7
111.08035	0.5
117.06983	0.6
119.08604	0.8
121.06488	2.5
121.10147	0.9
122.03643	0.8
123.04430	4.7
124.05206	1.7
125.02380	0.6
125.05978	0.5
129.06989	0.8
131.04822	0.7
131.08546	0.5
133.06456	1.5
134.03633	0.6
135.11655	0.9
137.05962	3.0
142.08646	0.6
147.04308	0.7
149.05957	3.9
150.05426	0.6
151.03893	0.9
151.07521	0.6
152.04686	1.1
153.05455	1.6
153.74173	0.6
161.06017	1.0
165.05473	1.0
165.06970	1.3
167.07040	100.0
168.07422	1.7
175.03952	0.7
177.05504	0.6
179.07069	0.9
181.08615	2.7
184.09625	0.6
191.06938	0.5
191.61311	0.6
191.69904	0.7
193.08574	4.0
195.01921	0.6
197.06102	0.6
200.99614	0.6
211.07834	0.7
211.09671	3.3
227.09116	0.6
271.06329	1.0
271.09271	0.6
285.12363	1.6
303.05005	2.4
303.08838	1.5
303.13205	1.1
303.23135	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.18
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41738	0.8
53.03938	0.9
55.01853	3.2
55.05508	16.6
57.03428	1.2
57.06805	0.8
57.07070	14.1
57.14188	0.8
65.03939	1.2
67.05495	5.3
69.03432	10.3
69.07066	100.0
69.94791	1.6
69.95193	2.2
70.07407	0.9
71.01347	1.5
71.04974	2.8
71.93582	0.9
79.05495	4.2
81.07056	9.2
83.04952	1.4
83.08617	37.6
85.02374	1.0
85.02899	19.1
91.05484	6.4
92.10904	1.0
93.07042	8.1
95.04945	1.6
95.08605	11.0
95.41814	0.8
97.02886	20.7
97.06517	9.2
97.10137	2.4
98.21427	1.0
99.04424	1.5
100.09446	0.9
100.11234	2.4
102.70283	0.8
103.05444	4.0
105.06999	3.5
107.04966	1.3
107.08591	9.3
109.06524	1.7
109.10167	7.4
111.04455	1.2
111.08060	2.9
111.11740	1.4
115.03934	7.1
119.04932	1.9
119.08562	2.5
120.08118	1.5
121.06498	3.7
121.10104	1.9
122.03636	1.7
123.04417	1.8
123.08058	1.9
123.11691	2.5
125.13261	9.0
129.07037	1.3
131.04948	6.5
131.08604	1.0
133.02811	1.3
133.10144	2.3
134.03578	1.1
134.48637	0.8
135.04396	1.4
135.08032	1.9
135.11693	9.6
137.05954	9.0
141.06984	1.8
143.08592	1.1
143.14351	4.3
145.10135	1.5
147.11708	1.7
149.05977	4.4
151.03868	1.4
151.07549	8.4
152.06161	1.5
153.01866	1.2
153.05666	5.4
153.06883	5.6
153.12740	37.7
155.08495	4.1
157.06471	1.7
157.10098	1.3
159.11595	1.1
163.07530	3.2
165.07005	12.7
168.05750	5.1
169.06424	3.0
169.62621	0.8
171.13808	11.6
175.07599	1.4
179.07069	0.9
181.06453	4.0
182.07239	1.7
183.08041	13.2
185.05898	1.3
187.07532	0.9
193.06425	2.7
196.05234	2.9
197.05904	2.4
199.07588	1.1
200.08372	1.5
201.09087	1.0
201.16481	1.0
207.04419	3.1
209.16580	1.2
210.06755	1.9
211.07562	13.1
212.08269	2.0
213.05344	1.6
215.10695	3.2
225.09117	2.7
227.06821	1.2
228.07784	1.9
239.06979	3.7
243.10188	8.9
245.08109	1.3
257.11844	1.0
258.27167	0.9
260.05682	1.6
271.09647	15.5
272.10272	2.6
285.22028	1.2
288.05292	1.7
288.09946	3.7
291.32919	0.9
303.04834	5.4
303.07666	1.6
303.12354	8.0
303.23151	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	303.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.8
56.57892	0.6
60.68660	0.5
65.03938	4.3
67.05489	1.9
68.99785	0.9
69.07060	1.4
71.04986	1.0
71.49836	0.6
71.50283	1.2
75.18752	0.5
75.36169	0.7
79.05492	1.4
81.03394	0.7
81.07053	2.0
86.09721	0.9
91.05470	3.9
92.04995	4.9
93.07044	0.8
94.06576	0.8
95.04964	0.9
95.08601	1.3
97.06530	0.8
103.05465	3.0
105.07014	1.4
107.04953	1.4
107.08579	1.5
109.10145	1.2
111.18346	0.6
115.05366	0.7
119.04942	1.2
119.75277	0.6
120.08105	3.5
121.06492	2.1
121.10196	0.8
122.03603	0.6
123.00763	1.9
123.04482	0.6
124.07606	0.7
124.11302	0.7
129.06985	0.8
131.04915	2.7
131.08582	0.7
133.02925	0.8
133.10100	1.0
135.04413	1.2
135.11725	0.6
137.02325	1.8
137.05975	7.9
138.05493	28.1
138.09129	12.8
141.07007	0.7
144.08046	0.7
146.06088	0.6
147.04372	0.9
147.11713	1.1
148.03897	0.7
149.05948	2.0
150.09113	1.8
151.07579	3.5
153.01810	4.9
153.05453	2.5
153.06972	2.8
155.08578	1.7
157.06461	0.7
157.10165	1.0
161.13286	0.6
162.05397	0.7
163.05022	1.1
163.07501	1.6
165.07039	5.9
166.04996	43.3
167.05154	0.7
168.05664	2.5
169.01421	1.1
174.09166	0.8
181.06491	1.7
182.07362	0.7
183.08026	6.1
184.11189	1.9
186.09154	0.8
186.12823	1.1
187.11026	0.7
193.06424	0.8
194.09828	0.7
196.05174	1.2
196.09930	1.5
197.05920	0.8
198.09274	0.9
200.09416	1.1
201.05457	1.4
201.10294	0.7
203.03346	0.6
207.04449	1.7
209.05847	0.7
210.06641	0.7
211.07481	7.6
211.12350	2.5
212.10660	4.4
212.12476	0.7
213.05440	1.2
214.08882	0.8
214.12402	4.1
215.10773	0.9
216.10159	0.7
225.09195	0.7
227.06967	0.8
228.08786	0.7
229.04955	6.1
229.09749	1.5
229.13280	3.0
230.11780	2.8
232.13278	3.2
239.07065	1.4
239.11827	1.8
240.10281	1.8
241.13432	0.8
242.11920	3.0
243.10263	4.0
245.04402	1.8
245.07988	1.0
256.08347	2.1
257.04404	6.8
257.09152	2.0
257.12866	12.9
259.05975	4.9
259.11926	1.8
260.12866	3.9
267.11267	1.8
268.09586	1.0
271.09628	9.0
272.11597	14.3
274.09497	8.9
275.05527	4.7
275.10391	1.5
275.13895	7.6
285.03885	4.6
285.12332	19.0
286.10577	1.5
288.09976	2.1
303.05005	28.8
303.13373	100.0
303.17572	3.6
304.05377	2.1
304.13696	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	303.1226
Annotation	Dalberatin E
Peak:m/z	Relative Intensity
52.71450	2.2
54.98410	2.3
55.05508	2.8
65.74075	2.3
67.05511	3.8
69.40004	19.9
71.04996	2.7
79.05489	3.2
81.07044	5.1
83.04965	2.7
91.05472	6.4
91.43904	2.0
93.07018	3.2
94.04172	3.1
95.08592	4.2
103.03928	2.7
103.05457	3.9
105.07015	4.0
107.08575	4.0
107.68532	2.2
109.10146	2.5
112.50402	2.4
119.08598	3.1
121.06488	5.3
122.03642	7.6
131.04945	4.8
133.10147	2.9
137.05977	100.0
138.06268	2.4
145.10118	3.3
147.04431	4.7
149.05971	4.8
151.07541	9.7
153.01778	3.0
153.05470	7.3
153.06935	4.7
163.04041	2.2
165.05733	2.1
165.06984	14.4
168.05667	4.3
181.06442	6.2
182.07324	3.2
183.08118	16.4
183.09621	3.3
193.06526	3.0
196.05240	2.6
207.04395	4.4
211.07573	13.3
212.08104	2.4
215.10629	4.1
222.54350	2.4
239.06985	4.6
243.10219	8.5
258.05154	2.7
259.05469	4.5
260.05829	21.7
271.09619	12.6
272.10406	2.8
275.34723	2.4
288.05249	32.9
303.04834	7.6
303.07632	50.2
303.12219	7.2
303.23141	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	303.1226
Annotation	Phoyunbene A
Peak:m/z	Relative Intensity
51.02402	1.4
55.01868	6.6
55.05505	1.7
56.38240	1.2
59.04976	1.3
65.03938	2.0
67.05493	3.3
68.94344	1.1
69.03408	1.5
69.07059	1.4
69.47662	8.1
71.04984	5.0
79.05482	3.9
81.03434	1.7
81.07059	3.3
83.04982	2.9
87.04447	1.2
89.03877	1.1
91.04914	2.1
91.05477	26.5
93.03361	1.7
93.07059	4.2
94.04170	1.8
95.04962	6.8
95.08593	4.1
97.06503	2.6
99.04455	8.7
103.05462	22.3
105.07029	6.0
107.04934	6.2
107.08590	2.6
108.05843	1.1
109.06507	1.7
109.10133	2.3
111.04453	8.7
113.06020	1.8
115.05439	5.5
117.03370	1.4
117.07048	2.2
118.04155	1.6
119.04959	12.3
119.08595	2.2
121.06501	18.7
121.10119	1.5
122.03641	3.9
123.04402	5.9
123.08105	2.0
125.05994	2.7
126.08483	1.2
127.03902	3.8
129.05527	1.5
129.07019	3.4
131.04922	30.9
131.05846	2.2
133.02808	5.7
133.06442	1.8
133.10182	2.2
134.03642	4.9
135.04399	2.8
135.08046	2.3
136.05215	2.3
137.05963	34.2
138.03119	2.7
139.05449	1.6
140.04630	1.8
140.06229	3.3
141.07001	9.3
143.04890	3.0
144.05734	1.9
145.06454	6.3
145.10184	2.2
147.04434	4.3
148.05194	1.2
149.05981	20.4
150.06741	2.7
151.03908	4.7
151.07536	52.6
152.06163	7.1
153.05481	26.7
153.06998	30.3
154.07736	4.0
155.07286	1.9
155.08575	22.9
157.05377	1.2
157.06522	5.3
159.11765	1.3
160.05191	2.1
161.05989	3.3
163.03874	3.1
163.07541	25.1
165.05588	4.2
165.06992	73.4
166.07423	3.8
167.04955	1.5
167.07014	5.1
167.08432	1.4
168.05702	25.9
169.06512	9.5
170.07289	2.2
171.08168	1.5
173.06026	1.8
174.06715	1.8
175.07594	7.6
176.08339	1.6
177.05490	1.4
177.09125	3.3
179.04965	3.4
179.07057	3.9
181.06512	18.9
181.08580	5.8
182.07248	10.9
183.08046	78.6
184.05174	1.6
184.08577	2.8
185.05939	7.6
187.07567	3.7
189.09166	3.2
193.06319	11.7
193.07964	1.5
194.07234	2.5
195.08002	3.1
196.05171	20.7
197.05977	11.9
197.09654	6.1
198.06837	2.6
199.07564	8.3
200.08331	6.7
201.09065	5.5
203.07053	1.9
207.04413	18.9
209.05989	4.5
210.06744	8.3
211.07530	84.0
212.04848	2.3
212.08266	10.8
213.05489	13.2
213.09052	4.1
214.31136	1.2
215.10620	14.5
221.05867	7.3
223.03853	1.4
224.04727	2.5
225.05595	2.4
225.09106	12.3
226.06372	1.2
227.06990	8.3
228.07791	13.1
229.08548	2.1
230.05630	1.3
239.07034	25.4
240.07675	2.0
241.04982	2.9
241.08647	2.4
242.09392	4.7
243.10164	60.7
244.10460	1.9
245.04279	1.5
245.08163	8.0
245.43138	1.3
253.08635	4.3
255.06586	4.1
256.07239	7.2
257.08112	2.9
257.11600	2.0
259.05771	1.3
259.09692	1.3
265.18243	1.2
270.08859	1.5
271.09637	100.0
272.10297	12.0
275.12833	5.6
285.11288	3.2
288.05228	1.7
288.09900	15.3
303.04996	3.6
303.12271	48.6
303.17642	2.1
303.23233	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0839
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46413	7.8
57.03430	15.3
61.02913	33.2
69.03425	50.1
69.83101	33.8
69.83513	16.3
70.06570	11.0
71.04988	25.7
72.08134	13.3
73.02927	24.5
81.03423	15.0
85.02907	100.0
86.03223	7.8
87.04520	8.0
92.94804	8.1
97.02881	22.8
98.06030	10.3
98.97563	14.2
99.04432	16.7
101.00854	12.9
109.02855	12.5
116.07044	11.9
116.49249	7.1
119.01904	31.8
126.04147	8.2
127.03929	33.9
131.01898	25.3
133.03465	9.5
137.05945	14.0
145.03481	16.2
145.04799	8.9
161.02985	10.4
163.02670	10.4
171.04987	9.0
173.03036	9.6
194.04225	9.6
201.06062	13.9
213.03351	12.8
213.05402	12.3
221.03032	9.9
221.05048	19.3
223.04741	10.5
236.46886	7.8
237.06123	11.9
243.00008	9.6
280.09393	10.0
303.08310	50.0
303.10684	43.3
303.15558	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	303.1227
Annotation	Phoyunbene A
Peak:m/z	Relative Intensity
50.51960	2.4
54.77781	2.3
55.01860	5.9
65.03932	3.3
66.71699	2.5
67.05500	5.6
69.07067	2.4
70.96475	5.3
71.05006	3.7
79.05482	4.7
81.07021	4.7
91.05478	29.1
93.07034	5.0
94.04180	2.5
95.04973	8.6
95.08609	5.9
97.06527	4.4
99.04461	7.4
103.05468	26.6
105.07046	13.3
107.04941	6.8
107.08573	4.4
111.04446	7.6
115.05477	4.5
117.07011	4.4
119.04928	13.7
119.08571	7.0
121.06504	17.2
121.10107	2.8
122.03632	6.5
123.04417	4.0
127.03896	4.2
129.07011	4.6
131.04948	29.0
131.08566	3.1
133.10077	3.9
133.45123	2.5
134.03635	4.8
135.04427	3.6
136.05249	2.9
137.05977	74.2
140.06195	4.1
141.06989	9.9
143.04948	5.2
145.06512	4.4
145.10156	3.7
147.04436	6.2
147.11699	6.3
149.05994	22.5
151.03937	6.4
151.07555	45.6
152.06206	6.8
153.01868	3.1
153.05461	29.1
153.06982	31.4
154.07764	5.0
155.07321	3.9
155.08545	25.1
157.06537	4.9
157.10176	2.8
159.11688	4.6
161.05949	4.7
163.03912	4.4
163.07556	26.0
164.04887	2.2
165.05626	2.8
165.07002	73.4
167.07080	6.7
168.05695	29.3
169.06482	7.6
175.07576	4.5
177.05432	3.0
177.09155	6.9
179.04822	3.0
179.07066	3.6
181.06497	18.6
181.08543	4.6
182.07260	14.0
183.08060	79.7
184.05214	3.6
185.06001	10.2
187.07607	4.3
189.05324	2.6
189.09064	3.9
193.06424	14.1
195.04474	3.9
195.08223	3.8
196.05177	25.5
197.05997	11.1
197.09636	3.5
198.06686	5.2
199.07506	8.1
199.14746	4.2
200.08382	8.0
201.09178	2.6
201.16393	4.8
207.04414	15.1
209.06104	5.2
210.06761	7.7
211.07553	86.3
212.08194	10.0
213.05403	13.7
213.09062	3.1
213.16426	2.6
215.10693	14.2
221.05980	6.4
225.05577	3.6
225.09084	13.5
227.06976	6.7
228.07834	10.4
229.08495	2.8
239.07005	22.4
242.09398	4.4
243.10182	56.0
245.08170	9.9
253.08565	4.1
255.06403	2.7
256.07379	3.9
257.08051	3.2
260.05777	9.5
270.05435	3.2
270.08792	4.3
271.09637	100.0
272.10272	16.6
273.07635	4.2
275.12799	6.4
285.03799	3.3
288.05212	12.1
288.09940	24.1
303.04623	17.9
303.07709	21.4
303.12253	56.5
303.23120	10.5
304.12830	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	303.0838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18972	1.3
55.05488	2.0
56.96560	19.2
57.03424	1.8
57.07077	1.4
57.40244	1.3
57.89690	1.3
61.02915	1.5
63.30779	1.3
64.33208	1.3
67.05503	2.2
69.03418	5.5
69.89820	2.7
69.90239	5.8
70.06596	2.2
71.95273	1.5
73.02905	2.2
81.03415	3.1
81.07039	2.3
83.15536	1.3
84.08134	2.2
84.96029	2.3
85.02898	11.0
85.06492	1.5
86.35397	1.5
95.08591	2.7
97.02900	4.6
98.97577	100.0
107.04987	2.8
109.02887	2.5
109.10114	1.7
110.07168	2.1
110.97583	3.4
111.04481	1.5
116.98615	66.5
119.01919	3.1
121.10191	1.5
123.04406	2.1
127.03947	2.7
128.90201	1.3
128.98595	6.3
129.10237	1.9
131.01875	3.3
134.99657	26.6
135.04320	1.6
137.05942	1.6
140.00212	2.9
140.03421	3.7
141.03818	4.8
143.00175	1.9
146.99666	5.4
153.00696	2.5
156.02495	1.5
158.01221	2.7
158.99655	37.3
161.01224	3.5
161.03069	1.6
163.03877	2.1
173.02859	1.8
177.00710	61.7
177.04306	2.9
189.00690	1.4
195.01773	5.7
195.05396	1.4
200.02310	5.9
219.01724	14.9
221.05037	2.3
237.02805	10.8
271.78574	1.5
298.97330	1.6
303.07773	5.6
303.10779	20.9
321.08463	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	303.0497
Annotation	Quercetin
Peak:m/z	Relative Intensity
53.03937	0.1
55.01855	0.4
57.38540	0.1
62.48696	0.1
65.03935	0.6
65.43026	0.1
67.01859	0.3
67.05492	0.4
68.99788	2.5
69.03408	0.3
71.04965	0.1
71.47289	0.3
79.05476	0.2
81.03403	0.8
81.07069	0.2
85.02886	0.2
91.05456	0.4
93.03386	0.9
93.07024	0.3
95.04945	0.9
95.08594	0.3
103.05464	0.2
105.03362	0.2
105.07027	0.3
107.04945	0.3
107.08563	0.2
109.02871	1.1
111.00799	2.1
111.04406	0.2
115.05476	0.2
117.07015	0.5
119.04927	0.2
119.08569	0.2
121.02856	2.1
121.10100	0.1
123.04414	0.9
127.03892	0.5
128.06235	0.1
129.06976	0.2
131.04918	0.3
133.02858	0.3
133.06464	0.1
135.04433	0.6
135.11690	0.2
137.02336	7.6
137.03407	0.4
137.05962	0.5
141.07034	0.2
143.04919	0.2
145.02818	0.2
145.06493	0.9
145.10085	0.3
147.04375	0.2
147.11707	0.3
148.29073	0.1
149.02341	0.9
149.05992	0.1
151.03925	0.2
151.07556	0.2
153.01823	10.9
153.06992	0.2
154.02162	0.3
155.04872	1.1
155.05962	0.2
155.08586	0.2
157.06477	0.2
157.10167	0.2
159.04443	0.3
161.06004	0.7
163.03897	1.3
165.01833	3.9
165.07004	0.3
166.02573	0.5
167.03458	0.1
171.02827	0.2
173.05992	1.5
177.01872	0.2
177.05490	0.3
179.03416	0.3
183.02864	1.5
183.04417	0.9
183.08063	0.3
185.06013	0.3
187.03949	0.9
191.03362	0.5
191.07094	0.3
195.02840	0.5
199.14877	0.2
200.04601	0.1
201.05458	4.4
202.05766	0.2
203.03375	0.2
205.04941	0.5
205.52951	0.1
207.02867	0.3
211.03893	0.5
211.07587	0.3
213.05450	0.2
215.03352	0.2
219.03093	0.3
219.06479	0.5
223.28526	0.1
228.04247	0.8
229.04944	9.9
230.05319	0.3
231.69664	0.1
239.03485	0.6
239.06833	0.1
243.10213	0.3
245.04453	0.3
246.05266	0.2
247.06036	1.4
257.04422	5.6
258.04840	0.3
271.09622	0.3
274.04749	1.4
275.05426	0.9
285.03915	2.5
303.04962	100.0
304.01862	0.3
304.05322	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0411
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31978	0.5
63.46280	0.4
65.74715	0.4
69.98763	1.3
69.99156	1.0
76.99564	0.4
80.32526	0.5
95.08580	0.5
96.11442	0.5
98.20866	0.6
98.97564	0.8
101.00883	1.6
116.98576	0.8
119.01920	6.6
120.01968	0.7
137.02942	2.1
153.00957	0.6
158.93741	0.5
158.99873	0.8
163.14946	0.5
177.00955	15.6
178.01050	2.6
179.00702	2.1
182.99840	0.7
201.00986	1.2
217.04094	2.5
218.03757	1.2
219.02010	23.5
220.02069	5.5
221.01753	6.6
222.01999	1.0
225.00954	1.8
226.01239	0.5
238.22321	0.5
243.01961	7.1
244.02119	1.9
256.05865	0.6
259.00201	0.6
261.03052	100.0
262.03195	27.9
262.05475	0.4
263.02917	3.5
284.04617	4.2
284.99652	1.3
285.04568	2.0
301.01035	1.7
303.01117	3.3
303.05740	7.0
304.01187	0.6
304.05200	0.5
322.61578	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0497
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94305	0.2
53.03923	0.3
55.01871	0.3
65.03939	0.7
67.01865	0.6
67.05492	0.5
68.99792	2.9
70.38277	0.6
70.38659	0.6
79.05475	0.4
81.03416	1.2
91.05486	0.5
93.03378	0.8
93.70142	0.2
95.04964	0.7
98.20900	0.2
103.05452	0.4
105.07029	0.4
107.04951	0.5
108.08069	0.2
109.02869	1.6
111.00798	2.1
117.06989	0.5
119.04954	0.4
121.02858	2.5
123.04433	0.8
127.03957	0.6
131.04926	0.7
135.04393	0.6
135.90117	0.3
136.07539	0.2
137.02342	7.9
137.03387	0.4
137.05943	0.4
145.06496	0.9
149.02319	0.9
153.00575	0.5
153.01831	10.5
155.04890	1.0
155.06027	0.3
159.04349	0.4
161.05962	0.9
163.03891	1.6
165.01830	4.6
166.02567	0.4
173.05981	1.6
177.05411	0.4
179.03403	0.5
183.02882	1.2
183.04463	0.9
183.08023	0.3
187.03899	1.1
195.02896	0.6
197.99878	0.2
201.05501	5.2
203.03548	0.2
205.04987	0.8
207.02892	0.3
211.03955	0.6
211.07697	0.3
215.03314	0.4
219.06566	0.6
228.04062	0.8
229.04964	9.9
230.05270	0.6
232.03624	0.3
239.03369	0.5
243.11328	0.3
246.05183	0.3
247.05891	1.4
256.10757	0.4
257.04422	5.0
258.04752	0.4
274.04773	1.9
275.05402	0.5
285.03952	2.4
286.11984	0.4
303.04977	100.0
304.05298	5.2
304.12842	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34760	1.1
53.03938	1.2
54.75186	1.1
55.01853	1.4
57.03429	3.3
61.02914	2.6
65.03942	1.6
66.16981	1.1
67.05141	1.6
67.05502	32.0
69.03425	15.1
69.07072	13.0
70.06581	2.4
71.04998	1.4
71.50129	2.5
73.02927	1.3
74.27593	1.2
80.05001	1.8
81.03415	5.4
81.07073	1.3
83.90743	1.3
84.08115	2.1
85.02903	40.8
91.05452	2.4
94.06569	1.7
95.04971	51.0
97.02301	2.4
97.02888	33.2
99.04453	1.4
103.03925	3.2
108.04436	1.7
109.02859	7.3
112.07607	30.5
113.05989	3.7
115.03905	1.2
122.06048	2.1
123.04446	1.3
124.07610	2.8
126.05509	1.2
127.03905	8.2
136.07588	2.8
140.07060	100.0
145.04991	3.3
152.29112	1.2
154.08632	5.9
159.63664	1.1
164.07104	2.0
178.08607	2.5
182.08130	62.5
183.08345	1.1
183.48329	1.0
199.53912	1.4
206.08145	12.5
218.08235	1.7
236.09212	2.1
248.09169	8.7
302.12128	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	302.0871
Annotation	4-Nitrophenol-alpha-D-galactopyranoside
Peak:m/z	Relative Intensity
52.84055	0.2
53.03931	0.3
54.93200	0.2
55.01871	0.4
55.05501	0.5
56.96333	0.3
56.96568	2.8
57.03420	1.1
61.02919	1.9
69.03091	0.4
69.03428	4.1
70.06581	1.0
70.98096	0.3
71.04987	0.2
71.49668	0.3
72.08141	0.8
73.02916	1.2
76.26414	0.3
76.96033	0.3
78.03448	0.9
79.05478	0.3
79.31042	0.2
81.03426	2.1
81.07063	0.3
84.08141	0.6
85.02381	0.6
85.02900	11.3
86.09693	0.5
87.04476	0.7
91.03925	0.4
91.05472	0.5
93.07037	0.3
94.02938	0.3
94.89277	0.2
95.08572	0.3
97.02890	4.3
97.06516	0.4
98.97571	3.2
99.04430	0.8
103.09742	0.2
109.02907	1.2
109.06484	0.3
112.07635	0.4
116.07027	0.3
116.98618	2.5
119.01903	0.8
122.02376	0.9
122.06020	0.7
124.03956	0.3
127.03922	1.7
128.98590	0.5
129.10179	0.4
131.01886	0.4
134.06004	0.3
134.99651	1.1
140.03416	100.0
141.03769	1.1
143.01892	0.5
144.98061	0.3
145.03471	0.3
145.04930	1.4
146.99612	0.7
147.04488	0.3
149.04826	0.6
152.07158	0.3
155.01941	0.3
158.99661	0.9
160.06352	0.3
161.01184	0.6
161.02934	0.6
173.03011	0.4
174.04379	0.4
176.05145	0.3
177.00711	1.8
186.04349	0.4
190.98703	0.3
197.01184	0.4
200.02486	0.4
204.05392	0.6
219.01758	0.9
221.05003	0.4
222.05228	0.3
237.02870	0.7
253.07437	0.5
271.08597	0.6
284.04654	0.4
287.05048	0.5
297.06427	1.0
302.08926	1.7
302.11963	0.4
302.21951	0.4
303.10516	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.7
54.52652	1.0
57.03430	2.4
62.11208	1.2
63.14744	1.2
65.03934	2.3
67.05500	31.8
69.03431	18.0
69.03784	2.3
69.07063	8.6
69.78931	8.3
70.06583	2.2
71.04999	1.2
73.02900	1.4
74.06075	1.0
77.55991	1.1
79.05512	1.2
80.05038	1.3
81.03415	6.5
83.45693	1.2
83.88657	1.1
84.04498	3.9
84.08155	2.7
85.02904	43.1
86.06077	1.4
86.09702	3.3
91.05463	1.6
93.07054	1.4
94.06549	2.7
95.04965	49.9
95.06022	1.7
96.05281	1.5
97.02298	2.4
97.02895	32.9
97.03523	1.7
99.04432	2.6
103.03938	4.5
104.22785	1.4
105.07050	1.5
109.02858	8.6
110.06033	2.6
112.07604	30.0
112.08367	1.7
113.06008	2.1
119.04942	2.5
122.06042	2.7
122.09624	1.3
123.04421	6.4
124.07596	3.0
127.03917	8.1
130.04997	3.4
135.04356	2.2
136.07623	3.3
137.05984	4.4
138.09113	6.4
140.07062	100.0
145.04941	3.0
147.04356	1.9
147.07672	2.9
150.09149	2.0
153.05498	1.3
154.08600	7.0
157.17232	1.5
163.03941	1.8
164.07037	3.4
165.05531	1.9
165.06967	1.3
167.03674	1.6
170.08240	1.5
178.08627	2.8
181.06471	3.5
182.08130	63.9
183.08150	2.0
187.12651	1.4
199.07420	1.3
206.08119	13.9
208.09755	1.1
218.08156	2.6
220.09712	1.8
226.06255	2.4
227.06946	2.9
236.09311	3.0
241.08510	1.6
243.10190	1.4
248.09134	8.8
252.08606	1.5
266.10193	2.6
271.06354	2.4
271.09604	1.9
284.11374	1.8
302.11359	21.6
303.05093	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	302.0571
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	0.9
57.74730	0.3
58.79755	0.3
71.49251	0.5
72.35449	0.3
74.70821	0.4
94.91492	0.4
98.97564	1.8
101.00889	0.6
107.31910	0.4
110.64972	0.4
116.98624	1.5
119.01916	6.6
121.01649	0.4
134.99721	1.4
136.86440	0.4
137.02963	2.4
153.00748	0.3
158.99843	0.5
161.02731	0.4
175.08144	0.4
177.00943	17.0
178.01062	2.8
178.64188	0.4
179.00635	2.7
180.00854	0.4
181.00587	0.4
200.02556	0.8
201.00920	0.8
202.00980	0.6
209.00066	0.4
211.75745	0.4
212.95580	0.6
216.03818	0.4
217.04092	2.5
218.03590	1.8
219.01997	24.4
220.02040	6.7
221.01740	11.5
222.01930	1.3
225.00809	2.9
234.99797	0.4
236.00172	0.6
242.03647	1.2
243.01936	7.0
244.02122	0.4
258.04871	0.5
259.00253	0.5
259.51801	0.4
260.00174	0.5
260.02426	0.9
260.04990	3.1
261.03052	100.0
262.03171	7.6
263.03140	1.1
266.03616	0.4
267.18796	0.4
269.95380	0.4
276.06097	0.6
277.00903	0.8
278.00827	0.4
278.03668	1.4
278.96838	0.8
279.00494	1.3
283.00031	1.0
284.00156	1.3
284.04694	7.1
284.99805	0.6
296.97729	1.0
301.01138	1.2
302.00781	2.4
302.05884	12.6
302.22110	0.5
303.00897	1.6
303.05701	2.1
319.98782	0.5
320.04877	0.8
320.08246	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.216
Annotation	9-cis-Retinoic acid
Peak:m/z	Relative Intensity
53.03920	1.3
55.01873	1.6
55.05508	7.2
57.07074	12.2
59.04993	1.4
67.05509	13.9
69.03419	4.5
69.07055	8.8
70.06593	13.5
71.04973	2.3
71.08614	3.0
79.05491	10.3
81.07057	15.7
83.04961	3.0
83.08596	2.1
85.06491	1.4
85.10128	1.5
88.07629	17.2
91.05482	13.9
93.07040	18.1
95.04977	8.3
95.08608	18.0
97.06522	3.8
97.10147	1.3
102.09184	5.7
103.05453	1.4
105.07029	23.8
106.08665	10.1
107.04932	1.9
107.08598	21.6
109.06516	18.1
109.10144	12.1
111.08046	2.0
114.08042	1.2
115.05415	1.7
117.07007	7.6
119.08578	27.4
121.06505	4.2
121.10154	18.1
123.08073	8.9
123.11703	4.9
125.09581	2.2
128.06160	1.7
129.07037	5.5
130.07774	2.3
131.08577	24.2
133.10139	19.0
133.27708	1.2
135.08057	11.6
135.11685	6.1
137.09602	2.4
139.11220	2.1
141.06972	1.7
142.07730	1.9
143.08572	10.6
144.09312	3.6
145.06570	1.1
145.10118	26.1
146.07243	4.0
147.07999	1.8
147.11710	8.2
149.09602	2.0
149.13242	4.7
151.07474	2.2
151.11044	1.4
153.01859	1.4
154.76823	1.2
155.08534	1.6
156.09265	2.0
157.10127	10.1
158.10947	8.3
159.08022	2.3
159.11693	9.6
161.08324	1.9
161.09621	29.0
161.13229	2.5
163.11195	3.0
168.09308	1.7
169.10147	2.1
169.74315	1.2
170.10934	2.0
171.11650	6.0
173.09608	2.7
173.13271	43.1
174.13783	1.5
175.11269	2.6
175.14767	6.0
175.69189	1.2
179.08562	2.1
181.10129	1.5
183.11700	3.5
184.12395	1.2
185.13266	7.1
187.14798	3.8
189.12703	1.6
189.16333	1.8
191.14317	11.5
194.10817	1.9
195.11703	2.7
197.13322	3.4
199.14851	4.1
201.12755	3.7
201.16356	3.7
203.14207	2.0
209.13264	6.2
213.16321	2.3
217.15819	1.6
218.02087	6.9
223.14771	4.1
225.16428	2.5
226.11032	1.4
227.14328	3.7
233.04449	11.6
241.19510	2.4
245.15251	1.2
258.05264	13.5
259.20569	2.5
265.19452	4.5
269.12708	2.7
283.20529	10.5
284.29449	7.0
286.04694	17.0
301.07047	31.4
301.21628	27.4
302.07373	3.5
302.30521	100.0
308.84015	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2161
Annotation	SCHEMBL18714031
Peak:m/z	Relative Intensity
53.03937	1.9
55.05322	1.3
55.05509	12.9
57.07065	5.9
58.06614	1.9
59.27808	1.6
62.06091	31.8
63.06416	2.8
67.05499	24.7
69.07063	11.0
71.08625	3.8
79.05498	13.4
81.07046	20.5
82.62982	1.6
83.04998	2.5
83.08624	7.7
85.06565	1.6
91.05468	15.3
93.07041	25.1
95.08607	100.0
96.08932	2.0
97.10151	3.3
98.21013	9.7
105.07024	22.8
106.53920	1.5
107.04288	1.6
107.04954	3.0
107.08590	33.8
108.37835	1.5
109.06556	2.1
109.10143	20.1
111.04443	4.0
112.35338	1.3
115.05424	1.7
117.06972	4.3
119.08575	25.2
121.06499	2.2
121.09324	2.9
121.10137	25.6
123.08037	2.3
123.11697	8.7
125.05995	6.9
125.09613	2.3
129.06979	2.4
131.08562	5.6
133.10124	19.1
135.11687	14.2
137.05984	4.5
141.06961	1.7
142.07841	2.4
143.08594	7.4
145.10124	13.1
147.08000	2.7
147.11668	11.5
149.13264	5.3
151.11075	2.3
152.54333	1.6
153.09077	1.7
156.09259	1.9
157.10120	6.7
159.11699	15.5
161.09659	2.0
161.13269	6.6
163.11186	2.0
163.14799	3.5
165.09062	1.8
167.41084	1.4
170.10950	1.7
171.11673	10.1
173.09546	2.2
173.13237	5.6
175.14841	2.4
179.10658	5.0
185.13251	6.9
187.11179	7.8
187.14792	4.6
191.10681	3.7
197.13214	2.0
199.11153	2.3
199.14818	7.8
201.16411	5.0
203.10709	1.8
203.17979	7.0
205.12283	8.8
207.13747	1.8
213.12791	4.0
213.16451	3.3
217.12215	5.1
219.13771	3.4
231.13803	8.6
239.18002	2.5
241.15916	2.2
241.19496	4.2
245.15366	6.4
255.21123	9.6
257.22644	2.0
258.05237	10.8
259.16757	2.2
283.20541	10.6
284.26672	2.5
286.04770	17.6
301.07056	26.7
301.16260	4.6
301.21613	52.6
301.29102	7.0
302.07205	3.4
302.21851	2.2
315.77469	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33588	0.3
52.54558	0.3
52.57022	0.3
53.03949	1.0
55.01867	0.4
55.05234	0.7
55.05507	13.3
56.70895	0.3
57.03434	1.8
57.07072	3.6
57.55074	0.4
58.70390	0.3
59.04989	1.7
65.03939	1.0
67.05502	18.5
69.03428	6.2
69.07063	6.2
69.54910	1.8
71.04987	9.1
71.08635	0.4
79.05484	6.4
81.03410	1.1
81.07050	100.0
82.07381	1.4
83.08614	2.3
85.02898	1.4
85.06538	5.3
89.06015	2.5
91.05467	2.2
93.07038	10.8
94.07933	0.3
95.04961	5.1
95.08601	20.1
97.02883	13.6
97.03530	0.5
97.06526	1.0
97.10159	9.4
99.04459	1.0
99.08084	2.6
105.07037	3.3
107.04968	0.3
107.08584	4.5
109.06515	3.9
109.10139	2.2
111.04469	0.3
111.08067	3.1
113.05973	0.8
113.09670	1.8
115.03915	1.2
116.04647	0.3
117.07081	0.5
119.08559	0.8
121.06564	0.4
121.10126	2.7
123.08053	1.4
123.11696	75.3
124.12003	1.3
125.09618	0.7
125.13223	0.4
127.07511	0.5
131.08537	0.6
133.10115	3.9
137.09691	0.4
139.11140	0.8
141.12753	2.8
144.67680	0.4
149.09610	0.9
150.10283	0.4
151.11168	13.0
153.05467	0.6
153.07008	0.4
157.10141	0.4
169.04955	1.0
169.12228	31.9
170.12593	0.6
171.27492	0.3
173.13232	0.5
175.11192	0.4
187.13283	18.0
188.13652	0.5
219.13770	0.9
258.05188	1.0
273.69818	0.3
283.15533	0.7
286.04678	0.7
288.51157	0.3
301.07251	1.6
301.10901	0.8
301.16461	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	301.107
Annotation	4,8-Dihydroxy-2,3,7trimethoxyphenanthrene
Peak:m/z	Relative Intensity
55.05499	2.1
57.03431	1.6
60.97779	0.7
66.67802	0.7
67.05495	2.7
69.03422	0.9
69.07069	1.9
69.86729	4.0
71.04958	1.6
72.01482	0.7
75.09963	0.6
79.05483	1.9
81.03407	0.7
81.07044	4.3
91.05476	11.6
93.07025	2.2
95.04956	2.5
95.08611	2.1
97.02888	0.7
97.06525	1.2
105.06998	1.7
107.04943	2.8
107.08593	2.2
109.10141	1.6
111.04461	0.7
115.05467	1.0
117.07022	0.9
119.04929	5.1
119.08601	1.1
120.05733	1.5
121.06540	1.5
121.10140	1.4
123.04473	1.1
123.08122	0.8
123.11688	1.6
124.05207	0.8
128.06233	0.9
129.05412	0.8
129.06972	1.3
131.08603	1.1
133.02888	1.0
133.10132	1.5
135.04417	1.1
137.05994	3.8
141.06985	3.5
143.08580	0.8
145.06444	0.9
145.10101	1.0
147.04495	0.9
149.05991	4.0
152.06204	9.0
153.01811	1.6
153.06984	17.4
154.07710	1.0
155.04945	0.8
155.08568	2.4
157.06487	1.8
165.06976	11.8
166.07741	1.2
167.07155	1.2
167.08548	3.3
168.05690	5.1
169.06476	6.7
170.07298	6.1
171.08026	1.3
176.06285	1.2
177.07034	1.6
180.05687	3.0
181.06471	24.4
182.07262	4.0
183.04411	3.6
183.08034	4.5
185.05998	1.0
185.09575	1.8
187.07576	4.5
193.06496	1.9
194.07254	1.4
195.08073	6.7
196.05168	3.0
197.05963	9.2
198.06735	13.9
198.14931	1.2
199.07547	2.7
200.04640	1.0
208.05186	4.3
209.05931	5.0
210.06734	2.7
211.03864	1.6
211.07529	5.3
212.04785	1.0
212.08156	1.8
213.05519	1.7
213.09090	10.7
215.07050	3.3
221.05878	1.2
223.07518	4.2
225.05380	3.6
225.09029	1.0
226.06200	12.9
227.03316	0.8
227.06895	3.8
227.11713	1.2
229.04964	2.0
236.04842	0.6
237.05460	0.8
239.07033	2.0
240.07692	2.4
241.08548	17.5
242.09216	2.2
243.06407	3.3
251.07056	3.7
253.05072	0.9
255.06543	1.3
255.11287	5.5
257.04373	1.2
258.05225	50.3
258.08685	2.3
259.05630	1.7
268.07257	0.8
269.08087	6.1
270.08871	1.0
271.06036	1.1
272.10410	2.6
273.11194	1.4
283.09891	1.0
283.20346	0.9
286.04727	61.3
286.07974	3.0
287.05048	2.1
301.07050	100.0
301.10703	80.5
301.21637	3.0
301.24576	0.9
301.48398	0.7
302.07397	4.3
302.11212	3.0
323.89282	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0701
Annotation	alnusin
Peak:m/z	Relative Intensity
53.03946	1.5
53.31644	0.7
55.05509	12.3
57.03442	1.3
57.07075	3.7
59.04990	1.4
65.03963	1.0
67.05505	18.7
69.03430	6.8
69.07066	6.1
69.82863	0.6
70.80302	1.9
71.04992	8.2
79.05487	6.1
81.03421	0.7
81.07054	100.0
83.08623	2.3
85.02898	1.9
85.06547	7.7
89.06020	2.2
90.02382	0.6
91.05496	1.6
93.07038	8.9
93.89859	0.6
95.04968	6.2
95.08608	18.1
97.02890	13.5
97.10165	9.6
99.04459	1.0
99.08080	2.1
105.07020	4.5
107.08598	5.2
109.06502	4.2
109.10157	2.9
111.08082	3.1
113.06053	1.0
113.09640	1.7
115.03955	1.6
121.10125	2.0
123.08012	1.0
123.11704	70.6
131.08537	0.9
133.10138	3.7
139.11115	0.9
141.12727	2.2
147.87274	0.6
151.07619	0.8
151.11185	11.9
153.01820	1.3
162.67873	0.6
169.04956	1.1
169.12233	29.0
181.06421	0.9
187.13298	16.1
229.04988	1.4
258.05240	27.8
259.05658	1.2
286.04715	40.4
287.05118	1.4
301.07071	62.9
301.16373	6.4
302.07419	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	301.0699
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
69.34106	0.9
69.34513	0.3
70.87571	0.1
71.27825	0.1
81.04211	0.1
92.29290	0.1
98.20901	0.3
119.31111	0.1
149.05914	0.3
153.01822	1.5
170.02267	0.1
173.81680	0.1
177.33101	0.1
186.46533	0.1
213.05441	0.2
223.44984	0.1
229.03317	0.1
229.04929	2.4
230.05452	0.3
257.04480	1.2
258.05222	46.0
259.05576	1.2
269.04385	0.2
271.92456	0.1
279.79761	0.1
286.04700	58.1
287.05035	1.7
301.07043	100.0
302.07382	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0703
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
61.70756	0.4
67.19087	0.4
69.24672	0.4
70.24265	1.3
137.88736	0.4
153.01781	1.8
156.80281	0.5
184.23996	0.4
229.04886	3.3
257.04404	1.2
258.05231	52.7
259.05566	1.7
286.04706	64.4
287.05093	2.4
301.07062	100.0
302.07437	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.4
54.35371	0.3
55.01853	0.3
55.05511	1.5
57.07058	0.4
58.56895	0.3
67.05502	1.7
69.03408	0.7
69.79719	1.9
71.04980	0.5
79.05483	0.8
81.07054	8.0
85.06535	0.8
91.05448	0.9
93.07026	1.1
95.04947	1.0
95.08609	2.1
97.02863	1.2
97.10119	0.8
98.21481	0.4
105.07014	0.7
107.04917	0.4
107.08566	0.4
107.39468	0.3
108.05167	0.3
109.02862	0.3
109.06516	0.4
109.10131	0.4
121.06485	0.3
121.10151	0.4
123.11694	6.9
131.04849	0.5
133.10039	0.4
137.05907	0.4
142.95302	0.3
145.10080	0.4
148.03929	0.5
149.05974	0.7
151.03918	0.6
151.07539	0.6
151.11139	1.1
153.01822	1.8
153.06975	0.6
154.59694	0.3
165.06935	0.5
166.04977	0.3
169.06483	0.3
169.12218	2.5
175.03798	0.3
181.06441	0.8
183.04202	0.3
187.13350	1.4
197.05975	0.6
198.06880	0.6
212.04787	0.3
226.06215	0.5
227.07005	0.4
229.04976	2.4
241.08618	0.7
255.06693	0.3
257.04498	0.6
258.05234	41.6
259.05627	1.7
286.04709	60.1
287.05035	2.5
301.07062	100.0
302.04138	0.2
302.07410	5.3
302.10837	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.07
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01863	0.1
68.64460	0.1
69.52264	0.7
76.52657	0.1
88.23426	0.1
91.05503	0.1
98.20806	0.2
119.04991	0.1
137.06049	0.1
141.36816	0.1
149.06018	0.2
151.03903	0.2
151.07463	0.1
153.01811	1.3
172.38313	0.1
184.44673	0.1
201.05467	0.2
202.67148	0.1
229.04941	1.9
230.05588	0.2
231.06607	0.1
239.55989	0.1
246.49817	0.1
257.04465	1.1
258.05249	35.0
259.05612	1.1
269.04398	0.1
286.04724	52.9
287.05069	1.9
301.07068	100.0
302.07404	4.2
322.63123	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	301.0699
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.6
55.05515	1.2
57.03418	0.5
67.01860	0.5
67.05488	0.8
68.99775	0.5
69.07057	0.3
69.25555	1.2
69.25996	1.1
79.05475	0.7
81.07048	0.5
82.06559	0.3
83.04963	0.6
83.08643	0.3
91.05451	0.8
93.06980	0.4
95.08578	0.3
98.21521	0.5
100.11251	0.6
103.05463	0.3
105.07021	0.4
107.08584	0.3
116.04685	0.5
119.04936	0.3
119.08566	0.2
121.06499	0.3
123.11661	0.3
129.05499	1.2
129.06969	0.4
130.03528	0.3
141.11446	0.3
149.05994	0.5
151.03946	0.6
152.06216	0.3
153.01828	3.0
153.07048	0.5
157.08572	0.5
169.06462	0.3
171.02853	0.7
175.03888	0.6
181.06390	0.4
182.15398	0.3
195.08052	0.2
198.06775	0.3
199.07555	0.2
201.05331	0.3
203.03401	0.4
205.16635	0.7
209.06042	0.3
210.14851	0.3
213.05420	0.4
213.08936	0.3
219.16371	0.8
225.05470	0.3
226.06120	0.2
227.07104	0.4
229.04875	2.1
241.08653	0.4
254.05492	0.3
255.06494	0.5
257.04498	0.9
258.05249	39.9
259.05521	1.3
286.04724	51.1
287.04996	1.9
301.07074	100.0
302.07367	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	299.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00307	14.6
55.01865	7.1
55.05265	6.8
55.05513	57.3
57.03434	30.7
57.07062	13.7
58.06599	8.9
59.04996	10.2
63.47123	5.7
67.05521	35.4
69.03424	7.3
69.07040	14.9
71.01356	6.3
71.08608	5.9
79.05473	24.0
81.03400	10.3
81.07059	60.9
82.07401	6.5
83.04977	7.7
83.08624	29.0
85.06508	6.7
91.05480	63.0
93.07049	49.9
95.04954	13.8
95.08611	17.1
97.02879	15.5
97.10168	13.0
99.00823	69.5
99.01406	9.1
105.07044	58.9
107.04964	28.4
107.08589	26.3
109.02884	24.7
109.06493	7.3
109.10165	26.6
111.04423	9.7
111.08036	7.4
115.03918	7.7
117.07011	10.3
119.08584	41.5
121.06502	22.8
123.11716	12.7
127.03929	11.6
133.10141	100.0
135.08041	5.9
137.09613	10.3
143.08553	12.8
147.04329	6.3
147.08086	6.2
151.11153	37.7
159.11734	7.6
161.09628	64.4
171.08026	11.3
179.10669	37.6
186.85716	5.3
189.09167	34.9
191.38657	6.5
197.11687	12.2
207.10165	6.7
225.11278	45.6
229.15231	6.7
243.12366	9.8
299.14871	80.6
299.20078	16.0
300.15619	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	299.2004
Annotation	3-Hydroxy-19-norpregna-1,3,5(10)-trien-20-one
Peak:m/z	Relative Intensity
52.46625	0.9
54.09895	0.9
55.05494	3.2
56.70825	0.9
57.07050	2.1
58.06588	1.2
65.03912	1.1
67.05503	6.2
69.03412	3.7
69.07069	3.2
71.04993	0.9
71.51543	1.2
71.51920	1.0
79.05484	5.9
81.03401	3.9
81.07045	5.9
83.04981	2.4
83.08604	3.1
85.06518	1.0
91.04910	1.4
91.05476	27.4
93.07050	7.2
95.04966	2.0
95.08620	5.6
97.06521	1.7
103.05499	1.1
105.07027	16.4
107.04937	1.4
107.08604	6.8
109.02855	2.5
109.06509	2.3
109.10159	5.2
111.04411	1.4
115.05426	3.1
116.06229	6.6
117.07005	2.2
119.04942	7.7
119.08572	16.8
121.06483	2.2
121.10146	7.2
122.11172	0.9
123.08070	3.0
123.11771	1.0
125.09624	2.6
128.06232	1.3
129.07019	6.7
131.08563	47.0
131.97632	1.3
133.06387	1.1
133.10109	4.5
135.08005	2.5
136.61447	0.9
141.06958	1.3
142.07741	1.7
143.08525	4.9
145.06427	1.4
145.10115	3.9
147.04379	1.2
147.08009	1.1
149.09586	4.1
151.11137	1.0
155.08525	1.7
156.09326	2.3
157.10069	5.8
159.08047	100.0
159.11699	2.9
160.08377	1.3
161.09587	1.0
161.13182	2.0
163.03864	1.7
163.11151	1.4
167.08501	0.9
169.10091	2.5
171.11652	6.6
173.09633	1.4
173.11671	1.3
175.03999	1.0
175.07491	1.0
175.11183	1.8
179.08577	1.3
180.09474	1.0
183.11691	2.5
185.09570	1.8
189.12700	3.6
192.09454	1.0
193.10146	1.1
195.08128	1.2
195.11610	1.2
197.09561	1.8
197.13170	4.5
199.11124	4.8
201.12787	2.1
203.06970	1.6
206.10957	1.2
207.11711	1.7
209.13188	1.3
210.10410	1.4
211.10979	1.1
213.12772	1.9
215.14259	1.8
221.13208	2.6
225.12749	4.2
239.14261	1.7
239.17833	1.1
243.13838	1.8
253.19572	1.5
257.18900	2.3
263.17957	3.2
273.07755	3.9
281.16022	1.9
281.18973	22.0
285.07520	1.4
296.09650	1.1
299.05646	2.9
299.09131	3.1
299.12207	4.8
299.20016	38.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1125
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53504	1.5
50.67841	1.7
53.03941	4.6
55.01855	11.7
64.68032	1.7
65.03924	2.8
67.05495	9.8
69.03427	6.4
69.07074	3.1
70.06582	2.2
71.01350	1.8
71.04974	3.0
71.51242	3.0
79.05490	23.5
81.03400	13.0
81.07059	8.8
83.01331	2.2
83.04969	4.4
85.02904	3.1
87.04473	13.5
91.05482	51.6
93.07030	9.5
94.04179	2.3
95.04964	52.9
95.08616	7.6
97.02875	7.3
103.05488	11.3
105.03412	5.0
105.04562	2.1
105.07031	29.9
107.04948	18.3
107.08617	4.4
109.02897	4.9
109.06546	9.7
109.10177	2.1
111.04443	2.2
115.05464	8.4
117.07011	9.2
119.04943	21.9
119.08588	16.4
121.06476	17.3
122.03664	9.4
123.04425	35.3
123.08080	5.1
125.02355	22.5
125.05999	4.0
127.03900	2.7
128.06171	12.2
129.07004	45.9
131.04933	7.8
131.08568	7.6
132.05699	3.5
133.02856	17.7
133.06496	19.3
135.04431	17.3
135.08017	2.3
136.05208	3.9
137.02370	4.1
137.05971	100.0
139.03886	5.9
141.07019	3.3
145.06490	7.6
147.04399	4.9
147.08044	33.8
149.05998	30.7
150.06755	4.7
151.02762	3.5
151.03911	47.1
151.07542	77.6
152.23875	2.0
153.05461	5.9
153.06804	1.6
155.05893	1.9
157.06503	24.3
159.04396	9.9
159.08020	3.6
160.05103	3.9
161.02312	4.9
161.05931	12.8
163.03911	3.8
163.07550	2.5
165.05496	20.7
165.06931	4.7
167.07024	13.5
169.04999	11.1
169.06384	2.5
173.06059	3.5
175.07542	91.2
177.05458	12.1
178.07803	6.8
179.03358	3.1
179.07037	4.9
179.08536	3.3
182.07167	2.0
183.06557	4.3
183.08125	2.4
185.05968	8.0
189.09137	7.3
190.35660	2.0
193.08597	7.1
193.10112	4.2
195.06477	5.1
195.08147	2.4
197.04407	6.3
197.06049	2.9
203.06944	15.1
207.08102	2.0
209.06110	2.5
210.06798	5.7
211.07585	2.9
213.05406	2.4
220.65717	1.9
221.07869	20.1
221.09711	5.6
223.07730	3.2
225.05492	2.3
225.09146	2.4
229.06984	9.1
231.06564	3.9
235.58524	1.8
238.06215	2.9
239.06958	3.8
239.09039	31.9
241.08653	2.3
249.07661	7.3
253.08624	7.5
253.12311	6.2
258.08823	4.1
263.09134	3.8
267.06332	2.2
267.08749	8.9
267.10559	2.1
281.11853	6.5
299.05829	4.3
299.09396	7.1
299.12805	70.8
299.20108	3.4
306.90985	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	298.9771
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66509	0.6
55.01856	0.8
55.05504	0.8
56.96564	4.6
60.04512	0.9
61.02912	1.4
62.54440	0.6
63.93661	0.6
69.03423	1.0
69.07064	0.9
71.50695	1.1
73.02905	1.2
83.04973	1.5
85.02901	1.4
97.02892	1.5
98.97603	5.4
98.98463	1.2
101.00890	1.7
101.02412	0.9
103.02422	1.5
111.04415	0.9
116.98613	4.5
118.03463	0.7
119.01916	11.9
120.02016	2.1
121.01588	0.9
121.03484	1.3
131.01823	1.4
133.03467	0.8
134.99683	3.9
136.46324	0.5
137.02988	5.4
138.03088	1.1
142.03506	1.4
143.05556	0.8
145.03441	4.8
146.99687	0.7
147.05038	2.2
148.39262	0.7
153.00700	0.7
154.01028	0.6
154.94229	1.7
155.07036	4.1
156.97507	1.0
157.03462	1.1
157.07118	1.4
158.03661	0.8
158.99928	1.0
159.05048	1.3
161.03030	0.9
161.06602	1.9
163.04526	3.2
165.06081	1.4
165.97711	0.8
169.07104	1.0
171.05055	1.3
172.95294	3.2
173.06602	1.1
174.98582	1.4
175.08133	3.6
177.00941	17.2
178.01074	2.6
179.00673	11.5
182.99878	1.7
185.06642	2.2
186.03061	1.0
186.98262	2.6
187.08168	3.5
187.48163	1.6
187.98010	2.5
189.06068	4.3
190.96243	1.9
191.00664	0.7
194.02272	0.7
194.96986	0.8
195.98259	1.1
196.95346	1.5
198.98392	1.5
201.00902	3.9
201.09723	1.0
203.02444	1.4
203.07578	0.9
204.04199	2.9
205.95978	2.0
205.99097	0.9
206.99904	1.8
207.49977	0.9
207.98463	1.5
208.48946	0.9
208.98691	1.0
211.04491	1.6
213.06120	2.3
213.09769	0.8
214.96497	22.0
215.96913	1.1
216.47273	0.8
216.95320	0.7
217.02403	1.9
217.94612	1.5
217.98883	0.9
219.02007	100.0
219.98779	2.0
220.02086	6.0
220.48734	1.5
220.97531	1.5
221.01828	3.1
221.97704	1.2
223.96646	0.7
228.99008	3.0
229.49164	2.0
229.98633	1.3
230.97881	0.9
231.07094	1.3
232.97055	2.1
233.01872	2.3
235.97073	1.0
237.98042	1.0
238.96355	2.6
241.98109	1.3
242.03581	4.3
242.47853	1.2
242.97864	1.2
244.47816	0.9
244.92606	1.0
244.97630	1.1
247.03351	5.4
253.92995	1.4
255.07028	1.4
255.10760	1.5
255.98087	2.9
256.48001	2.1
256.97607	44.2
257.08752	2.2
257.97791	2.8
259.96655	1.1
260.96671	1.0
263.02859	1.3
264.97964	2.6
265.48267	1.1
265.97998	1.3
272.94833	1.4
273.01236	1.5
273.96594	0.8
274.00360	0.9
274.94846	1.6
274.97714	2.2
276.92145	3.5
279.99133	2.0
280.97260	2.5
283.02911	1.3
283.95862	0.9
284.96933	1.3
286.95450	0.9
289.00848	2.8
290.95676	1.1
291.02432	1.8
292.95114	1.6
294.93051	4.8
295.95737	1.9
296.45508	1.6
296.95709	2.5
298.98163	49.7
299.06415	1.3
299.09738	30.3
299.98199	2.6
304.96143	2.7
305.46164	2.6
305.96820	0.8
307.46429	0.8
312.93344	1.1
314.95782	2.0
316.95700	1.0
317.00217	3.8
317.10797	2.5
317.94736	1.1
321.99997	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	298.2739
Annotation	(+)-Lepadin D
Peak:m/z	Relative Intensity
52.88669	1.8
53.03925	1.5
55.05508	14.0
56.05017	6.8
57.07065	3.3
58.02951	2.9
58.06594	3.0
60.04506	5.2
67.05502	20.7
68.05009	2.6
68.49032	1.8
69.07064	13.5
71.08613	2.5
71.50999	1.4
71.51454	1.6
79.05481	14.1
80.05011	2.1
81.07058	18.2
82.06573	8.8
83.04967	2.0
83.08625	8.1
86.06041	3.7
88.90864	1.7
91.05460	13.0
93.07047	12.2
94.06577	2.6
95.07289	1.7
95.08595	13.9
96.08092	1.5
96.96314	1.5
97.10165	5.2
98.06010	2.4
100.07603	3.5
105.07016	5.4
107.08559	4.7
108.08105	1.8
109.10148	9.4
112.07635	3.0
119.08580	4.5
121.10124	4.7
122.09642	1.7
133.10129	2.8
136.06177	3.3
161.13303	1.8
169.43803	1.7
187.14893	1.6
192.68250	1.6
241.52805	1.5
245.22858	1.5
250.25299	7.3
262.25415	4.6
280.26334	100.0
288.61429	1.5
298.14383	3.3
298.27542	3.8
298.31091	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	298.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72689	0.5
57.29141	0.5
57.64611	0.5
67.28510	0.5
68.75536	0.4
70.97185	1.5
71.04962	0.8
71.56667	0.5
75.98988	0.4
79.05463	1.8
82.51286	0.4
84.22806	0.5
91.05460	1.4
93.07035	0.8
93.90665	0.5
103.05453	1.7
107.04947	0.8
107.07321	0.5
117.05767	1.3
118.06538	0.8
120.08090	0.9
130.06529	7.6
131.04898	1.1
131.07346	2.4
132.04453	0.5
132.08087	1.3
134.06001	1.2
136.06180	1.2
136.07574	0.9
139.07610	0.6
146.06030	2.4
148.07544	2.3
158.05984	2.6
160.07573	1.1
166.08546	0.7
176.07080	5.1
178.04997	0.7
178.08632	3.9
186.05482	1.5
190.08627	1.7
191.09384	0.6
194.08078	0.7
196.09731	3.0
204.06567	11.1
204.10141	2.7
218.08125	12.2
218.11717	1.7
222.07628	3.7
224.05350	0.7
236.09177	76.5
236.12560	4.1
237.09509	1.5
238.07114	0.6
239.07776	0.9
248.09161	0.7
250.42487	0.5
254.10237	89.2
255.10529	1.8
266.10245	2.6
268.11737	1.2
280.11832	1.4
298.12857	100.0
299.13260	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	298.0967
Annotation	5'-Deoxy-5'-(methylthio)adenosine
Peak:m/z	Relative Intensity
51.17422	0.2
61.00848	0.4
61.01149	5.0
69.03425	0.5
69.78780	1.4
75.02706	2.3
94.04082	0.4
97.02891	1.3
103.02201	0.3
119.03543	0.8
136.06177	100.0
137.04533	0.4
137.06633	1.1
145.03166	1.5
163.04224	1.6
191.10472	0.2
203.87323	0.3
298.09689	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	298.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98006	0.4
56.78565	0.5
60.48398	0.4
63.84034	0.6
65.01723	0.4
70.97124	1.0
79.05505	0.6
81.58022	0.5
91.05478	1.4
103.05418	0.7
117.05737	1.6
118.06529	1.5
126.05515	0.5
130.06537	4.6
131.04893	0.7
131.07295	1.7
132.08127	0.8
134.09766	0.6
134.91899	0.5
136.06206	0.5
143.07256	0.9
144.08057	3.2
146.06029	5.4
148.07440	1.0
158.05968	2.2
160.07587	1.4
162.09099	0.7
163.07686	0.4
168.98590	0.5
172.07555	9.0
172.08905	0.8
176.07025	2.4
178.08643	6.0
183.15129	0.6
186.05449	1.5
190.08604	1.3
191.09315	0.6
204.06570	3.7
204.10188	27.5
205.10568	1.1
206.08069	0.7
207.64441	0.5
208.09686	0.7
210.11185	0.6
216.06580	0.7
218.08109	15.1
220.09758	0.6
234.07639	2.0
236.09160	20.5
236.12737	6.3
248.09183	3.5
250.07016	0.6
250.07953	0.5
250.10704	6.5
251.07747	0.9
266.10220	27.1
267.10788	1.4
268.08612	0.6
268.11771	11.7
298.12836	100.0
299.13028	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	298.0741
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64750	0.3
56.05350	0.3
57.98798	0.4
58.99296	0.6
58.99581	8.3
67.05499	1.5
68.05022	0.8
69.03416	1.1
71.05030	0.7
71.05450	0.5
75.02705	0.4
76.02215	0.6
76.27095	0.3
78.03419	0.7
79.05482	2.0
80.05019	1.4
81.03411	0.4
85.01118	6.4
86.00645	48.9
86.99058	3.3
88.02216	1.1
88.03978	0.4
91.05463	1.1
95.04961	10.4
96.04478	7.5
96.05113	0.4
97.02881	6.9
98.00629	0.6
100.02187	2.6
102.03761	6.0
103.05449	0.5
105.00079	2.4
105.07021	0.4
106.06544	3.9
107.04935	3.1
108.04466	1.2
109.02866	0.7
109.06473	0.5
111.02630	0.4
112.02187	0.5
118.06517	0.5
119.04952	0.5
120.04444	0.6
121.06479	1.2
122.02378	1.5
122.06046	0.8
123.04414	3.0
124.03942	100.0
125.04288	0.7
125.05939	0.5
126.05508	1.2
131.01593	0.9
132.01138	13.7
133.06429	0.4
134.05945	0.4
135.02647	0.9
135.04401	5.3
136.06157	0.4
138.03693	0.6
140.03415	4.2
144.08003	0.4
146.02649	0.7
146.06009	0.3
147.04373	0.7
148.07538	1.5
149.05981	0.9
150.05455	1.7
151.03888	10.4
152.01563	0.4
153.03593	0.4
153.05466	1.7
154.03215	2.9
154.06795	0.6
159.04414	0.4
163.02155	0.3
164.01596	1.5
164.05319	1.5
164.07207	0.3
165.00018	0.5
166.03203	1.2
176.07025	1.6
177.05470	0.6
180.04657	0.3
181.03221	2.3
182.02690	39.6
182.06136	0.8
183.03123	0.6
184.04247	4.6
188.05319	0.6
190.08559	0.4
200.03720	0.5
206.06357	2.1
208.04282	1.7
208.07817	0.6
210.02211	1.6
210.05792	3.3
216.04680	0.4
220.09702	0.8
224.07375	5.9
228.03232	44.2
229.03479	0.4
230.04810	1.3
234.05785	3.4
238.09836	0.4
252.06876	72.4
253.07187	1.6
280.06345	3.4
298.07410	47.1
298.12881	1.2
299.07690	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2422
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
53.03936	2.9
55.01867	10.1
55.05510	72.7
57.03429	7.6
57.07087	13.2
62.12321	2.2
62.79514	2.4
67.05135	4.9
67.05502	91.9
69.03410	5.8
69.07068	62.5
69.83187	4.6
69.83603	8.3
71.01321	2.6
71.04990	8.5
71.08630	13.4
79.05490	39.9
81.07050	100.0
82.95494	2.3
83.04978	10.3
83.08617	39.2
85.06538	9.1
91.05462	10.8
93.07040	46.6
95.04988	3.6
95.07993	3.6
95.08601	68.5
97.06532	15.1
97.10164	54.9
97.87839	2.2
98.20769	4.3
99.08104	7.9
105.03416	2.4
105.06999	13.0
107.08589	38.3
109.10152	46.2
111.08071	5.0
111.11724	4.6
117.07014	5.4
119.08595	9.6
121.06455	3.5
121.10119	15.2
121.65845	2.3
123.08041	3.6
123.11706	18.1
125.09621	32.8
127.07475	2.8
127.11234	3.1
127.75215	2.1
127.83859	2.1
131.08557	8.8
133.10127	7.8
135.08040	7.5
135.11678	30.0
136.99573	2.2
137.09630	3.8
137.13245	10.1
145.10132	8.9
147.11662	7.2
149.13235	9.4
151.14812	6.2
153.09102	4.4
153.12756	13.3
159.11671	5.6
161.13277	6.2
163.11017	2.7
163.14783	4.4
169.15881	3.9
173.11728	6.2
173.13245	8.7
175.14853	4.2
177.16447	3.4
179.14305	4.0
183.13824	21.1
187.14786	5.9
189.11203	20.1
223.16899	2.7
233.22711	4.6
243.21169	13.9
251.23724	4.8
261.22153	32.5
279.20920	2.7
279.23190	72.4
280.23416	4.3
297.18488	3.4
297.24225	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	297.2422
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
55.01630	5.7
55.01871	64.5
55.05510	57.6
57.07082	21.2
61.70935	3.6
62.45189	3.8
67.05503	71.7
69.07066	100.0
71.04977	9.2
71.08613	9.3
79.05489	39.3
81.06594	5.7
81.07051	72.7
83.04987	20.0
83.08619	48.5
85.06528	8.6
85.10172	6.8
91.05469	16.1
93.07044	57.3
95.08601	61.9
97.06522	20.2
97.10171	24.9
105.03400	4.6
105.06976	6.0
107.04974	6.4
107.08587	46.7
109.06554	5.0
109.10143	44.1
110.84312	3.9
111.08087	9.9
117.06995	6.2
119.08575	11.4
121.06506	5.5
121.10136	33.9
123.11699	24.5
125.09592	5.9
131.08548	10.0
133.10089	9.1
135.08008	7.1
135.11673	43.1
137.09616	4.1
137.13187	11.5
145.10146	6.7
147.11696	7.9
149.09584	5.9
149.13269	11.2
151.14839	8.7
153.12733	73.4
153.91792	4.4
159.11563	4.2
161.13174	4.8
163.11139	5.1
163.14763	6.6
167.10568	4.4
169.15782	4.6
173.11713	4.6
173.13293	8.3
179.60585	4.0
183.13818	22.2
188.36513	4.3
195.13675	4.6
199.82701	3.9
211.12198	4.2
211.14456	5.3
219.21019	4.9
233.22621	18.3
243.21075	13.4
251.23671	14.2
260.16006	4.7
261.22104	23.3
266.12955	5.5
279.23163	65.1
297.22144	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	297.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43353	4.7
53.03936	8.8
54.05660	4.8
55.01873	71.0
55.05507	40.4
57.03433	76.4
57.07060	8.4
58.06595	4.7
67.05502	55.1
69.03443	5.6
69.07059	19.4
71.01350	5.2
71.04966	13.6
71.50346	8.5
79.05488	57.7
81.03410	14.9
81.07049	63.4
83.04963	31.8
83.08620	38.4
85.02883	6.6
85.06529	7.5
91.05460	58.2
93.07052	46.8
95.04972	89.3
95.08601	24.4
97.02873	8.5
97.06521	11.9
99.87082	5.0
105.03374	7.3
105.07026	23.8
107.04951	100.0
107.08555	24.5
108.05745	13.3
109.06496	44.2
109.10171	11.5
111.08080	5.9
112.05240	34.8
113.06008	14.7
114.34363	4.9
117.07014	40.4
119.08571	12.3
121.06467	15.4
121.10146	15.3
123.04424	16.0
123.08045	11.4
124.13263	5.1
125.06006	9.3
128.06163	7.1
129.07001	5.1
130.07697	5.7
131.08556	48.3
133.06511	8.3
133.10136	24.4
135.08040	34.7
141.06949	26.4
143.08575	21.3
145.06493	26.9
145.10110	42.3
146.07230	8.1
147.08049	8.3
149.09615	52.6
150.10435	7.5
157.10107	10.4
159.08046	11.9
159.11688	66.6
161.09612	63.6
163.11148	12.7
165.09120	8.3
169.10121	25.1
173.09607	6.0
177.09193	6.6
177.12741	33.2
185.09753	5.5
187.11143	66.1
205.12234	70.9
208.10916	4.9
209.61978	5.7
217.15826	8.4
223.13283	81.4
237.09254	7.4
245.15501	6.7
251.10355	5.1
263.16278	5.9
265.08679	6.7
267.60327	5.6
279.23059	5.7
283.02560	5.3
297.07541	18.2
297.11172	21.9
297.14734	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	297.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	14.4
55.01859	10.8
55.05489	2.9
57.03423	4.5
65.03929	8.0
67.05507	14.0
67.05797	2.8
68.99780	4.2
69.03409	7.1
69.69485	15.5
70.06606	4.7
71.01357	2.9
72.46158	2.7
73.37018	2.6
77.03909	3.3
79.05494	27.6
81.03407	5.5
81.07032	6.4
84.08141	3.3
85.02900	5.0
87.04472	3.4
91.05475	36.4
93.03410	4.4
93.07040	36.3
95.04970	100.0
95.08614	4.2
97.02882	11.4
103.03943	3.7
103.05469	15.9
105.03380	5.0
105.07024	21.4
107.04951	37.8
107.08578	7.4
109.06519	21.8
111.04453	5.0
111.09614	2.9
115.03897	2.9
115.05432	12.4
117.07016	32.9
119.04944	3.6
119.08582	7.5
121.02867	21.8
121.06508	49.8
123.04421	34.9
125.01497	3.5
125.02360	44.3
126.22772	2.9
128.06207	6.3
129.06992	11.3
131.04950	16.8
133.02814	3.4
133.06500	6.8
135.04391	11.3
135.08043	7.1
136.06207	4.6
137.05971	13.3
139.03905	17.2
145.06476	35.4
147.04437	7.6
147.07991	6.9
147.11604	4.1
149.02336	38.2
149.05980	35.4
151.03914	40.3
153.05362	2.8
157.06451	5.0
159.04384	11.2
163.03923	3.1
163.07536	20.2
165.04175	5.4
165.05492	54.5
165.06908	5.7
167.03391	11.6
167.07028	23.9
168.06548	4.2
169.06880	5.1
173.05991	30.9
175.03876	3.3
175.07599	6.7
177.05431	12.6
178.40201	2.6
178.85638	2.9
191.07005	19.6
193.04939	3.5
195.02939	6.5
195.06569	6.3
195.08159	5.5
198.79134	2.7
199.05975	5.8
201.05449	15.8
204.59993	2.8
205.08556	5.1
209.08099	10.5
213.03992	4.6
219.06441	13.1
221.05980	3.7
227.05495	29.7
237.07321	4.5
237.09384	4.1
247.06017	11.9
251.07039	4.2
265.06577	5.3
265.08865	9.4
268.07315	3.3
279.08511	9.7
283.02899	3.4
297.11279	26.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42445	0.4
52.23514	0.4
55.05494	1.8
57.03423	1.3
59.04998	4.7
64.64691	0.4
65.03945	0.5
69.30793	0.9
69.31214	3.3
73.06541	0.6
85.69507	0.4
91.05455	1.4
94.43577	0.4
102.56885	0.4
104.79700	0.5
105.07699	0.4
116.02297	0.4
116.76678	0.5
117.05730	0.7
118.06541	4.2
136.07541	1.3
146.06012	18.5
148.58292	0.4
164.07060	7.8
178.08629	36.7
179.08958	0.6
196.09685	44.8
278.14041	2.0
296.14917	100.0
297.15262	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0967
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79213	1.7
53.03945	3.0
54.34110	1.4
55.01863	3.5
57.03429	1.7
58.54306	1.6
67.05495	5.8
69.03423	2.6
69.08888	1.7
69.93473	9.4
71.01355	3.6
71.04983	2.7
78.75877	2.0
79.05483	11.9
81.03424	2.1
81.07051	3.0
84.08163	2.0
85.02903	4.3
91.05457	14.5
93.07039	8.8
95.04966	20.9
97.02887	5.5
98.20927	2.1
103.05472	9.3
104.05215	1.5
105.03398	8.3
105.07027	6.9
107.04942	7.3
107.08575	2.8
115.05458	5.8
117.07040	12.3
119.04940	7.5
119.08556	5.2
121.02867	3.3
121.06522	17.1
123.04431	14.9
125.02345	10.3
127.03953	2.0
128.06265	2.7
129.06978	3.1
131.04924	10.0
133.02844	7.3
133.06454	2.7
135.04449	3.5
135.08070	2.9
137.05972	10.6
138.27657	2.2
139.03932	3.1
145.06483	18.2
147.04446	12.0
147.08015	4.3
149.02357	6.4
149.05989	19.2
149.09622	2.1
151.03915	9.2
151.07480	2.5
155.04889	3.2
159.04404	2.4
161.05980	4.2
163.03978	3.7
163.07547	7.2
165.05484	20.4
165.07008	12.3
166.07732	8.5
167.03407	2.8
167.07024	4.0
167.08481	2.0
173.05988	16.3
175.07568	6.5
177.05624	2.5
177.07079	5.2
178.07816	5.1
179.07082	1.8
179.08514	3.3
181.06496	2.9
183.04518	2.1
183.08105	3.0
187.07521	2.9
190.07732	3.0
191.07040	17.3
191.08476	3.2
193.06488	4.0
193.08456	2.7
194.07272	25.3
195.07947	2.8
201.05473	16.0
205.06514	11.4
206.07227	2.6
207.07976	2.5
209.07994	3.3
209.09735	3.9
211.07555	7.1
219.06360	12.7
219.07655	2.6
219.08281	4.0
221.05974	4.8
222.06766	19.4
223.07526	2.8
224.04672	2.1
226.06334	1.9
226.09795	2.0
229.04973	3.0
233.05930	4.5
233.08095	3.2
236.08383	2.0
237.09377	20.9
239.07072	5.8
247.06116	5.5
250.06186	7.9
251.06987	3.5
253.08662	2.5
254.09416	5.3
265.08734	60.2
266.09125	4.7
266.99878	2.9
269.08096	5.5
269.11615	1.7
279.08698	2.8
279.10712	1.9
282.08878	7.8
283.03165	2.3
297.11230	100.0
298.11420	3.5
299.06137	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2266
Annotation	8-(5-Hexyl-furan-2-yl)-octanoic acid
Peak:m/z	Relative Intensity
52.72232	3.8
53.03928	6.6
53.71072	3.3
55.01883	4.5
55.05505	28.0
57.03439	6.8
57.07082	25.6
67.05496	38.4
68.25574	3.2
69.07064	17.4
69.30493	9.3
69.30915	25.5
71.05003	5.8
71.08620	3.7
79.05499	28.7
81.03419	22.7
81.07053	34.9
83.04976	14.0
83.08620	15.1
85.10181	78.7
91.05455	26.5
93.07046	19.2
95.04964	23.5
95.08608	29.5
97.06538	7.8
97.10172	7.7
105.07017	19.7
107.04942	13.3
107.08591	9.8
109.06507	6.1
109.10143	7.2
111.08060	4.2
113.09645	100.0
119.08565	14.3
121.10122	11.1
123.08062	5.1
129.06996	3.6
133.10147	5.5
135.11694	4.6
145.10130	4.5
147.11649	16.0
149.09621	17.7
149.13321	4.3
151.11203	6.9
161.13319	7.1
163.11195	13.8
165.12761	74.9
167.14265	4.1
171.11705	5.6
175.11200	10.5
179.14305	4.3
181.12315	3.7
195.33145	3.2
207.13756	5.0
259.20602	8.5
272.78201	3.4
277.21631	71.7
295.22675	94.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2267
Annotation	Pseudopyronine B
Peak:m/z	Relative Intensity
55.05503	23.5
57.07069	15.4
67.05510	30.6
69.07062	12.3
77.17075	6.0
79.05475	22.5
81.03411	16.9
81.07050	30.6
83.04941	9.8
83.08647	8.0
85.10191	36.7
91.05444	13.9
93.07018	21.8
95.04948	16.5
95.08606	15.6
98.21021	7.3
105.07019	8.9
107.08550	14.1
107.31143	7.2
113.09656	42.6
119.08553	8.0
121.10136	8.4
147.11719	7.7
149.09683	7.5
151.11136	9.4
163.14761	7.6
165.12712	30.8
185.11095	5.9
277.21637	49.2
295.22726	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2266
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
55.05500	24.0
57.40292	5.2
66.44466	6.0
67.05505	61.1
69.07063	24.2
69.76012	12.3
69.76422	32.0
71.08635	51.5
79.05498	49.4
81.03416	9.6
81.07056	63.1
83.04980	16.2
83.08613	12.7
88.67438	5.2
91.05482	32.3
93.07044	65.9
95.04942	11.8
95.08621	32.4
97.06538	8.9
97.10185	9.7
98.20788	6.3
99.08089	24.4
105.07033	19.6
105.76272	5.9
107.08591	34.4
109.06565	7.1
109.10175	14.0
112.93906	6.3
117.07059	7.3
119.08567	13.7
121.10153	24.6
133.10152	15.6
135.11699	38.3
147.11656	8.1
149.13321	14.8
151.11186	20.3
153.12796	6.1
161.13290	11.5
179.14293	100.0
277.21637	52.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2266
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
53.03959	8.2
55.01871	10.7
55.05513	38.9
57.03423	5.9
57.07085	24.9
67.05501	50.3
69.07063	30.3
69.51044	28.1
71.08616	6.3
79.05488	38.6
79.56235	3.0
81.03413	22.3
81.07059	49.9
83.04990	19.5
83.08626	17.0
85.10185	43.5
91.05474	34.9
93.07037	37.9
95.04961	28.7
95.08595	37.4
96.22186	3.6
97.06528	11.4
97.10172	9.6
99.08111	7.7
105.07022	29.5
107.04948	13.4
107.08582	22.6
109.06535	6.3
109.10155	20.7
111.08059	13.5
113.09649	64.5
117.07067	5.0
119.08558	15.7
121.10147	13.4
123.08034	8.5
123.11661	6.8
125.09634	7.4
129.06967	3.9
131.08586	6.2
133.10165	16.2
135.11684	12.4
143.08549	5.9
144.84697	4.3
145.10173	5.3
147.11682	13.5
149.09616	11.9
149.13309	9.7
151.11160	14.1
161.13274	5.7
163.11166	5.2
165.12746	50.3
175.03894	8.8
175.11143	6.2
179.14307	8.6
257.32385	4.4
259.20529	8.9
277.21619	85.2
280.05722	6.3
295.07928	13.7
295.22684	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2265
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
53.03754	2.2
53.03943	21.3
55.01860	10.6
55.05503	30.1
56.94820	2.2
57.03419	2.9
57.07061	8.3
58.44528	2.7
65.03918	2.4
67.05499	69.1
69.06728	4.0
69.07063	40.6
69.39952	20.5
69.87733	2.3
71.04982	2.5
71.08633	3.5
79.05492	40.8
81.03411	67.9
81.07050	53.2
83.04977	17.5
83.08614	13.0
85.10150	6.2
87.03282	2.7
91.05463	25.4
93.07031	44.2
95.04961	46.6
95.08595	24.5
97.06516	8.8
97.10149	7.1
99.08071	5.7
105.07033	21.5
107.04915	3.5
107.08588	33.2
109.06512	5.8
109.10141	20.2
111.08070	2.8
113.09653	6.4
117.07027	4.0
119.08584	14.1
121.10145	11.6
123.08047	4.4
123.11689	7.3
125.09614	12.6
131.08568	4.3
133.10129	19.7
135.08054	5.6
135.11668	6.4
136.78154	2.6
137.09566	3.1
137.13208	2.3
143.08556	3.5
145.10095	3.4
147.08002	2.7
147.11664	16.6
148.71390	2.3
149.13254	9.3
151.11162	54.3
153.09084	3.5
157.10152	4.9
159.11661	2.7
161.13249	14.0
163.14809	5.0
165.12717	15.4
171.11662	6.2
173.13190	3.1
175.03876	2.4
175.14845	4.9
177.12796	3.8
179.14265	6.5
185.13295	3.0
193.12241	4.2
207.13774	6.4
217.19543	3.0
231.21053	10.8
241.19460	7.3
249.22092	7.3
259.20575	9.4
277.21600	100.0
295.22778	11.8
303.92258	2.3
310.27054	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	295.2266
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
53.03935	6.6
55.01862	5.7
55.05514	19.8
57.03428	3.9
57.07061	9.0
58.87951	1.9
65.03939	2.5
67.05504	43.8
69.03423	3.0
69.07072	21.3
70.42542	2.2
70.42891	7.3
71.04980	2.6
71.08620	4.6
79.05496	34.1
80.05841	1.9
81.03416	5.1
81.06600	4.1
81.07056	67.1
82.07385	4.8
82.67141	1.7
83.04977	12.6
83.08617	11.9
85.02852	2.1
85.06521	1.8
85.10180	2.3
86.09723	2.5
91.05477	27.8
93.07047	45.2
95.04971	21.7
95.08608	37.3
97.06528	17.5
97.10148	5.9
105.07032	33.5
107.04959	2.7
107.08597	25.2
109.06531	13.3
109.10157	18.6
111.08118	2.9
111.11640	2.4
117.06984	4.7
119.08590	32.8
121.06477	6.7
121.10140	14.8
123.08023	7.4
123.11704	7.9
125.09631	3.3
128.06158	2.4
129.07002	3.8
131.08560	13.5
133.10133	35.1
135.11670	11.8
137.09612	3.8
137.13232	3.5
141.07028	2.7
142.07803	3.3
143.08569	8.8
144.09416	3.0
145.10097	14.4
147.11674	8.7
149.09660	2.3
149.13268	5.2
151.11185	2.9
153.12740	14.3
155.08560	4.1
156.09322	5.5
157.10159	12.6
158.10904	4.6
159.11696	7.5
161.13263	6.9
163.11180	3.1
165.12753	6.4
169.10124	6.9
170.10785	2.5
171.11723	10.2
173.13293	22.5
175.03889	3.8
175.14853	6.8
179.14273	5.5
181.10074	2.7
183.11742	3.7
185.13255	6.3
187.14804	4.4
192.36967	2.0
195.11755	3.0
197.13199	5.1
199.14787	6.1
208.12495	2.2
209.13211	4.3
211.14853	4.6
221.13269	4.9
221.18060	3.2
223.14815	2.3
231.21072	4.7
235.14848	2.3
239.14510	2.3
249.22163	12.8
252.05824	2.3
259.20499	5.4
265.12143	3.8
277.21671	100.0
280.05386	3.6
295.08185	5.7
295.13098	2.5
295.20291	9.9
295.22635	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	295.2268
Annotation	13(S)-HOTrE
Peak:m/z	Relative Intensity
53.03939	7.6
54.32744	2.4
55.01632	3.8
55.01875	43.0
55.05513	61.2
57.03424	8.5
57.07061	12.7
59.04982	3.2
59.83173	3.2
65.03928	3.0
67.05506	85.3
69.03420	6.8
69.07076	34.9
71.04981	8.5
71.08623	18.9
71.21780	6.5
79.05499	55.8
81.03403	10.9
81.06596	5.0
81.07058	87.9
83.04979	19.1
83.08623	38.0
85.06509	7.1
85.10197	14.2
86.09668	3.4
91.05482	43.9
91.66446	3.1
93.07047	61.2
93.07632	4.1
95.04960	19.2
95.08609	59.9
97.06532	11.9
97.10167	13.4
99.08092	20.1
105.07035	30.6
107.04944	5.3
107.08595	37.4
109.06502	12.1
109.10147	20.0
111.07390	5.1
111.08085	65.8
113.09639	9.6
117.07018	7.3
119.08557	18.4
121.10152	28.4
123.08072	8.4
123.11733	7.3
125.00002	3.4
125.09642	16.1
128.25633	2.7
129.06987	6.1
131.08606	13.9
133.10123	31.7
135.08069	4.7
135.11668	20.2
137.09578	4.8
139.11166	8.8
143.08589	3.4
145.10135	5.3
147.11667	18.6
149.09575	10.1
149.13249	20.6
151.11176	21.7
151.78802	2.9
153.12756	4.5
157.10124	5.2
159.11717	8.4
161.13263	11.3
163.11186	6.4
165.12805	19.8
175.03844	2.8
175.11151	3.8
175.14848	5.6
177.12715	4.2
179.14307	10.6
184.07355	13.4
185.13242	4.8
189.11185	9.2
189.12708	3.4
195.13683	6.3
207.13782	3.7
221.15294	4.7
231.21054	5.9
241.19560	6.4
259.20581	16.2
277.21634	100.0
295.08099	6.7
295.22675	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	295.2267
Annotation	13(S)-HOTrE
Peak:m/z	Relative Intensity
55.01875	45.6
55.05511	62.5
57.03427	4.9
57.07074	11.3
65.03951	6.1
67.05507	89.3
69.07072	29.9
70.96238	10.9
70.96573	6.5
71.04984	9.0
71.08625	22.9
78.99518	5.1
79.05498	53.6
81.03415	15.4
81.07055	90.2
83.04975	20.3
83.08183	6.3
83.08609	39.1
85.06542	5.7
91.05484	44.8
93.07033	63.1
95.04981	27.9
95.08607	51.1
97.06521	17.2
97.10167	18.7
99.08096	17.5
105.07028	33.7
107.08598	38.9
109.06498	8.6
109.10176	18.7
111.08088	52.9
113.09612	7.7
119.08597	26.9
121.10117	25.0
123.08088	6.5
123.11715	4.8
125.09592	5.7
131.08565	6.6
133.10114	36.3
135.11694	19.0
139.11212	10.1
145.10075	6.5
147.11655	23.7
149.09573	6.0
149.13248	23.8
151.11200	21.9
153.12761	5.8
157.10184	6.3
161.13298	10.3
163.11205	6.6
165.12756	22.2
171.11568	6.3
177.12767	6.9
179.14294	8.4
189.11176	8.0
193.12286	7.1
195.13887	6.7
207.13853	6.6
241.19548	7.5
259.20633	10.9
277.21625	100.0
277.24414	8.8
295.22729	69.5
317.53793	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	295.2268
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03932	9.2
55.01877	45.2
55.05270	7.1
55.05510	57.7
57.03425	6.8
57.07067	11.7
58.96872	4.5
67.05505	85.0
69.03410	6.4
69.07067	40.1
70.64592	9.3
70.64925	9.5
71.04982	12.6
71.08635	40.5
79.05494	49.6
80.17485	4.1
81.03410	18.6
81.06598	5.7
81.07057	80.4
83.05002	30.0
83.08623	27.2
85.06544	7.1
85.10175	8.0
91.03001	4.0
91.05483	47.4
93.07049	57.3
95.04937	21.4
95.08591	58.7
97.06517	19.9
97.10146	14.9
99.08089	23.6
105.07030	31.3
107.04964	6.9
107.08591	31.9
108.83252	4.3
109.06508	11.7
109.10141	28.1
111.08073	36.9
112.29597	4.1
113.09635	13.2
117.06988	8.5
119.08587	22.3
119.67125	4.8
121.10137	22.2
123.08046	18.9
123.11710	9.0
125.09607	8.5
131.08551	8.3
133.10136	25.4
135.08067	7.0
135.11682	18.4
137.09616	8.4
137.13200	4.4
139.11172	9.0
143.08551	7.9
145.10133	7.2
147.11668	21.4
149.09686	5.8
149.13252	14.8
151.11188	34.6
157.10173	7.6
159.11723	6.5
161.13258	15.4
163.11224	14.0
165.12737	24.1
166.23810	4.7
171.11685	6.1
175.14914	7.0
179.14299	19.2
189.11166	6.5
189.12738	5.1
221.05984	8.2
231.20947	5.9
249.22104	7.3
259.20529	16.9
277.21616	100.0
295.22711	58.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2265
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
50.01373	3.3
53.03947	6.6
54.87754	3.0
55.01873	6.3
55.05507	33.2
57.03439	6.6
57.07072	9.3
63.89154	2.8
67.05503	66.6
69.07059	28.3
69.45264	26.6
71.04983	8.2
71.08629	100.0
72.11347	2.6
79.05496	49.5
80.05820	3.6
81.03422	11.8
81.07052	58.4
82.07384	3.7
83.04992	20.0
83.08607	19.1
91.05479	45.5
93.07046	66.1
94.07395	2.9
95.04972	20.3
95.08605	39.9
96.05321	4.1
97.06520	18.0
97.10165	8.5
98.21461	6.5
99.08090	88.6
104.69200	2.9
105.07018	38.7
107.04976	9.9
107.08590	37.7
108.08929	5.7
109.06518	6.8
109.10174	17.1
111.08086	9.2
117.07030	10.8
119.08591	24.4
121.06564	5.0
121.10143	26.7
123.08073	4.5
123.11639	3.1
125.09635	4.9
129.07030	5.7
131.08569	8.5
133.10126	13.3
135.08124	3.3
135.11687	17.1
137.05930	4.1
137.09666	4.0
139.07454	3.2
141.12773	3.3
143.08530	6.2
145.10139	13.1
147.11707	14.0
149.09630	5.4
149.13237	12.8
151.11174	59.2
153.12764	4.5
157.10150	5.6
159.11691	5.3
160.19652	2.8
161.09659	2.8
161.13275	32.6
163.11183	34.6
163.14838	5.1
165.12791	5.3
171.11760	6.3
173.13232	5.7
175.14764	3.2
179.14319	31.8
184.07391	4.8
185.13313	7.8
189.12819	3.4
199.14763	5.1
207.13853	2.9
241.19461	9.6
259.20474	6.3
277.21634	61.4
284.30719	2.9
295.22629	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1022
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
55.01867	9.7
55.05497	11.4
57.03435	54.9
61.02927	11.0
67.05493	24.2
69.03435	74.8
69.03787	10.9
69.07056	20.5
71.01360	9.9
71.04995	8.9
71.51049	8.1
73.02913	100.0
73.94207	5.4
79.05466	10.6
81.03413	13.6
81.07059	33.8
83.08589	6.6
85.02904	62.3
87.04467	18.5
91.05477	11.6
93.07037	12.7
95.08599	26.3
97.02892	80.8
97.06509	9.0
103.05480	6.8
105.07047	12.5
107.08602	11.5
109.10146	10.8
112.31966	5.6
113.11256	5.6
115.03934	80.5
119.08524	5.6
121.10098	13.3
123.11739	16.8
127.03928	16.6
133.04996	37.3
133.06566	6.4
133.10130	7.8
137.13329	6.1
145.04967	19.8
147.04417	7.3
151.03899	55.6
165.11340	6.8
178.07780	12.4
179.08542	7.4
189.07079	9.4
202.36020	6.1
207.08098	14.2
220.05180	9.0
221.05916	11.8
224.08438	7.7
234.06781	13.9
235.07520	30.9
251.06953	8.3
252.07637	16.7
263.07080	16.0
263.10843	6.7
267.10181	17.1
277.08859	9.7
277.21603	8.9
280.07336	8.5
295.06552	8.3
295.09848	83.4
295.17419	6.0
295.22617	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	295.2056
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93018	4.4
53.03926	10.4
55.01859	17.4
55.05512	48.4
57.03428	4.8
57.07063	20.7
65.03936	7.3
67.05503	68.5
69.03416	6.4
69.07070	52.7
69.19856	7.3
69.20190	54.6
71.08617	6.9
73.06567	6.6
79.05489	75.4
81.03403	16.4
81.07060	93.2
83.04976	15.5
83.08617	26.2
85.06543	9.3
85.10150	9.9
91.05477	84.1
93.06498	6.1
93.07041	100.0
95.04959	58.5
95.08606	70.0
97.06509	20.1
97.10168	11.4
99.08076	8.2
103.05464	9.0
105.07032	98.3
107.08592	55.5
109.06515	18.2
109.10165	37.1
111.04402	5.5
111.08076	4.7
113.09641	19.1
115.05527	4.4
117.07025	23.8
119.08587	92.1
121.06531	25.2
121.10142	40.1
123.08060	13.9
123.11690	7.3
125.05995	7.0
125.09624	6.8
128.06229	9.3
129.07016	12.7
131.08594	37.9
133.06505	9.1
133.10133	98.8
135.08037	5.3
135.11647	25.1
137.09621	8.1
139.11223	5.6
141.06979	13.4
141.36505	4.6
142.07794	22.7
143.08554	33.7
144.09331	8.0
145.10133	54.4
147.08035	13.7
147.11691	18.9
149.09659	10.3
149.13316	8.2
151.07605	6.4
151.11194	12.8
155.08505	16.0
156.09299	19.3
157.10129	44.7
158.10870	18.6
159.08008	5.8
159.11710	31.0
161.09677	5.3
161.13281	10.2
163.11186	7.3
165.01878	5.2
165.07011	5.9
165.09155	9.1
165.12717	14.6
169.10109	17.0
170.10872	10.1
171.11646	39.5
172.12404	6.1
173.13258	67.9
175.03906	9.3
175.07509	5.9
175.11185	8.3
175.14848	18.6
179.08580	7.7
179.14291	8.1
181.10081	5.4
182.10930	10.2
183.11612	13.3
184.07390	8.8
184.12444	7.8
185.13243	15.2
187.14873	12.3
189.12782	5.5
193.10176	6.1
194.10925	7.9
195.11751	12.9
196.12520	6.3
197.13252	19.1
199.14774	16.2
207.11699	8.6
209.13155	6.9
211.14777	21.8
221.13297	9.8
225.11172	50.6
225.16519	6.1
235.14880	6.5
241.19295	5.1
249.22198	11.2
267.21149	5.4
277.21683	58.3
295.19830	39.0
295.22687	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	295.1022
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
53.03976	4.3
55.05507	7.2
56.96572	5.7
57.03433	62.9
57.04301	4.0
57.07088	5.3
58.80297	4.4
59.05006	6.1
61.02911	19.9
63.04057	3.4
63.73687	3.9
65.03960	3.8
67.05511	9.4
69.03424	72.7
69.07069	7.9
70.06570	6.5
71.01344	11.0
71.04989	3.9
71.50909	4.7
71.51301	5.0
72.08138	20.2
73.02915	96.0
79.05502	7.1
81.03415	14.5
81.07038	7.7
84.04507	7.4
84.08157	11.9
85.02901	93.1
86.06047	6.4
86.09693	11.6
87.04436	8.5
91.05473	29.5
93.07047	5.6
95.04954	7.9
95.08608	7.3
97.02888	66.4
99.04429	4.5
104.07120	4.7
105.07040	8.5
107.04947	8.6
109.02882	9.4
115.03926	62.0
119.04950	16.3
119.08656	4.9
120.08118	21.6
121.06529	5.4
122.97865	3.8
123.04443	4.2
127.03918	18.9
127.11388	4.0
131.04958	5.3
133.02797	5.5
133.04924	26.8
133.06470	4.7
136.07567	100.0
145.04974	14.9
147.04372	10.0
148.83882	4.7
150.07730	44.4
151.03879	48.3
160.75929	5.0
166.08688	7.0
175.03918	9.5
177.07341	6.3
181.04988	8.7
183.43225	4.4
186.48323	4.6
221.05989	28.2
233.12953	5.1
247.07901	4.8
249.05531	16.5
249.15964	4.8
265.09015	9.4
277.21826	3.9
295.05811	22.4
295.10181	41.7
295.13080	8.1
295.16605	14.7
296.15271	5.1
301.77811	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	294.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.4
55.05505	0.9
57.07063	0.5
60.33796	0.3
61.88360	0.3
66.04707	0.5
67.05506	1.6
69.07062	0.8
69.94518	1.7
71.08616	0.4
77.79865	0.3
79.05482	1.4
81.03403	0.3
81.07055	3.1
83.08614	0.6
91.05484	1.2
93.07010	0.5
94.04194	2.5
95.04959	1.3
95.08601	0.5
95.33426	0.3
96.08955	0.5
97.06555	0.3
97.10126	0.4
98.20868	0.5
105.07050	0.7
106.07380	0.4
107.04952	0.6
107.08585	1.2
108.08920	0.4
109.06519	0.8
109.10201	0.4
110.10461	0.4
112.71206	0.4
119.08581	0.4
122.03653	6.7
123.11720	1.6
134.10497	0.4
137.05975	100.0
138.06273	1.5
151.11087	0.4
152.11497	0.6
158.15407	1.4
170.15407	2.3
276.20419	2.4
294.07614	0.6
294.21170	1.7
317.53595	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.1
53.84952	1.1
55.01856	1.9
55.05513	23.0
56.33873	1.2
57.07080	17.1
64.64410	1.3
67.05509	33.6
69.07070	46.2
70.64729	1.0
70.76800	3.5
71.04975	3.0
71.08639	8.7
71.88742	1.4
79.05489	11.6
81.07059	93.6
83.04966	1.5
83.08625	34.0
85.06544	7.4
85.10192	2.1
86.09683	1.3
87.45665	1.2
91.05444	6.6
93.07047	23.2
95.04974	2.8
95.08610	100.0
96.08897	1.2
97.06529	5.0
97.10171	16.4
99.08104	8.8
102.47488	1.4
105.07025	4.7
107.08597	26.3
109.10160	50.9
111.08102	9.6
111.11723	10.4
113.09648	1.7
119.08564	2.7
121.10146	16.6
123.11714	38.2
125.09601	3.8
125.13275	5.0
131.04970	1.7
131.08498	1.7
133.10065	2.4
135.11690	9.1
137.12195	2.0
137.13252	38.3
139.11143	1.7
141.88968	1.3
149.13260	22.0
151.14839	6.1
153.12733	3.7
163.14827	4.7
165.16397	2.5
167.14323	11.3
177.16371	2.9
179.18016	1.9
193.19626	1.9
205.19492	2.4
219.21210	2.6
249.25862	3.4
275.20023	2.1
275.27298	7.1
293.11676	3.8
293.21243	1.9
293.25049	1.8
293.28378	38.4
294.08032	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2064
Annotation	NONIVAMIDE
Peak:m/z	Relative Intensity
55.01869	0.4
55.05505	0.9
57.07063	0.5
60.33796	0.3
61.88360	0.3
66.04707	0.5
67.05506	1.6
69.07062	0.8
69.94518	1.7
71.08616	0.4
77.79865	0.3
79.05482	1.4
81.03403	0.3
81.07055	3.1
83.08614	0.6
91.05484	1.2
93.07010	0.5
94.04194	2.5
95.04959	1.3
95.08601	0.5
95.33426	0.3
96.08955	0.5
97.06555	0.3
97.10126	0.4
98.20868	0.5
105.07050	0.7
106.07380	0.4
107.04952	0.6
107.08585	1.2
108.08920	0.4
109.06519	0.8
109.10201	0.4
110.10461	0.4
112.71206	0.4
119.08581	0.4
122.03653	6.7
123.11720	1.6
134.10497	0.4
137.05975	100.0
138.06273	1.5
151.11087	0.4
152.11497	0.6
158.15407	1.4
170.15407	2.3
276.20419	2.4
294.07614	0.6
294.21170	1.7
317.53595	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2835
Annotation	SCHEMBL8161733
Peak:m/z	Relative Intensity
53.03939	1.3
55.01868	1.7
55.05508	23.0
57.07077	17.5
62.98639	1.4
67.05501	29.8
68.04503	1.3
69.03413	2.5
69.07066	45.8
71.04977	2.0
71.08623	6.9
71.35751	1.5
72.93767	1.2
73.85452	1.2
79.05476	14.4
81.07052	87.3
83.04961	1.8
83.08613	23.2
85.06538	10.8
85.10158	1.3
91.05467	9.3
93.07043	20.6
95.04952	4.4
95.08600	100.0
96.08921	1.8
97.06507	3.6
97.10152	13.5
99.08076	8.7
103.50309	1.5
105.07023	5.2
107.04948	3.7
107.08593	20.1
109.06460	1.5
109.10146	48.8
111.07420	1.6
111.08073	9.2
111.11710	7.4
113.09657	1.4
114.20318	1.2
115.05454	1.8
117.07001	3.5
119.08533	1.5
121.10146	12.7
123.10831	2.8
123.11694	38.4
125.02338	3.2
125.13238	3.8
128.06134	1.8
128.64537	1.3
129.06999	3.5
131.04915	1.3
131.08553	5.6
133.10069	1.9
135.11665	8.6
137.13246	51.4
142.40674	1.2
143.08519	1.7
145.06416	2.8
149.06007	1.5
149.13260	16.6
151.03857	6.4
151.14816	5.4
159.08083	2.3
161.09666	1.4
163.14806	4.9
165.16444	1.9
167.14299	7.1
173.06068	1.4
177.05399	1.7
177.09149	3.3
177.12697	1.7
177.16420	2.6
187.07405	1.4
193.62259	1.5
211.11247	1.6
219.21059	1.6
223.20709	1.4
229.12268	2.5
237.22166	1.7
257.11655	2.1
275.27277	4.2
293.28357	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	293.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08092	1.2
52.76600	1.1
53.03926	3.3
55.01859	5.0
55.05510	31.6
57.03419	2.8
57.06841	1.4
57.07076	19.7
65.03943	1.2
67.05504	39.8
67.78616	1.1
69.03410	4.9
69.07069	54.5
69.98164	4.8
71.04981	5.6
71.08627	9.9
79.05490	21.2
79.92414	1.1
81.03391	3.0
81.07055	100.0
82.07370	1.8
83.04974	5.9
83.08617	38.4
85.02861	3.3
85.06552	13.6
85.10197	1.9
90.35278	1.2
91.05476	17.1
93.06499	2.1
93.07047	31.2
95.04965	7.7
95.08605	90.5
97.02841	1.6
97.06540	8.2
97.10159	16.3
99.08088	7.8
100.11264	1.6
101.05999	4.7
103.05442	4.0
105.07034	11.3
107.04929	6.2
107.08594	37.4
109.02898	3.1
109.06502	5.4
109.10159	59.5
111.08076	11.1
111.11704	9.8
113.09628	2.7
115.05434	3.3
117.07007	4.6
119.04922	1.4
119.08563	7.1
121.06504	4.9
121.10154	21.9
123.04423	2.2
123.08041	2.0
123.11706	36.5
125.02336	3.9
125.09607	5.2
125.13257	3.0
128.06209	1.7
129.06992	3.0
131.04944	6.4
131.08553	8.9
133.10124	4.5
135.04401	1.7
135.08025	2.8
135.11688	12.7
137.13251	22.7
139.11165	3.8
139.14767	1.5
141.06996	1.7
145.06482	3.1
145.10115	4.2
147.11697	1.7
149.02338	3.3
149.06042	1.6
149.09586	2.6
149.13268	23.2
151.03929	6.1
151.11153	2.0
151.14828	4.8
153.05415	2.1
153.12737	4.4
159.08073	3.7
159.11681	2.9
161.09619	2.5
163.11259	1.2
163.14809	6.6
165.16377	2.6
167.14307	6.3
169.06364	1.3
173.05937	1.4
173.13235	2.5
175.07448	1.5
177.05446	1.6
177.09164	2.9
177.16325	2.0
179.17986	2.9
181.06413	1.5
183.11674	1.3
187.07599	2.3
191.17963	1.9
194.07407	2.8
201.12802	1.8
205.06494	1.5
211.11133	2.7
215.06779	1.4
219.07977	2.0
219.13718	1.5
219.21129	2.0
222.06792	3.1
223.20590	1.5
229.12167	2.9
233.05949	2.2
235.07364	1.7
237.22226	1.2
239.17889	1.4
241.80972	1.2
249.25821	2.4
250.06224	3.7
261.09143	2.6
265.08618	5.6
275.20084	6.8
275.27298	8.0
276.16522	1.4
278.05933	1.4
278.09393	2.2
279.05829	1.5
293.08032	13.5
293.11676	13.5
293.14508	1.9
293.21320	3.8
293.28372	45.4
294.08206	5.7
294.12003	2.1
294.28748	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	293.2835
Annotation	SCHEMBL8161733
Peak:m/z	Relative Intensity
53.03938	2.9
54.51023	1.2
55.01857	5.0
55.05507	33.1
55.69158	1.2
56.96550	3.7
57.03416	2.0
57.06804	1.3
57.07069	19.6
59.04995	1.5
65.03923	1.8
67.05500	38.1
69.03412	2.2
69.07063	58.7
70.64412	1.7
70.64745	2.7
71.04972	5.4
71.08627	12.6
79.05485	25.1
81.03391	2.3
81.07050	100.0
82.07391	1.3
83.04962	4.2
83.08616	43.4
85.02893	3.3
85.06537	11.2
85.10163	3.2
85.81776	1.2
91.05468	14.3
93.07037	37.9
94.60159	1.1
95.04964	6.4
95.08598	93.1
97.06537	10.6
97.10161	21.0
99.08077	10.0
103.05473	1.3
105.07027	10.9
107.04917	2.6
107.08582	38.8
109.06489	3.3
109.10150	63.2
111.04447	2.1
111.08063	14.4
111.11697	9.0
113.09639	1.7
115.05403	1.8
117.06988	4.6
119.08539	6.2
121.09334	2.1
121.10137	26.4
123.11699	39.4
123.80968	1.3
125.09565	5.7
125.13243	2.4
127.11211	2.6
131.04897	1.7
131.08508	5.9
133.06444	1.8
133.10072	5.5
135.08051	1.9
135.11658	11.8
137.09639	2.0
137.13257	20.0
139.11148	3.1
145.06488	1.4
145.10059	2.8
147.11674	3.1
149.09584	2.7
149.13239	28.3
151.07285	1.2
151.14804	7.2
153.12720	4.7
155.08534	1.4
155.14391	1.6
161.02293	2.9
161.13237	1.7
163.11177	2.3
163.14809	11.3
165.06937	1.5
165.16382	4.5
166.07809	1.2
167.14308	6.0
173.02316	5.1
177.16364	2.5
179.17926	3.8
191.18027	1.8
193.19525	3.0
195.08057	1.8
199.03978	1.4
203.02293	1.2
205.19540	3.8
207.21060	1.5
211.07477	1.6
215.06488	3.9
219.21031	3.4
224.06964	1.5
233.05801	1.5
233.69359	1.2
237.09122	2.9
237.22127	1.7
239.07079	2.8
239.17981	1.4
247.20850	1.2
249.25758	4.6
251.06952	2.4
257.19019	2.2
275.20102	12.4
275.27231	8.8
293.08606	1.9
293.11658	17.6
293.15207	3.8
293.21335	7.3
293.24921	2.3
293.28348	39.6
294.07623	1.8
302.08792	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2108
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03925	6.5
55.01861	6.8
55.05507	25.3
67.05505	25.3
69.07063	17.0
70.14765	5.2
70.15163	5.4
71.04980	4.1
79.05490	20.7
81.03428	13.8
81.07050	37.9
81.87523	2.6
83.04960	6.2
83.08620	42.6
85.06554	3.8
91.05486	16.3
93.07040	24.2
95.04964	20.3
95.08588	14.2
97.06509	5.4
97.10175	3.4
105.07037	20.5
107.04955	17.2
107.08581	17.8
109.06529	11.9
109.10166	4.2
110.96606	2.1
111.08081	10.8
116.04774	2.3
117.07014	4.0
119.08575	16.5
121.06497	6.2
121.10140	14.2
123.08037	6.0
123.11713	2.4
129.06982	2.3
131.08565	11.6
133.10132	15.4
135.08015	2.7
135.11699	13.6
137.09579	3.6
143.08603	3.7
145.06445	5.0
145.10112	14.8
147.08025	3.8
147.11635	13.4
149.09615	14.5
151.11185	8.5
155.08569	4.8
159.11697	7.0
161.13251	4.7
163.11168	18.4
165.12729	5.5
171.11687	2.7
173.09669	14.0
173.13217	3.8
175.11107	2.6
187.11118	3.3
187.14854	2.5
188.04745	2.4
191.10701	3.4
219.13887	2.8
223.13293	5.7
229.19731	5.5
235.16866	2.8
239.18007	4.3
247.20647	4.7
257.16711	2.9
257.18985	15.3
257.21271	2.6
275.20056	100.0
293.21100	88.3
294.21497	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.211
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03939	9.9
54.06100	3.5
55.01877	5.2
55.05514	24.2
57.04746	3.4
58.34510	3.5
67.05504	100.0
69.07069	21.1
72.40120	3.9
79.05498	34.7
81.03424	8.2
81.07055	96.2
83.04970	4.5
83.08607	19.9
85.06499	4.0
87.24886	3.9
88.93555	4.0
91.05473	21.9
93.07041	43.7
95.04971	24.8
95.08608	90.5
97.06534	11.8
97.10163	9.6
105.07047	26.1
107.04930	8.8
107.08584	36.7
109.06506	6.4
109.10172	41.4
111.08072	5.6
117.07021	11.5
119.08607	21.3
121.06500	4.3
121.10130	20.0
123.08073	7.2
123.11701	12.7
125.09612	5.5
129.07010	4.6
131.08577	15.7
133.10152	18.1
135.08099	6.2
135.11673	8.4
137.09621	8.5
137.13260	8.0
145.10100	21.3
147.11703	13.8
149.09634	35.6
149.13264	7.0
151.11172	7.7
159.11700	13.2
161.13289	5.5
163.11157	23.2
165.12723	5.8
173.13324	9.1
177.12791	6.3
177.69682	3.5
179.14326	5.1
223.13222	5.2
229.19690	5.0
239.17967	15.7
243.21060	4.1
247.20570	4.5
257.19138	24.4
275.20071	98.5
279.05234	3.5
293.21106	21.7
293.24713	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	293.2109
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.03950	37.6
55.01854	24.5
55.05506	33.3
57.03424	13.3
57.07070	6.9
67.05505	71.7
69.06802	5.0
69.07068	56.8
71.36915	10.8
79.05488	58.8
81.03414	62.2
81.06599	8.0
81.07054	100.0
83.04960	16.3
83.08611	10.5
91.05471	65.2
93.07043	48.2
95.01343	9.3
95.04975	42.9
95.08611	49.1
97.06535	41.7
105.07029	89.8
107.04926	26.9
107.08591	34.6
109.06501	14.5
109.10123	12.5
117.07008	26.1
119.08566	44.3
121.06485	11.5
121.10133	16.5
122.29763	6.0
123.08107	10.6
131.08565	29.7
133.10118	57.3
135.11646	11.7
145.06483	10.5
145.10069	20.2
147.11644	27.8
149.09615	21.0
149.13272	8.5
151.11215	8.1
159.11655	9.7
163.11194	8.6
169.10107	8.6
179.14325	14.1
186.69759	5.6
187.11206	12.7
219.17368	8.8
237.18515	27.5
247.20447	5.8
257.18948	14.3
275.20071	85.9
293.21091	64.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2109
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.03936	4.9
55.01865	12.0
55.05511	47.8
57.03421	3.4
64.50865	2.6
67.05502	35.0
69.07063	13.3
69.19690	26.5
69.20095	4.9
71.04971	3.3
79.05497	70.6
81.03378	3.6
81.07056	27.8
82.52071	2.6
83.04973	11.3
83.08633	18.1
91.05471	29.4
93.07032	30.2
95.04951	8.6
95.08604	11.3
97.06514	12.5
97.10165	26.0
98.21526	7.1
105.07046	23.6
107.04955	38.6
107.08582	61.3
109.06520	6.0
109.10152	16.8
111.08028	2.8
117.06998	10.1
119.08538	18.0
121.06497	3.8
121.10127	13.9
123.11678	8.6
125.09630	25.7
131.08572	11.6
133.10114	17.1
135.08060	5.6
135.11649	4.0
145.10092	8.8
147.11630	12.0
149.09612	78.5
153.09117	4.8
159.11661	8.4
161.13220	6.4
163.11153	3.7
167.10768	3.8
169.12277	3.3
171.10210	3.3
173.11771	2.7
173.13176	4.3
187.11259	3.7
187.13191	3.1
189.11220	22.7
191.14206	2.9
229.19528	10.0
237.54140	2.8
239.17943	5.1
247.20741	4.2
257.18985	20.3
275.17044	6.1
275.20053	100.0
276.20267	4.0
293.21182	18.6
311.92346	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	293.2107
Annotation	12-OPDA
Peak:m/z	Relative Intensity
52.61050	1.1
53.03937	1.7
55.01859	4.2
55.05510	13.0
57.03423	1.3
57.07064	1.9
61.77979	1.0
65.03935	2.0
67.05502	25.4
69.03440	1.8
69.07066	19.9
70.58125	3.5
71.04978	2.7
79.05489	16.2
81.07053	29.1
83.04984	6.1
83.08607	4.3
85.06540	2.0
91.04912	1.5
91.05474	18.8
93.07046	23.0
95.04967	8.4
95.08610	18.3
97.06524	3.0
105.07035	26.3
107.04953	5.9
107.08600	12.5
109.06511	10.2
109.10160	8.1
111.08064	2.0
116.34028	1.2
117.07024	6.6
119.08584	13.9
121.06533	8.9
121.10155	7.4
123.08074	4.1
123.11726	3.1
125.09662	1.7
129.06996	1.7
131.08566	13.7
133.06430	1.6
133.10126	16.2
134.42873	1.2
135.08055	3.6
135.11659	4.1
137.09680	2.0
143.08591	2.9
145.10106	11.1
147.08038	3.1
147.11696	11.4
149.09613	4.1
149.13245	2.2
151.11191	7.8
155.08466	1.6
157.10156	3.1
159.08057	1.8
159.11691	7.7
161.09637	2.9
161.13213	3.1
163.11150	6.2
171.11632	2.2
173.09540	1.9
173.13248	4.8
175.11185	1.7
182.29201	1.1
183.11768	2.8
187.11136	1.7
191.14288	2.8
199.14861	1.8
201.12694	1.6
205.19635	1.5
207.13812	3.1
215.14302	1.5
215.17958	1.6
219.13821	4.8
229.19572	2.9
237.14983	1.5
239.17897	2.4
247.20694	2.7
257.18976	13.5
275.20059	100.0
276.20267	1.5
293.21091	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	293.211
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03946	7.3
53.05467	2.8
55.01878	18.4
55.05513	26.9
57.03423	3.6
65.03951	3.5
66.28783	3.1
67.05505	43.5
69.07073	26.9
70.13956	12.1
71.05011	3.7
79.05492	44.1
81.03419	14.5
81.07056	100.0
83.04979	7.6
83.08608	11.0
85.06509	3.6
91.05479	35.7
93.07044	32.3
95.04964	34.9
95.08613	36.5
97.06551	12.5
97.10161	9.4
99.08066	3.9
103.89706	3.2
105.07030	40.8
107.04955	17.2
107.08592	22.1
109.06546	33.0
109.10168	14.5
111.08081	6.8
117.07033	9.5
119.08596	31.5
121.06503	7.5
121.10161	19.0
123.08073	19.2
123.11716	5.7
125.09608	10.1
131.08598	15.4
133.10155	20.6
135.08061	9.6
135.11665	7.2
137.09651	8.6
141.75838	3.1
145.10117	12.9
147.11659	23.4
149.09627	11.9
149.13243	9.8
151.11142	7.5
157.10132	3.6
159.11667	13.6
163.11192	9.2
165.12775	5.4
169.10329	4.1
173.09628	3.5
173.13307	5.7
175.11192	4.5
177.12772	5.3
189.11157	4.4
191.14363	4.4
193.12247	4.9
206.72096	2.8
229.19525	5.3
237.14873	6.2
247.20686	9.0
257.19006	11.0
275.20059	95.3
276.20392	6.4
293.21127	71.0
294.21539	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	293.2109
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03943	8.1
55.01868	17.1
55.05517	39.7
57.03437	5.3
57.07066	3.8
65.03925	3.6
67.05511	61.3
69.03417	3.7
69.07066	26.0
70.24367	3.2
70.24712	12.3
71.04984	3.9
74.78909	2.8
79.05495	48.9
81.03423	15.8
81.07056	56.4
83.04980	11.3
83.08616	35.7
85.06550	5.3
91.05485	31.0
93.07047	50.8
95.04968	36.0
95.08607	37.6
95.54744	3.2
97.02882	4.1
97.06531	9.7
97.10166	9.0
103.76962	3.2
105.07027	36.8
107.04957	13.0
107.08591	33.8
109.06525	14.6
109.10157	30.6
111.08070	14.8
117.03568	3.0
117.07014	13.7
118.21974	3.3
119.08583	26.5
121.06511	6.6
121.10111	19.5
123.08050	11.1
123.11694	3.5
125.09604	8.6
129.07008	5.1
131.08577	16.8
133.10138	32.7
135.08061	11.0
135.11710	12.4
137.09616	16.8
145.10112	19.5
147.08063	5.4
147.11687	14.3
149.09605	40.6
149.13213	5.0
151.11188	13.1
155.08551	4.4
159.11693	10.6
161.09705	4.1
161.13278	6.9
163.11194	28.9
165.12759	7.0
173.09579	6.5
173.13277	9.4
175.14775	3.3
177.12732	4.7
187.11282	3.5
191.10666	3.5
191.14311	4.2
207.13876	3.5
214.18291	3.3
223.13329	8.1
239.17914	11.8
247.20563	4.0
257.18994	14.4
268.36841	3.0
275.20074	100.0
277.41928	2.9
293.21057	60.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.211
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
51.81332	1.8
53.03938	5.2
55.01860	7.6
55.05512	22.2
57.03425	5.9
57.07065	2.1
67.05505	42.3
69.03434	2.6
69.07064	20.7
70.96699	2.0
70.97041	5.0
71.04989	4.9
79.05497	44.3
81.03407	7.8
81.07059	100.0
81.07537	5.2
83.04971	5.1
83.08627	13.3
85.06535	3.2
91.05480	37.9
93.06495	3.0
93.07046	38.9
93.73157	2.0
95.04963	22.7
95.08614	33.3
97.06536	7.4
97.10181	2.9
99.08060	4.2
105.07028	35.2
107.04935	9.4
107.08589	27.0
109.06506	27.2
109.10152	15.1
111.08062	3.7
117.06997	9.6
119.08592	32.8
121.06509	5.9
121.10159	19.7
121.40820	2.1
123.08069	13.1
123.11703	7.1
125.09647	3.2
129.06975	3.4
130.93484	2.3
131.08571	12.4
133.10136	21.7
135.08026	7.2
135.11690	7.5
137.09613	11.0
139.11186	2.3
143.08516	2.5
145.06517	2.8
145.10112	15.4
147.11685	19.5
149.09630	11.8
156.70908	2.6
157.10115	4.5
159.11694	7.5
161.13219	3.3
163.11172	8.7
165.09177	2.3
165.12769	3.7
171.11615	2.9
173.13275	6.5
178.99925	2.3
183.11621	3.6
197.13245	2.6
219.17612	2.4
229.19522	3.4
239.17943	3.8
245.74712	2.1
247.20663	5.6
257.18881	10.5
275.20078	65.5
276.20264	3.0
293.21146	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	293.211
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03948	5.7
55.01870	8.5
55.05513	25.2
57.03432	4.0
57.07079	2.3
65.03941	3.4
67.05506	45.7
69.03415	2.1
69.07062	16.6
70.76742	5.6
71.04982	5.9
75.10634	2.2
79.05495	42.4
81.03405	6.7
81.07057	100.0
82.07379	3.6
83.04969	6.8
83.08628	14.5
85.06548	3.0
87.26518	2.3
91.05491	40.5
93.07039	24.9
95.04968	17.7
95.08611	29.8
97.06525	6.4
97.10160	4.1
105.07043	39.3
107.04964	7.4
107.08598	29.2
109.06500	26.7
109.10167	23.3
110.06786	2.5
111.08113	6.6
117.07008	9.0
119.08589	36.9
120.08884	2.5
121.06496	3.5
121.10149	16.8
123.08074	9.2
123.11702	4.5
129.06935	4.3
131.08530	17.9
133.10112	31.2
135.08046	6.4
135.11676	6.2
137.09621	11.6
145.10138	8.2
147.11662	15.0
149.09608	11.8
149.13304	3.2
151.11182	7.2
157.10118	4.9
159.11742	7.4
161.13243	4.8
163.11212	12.5
165.12715	2.7
169.10135	2.9
173.09605	3.2
173.13290	5.9
175.11292	4.4
177.12804	4.0
182.42146	2.2
197.13264	2.9
201.12885	3.6
223.48125	2.3
240.90295	2.6
247.20555	4.5
252.97342	3.1
257.19064	11.5
275.20071	63.7
276.20514	2.8
282.17804	2.4
293.21082	44.8
293.24304	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.211
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03947	8.3
55.01877	25.1
55.05513	38.2
57.03428	3.4
67.05500	47.2
69.07065	17.7
70.11976	12.3
71.05014	3.6
79.05497	62.4
81.03408	8.8
81.07057	44.7
83.04980	7.4
83.08620	20.5
85.06547	3.0
91.05477	38.8
93.07043	39.0
95.04959	20.3
95.08614	24.0
97.06531	26.6
97.10166	19.7
105.07026	39.7
105.10658	3.2
107.04961	20.8
107.08588	94.5
109.06512	12.6
109.10166	12.2
111.08064	6.7
117.07017	8.1
119.08566	21.9
121.06502	7.6
121.10122	18.2
122.03630	3.1
123.08060	8.4
123.11711	4.3
125.09647	18.9
126.98344	2.7
131.08565	12.6
133.10150	20.7
135.08055	4.5
135.11700	5.1
137.04918	3.3
137.05968	64.2
137.06950	4.2
137.09647	5.7
143.08623	5.4
145.10112	15.6
147.11682	11.9
149.09630	23.7
151.11194	8.2
153.53571	3.3
155.08450	2.8
159.11728	9.3
161.13284	5.3
163.11189	9.2
165.09149	8.7
171.11716	4.2
173.13231	9.2
177.12708	4.3
183.11716	4.1
187.14842	3.0
189.11197	13.7
215.17961	5.8
223.13293	3.0
229.19475	4.4
247.20595	9.3
249.39969	2.8
257.18997	18.0
275.20062	100.0
276.20294	3.3
279.05298	3.2
293.21094	25.4
294.07388	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	293.2109
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03949	3.5
53.39591	1.8
55.01867	12.5
55.05512	69.0
56.32363	2.0
57.03421	3.5
57.07067	3.8
65.03930	3.2
67.05505	42.4
69.03413	3.2
69.07069	18.0
69.83345	3.5
69.83756	8.6
71.04976	4.9
79.05495	47.8
80.05795	1.9
81.03403	8.3
81.07056	35.6
83.04977	7.3
83.08615	32.4
85.02899	3.1
91.05469	28.0
93.07037	36.2
95.04967	100.0
95.08597	18.2
97.06519	7.4
97.10164	25.6
105.07034	33.6
107.04945	13.3
107.08590	48.9
109.06527	6.9
109.10143	14.2
111.04444	4.3
111.08055	6.1
117.07018	11.7
119.08596	16.3
121.06481	6.7
121.10165	14.4
123.08034	4.5
123.11719	2.1
125.09626	27.3
129.06996	3.1
131.08537	15.0
133.10132	16.4
135.08058	8.4
135.11668	7.8
137.09602	3.4
143.08554	3.6
145.10121	16.3
147.08109	5.1
147.11723	10.3
149.09616	65.5
149.13171	2.0
159.11694	12.7
161.09590	2.3
161.13289	3.7
163.11172	29.3
169.10057	3.4
171.11632	3.7
173.13243	5.3
173.99524	2.2
177.12750	4.4
181.05087	2.8
187.11115	5.2
189.11208	23.1
191.10710	2.1
192.42342	2.0
205.12239	6.3
209.11687	4.9
223.13292	35.8
229.19489	4.0
237.11221	7.3
239.17874	3.4
247.20627	3.7
249.58347	2.0
257.19043	14.2
275.20068	89.6
276.20499	3.6
293.21100	69.8
294.21259	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	293.2108
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03935	2.8
53.04373	1.4
55.01870	15.8
55.05510	43.9
57.03432	2.6
57.07061	2.8
58.06960	1.1
65.03928	1.7
67.05502	30.9
69.03417	3.3
69.07065	14.5
70.76167	2.1
70.76509	1.3
71.04980	4.5
71.08629	10.6
79.05492	32.7
81.03420	11.0
81.07053	35.0
81.93552	1.2
83.04976	11.3
83.08621	20.5
85.02897	2.9
85.06527	1.9
85.10162	2.2
91.05476	18.2
93.07040	22.3
95.04966	96.0
95.08060	1.8
95.08602	18.7
97.06518	7.1
97.10147	9.7
98.12716	1.0
99.04443	1.4
99.08099	9.1
105.07025	17.0
107.04961	11.2
107.08593	21.2
109.06515	11.3
109.10159	8.5
111.04426	5.2
111.08077	5.7
113.09641	1.7
117.07021	8.2
119.08578	10.4
121.06508	6.4
121.10154	9.5
123.08052	6.9
125.09625	9.0
129.06987	3.7
131.08556	7.9
133.10135	8.0
135.08084	5.2
135.11700	7.2
137.09608	3.3
139.11160	2.1
141.09171	1.6
141.97476	1.2
143.06996	1.1
143.08536	1.2
145.10109	11.5
147.08066	4.4
147.11639	4.8
149.09616	18.9
149.13211	1.6
151.11130	2.3
153.09102	12.8
157.10109	1.8
159.11653	4.2
161.09647	2.6
161.13242	2.6
163.11172	35.1
164.11629	1.2
165.12735	12.4
167.10664	3.2
169.10191	1.5
173.13130	1.3
177.12744	4.3
179.10760	1.2
179.14365	1.5
179.17026	1.0
181.12238	1.7
182.17349	1.0
183.11641	1.1
185.13303	1.5
187.11151	3.0
189.11240	2.7
193.12248	2.8
195.13747	8.4
205.12277	5.6
215.18013	1.3
219.13812	1.3
223.13278	30.7
229.19537	2.1
237.14926	2.0
247.20573	3.2
257.18967	4.2
275.20062	31.5
293.21100	100.0
294.07452	2.4
294.21402	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2108
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03920	3.6
55.01867	11.6
55.05512	39.6
56.98751	2.8
57.03432	9.9
57.07083	4.6
58.80171	2.5
62.06398	2.8
62.83316	2.6
67.05505	33.5
69.03445	3.7
69.07070	24.9
70.55981	9.7
71.04983	4.4
79.05492	55.4
81.03415	10.4
81.07053	45.4
82.07461	2.5
83.05021	3.4
83.08617	20.6
85.06526	3.4
91.05477	36.5
92.05788	3.3
93.07036	37.2
94.99778	2.9
95.04966	45.7
95.08604	29.6
96.32900	2.4
97.06523	8.2
97.10168	20.7
105.07016	39.3
107.04955	12.5
107.08596	74.2
109.06507	16.7
109.10154	13.1
111.08071	5.8
117.07037	11.8
119.08580	23.3
121.06513	8.6
121.10141	15.9
123.08070	7.8
125.09608	16.8
129.06946	6.4
131.08563	14.2
133.10083	21.5
135.08066	7.8
135.11703	11.8
137.09634	5.8
143.08611	3.6
145.10094	20.5
147.07979	4.9
147.11710	17.5
149.09599	24.8
151.11176	4.1
157.10104	5.9
159.11710	13.5
161.09605	4.6
161.13194	5.0
163.11211	15.1
169.10167	6.0
172.86502	2.5
173.13235	5.8
175.07594	2.5
177.09067	5.1
177.12799	3.9
181.12289	3.4
185.13245	8.8
189.11183	13.0
197.13222	3.0
203.14383	4.6
219.17436	22.2
221.15450	8.0
223.13278	11.0
229.19516	3.6
234.16774	3.0
239.17900	8.3
242.43512	2.9
257.18866	14.1
275.20068	100.0
276.20432	4.5
279.05280	6.1
293.17706	3.2
293.21066	60.2
294.07584	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	293.2108
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.03947	6.9
55.01872	19.4
55.05512	41.5
57.03426	3.6
57.07082	14.8
65.03938	4.5
67.05503	64.4
69.03416	5.3
69.07069	31.5
69.85935	14.8
71.04981	9.8
71.08615	3.5
77.49708	2.2
79.05486	50.2
81.03423	23.0
81.07053	68.6
83.04974	12.0
83.08619	18.0
85.06551	14.9
85.10168	2.7
91.05478	42.5
93.07045	50.0
95.04966	42.1
95.08604	50.3
97.06527	12.3
97.10159	5.7
99.04442	3.6
99.08110	5.0
105.07034	35.1
105.32167	2.1
107.04952	15.4
107.08590	38.6
107.84874	2.0
109.06520	15.1
109.10160	23.1
111.04422	12.5
111.08061	7.8
113.09657	4.0
117.07020	11.3
119.08559	23.0
121.06505	10.2
121.10147	17.2
123.04390	3.0
123.08068	16.5
123.11711	8.6
125.09637	9.6
129.07016	5.0
131.08585	20.0
133.10126	29.9
135.08032	5.0
135.11685	12.9
137.09608	60.0
137.10619	4.7
141.07060	3.5
143.08533	2.9
145.06360	2.7
145.10109	17.9
147.07962	4.8
147.11693	11.2
149.09644	14.0
149.13213	5.3
151.11185	20.9
157.10039	3.1
158.35527	2.3
159.11687	10.6
161.13258	4.5
163.11191	16.3
163.14830	5.8
165.09103	7.7
165.12840	4.8
167.10695	4.4
173.13268	5.6
177.12744	8.3
183.11702	3.6
189.11139	2.7
191.10609	3.1
191.14328	7.5
193.12204	2.7
205.12195	2.7
219.13785	3.8
223.13174	3.2
229.19519	6.5
239.17818	3.6
247.20618	15.1
257.19025	12.3
275.20065	87.6
275.38245	2.7
276.20514	3.4
293.21100	100.0
293.24338	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	293.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81383	0.4
55.05493	0.4
57.03434	0.5
59.64273	0.4
66.53679	0.4
66.72604	0.3
67.05495	0.9
69.03423	4.1
69.07041	0.5
71.04977	0.8
71.50941	0.7
79.05492	0.7
81.03414	0.5
81.07035	1.5
85.02908	0.9
91.05457	1.3
93.07047	0.5
95.04963	0.9
95.08582	1.0
103.05508	0.5
104.95988	0.4
105.07022	0.9
107.04941	0.9
107.08603	0.5
108.05730	1.4
109.10130	0.8
111.03717	0.7
111.04440	7.9
115.05434	0.5
117.07028	1.6
119.08567	0.7
121.06489	0.4
123.08066	0.5
125.02273	0.4
129.06987	0.9
131.04895	1.2
131.08545	0.9
135.08044	1.1
136.05186	2.1
137.06003	2.1
144.05727	0.4
144.94144	0.4
145.06494	1.4
149.09618	0.4
151.07535	100.0
152.07874	1.4
153.07030	0.4
155.08434	0.4
157.06439	0.5
159.08076	0.9
163.07495	1.2
171.08029	0.6
173.05902	0.5
173.09529	0.6
175.07565	1.5
177.05432	0.5
177.09085	2.5
187.07567	1.2
189.09041	1.2
191.07050	2.9
191.08540	0.5
191.10646	0.5
193.08629	0.5
195.10107	1.8
197.09637	0.9
199.07549	0.5
201.09142	1.1
203.10660	1.1
205.08604	0.9
215.10641	0.7
217.08560	1.0
219.10143	1.0
219.13850	0.4
229.12259	0.5
247.09775	0.6
259.14825	0.4
275.12671	1.5
278.06033	0.4
293.15784	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2109
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03950	20.0
55.01867	12.9
55.05510	48.9
55.79840	2.1
57.03432	3.0
65.03925	2.9
65.23490	2.3
67.05502	52.5
69.07065	22.9
71.04983	5.5
71.35921	4.5
71.36258	2.7
79.05486	33.5
81.03418	47.5
81.07059	43.8
82.60036	2.3
83.04967	8.1
83.08617	70.9
85.06547	5.2
85.07899	2.9
91.05471	25.6
93.07037	35.8
95.04965	32.0
95.08602	27.2
95.59955	2.1
97.06520	8.6
97.10152	4.7
102.86263	2.2
105.07012	24.5
107.04960	35.2
107.08595	17.8
109.06523	13.8
109.10142	6.4
111.08065	16.4
117.06983	13.9
119.08573	23.1
121.06497	6.3
121.10125	24.7
123.04447	3.1
123.08063	5.3
125.09652	4.8
129.06996	3.6
131.04951	3.7
131.08548	8.8
133.10114	10.6
135.08064	6.7
135.11682	15.0
145.06485	8.4
145.10138	23.1
147.08070	3.3
147.11638	11.4
149.09633	18.8
151.11147	4.0
155.08546	9.7
159.11707	7.1
161.09473	2.2
163.11180	29.7
165.12756	7.8
171.11588	2.8
173.09637	18.9
173.13295	2.6
174.82140	2.4
181.09335	2.6
191.10612	6.0
201.12708	2.9
223.13190	3.3
257.18970	7.2
270.67685	2.6
275.20050	50.8
279.05325	2.7
293.06384	2.5
293.21097	100.0
294.07370	3.3
294.21255	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	293.0633
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52044	1.6
57.92160	1.7
61.71455	1.6
69.88052	3.2
69.88467	6.1
94.28266	1.8
98.21531	1.9
126.82713	1.8
128.30586	1.7
139.74734	1.5
160.97258	1.7
164.14200	1.8
164.52570	1.5
227.08490	1.7
227.47612	1.9
232.64914	1.9
238.26785	1.7
243.79759	1.7
285.30038	1.6
293.06323	100.0
294.06723	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	293.1161
Annotation	N 98-1021A
Peak:m/z	Relative Intensity
53.03945	1.7
55.01858	3.5
55.05495	1.2
56.96568	1.3
57.03432	2.3
60.04492	1.3
61.01150	12.0
67.05497	2.5
67.82427	1.0
69.03442	1.4
69.56433	9.4
70.92725	1.1
71.06086	1.2
72.04514	14.9
73.02905	2.5
78.03368	2.0
78.03793	31.2
81.03398	2.1
81.07027	2.0
83.04970	3.3
84.04480	3.3
84.08146	16.2
85.02904	43.8
86.06081	5.7
86.09694	3.0
87.04448	4.8
90.78349	1.3
98.02455	1.3
98.06018	2.0
99.04445	14.2
102.03768	40.7
102.05525	2.5
103.02155	3.3
103.03938	31.8
104.01698	1.9
104.05014	1.2
107.04999	1.2
108.08128	1.3
109.02881	9.0
114.03732	3.4
114.05485	3.1
115.02220	1.3
118.03228	1.5
118.06532	2.1
118.56489	1.5
119.06865	2.3
120.04796	10.1
126.05507	36.4
127.03914	12.8
130.04987	15.4
130.08626	4.9
131.06386	22.9
132.04785	14.4
146.06015	1.8
147.05894	2.4
149.07437	100.0
152.07057	3.8
154.08633	4.5
156.06499	1.9
164.07076	30.6
175.05373	5.6
178.08618	2.2
178.79875	1.2
180.06558	25.4
185.73894	1.5
194.51138	1.2
198.07593	5.3
207.08502	4.2
216.08630	6.0
231.11623	10.9
233.06123	1.4
233.09599	2.4
250.10693	3.5
257.09488	2.8
261.09506	1.4
275.10669	3.9
293.11703	87.8
294.09689	15.3
294.12592	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2681
Annotation	9-Geranyl-alpha-terpineol
Peak:m/z	Relative Intensity
53.03942	2.4
55.01868	3.0
55.05512	25.6
57.03433	2.8
57.07071	11.3
59.04988	4.4
61.71314	1.1
64.14852	1.1
65.03928	1.6
66.04712	1.1
67.05504	32.3
69.03429	3.9
69.07066	59.4
69.73255	7.0
71.04978	3.6
71.08622	4.0
74.82075	1.0
75.08517	1.4
79.05489	18.4
81.03413	2.5
81.07054	100.0
83.04977	2.0
83.08611	21.1
85.06544	8.5
88.20904	1.0
91.05468	9.4
93.07041	31.7
95.04993	5.6
95.08607	98.7
97.06529	5.2
97.10172	11.2
99.08079	5.1
105.07024	13.2
107.04948	1.6
107.08595	37.7
109.06550	6.6
109.10155	47.4
110.32780	1.2
111.08077	9.2
111.11717	10.5
113.09639	1.3
117.06994	3.0
119.08585	11.7
121.10143	26.0
123.08087	2.5
123.11705	42.1
123.12598	2.0
125.09586	4.1
129.07002	1.8
131.08565	3.4
133.10118	7.2
135.08054	5.3
135.11696	15.3
137.09569	1.5
137.13258	31.9
139.11205	5.8
143.08531	2.4
145.10121	2.3
147.08109	2.4
147.11696	7.0
149.09602	2.0
149.13266	18.5
151.14789	3.4
153.12726	6.7
157.10135	2.0
159.11636	1.2
161.13261	5.0
163.14799	13.4
167.14291	2.4
175.14775	2.3
177.16388	7.3
179.17885	1.3
189.16351	3.8
191.17917	3.9
203.17955	4.8
205.19455	2.0
217.15916	2.1
217.19498	6.1
221.19029	1.2
235.20576	1.2
255.17206	1.4
273.18539	5.5
273.25784	9.2
291.10049	4.2
291.19623	9.4
291.22354	1.6
291.23160	1.8
291.26770	30.8
292.06372	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.268
Annotation	9-Geranyl-alpha-terpineol
Peak:m/z	Relative Intensity
53.03942	2.7
55.01867	1.4
55.05510	18.4
57.03425	2.2
57.07081	9.6
59.04991	1.8
67.05502	32.5
69.03420	2.5
69.07067	58.4
69.83549	1.2
70.53575	5.0
71.04991	9.3
71.08624	1.4
72.74934	1.3
79.05491	13.6
81.07053	100.0
81.75465	1.3
82.07384	1.4
83.05003	1.3
83.08620	18.9
85.06544	6.5
85.43228	1.6
91.05478	6.9
93.07038	25.6
95.04960	3.6
95.08606	92.9
95.94257	1.4
97.06527	17.9
97.10148	7.7
99.08097	5.0
105.07030	10.3
107.08591	32.4
109.02862	1.9
109.06502	4.0
109.10152	57.8
111.08083	7.4
111.11743	9.5
117.03440	1.5
119.08596	7.9
121.10142	18.5
123.08112	1.7
123.11699	31.2
125.09663	2.7
125.13292	1.9
127.11216	1.5
131.08585	1.5
133.10123	7.3
135.11693	17.1
137.13263	15.4
139.11206	5.0
143.08542	1.6
147.11705	6.2
149.13263	19.0
151.14801	10.3
153.11691	1.4
153.12709	8.3
156.14328	1.4
157.10117	1.7
161.02348	4.1
161.13251	5.4
163.03922	6.6
163.14818	11.9
165.12784	1.3
167.14272	1.9
173.02339	8.8
175.14810	3.4
177.16386	6.6
189.16402	4.1
191.17943	3.4
203.17978	5.8
205.19525	5.0
215.07011	14.3
217.19490	6.3
231.16975	1.3
235.20572	1.6
259.09628	2.1
270.31308	1.7
273.18564	2.0
273.25806	8.7
276.08005	1.5
291.09613	1.9
291.12366	4.8
291.19601	4.3
291.26807	40.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.1
55.01865	2.8
55.05510	25.8
56.21207	1.1
57.07066	3.2
59.04978	1.8
65.03925	2.3
65.71722	0.9
67.05502	46.8
68.56126	1.0
69.03408	2.3
69.07068	17.3
69.58641	8.3
71.04971	1.3
73.06512	1.2
79.05490	74.2
81.03398	1.9
81.07053	60.1
82.07399	1.1
83.04982	2.4
83.08615	10.9
85.06525	4.8
85.06977	1.1
87.84687	1.1
91.05477	32.6
93.07040	100.0
95.04958	10.7
95.08602	34.3
97.06522	4.7
97.10155	7.8
98.21542	1.9
99.08076	1.4
105.04518	2.4
105.07029	20.9
107.04935	4.4
107.08588	63.7
108.08871	1.3
109.06532	6.2
109.10134	16.0
111.08072	3.2
111.95955	1.1
115.07627	1.2
117.06998	8.8
119.08575	22.6
121.06501	5.1
121.10135	46.2
123.08051	4.6
123.11697	4.6
125.09630	3.7
129.07013	3.5
130.24196	1.4
131.08577	9.7
133.06519	2.1
133.10126	14.9
135.08067	3.6
135.11685	61.7
137.09633	2.3
143.08543	5.2
145.10120	10.1
147.08031	4.4
147.11697	11.8
149.09608	5.6
149.12045	2.3
149.13249	38.3
151.11272	1.3
157.10103	3.4
159.08011	1.1
159.11703	5.4
161.09628	2.6
161.12051	1.3
161.13220	8.1
163.11139	3.5
163.14833	11.7
165.12787	1.7
167.10707	1.5
171.11667	5.0
173.13297	2.6
175.11215	2.6
175.14786	6.1
177.12738	3.2
179.14355	1.3
185.13272	4.1
189.12825	2.8
199.14867	3.3
203.14224	2.2
207.13808	1.4
209.15366	3.0
213.16327	2.0
217.15881	2.3
217.19498	2.7
221.15335	2.3
231.17336	2.0
235.16969	2.5
241.19522	5.3
249.14799	1.6
249.18448	4.6
259.20563	8.3
264.06580	3.8
273.18597	6.6
274.04965	2.9
291.19562	23.2
291.23163	64.0
292.05963	6.4
292.23175	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	291.2681
Annotation	9-Geranyl-alpha-terpineol
Peak:m/z	Relative Intensity
51.29390	0.9
53.00305	1.1
53.03933	1.7
55.01865	1.7
55.05511	19.0
57.03423	1.9
57.06835	1.1
57.07074	12.1
59.04990	1.3
66.47860	0.9
67.05503	27.9
69.03420	2.6
69.07066	59.9
69.94831	3.3
69.95238	2.2
70.06577	1.0
71.04987	7.1
71.08614	4.2
73.02922	1.2
79.05494	15.5
81.03416	2.1
81.07054	85.8
82.07378	1.0
83.08615	17.8
85.06533	5.3
91.05469	7.8
93.07043	28.7
93.29574	0.9
95.04953	2.8
95.08604	100.0
97.06533	10.8
97.10168	8.0
99.08064	3.1
105.07021	13.4
107.08591	30.1
109.02894	2.3
109.06501	3.2
109.10154	53.0
111.08091	7.9
111.11713	7.6
117.07017	2.2
119.08554	9.5
121.10140	21.9
123.08058	2.2
123.11701	33.6
125.09623	2.9
125.13276	2.9
127.11154	3.1
131.08537	2.0
133.10100	5.5
135.08046	1.3
135.10712	1.4
135.11690	17.7
137.09526	1.3
137.13242	16.1
139.11211	5.4
140.98618	1.0
141.12701	1.6
143.78697	1.1
145.06401	1.1
145.10110	2.6
147.11670	6.4
149.13242	16.5
151.14812	6.3
153.12750	8.4
161.02379	1.3
161.13254	6.6
163.03940	2.9
163.14851	9.2
167.14325	1.7
173.02376	5.9
173.05963	2.1
175.14806	3.3
177.16400	7.1
179.14252	1.6
189.16409	3.5
191.17963	4.0
193.15785	1.7
203.08522	1.8
203.17975	3.3
205.19518	2.3
215.06967	7.5
217.19456	4.9
235.20552	1.9
248.08368	2.2
259.09781	1.2
260.08182	1.3
263.10614	1.4
273.11334	1.2
273.18655	2.1
273.25745	9.4
276.07901	1.3
283.83405	0.9
291.10132	7.5
291.13004	1.2
291.19604	4.0
291.26813	41.2
292.06049	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1954
Annotation	8-hydroxy-13Z-octadecene-9,11-diynoic acid
Peak:m/z	Relative Intensity
55.01855	17.8
55.05511	26.0
55.15277	5.2
60.20259	5.4
63.60473	5.8
67.05499	18.8
69.07067	11.9
71.01027	12.4
79.05495	48.7
81.07053	47.6
83.04955	7.8
83.08630	9.8
91.05465	26.5
93.07040	24.4
95.04952	22.8
95.08591	19.4
97.10158	12.5
105.07021	22.8
107.04946	6.8
107.08570	16.4
109.07695	5.7
111.45793	5.5
117.07013	23.5
119.08578	42.8
121.06490	21.9
121.10111	8.4
125.09596	12.2
129.06992	6.9
131.08594	11.0
133.10097	7.6
135.79918	5.5
143.08530	10.1
145.10092	19.5
147.08041	18.3
161.09682	6.5
163.11218	4.9
168.14661	5.8
184.09381	5.0
189.11284	4.9
193.93254	5.8
194.24387	5.4
213.12811	5.5
245.19124	7.7
255.17415	7.8
273.18527	35.8
291.19528	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2317
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
50.42923	0.7
53.03933	3.2
55.01859	3.4
55.05510	20.1
57.07059	2.1
57.68488	0.8
58.78878	0.7
59.04990	1.5
65.03937	2.2
67.05503	41.3
68.05816	0.9
69.03428	1.1
69.07066	18.5
69.88458	4.0
73.06540	1.7
77.03917	1.6
79.05492	70.9
81.03410	1.5
81.07055	55.2
83.04967	3.0
83.08620	11.0
85.06538	2.8
91.04910	1.3
91.05479	30.6
93.07042	100.0
94.07380	1.1
95.04977	8.9
95.08602	37.3
97.06538	3.2
97.10176	7.5
98.20859	1.5
103.05543	0.9
105.03408	0.9
105.04500	1.8
105.07027	20.7
107.04961	4.4
107.08591	59.7
108.08946	1.2
109.06502	5.1
109.10150	14.3
111.08073	1.5
111.11716	0.9
115.05428	1.6
115.07578	1.3
115.65078	1.0
117.07003	7.6
118.22505	0.7
119.08577	22.0
121.06496	3.7
121.10142	43.4
122.10511	0.9
123.08072	3.4
123.11699	3.6
125.09634	3.2
129.07013	3.8
129.09065	0.9
131.08571	8.8
133.06441	1.6
133.10130	12.8
135.08116	4.6
135.11693	52.2
136.11949	1.0
137.09636	1.9
137.13298	1.0
139.11150	1.0
143.08556	3.6
145.10115	8.4
147.08005	3.8
147.11685	10.6
149.09613	5.1
149.13258	33.3
151.07541	1.0
151.11176	1.9
157.10106	2.8
159.08217	0.7
159.11674	5.9
161.09624	2.9
161.10999	0.7
161.13257	8.5
163.11172	5.1
163.14819	9.7
165.12743	1.3
171.11684	3.5
173.13292	3.0
175.11234	2.4
175.14767	5.5
177.12782	3.0
177.16403	1.5
185.13237	4.4
189.12704	1.7
195.13815	1.8
199.14835	1.8
203.14294	1.9
207.13742	1.8
209.15381	2.5
213.16360	2.8
217.15979	1.5
217.19501	1.3
221.15305	1.0
231.17493	1.9
233.15349	1.1
235.16936	2.8
237.16367	0.8
241.19499	5.1
249.18510	2.8
254.42638	0.8
255.17421	1.1
259.20572	9.9
261.38623	0.8
264.06537	1.3
273.18500	5.5
274.04999	1.5
291.19574	12.8
291.23166	54.3
292.06094	4.9
292.20013	0.8
292.23529	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1952
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
51.17670	1.9
53.03931	7.7
55.01873	12.6
55.05515	27.5
67.05505	23.3
69.03416	5.6
69.07064	11.6
79.05493	60.7
81.03407	4.7
81.07055	72.8
83.04989	4.7
83.08616	13.5
85.06502	2.9
91.05479	34.5
92.78963	2.0
93.07035	25.3
95.04953	20.0
95.08598	15.7
97.10181	12.2
98.21554	4.2
101.02959	1.9
103.05431	2.3
105.03406	4.7
105.07029	28.4
107.04952	17.2
107.08595	17.5
109.06522	8.4
109.10136	7.0
115.05425	4.1
116.06239	2.3
117.07014	26.9
119.04992	5.2
119.08576	53.1
121.06507	26.0
121.10155	11.1
123.08054	5.1
125.09615	14.7
128.06282	2.4
129.07014	11.1
130.80733	2.1
131.08548	18.6
133.06476	10.0
133.10107	7.8
135.08029	12.5
135.11697	3.2
137.09630	3.3
143.08536	9.6
145.06403	3.8
145.10112	25.7
147.08044	25.9
147.11665	4.4
149.09583	12.2
153.09132	2.3
157.10117	9.7
159.08037	4.5
159.11705	6.9
161.09613	6.6
163.11205	6.6
169.10181	2.2
171.11653	5.2
175.11147	3.6
185.09608	3.4
185.13254	5.4
189.11179	10.4
192.80269	2.5
199.11163	3.4
223.13252	5.2
227.17847	4.5
249.14856	18.9
255.17366	7.4
273.18488	49.3
291.19528	100.0
292.05978	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	291.1952
Annotation	Methyl [6]-Shogaol
Peak:m/z	Relative Intensity
55.05503	4.2
57.07065	2.8
63.89986	1.2
66.86418	1.2
67.05493	6.1
69.07066	2.5
71.04998	3.4
72.92378	1.4
79.05493	6.3
81.07048	7.9
83.04955	1.7
83.08611	3.0
85.06526	2.5
85.49274	1.4
91.05471	5.6
93.07051	9.9
93.07557	1.6
95.04975	3.8
95.08608	13.7
97.06526	1.6
97.27484	1.4
98.21545	3.3
105.06996	7.8
107.04940	3.7
107.08580	6.1
109.06520	7.6
109.10152	2.1
110.05382	1.3
111.08083	23.8
117.07042	2.4
119.08594	9.2
121.06558	2.1
121.10157	4.5
122.07250	1.5
123.08072	32.6
130.07739	2.0
131.08569	6.8
133.06508	4.0
133.10165	6.9
135.08095	6.5
135.11720	3.3
137.09653	1.7
143.08577	1.7
144.09341	1.8
145.10132	12.2
147.08066	2.7
147.11696	5.1
149.09624	6.3
151.07542	100.0
152.08025	1.6
156.09377	2.0
157.10130	3.7
159.11687	3.2
161.09628	3.3
161.13246	2.5
163.11195	4.1
165.22401	1.5
173.13278	4.5
174.10413	1.8
175.11195	5.5
177.09145	2.0
177.12756	1.6
179.10690	5.4
181.12161	1.6
187.11197	1.6
189.12743	25.5
191.14343	4.5
192.11456	5.5
197.11690	11.3
197.13214	1.7
207.13802	66.5
215.14305	3.9
217.12257	2.5
231.17357	1.9
233.15334	11.9
235.13174	2.7
255.17261	2.1
273.18607	6.2
278.92023	1.4
291.19562	36.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1951
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
55.01864	2.3
55.05509	12.8
57.03425	2.4
57.07067	3.1
59.04988	2.9
67.05487	9.3
69.03416	2.7
69.07063	3.8
71.04984	3.3
71.12730	3.1
79.05492	16.1
81.03414	1.7
81.06681	1.2
81.07056	17.0
83.04973	4.5
83.08625	10.5
85.02896	1.4
85.06503	2.7
89.25925	1.3
91.05486	10.5
93.07040	17.9
95.04961	7.2
95.08615	18.2
97.06523	4.4
100.83941	1.6
105.07023	12.8
107.04947	15.1
107.08609	12.1
109.06501	10.3
109.10133	3.3
111.08072	40.8
113.09615	1.6
115.20850	1.5
117.06982	4.1
119.08571	15.2
121.06499	6.6
121.10140	7.8
123.08054	34.0
125.09574	2.6
129.06989	2.0
131.07729	1.4
131.08553	8.3
133.06502	3.8
133.10133	8.9
135.08073	8.8
135.11633	3.3
137.09586	3.1
142.07753	1.4
143.08546	3.6
145.10085	7.0
147.08017	4.6
147.11684	4.9
149.09608	7.8
151.07530	100.0
152.07864	1.9
155.10628	1.9
156.09308	1.9
157.10124	4.1
159.08046	3.6
159.11670	2.1
161.09601	4.5
163.11168	4.4
165.85747	1.6
167.10753	1.5
171.11661	3.6
173.09518	1.7
173.13293	7.9
174.10387	1.7
175.11151	5.7
177.09048	2.9
179.10661	3.6
181.10016	1.6
181.12373	1.3
182.10896	1.8
189.11125	2.0
189.12735	29.0
191.10703	2.1
191.14268	14.7
192.11427	4.2
197.11671	12.5
197.13118	1.5
205.12315	1.6
207.13785	61.2
215.14276	4.9
217.12257	5.1
226.98122	1.5
233.15356	32.8
235.13228	1.5
249.18533	2.2
255.17570	3.6
273.18463	13.6
291.19510	55.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1954
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
51.04844	1.9
53.03930	6.0
55.01857	11.7
55.05281	2.1
55.05512	25.9
56.25308	2.3
57.03423	2.3
57.07068	2.0
65.03914	2.4
67.05501	26.0
69.03422	5.7
69.07075	13.9
70.33925	1.8
71.04981	3.8
71.35789	3.9
75.92178	2.2
79.05071	3.4
79.05491	43.4
81.03397	3.0
81.07054	52.1
83.04964	7.0
83.08617	12.2
86.90759	2.0
91.05478	28.1
93.07040	30.5
95.04972	20.0
95.08598	18.4
97.10154	9.8
97.65591	2.0
99.46628	2.2
105.03349	2.8
105.07033	24.8
106.62473	2.2
107.04934	15.7
107.08579	15.6
109.06506	7.2
109.10139	7.7
111.08082	2.3
115.05428	4.7
117.07026	25.7
119.04955	2.5
119.08582	37.8
121.06501	17.9
121.10139	7.9
123.08026	6.0
125.09612	9.5
129.06992	8.4
131.08536	16.7
131.79031	2.2
132.26863	2.5
133.06490	8.2
133.10072	10.4
135.08041	11.8
135.11703	4.8
143.08556	7.5
145.06512	2.3
145.10097	19.4
147.08040	20.8
147.11703	4.5
149.09619	11.0
151.07567	3.7
157.10101	8.4
159.08047	4.1
159.11674	6.9
161.09593	14.0
163.11165	7.6
169.77051	2.2
171.11649	7.0
173.09605	2.9
173.13242	2.2
175.11133	3.5
180.92058	2.1
185.09619	3.5
185.13188	4.2
187.11200	2.2
189.11220	4.5
189.12756	3.0
193.12196	5.2
199.11171	3.8
201.76082	2.2
217.12363	4.4
223.13330	5.1
227.17978	4.6
245.18918	4.7
249.14830	10.6
255.17418	6.7
265.88153	2.4
273.18454	45.1
291.19531	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1951
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03934	5.6
55.01873	19.9
55.05281	3.8
55.05513	49.1
57.03421	3.4
59.04980	2.4
62.64883	2.4
65.03938	4.2
67.05503	35.5
69.03422	5.8
69.07062	12.2
69.45286	9.1
69.45713	9.7
71.04973	4.7
79.05490	67.1
81.03407	5.2
81.07053	74.6
83.04987	12.0
83.08625	20.4
85.06534	3.9
91.05484	60.1
93.07047	34.4
95.04981	22.4
95.08601	18.8
97.06532	4.6
97.10156	22.1
99.28169	2.5
103.05457	3.3
105.03381	6.1
105.07036	32.2
107.04942	16.0
107.08614	20.9
109.06512	9.7
109.10139	14.8
111.08057	6.1
115.05447	4.5
116.06242	2.6
117.07011	35.0
119.04964	3.3
119.08577	69.8
121.06493	17.9
121.10148	14.9
123.08067	9.6
125.09636	23.4
128.06232	7.9
129.07011	11.8
131.08546	30.6
132.05736	3.4
133.06470	11.9
133.10110	8.2
135.08043	18.1
135.11699	4.3
137.09567	4.7
143.08571	16.6
145.06459	2.8
145.10112	31.9
147.06941	4.6
147.08029	46.4
147.11664	4.8
149.09586	12.9
151.07504	8.1
155.08542	3.6
157.06487	3.3
157.10138	14.1
159.08014	6.3
159.11678	9.3
161.09612	12.8
163.11180	8.0
171.11684	8.8
173.13269	3.9
175.11179	3.9
185.13304	5.8
189.11220	9.4
189.12663	4.4
203.14307	4.0
207.13783	8.1
223.13377	4.5
227.17976	4.3
237.16353	2.7
245.19023	3.7
249.14771	13.1
255.17334	11.8
273.18488	78.2
291.19537	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1952
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03933	3.6
55.01869	20.3
55.05508	15.6
56.05024	2.3
57.03433	17.2
57.07059	2.4
57.13794	1.1
63.67706	1.0
65.03937	1.7
67.05504	31.4
69.03427	2.4
69.07069	6.6
69.86202	6.4
71.04979	1.5
72.16637	1.0
72.54913	1.0
74.06056	1.3
77.03930	1.8
77.04372	1.0
79.05489	41.1
81.03423	1.8
81.07053	23.5
83.04949	1.4
83.08610	4.9
85.06534	4.4
88.07638	6.1
89.07935	2.2
91.05478	31.8
93.06491	2.2
93.07039	26.0
95.04372	2.0
95.04964	23.5
95.08615	10.0
97.06519	2.9
97.10164	3.3
103.05457	1.8
105.07020	20.3
107.04942	12.1
107.08595	26.6
109.06514	64.7
109.10150	3.2
111.08057	2.0
115.05446	4.6
116.06221	1.5
117.07021	15.3
119.06036	1.8
119.08558	12.4
121.06497	8.0
121.10133	5.4
123.08049	4.4
125.09630	1.9
128.06235	2.3
129.06999	9.9
130.07739	1.9
131.08560	14.5
133.06490	3.7
133.10130	4.8
135.08049	100.0
135.11708	5.5
136.33061	1.1
137.09596	1.4
143.08540	5.7
145.06503	1.4
145.10121	12.7
147.08020	7.8
147.11682	2.9
149.09630	11.0
149.13214	1.7
157.10118	6.5
159.08029	2.9
159.11661	6.6
161.09590	7.2
163.11151	3.0
169.10136	1.6
171.11676	3.1
173.13264	2.2
175.11197	3.0
177.12805	2.3
181.10159	1.2
183.11714	2.0
185.13240	1.2
189.12616	1.4
195.11734	1.9
199.14815	5.0
201.12741	1.6
217.15865	19.0
219.13647	1.1
236.82082	1.0
237.16440	1.2
243.25128	8.4
245.19064	3.1
249.14929	1.4
255.17400	4.7
273.18457	31.4
291.19537	46.4
291.27173	20.9
292.20020	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.195
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
53.03937	0.5
55.01859	1.7
55.05245	0.4
55.05507	8.5
57.03424	0.7
67.05501	5.1
69.03412	1.2
69.07067	2.8
69.94557	1.9
71.04977	0.7
79.05486	7.5
81.03408	1.0
81.07049	6.1
83.04968	0.9
83.08616	3.0
91.05475	6.9
93.07037	5.8
95.04958	3.0
95.08598	2.2
97.06510	0.5
97.10159	3.3
98.21509	0.4
103.05431	0.5
104.75732	0.3
105.07007	5.8
107.04919	2.3
107.08601	3.8
108.05695	0.4
109.06499	0.9
109.10136	0.9
115.05471	0.4
116.06239	0.6
117.07002	2.8
119.04960	1.8
119.08569	5.2
120.05752	0.7
121.06481	2.5
121.10113	1.4
123.08027	0.9
124.87925	0.4
125.09596	2.1
129.07008	2.3
130.07809	0.4
131.08554	2.7
133.06490	3.5
133.10123	1.2
134.07240	0.9
135.08029	1.3
143.08560	1.4
145.10085	3.5
147.08018	4.9
147.11659	0.4
149.09579	1.1
157.10109	0.7
159.11656	0.8
161.09605	1.1
162.10416	1.4
163.11182	1.3
165.09102	0.6
175.11160	0.6
223.13312	1.2
227.17868	0.4
245.18962	0.5
249.14848	1.1
262.15442	0.4
273.18445	4.3
280.18402	0.4
291.19516	100.0
292.19849	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1952
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
52.78717	1.0
53.03933	4.7
55.01873	12.7
55.05506	28.2
57.03412	1.5
57.07077	1.7
65.03944	1.6
67.05502	28.2
69.03423	6.6
69.07067	12.8
69.17976	2.7
69.18394	9.2
71.04978	3.9
73.54968	1.0
79.05491	62.4
81.03413	5.3
81.07051	70.2
83.04982	5.4
83.08623	13.8
85.06542	2.0
91.05482	38.5
93.07046	33.5
95.04964	25.4
95.08601	21.2
97.06509	4.2
97.10169	13.5
99.08091	1.5
100.60547	1.1
100.65770	1.1
103.05456	2.8
105.03391	4.6
105.04481	1.4
105.07023	27.1
107.04948	17.4
107.08598	17.1
109.06499	7.1
109.10130	8.6
111.04451	1.8
111.08044	4.5
115.05453	4.3
116.06229	2.1
117.07011	33.9
119.04932	4.3
119.08573	60.2
121.06499	23.4
121.10131	14.2
123.04419	1.4
123.08058	6.0
123.11630	1.3
125.09624	15.0
128.06253	3.2
129.07010	11.9
130.07762	2.5
131.08551	20.5
133.06488	7.7
133.10124	7.8
135.08060	13.2
135.11673	3.7
137.09615	3.8
139.44533	1.3
142.07756	1.4
143.08557	8.9
144.09377	1.6
145.06479	3.3
145.10115	27.9
147.08038	34.1
147.11652	3.4
149.09631	9.9
149.13281	1.8
151.07570	2.3
153.09071	2.0
157.06490	1.6
157.10101	9.6
159.08061	3.4
159.11679	8.3
161.09634	11.7
161.13260	2.1
163.11182	9.9
165.09138	3.6
167.08548	1.3
169.10168	1.9
171.11699	5.6
173.09665	2.8
173.13258	1.8
175.11176	3.5
181.10063	1.7
185.13258	4.9
187.11145	2.0
189.11169	6.8
189.12686	2.0
195.11638	2.4
199.11156	3.0
203.14397	1.9
213.12688	2.7
221.11642	1.4
223.13219	7.2
227.17848	3.6
231.13812	2.4
231.17465	1.4
237.16376	1.6
245.19028	4.5
249.14848	19.5
249.18707	1.5
255.17323	6.9
273.18491	51.1
291.19525	100.0
292.06061	3.4
292.19806	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1952
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03944	4.7
55.01869	6.3
55.05509	12.6
57.03426	2.6
65.03939	2.1
67.05499	18.7
69.03426	2.3
69.07066	6.2
69.79480	4.8
71.04981	3.0
77.03902	0.8
79.05489	44.3
81.03410	5.2
81.07050	100.0
83.04976	4.3
83.08600	5.5
85.06549	1.6
91.05473	21.8
93.07037	19.0
95.01289	0.9
95.04966	15.7
95.08576	7.5
97.06507	3.0
97.10169	4.3
105.03339	1.7
105.07012	13.7
107.04957	10.2
107.08589	8.5
109.06509	91.5
109.10148	2.4
111.08041	1.2
112.84406	0.8
115.05433	2.1
117.07008	10.8
119.05020	0.9
119.08575	17.5
121.06485	6.6
121.10152	4.8
123.08057	4.7
125.09625	3.6
127.07557	0.9
128.06235	2.0
129.06972	6.1
130.07753	1.6
131.08565	7.5
133.06465	3.5
133.10121	4.9
135.04456	1.1
135.08046	12.2
135.11684	1.5
137.09634	1.3
143.08563	4.8
145.10106	12.1
147.08041	9.6
147.11719	1.9
149.09630	8.1
155.08522	1.8
157.10115	2.5
159.08038	1.6
159.11716	2.9
161.09616	9.9
161.13159	0.9
163.11162	5.5
169.10345	0.8
171.11674	2.5
173.09477	1.2
175.11180	1.3
185.13257	1.9
189.11185	1.6
189.12833	1.1
191.10608	1.4
217.15912	1.8
223.13235	1.4
227.17973	1.5
237.16330	1.0
245.18999	3.6
249.14867	2.4
255.17451	1.9
273.18460	16.4
291.19534	28.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1954
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03940	3.2
53.09670	1.3
55.01880	12.8
55.05515	19.0
57.03431	3.0
58.23138	1.3
62.89430	1.2
65.03934	2.9
67.05504	31.2
69.03428	2.8
69.07076	13.4
70.90739	1.9
70.91070	2.0
71.04980	3.8
72.00211	1.1
74.11289	1.2
79.05495	40.3
81.03418	4.2
81.07058	60.4
81.07536	2.9
83.04984	5.4
83.08623	11.5
85.02902	1.8
91.05479	25.7
93.07048	22.2
95.04967	25.5
95.08617	14.0
97.06528	5.0
97.10165	11.7
103.05444	1.4
105.03423	1.9
105.07033	18.8
107.04955	11.1
107.08598	17.9
109.06516	8.2
109.10139	8.3
111.08071	3.2
115.05467	1.8
117.07031	15.1
119.04964	2.4
119.08580	29.7
121.06499	13.3
121.10186	8.1
123.08070	18.5
125.09617	10.2
128.06233	1.7
129.06981	7.1
131.08566	14.9
133.06479	5.8
133.10152	7.8
135.08083	10.9
135.11710	5.0
137.09610	6.0
143.08537	7.5
145.10130	16.7
147.08038	19.5
147.11684	3.6
149.09628	7.9
149.76735	1.5
153.09068	4.5
157.10210	6.3
159.08038	2.1
159.11691	6.2
161.09601	9.2
161.13141	1.6
163.11206	15.7
165.09068	6.1
171.10265	1.4
171.11699	4.4
175.11212	4.6
185.09595	1.7
185.13249	3.8
189.11198	5.5
193.12285	4.3
193.86894	1.3
195.11790	1.5
199.11385	1.5
203.14233	1.5
223.13280	8.2
224.31902	1.4
227.17877	3.9
245.18973	3.2
249.12569	1.9
249.14844	10.3
255.17532	4.0
273.18509	35.1
291.19550	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1952
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
52.20609	4.4
53.03934	9.9
55.01862	12.8
55.05511	58.1
57.03419	10.2
61.67064	3.4
64.86369	3.7
67.05494	57.2
69.03426	10.6
69.07068	27.7
70.62901	6.4
70.63237	5.2
71.05003	9.8
79.05489	84.0
81.03397	4.0
81.07052	100.0
83.04975	11.5
83.08608	21.4
83.28882	3.7
85.06564	5.5
91.05473	86.7
93.07033	65.1
95.04924	19.0
95.08606	43.1
97.06538	7.6
97.10170	17.4
99.08019	4.6
102.84973	3.3
105.07023	73.3
107.04964	18.8
107.08591	36.7
109.06476	18.5
109.10130	11.5
111.08089	9.8
114.10379	3.4
115.05469	5.0
116.06238	3.7
117.07007	58.1
119.08577	62.9
121.06499	23.8
121.10152	25.2
122.98904	3.4
123.08064	13.5
125.09647	12.1
128.06232	10.9
129.07005	23.2
130.07767	5.2
131.08559	69.1
133.06487	15.8
133.10106	15.6
135.08043	22.0
135.11676	10.3
136.07291	3.9
137.09592	8.5
139.11208	6.7
141.06953	5.8
142.07867	3.6
143.08553	41.9
145.10109	71.3
147.08040	25.1
147.11684	8.4
149.09622	14.7
149.13292	4.0
151.07529	12.8
155.08560	5.3
157.10120	23.8
159.08067	5.3
159.11636	19.5
161.09628	16.1
163.11166	12.4
169.10110	10.8
171.11679	10.7
173.13330	6.2
175.11145	8.3
181.10110	5.4
181.46117	3.9
183.11719	4.5
185.13277	5.7
189.12830	5.1
195.11632	9.4
201.12685	3.3
207.13834	7.3
209.13243	3.9
217.16075	5.0
223.13330	3.4
227.17986	8.5
237.16463	10.0
245.19005	9.6
249.14845	8.8
255.17401	9.7
273.18460	68.8
290.93341	3.7
291.19525	87.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1225
Annotation	Wentilactone B
Peak:m/z	Relative Intensity
53.03954	3.4
55.01870	12.9
55.99943	3.4
57.03431	4.0
69.03404	4.2
69.46249	25.0
70.06593	3.3
73.02901	5.5
79.05489	5.1
81.03410	41.3
81.45138	3.5
83.04964	3.7
85.02906	32.5
91.05460	17.4
95.04967	8.2
97.02899	13.6
103.05464	10.7
105.07020	9.5
107.04942	3.3
108.04496	6.1
109.02874	7.5
111.04436	42.9
115.05445	18.6
117.07011	21.3
121.06516	5.4
123.08073	3.9
124.03918	8.6
128.06235	10.8
129.07007	20.0
131.04942	19.5
131.08609	6.7
133.06529	11.7
137.05971	16.9
139.05385	3.6
141.07013	20.2
143.04965	5.1
143.08542	9.6
145.06493	26.1
146.07236	6.4
147.04454	4.7
147.08064	5.7
149.05991	19.3
151.07545	97.7
152.06232	8.8
153.07051	4.5
157.06461	20.2
158.07271	6.7
159.08015	6.3
160.05176	21.7
161.05997	17.9
161.09592	5.0
163.07507	11.8
165.05586	4.1
165.07011	7.0
165.09059	6.6
167.04872	4.9
167.08572	22.7
169.06487	13.9
171.08032	17.3
173.05959	7.0
174.06699	17.0
175.07559	100.0
177.05484	13.0
177.09125	26.7
180.06554	3.7
181.06395	4.2
183.08138	4.9
184.05225	6.0
185.06021	9.6
185.09630	7.9
186.06752	5.3
187.07535	18.3
188.08339	7.3
189.05499	6.7
189.09126	20.8
191.07066	14.9
191.10710	5.8
193.08607	27.9
195.08060	23.7
195.10127	6.6
197.06006	12.6
199.07518	13.8
201.05267	4.8
201.09099	22.9
202.07906	4.0
203.07031	10.6
203.08615	10.2
203.10704	9.3
205.08624	11.9
209.08029	4.3
212.08328	7.3
213.05495	6.2
213.09109	11.1
215.06941	6.2
215.10646	5.4
217.08585	16.4
219.07964	4.7
219.10182	5.1
223.07486	10.8
224.05487	16.1
227.07053	7.1
227.10641	7.9
229.08559	27.0
231.08069	11.7
231.10207	13.5
240.05133	8.6
240.07712	4.5
241.08621	11.8
245.08051	25.0
245.11798	7.7
247.09793	7.9
248.08443	10.6
255.10289	12.9
259.07458	6.7
261.11237	5.8
263.10583	6.7
273.11118	29.9
276.07742	5.0
291.09967	20.5
291.12704	56.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.1
55.01863	3.4
55.05510	7.0
57.03439	5.5
57.07077	2.1
59.04984	1.0
61.02925	3.9
67.05503	8.1
68.98419	1.0
69.03417	1.8
69.07070	38.7
69.63335	5.8
71.04992	2.3
79.05494	15.6
81.07056	17.8
83.08627	2.4
85.06537	3.1
87.08115	2.1
89.03923	5.2
91.05485	3.0
93.07060	4.4
95.04984	2.2
95.08603	14.8
97.06532	87.7
97.10196	1.5
98.21576	1.6
99.08130	0.8
105.07049	2.1
107.04975	2.0
107.08603	5.5
109.02888	1.5
109.10161	10.0
111.08093	5.4
111.11732	0.9
117.03391	7.4
117.07018	1.0
119.08585	1.6
121.10161	3.5
123.11707	6.8
125.09642	1.1
129.09126	3.1
131.08644	1.3
133.02821	6.8
133.06473	1.0
133.10104	1.8
135.04401	10.5
135.11702	2.7
137.13275	2.9
139.11232	1.0
141.06978	1.1
145.02867	7.1
147.04382	1.5
147.11771	0.9
149.13263	2.8
153.12791	1.0
155.97095	0.8
157.06476	0.9
159.04414	9.8
159.08093	0.9
161.00978	1.1
161.02344	31.9
163.03906	56.4
163.14839	1.3
170.21693	0.8
173.02347	73.3
177.16336	1.5
185.05966	3.6
186.03232	1.8
187.03851	1.1
187.07568	1.1
189.09312	1.0
191.03375	2.4
197.05962	1.2
204.26822	0.8
207.24783	0.9
213.09177	1.2
215.07030	100.0
216.07416	1.9
233.08139	2.6
241.08571	9.2
248.08620	0.8
259.07309	1.4
259.09671	7.9
260.08313	0.9
273.11182	1.0
273.18344	1.1
273.25784	2.4
291.09763	2.4
291.12622	5.8
291.19449	1.9
291.26785	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	291.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47344	1.6
55.01870	1.5
56.96301	1.9
56.96564	28.8
57.03409	1.5
60.61449	1.3
69.03406	3.7
70.26704	2.7
70.27106	2.5
72.08141	2.7
73.02914	2.6
73.54268	1.2
73.87557	1.2
81.03387	2.3
82.99851	2.3
84.08138	1.7
84.96021	6.5
85.02910	8.1
97.02905	6.8
98.97581	16.5
101.00877	26.4
103.00635	3.4
103.02443	2.5
109.02898	1.8
113.00867	5.4
115.02403	2.6
116.98612	9.8
117.02179	1.9
117.03978	1.9
119.01926	88.5
120.02004	2.9
121.01656	12.9
124.99111	4.1
127.02323	2.0
127.03889	1.8
128.98595	3.3
131.01913	34.0
133.01663	2.6
133.03455	9.1
134.99638	5.1
135.03200	3.7
137.02962	23.3
137.05948	5.1
139.02625	4.8
141.02141	1.5
142.03510	2.6
143.00185	11.6
143.01877	22.2
144.98108	1.6
145.01672	3.1
145.03465	10.3
146.99654	1.9
147.01376	2.3
147.05026	4.5
149.01187	2.8
149.02974	8.3
151.02718	1.4
151.04456	3.2
155.01898	11.4
156.02742	1.6
157.03456	7.3
158.99706	3.0
159.01328	1.9
159.03238	2.4
159.05014	3.7
161.01250	14.0
161.02960	100.0
161.89046	1.4
162.03070	3.2
163.02744	6.1
163.04518	2.9
165.06081	3.7
167.01924	1.7
169.01753	1.9
169.03543	1.4
170.99663	6.5
171.01450	2.3
171.05028	3.4
173.01407	2.2
173.02966	37.2
174.99216	1.8
175.00890	2.7
175.02916	2.2
175.04523	8.2
177.00713	4.9
179.02287	3.3
179.04028	4.0
181.03616	1.4
183.05038	1.4
184.04541	4.0
185.01326	2.9
185.02925	16.6
185.06541	2.3
187.00873	4.3
187.02768	2.2
187.04588	3.0
189.00702	8.9
189.02444	7.6
189.04330	2.3
189.06073	12.5
191.02411	3.0
191.04022	14.7
193.03874	2.2
195.04904	2.6
197.02989	3.0
199.00903	1.7
201.00775	2.2
201.06075	9.5
203.02194	4.4
203.04015	18.4
203.07622	2.7
205.00221	3.6
205.01938	3.7
207.01732	2.5
213.00787	3.8
213.06165	3.2
217.00130	1.9
217.02057	9.2
219.01756	6.3
219.07097	7.5
221.03226	2.5
221.05103	6.6
223.01280	3.3
225.06151	1.8
231.01723	4.4
231.07230	3.0
233.01456	2.8
235.02995	5.1
235.84285	1.5
237.02890	3.3
245.05119	6.6
246.05165	1.7
247.03017	8.6
248.99359	7.2
249.02711	7.9
263.06024	1.5
265.03836	6.7
267.00143	3.2
267.03891	5.9
277.04083	14.5
285.04782	2.3
291.03879	5.5
291.09274	75.6
292.09387	3.0
309.04880	8.9
309.08258	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.175
Annotation	Mesembrine
Peak:m/z	Relative Intensity
54.25534	0.3
55.05510	1.7
56.05037	2.1
56.35157	0.3
56.96568	0.6
57.07078	1.6
58.06593	1.0
60.04510	0.4
65.03940	1.4
67.05505	8.8
68.23440	0.3
69.07065	4.8
70.06612	0.5
71.04983	0.3
71.08613	0.8
71.51853	0.5
74.06072	2.6
79.05492	2.6
81.07043	3.3
81.08434	0.3
82.06573	2.4
83.05010	0.5
83.08607	0.5
85.10189	0.4
88.07634	9.0
91.05475	1.4
93.03389	1.2
93.07043	4.1
95.04990	0.7
95.08599	1.3
97.06527	2.5
97.10191	0.5
99.99214	0.3
103.05453	0.4
105.07047	1.1
107.04961	0.5
107.08610	3.0
109.06511	0.9
109.10145	1.1
110.06039	24.8
111.04441	11.3
117.07001	0.9
118.08649	1.5
119.08572	1.4
122.08134	1.3
123.04446	2.2
130.74524	0.3
131.04933	0.5
131.08595	0.5
133.10107	0.6
135.11688	3.5
137.06003	0.4
138.05498	100.0
139.05836	0.9
145.06471	0.9
145.10049	0.5
147.08083	0.6
149.05971	0.5
153.12709	0.5
161.06012	0.5
163.03964	0.5
163.07541	1.6
168.13873	0.5
175.07510	0.7
177.09082	0.7
178.09425	0.5
198.49228	0.4
226.11232	1.8
228.23276	0.4
242.24797	9.1
244.12216	1.3
245.51588	0.3
262.08691	0.8
272.25793	0.5
273.14767	0.6
273.18420	1.1
290.08173	1.6
290.17633	5.4
290.26880	24.6
291.19684	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.8
55.01875	2.8
55.05497	4.0
56.05026	4.7
56.96566	100.0
57.03434	3.9
61.02931	5.2
67.05486	6.0
69.03415	11.3
70.06590	5.8
70.21750	9.2
73.02897	3.2
79.05480	9.8
81.01423	2.6
81.03415	7.1
81.07041	6.0
83.04974	5.8
84.04489	2.4
84.08139	9.1
84.96027	14.9
85.02897	17.3
86.09686	2.8
90.04295	2.2
91.05469	6.9
93.07028	5.8
95.04956	4.2
95.06090	9.5
95.08638	2.8
96.06395	5.8
97.02879	18.7
98.97587	97.0
102.97071	2.8
105.07015	2.6
107.04948	8.1
107.08627	4.2
109.02906	3.3
110.97563	11.6
111.04363	2.6
111.08105	3.4
116.97839	4.8
116.98620	74.3
117.03382	3.0
119.01910	13.7
119.90804	2.3
121.01636	4.0
121.06579	3.0
121.10159	3.1
123.04443	4.4
124.99131	7.2
125.05965	2.4
127.03891	5.1
128.98582	15.4
129.05484	4.6
131.01895	6.2
133.01723	3.3
134.99669	45.6
135.04391	8.1
135.11642	4.5
137.02953	4.4
137.05945	10.5
138.82634	2.8
143.00169	35.2
143.01865	6.4
145.01759	4.3
145.03531	3.8
146.99635	18.1
147.03325	4.3
147.04437	8.8
149.01088	3.2
153.00674	3.7
157.01779	3.6
157.03418	3.8
158.99670	26.0
159.03287	3.5
161.01213	55.1
161.02930	13.5
162.03062	3.2
162.99133	11.4
163.02699	4.7
163.03917	21.9
165.00729	4.3
165.04298	4.9
170.99649	12.4
173.01338	3.1
173.02977	5.6
174.99089	5.1
177.00717	53.9
179.02295	10.4
184.02905	2.9
185.01256	9.8
185.02855	3.9
186.99196	5.0
187.02779	5.8
189.00771	25.7
189.02422	4.8
189.04347	11.0
189.05995	3.7
193.00169	8.0
195.01741	6.7
196.09650	3.2
197.10051	3.9
200.02242	4.7
201.00687	7.1
203.02258	10.1
203.03979	3.4
205.00183	9.6
207.01810	7.3
207.05269	3.1
209.03036	3.0
213.00688	10.3
217.05431	3.9
219.01767	12.8
221.03210	5.4
221.05107	5.1
223.01254	11.7
231.01810	10.6
237.02798	32.8
239.05887	2.6
243.26328	2.8
248.99117	6.0
249.02724	19.8
264.06674	2.6
267.00302	5.9
267.03766	14.4
273.02673	4.8
273.08194	9.5
285.05087	4.9
291.03860	18.0
291.08267	15.7
291.15225	15.2
291.19772	3.9
291.23050	4.6
292.06125	4.8
309.04889	20.9
309.08511	32.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2525
Annotation	(E,E,E,E)-3,7,11,15-Tetramethyl-2,6,10,13,15-hexadecapentaen-1-ol
Peak:m/z	Relative Intensity
53.03942	2.5
54.97420	2.3
55.01847	3.2
55.05507	26.6
57.07063	9.3
67.05500	27.5
69.03423	3.0
69.07066	60.3
70.66915	4.5
70.67285	4.6
71.04987	4.3
75.17569	2.5
79.05497	18.5
81.07054	100.0
83.08618	19.9
85.06528	9.2
91.05461	13.6
93.07037	47.5
95.04940	3.9
95.08603	74.7
97.06525	8.1
97.10146	7.0
98.83371	2.3
99.08084	4.0
99.97105	2.3
105.07027	41.2
107.08588	59.7
109.06499	5.0
109.09480	3.3
109.10159	42.0
111.08067	12.4
111.11706	8.7
117.07017	4.0
119.08585	30.5
121.10136	54.9
123.08060	4.1
123.11698	64.2
125.09634	4.5
131.08549	10.3
133.10135	20.8
135.11690	34.6
137.05965	2.7
137.09601	7.8
137.13235	14.4
139.11182	7.4
145.10124	10.1
147.11674	25.7
149.13246	22.7
151.03963	3.4
151.11183	8.8
151.14844	2.6
159.11671	13.3
161.13281	17.5
163.14825	17.3
165.12733	11.1
165.30113	2.1
167.14282	2.2
173.13240	14.4
175.14821	17.1
177.16402	10.3
179.14287	7.8
187.14819	8.8
189.16354	13.0
191.17976	4.2
193.15849	5.7
193.99905	2.4
201.16394	6.1
203.17978	8.3
207.17503	2.5
215.17941	9.3
217.19536	4.4
219.17447	5.4
229.19502	2.4
233.18964	3.9
243.21086	3.8
245.22609	27.7
246.06903	2.3
263.14700	2.5
271.24185	21.2
289.05658	2.2
289.10822	4.8
289.25238	93.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1797
Annotation	Micrandrol D
Peak:m/z	Relative Intensity
53.03928	3.9
55.01871	7.9
55.05511	19.5
57.03410	1.6
65.03943	1.6
67.05182	1.6
67.05501	17.7
69.03417	2.5
69.07057	7.5
69.76852	5.5
71.04970	2.4
74.15665	1.0
76.33104	0.9
79.05494	32.2
79.28316	0.9
81.03394	4.8
81.07054	55.5
83.01353	1.5
83.04978	5.7
83.08612	4.8
91.05478	26.2
92.80299	1.0
93.07033	17.1
95.04987	4.9
95.08611	12.6
97.02885	3.0
97.06504	1.6
97.10168	5.1
103.05430	1.8
105.07027	19.1
107.04952	13.8
107.08585	15.1
109.02877	11.7
109.05805	1.7
109.06509	21.4
109.10141	4.2
111.04410	2.4
111.08070	2.2
115.05440	3.4
117.07021	14.0
119.04926	2.7
119.08583	17.0
121.02841	1.3
121.06469	4.8
121.10128	3.1
123.04400	5.3
123.08072	5.0
125.09621	4.5
127.50473	1.1
128.06183	1.7
129.06976	3.7
131.04897	1.4
131.08562	7.6
133.06473	3.6
133.10124	11.1
135.04399	3.3
135.08046	18.4
135.11658	1.6
137.05942	1.5
137.09590	3.8
141.07011	2.2
143.08543	6.7
145.06470	11.2
145.10118	7.2
147.08066	6.0
147.11636	2.1
149.09627	3.8
151.11156	1.4
153.09068	5.1
155.08574	1.9
157.10100	3.2
158.07224	1.1
159.08058	12.4
159.11729	3.1
161.09612	10.6
163.07527	14.7
163.11151	2.6
165.09160	1.5
169.10120	1.8
171.07986	1.8
171.11696	1.9
173.09607	4.8
175.11284	2.2
177.09100	4.1
179.10669	14.9
183.11682	3.1
185.26392	1.0
187.11125	2.3
189.09093	4.3
191.10686	3.3
197.09666	1.1
201.12817	1.4
201.16345	2.6
207.10161	4.3
215.17906	1.0
225.11316	1.8
225.16417	1.9
243.17435	13.8
247.13298	1.1
253.15860	2.6
261.18494	13.6
271.16937	11.3
289.17966	100.0
290.18286	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	289.1796
Annotation	Estriol
Peak:m/z	Relative Intensity
52.25542	1.1
53.03934	3.7
54.56742	1.1
55.01872	10.3
55.05272	1.8
55.05509	23.4
57.03164	2.1
57.03433	34.5
57.07061	1.8
65.03934	3.7
67.05505	37.8
69.03426	3.4
69.07067	9.1
69.96786	6.1
71.04974	3.4
76.86546	1.4
77.03934	1.1
79.05490	33.9
81.03393	4.5
81.06590	2.1
81.07052	30.3
83.04977	53.7
83.08615	5.6
85.06525	3.8
91.05479	48.4
93.07038	35.6
95.04949	11.5
95.08605	20.1
97.06525	4.6
97.10149	2.9
99.04455	11.1
103.05451	3.7
105.07026	36.0
107.04220	1.4
107.04946	28.2
107.08586	15.1
108.05774	1.7
109.06524	18.9
109.10138	5.5
110.37324	1.2
111.04439	17.7
111.08041	3.3
113.05978	2.2
115.05430	3.0
117.07011	16.1
119.04940	1.6
119.08581	22.6
121.06488	8.7
121.10145	7.4
123.04426	2.2
123.08046	4.2
125.05977	13.3
125.09665	1.3
128.06203	5.3
129.06982	11.5
131.04909	2.4
131.08563	20.7
132.05693	1.5
133.06473	14.1
133.10100	13.1
135.08047	15.2
135.11632	6.8
137.06017	6.0
137.09630	4.6
139.07516	1.4
141.06990	4.2
142.07761	1.7
143.08578	8.5
144.05734	1.5
145.06485	8.2
145.10114	13.9
146.07225	1.6
147.08057	14.1
147.11647	5.6
149.05986	5.7
149.09615	5.1
149.13214	1.6
151.07550	6.5
155.08554	4.9
157.10092	5.2
159.08035	13.7
159.11685	8.1
160.08781	2.5
161.05984	2.0
161.09608	13.4
161.13287	2.9
163.07545	3.3
163.11162	4.5
165.09064	2.7
169.10107	5.8
171.08142	1.3
171.11707	6.4
173.09630	7.4
173.13260	4.6
175.11191	6.6
177.09114	3.3
177.12744	15.3
178.13518	1.5
179.10716	1.8
183.11697	3.2
185.09601	1.6
185.13412	1.5
187.11162	3.5
187.14819	5.1
189.09122	1.4
189.12709	2.2
197.13304	4.1
199.11180	1.8
201.12611	1.4
205.15884	7.2
215.14325	5.1
215.17964	2.1
217.12282	1.3
225.16336	3.4
233.15359	21.9
233.19023	1.6
243.17430	9.1
253.15923	4.9
261.18484	26.0
271.16904	21.6
289.17990	100.0
289.21286	5.3
289.29324	4.7
290.18167	2.0
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	Chloranthalactone C
Peak:m/z	Relative Intensity
51.19903	3.0
53.03936	6.1
55.01869	41.1
55.05504	24.5
57.03423	11.4
63.97749	2.9
65.03942	3.4
67.05502	26.6
69.03423	7.0
69.07065	17.7
71.04989	3.8
71.50245	3.4
75.23266	2.8
79.05489	36.5
81.03403	11.0
81.07055	28.1
83.04966	21.4
83.08604	5.0
83.74220	3.5
84.04474	4.1
85.06537	6.0
87.04457	51.4
91.05476	100.0
93.07038	21.9
95.04967	15.4
95.08605	26.4
95.12642	3.0
97.06527	8.5
97.10110	3.0
103.05464	15.5
105.03365	10.7
105.07029	71.3
107.04943	15.6
107.08572	21.5
109.06516	43.7
109.10129	8.9
111.04388	3.0
111.08061	3.1
115.05453	22.8
117.07012	50.8
119.04942	22.9
119.08582	19.0
121.06499	17.7
121.10107	8.7
123.04385	4.2
123.08000	4.6
123.11693	4.2
128.06187	23.4
129.06998	40.3
130.07755	3.6
131.04915	13.7
131.08556	44.1
133.02838	9.4
133.06473	22.6
133.10133	7.6
135.04396	6.6
135.08046	6.1
137.05977	8.7
141.07001	47.9
142.07741	13.2
143.04964	3.4
143.08537	30.0
144.05629	3.6
145.06465	33.9
145.10120	16.3
147.04321	3.5
147.08040	12.4
147.11681	3.9
149.05956	42.0
149.09604	3.0
152.06136	3.4
153.05836	3.3
153.06987	20.4
154.07764	13.2
155.04918	4.2
155.08553	39.5
156.09271	4.5
157.06490	13.3
157.10103	24.3
158.07272	4.5
159.04407	9.4
159.08044	27.7
159.11700	8.9
161.05977	25.0
161.09647	9.3
163.03879	8.8
164.07028	5.6
165.05466	14.0
165.06981	13.6
166.07742	8.1
167.07219	3.4
167.08546	11.9
168.09337	12.2
169.06470	13.6
169.10141	14.0
171.08086	8.8
171.11676	6.8
173.05894	7.6
173.09587	9.4
173.13258	25.0
175.07550	8.9
175.11188	15.8
177.05331	4.1
178.07764	12.5
179.08508	5.8
180.09273	3.4
181.06482	5.1
181.10072	6.9
182.07184	10.6
183.08022	9.4
183.11696	46.0
185.06029	4.3
185.09596	18.3
186.02138	5.2
187.07527	13.3
187.11218	21.0
189.05481	5.3
189.09032	6.2
191.07008	11.2
193.08577	4.9
193.10141	21.6
195.08035	3.9
195.11684	4.9
196.08896	4.9
197.09561	4.3
199.07521	4.0
199.11169	19.1
201.09055	4.9
201.12732	49.4
203.10625	6.9
211.11172	51.0
213.09070	6.4
215.10648	3.5
217.08646	6.5
218.07249	9.6
221.09656	4.4
227.10654	9.3
229.12204	46.3
229.14284	4.5
230.12563	3.8
231.13760	3.6
239.10657	14.5
245.11728	4.9
246.06750	11.9
247.13298	4.4
253.15935	4.8
257.11722	35.4
259.13297	4.6
261.09122	10.3
261.14816	31.1
271.13361	13.4
271.16882	7.3
271.24243	2.9
274.06155	6.1
275.12982	3.3
289.05927	23.8
289.08612	15.0
289.10898	10.4
289.14380	54.3
289.17957	24.3
289.25241	13.1
290.52008	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	289.0403
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03914	0.5
55.01848	0.9
56.96567	2.8
57.03424	2.0
58.99857	1.9
59.04990	0.5
60.05633	0.5
61.02935	2.2
64.57613	0.5
69.03432	3.3
69.59825	2.7
70.03757	0.5
70.06590	1.0
70.99845	1.6
71.05004	0.9
72.08153	0.5
73.02913	1.5
77.00901	1.9
81.03389	1.3
82.99871	2.2
83.01340	0.6
84.00675	0.4
84.08140	1.0
85.02903	6.5
86.99297	0.8
87.04448	0.9
89.00877	1.0
91.02450	1.1
91.03989	0.5
91.05490	0.5
97.01409	1.3
97.02316	0.9
97.02883	5.1
98.03223	0.7
98.97588	3.1
99.04479	0.6
100.85663	0.4
101.00873	33.0
102.00983	1.0
103.00639	0.4
103.02441	1.0
105.00356	0.9
107.04951	0.5
109.02844	1.0
109.07629	2.8
110.97545	0.6
112.99118	1.5
113.00845	2.7
114.92671	0.4
115.02427	16.1
115.03235	1.0
116.02715	0.4
116.17008	0.4
116.98615	1.4
117.03972	1.3
118.01113	0.7
119.01913	100.0
120.01960	2.8
121.01620	1.0
124.02454	0.7
126.98781	0.9
127.02432	1.1
127.03957	2.2
127.04880	0.4
127.08665	8.4
128.98576	1.3
129.00404	0.5
129.03969	3.5
131.00217	1.5
131.01903	12.3
131.05571	0.5
133.03462	29.6
134.03542	0.7
134.99611	0.7
135.03166	0.5
135.04997	1.7
137.02946	22.8
137.05965	2.4
138.03021	0.6
142.03494	2.5
143.01888	13.3
144.99817	4.1
145.01692	0.6
145.03450	6.9
146.99593	1.8
147.01315	2.1
147.03195	0.5
147.05054	6.2
149.01181	0.8
149.02950	3.4
149.06583	0.8
151.04515	5.7
155.01866	2.1
156.04976	0.5
157.03499	3.7
158.99693	0.7
159.01378	1.7
159.05023	0.6
161.02948	55.2
161.06549	1.0
162.03152	1.6
163.00868	0.7
163.03192	0.6
163.04500	3.0
165.00609	0.5
165.02452	0.9
166.25439	0.4
167.07129	0.7
168.99805	5.6
169.03482	1.7
169.54541	1.0
170.99876	0.7
171.01375	6.9
171.05038	1.1
172.05109	0.6
173.01443	0.8
173.02963	9.5
175.00941	2.5
175.03082	0.5
175.04539	2.7
176.56157	2.7
177.00787	0.9
177.02429	1.8
177.04034	0.7
177.05956	0.4
178.04947	2.7
178.55048	3.6
179.02356	1.0
179.04004	3.6
181.03506	0.8
183.01437	0.5
184.04561	2.9
185.02942	3.1
187.00877	20.3
187.04474	5.1
189.02437	13.9
189.06029	0.8
190.02576	0.5
190.06001	0.7
191.03995	10.2
191.05595	0.7
193.00179	0.6
193.01927	1.3
193.03543	0.5
195.04991	0.5
196.99283	2.5
197.02937	0.6
199.00888	8.9
199.02589	0.8
199.04417	3.2
201.02426	3.2
201.04149	0.7
201.06064	0.9
203.00421	1.0
203.03999	2.2
205.00130	0.9
205.01944	9.0
205.05554	0.9
206.98074	0.5
207.03470	4.4
208.04904	1.9
210.02509	0.7
211.04578	1.3
214.05453	0.5
215.00368	21.8
216.00639	0.6
217.01918	23.6
217.05600	1.9
218.02037	0.5
219.01697	1.0
219.03499	7.4
221.05016	2.3
223.03020	1.0
227.04019	0.5
229.01900	7.1
229.05409	2.2
231.03558	1.7
233.01392	3.4
235.02965	2.1
235.06734	0.6
237.02748	1.3
238.01947	0.9
239.06172	0.6
240.03471	1.1
245.01355	0.9
247.02995	21.2
248.03130	0.7
251.02530	0.9
257.01526	0.7
257.05048	1.2
259.02924	1.0
259.06689	3.0
263.02356	0.7
265.04004	6.2
270.04578	1.5
271.02490	0.6
275.02618	0.5
277.04163	2.9
288.05609	0.7
289.04068	6.5
289.07764	5.8
289.14047	1.0
289.20425	0.5
307.05066	4.7
307.08743	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	289.0403
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.0
55.01866	1.6
55.44330	0.9
56.96548	1.6
57.03440	2.9
57.86306	0.9
58.99866	1.4
61.02917	3.4
69.03429	8.5
70.06580	1.5
70.46970	3.3
71.04999	1.5
73.02911	3.8
77.00915	2.6
79.05489	1.2
81.03421	6.9
81.04526	2.0
82.99856	2.2
84.08150	0.9
85.02902	15.3
86.03239	1.5
87.04485	1.1
90.74631	0.8
95.01948	1.0
95.51553	1.0
97.02885	9.4
98.97585	2.2
99.04452	3.8
100.02555	1.0
101.00876	19.6
103.02413	0.8
105.00380	0.9
107.04951	2.4
109.02863	4.6
109.03508	1.0
113.00864	1.7
115.02439	12.8
116.98613	1.5
117.03986	1.6
119.01918	100.0
120.02024	2.9
121.01642	2.0
121.03492	1.1
122.62373	0.9
127.03912	18.3
127.05019	5.9
127.08651	2.2
128.04182	1.0
129.03973	4.0
131.01901	8.2
133.03464	27.4
134.03569	1.1
134.99626	1.1
135.05042	2.6
137.02956	30.9
142.03491	3.4
143.01889	15.2
144.02135	1.4
144.03377	0.9
144.99823	3.4
145.01689	1.5
145.03473	5.7
145.04922	2.4
146.99666	1.5
147.01424	2.6
147.03186	1.2
147.05013	7.1
149.02953	3.6
151.04642	5.0
155.01901	2.4
156.05052	2.3
157.03482	3.6
159.01382	1.1
160.04553	1.1
161.02954	61.4
162.03072	2.7
163.00954	0.9
163.02705	1.5
163.04544	2.0
165.00653	1.0
165.02330	0.9
168.99800	5.9
171.01390	5.0
173.02977	10.4
174.03108	1.5
175.00992	2.3
175.02687	1.5
175.04509	2.9
177.02513	1.2
177.04094	3.0
179.04021	3.0
184.04564	4.5
185.02927	4.2
186.04651	5.6
187.00894	19.9
187.02585	1.2
189.00700	0.9
189.02422	19.1
191.03989	9.1
192.55582	1.6
193.01900	1.4
196.99330	3.8
199.00821	5.2
201.02444	3.6
203.04001	3.7
205.01935	8.8
205.05017	1.1
207.03418	6.8
210.02492	1.6
213.02419	1.3
215.00369	24.9
215.03972	2.1
217.01945	16.2
219.03467	7.3
221.05093	1.7
227.03964	1.1
229.01910	4.5
231.03505	3.4
233.01489	4.3
235.02881	2.2
238.02042	2.1
239.06145	1.7
240.03458	1.6
245.04984	1.5
247.03008	21.7
251.02649	1.3
265.04190	6.3
270.04630	2.4
275.02563	1.4
289.03857	4.4
289.07065	1.0
298.04114	1.0
307.05124	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2216
Annotation	Hexadecanedioic acid
Peak:m/z	Relative Intensity
55.01863	0.8
55.05507	3.5
57.03417	0.7
57.07059	0.7
63.00026	1.1
67.01860	2.5
67.05499	5.6
68.35873	0.7
68.99770	2.2
69.03416	0.9
69.07072	3.8
69.97733	1.9
69.98155	1.0
71.04967	0.9
79.05486	3.9
81.03422	1.1
81.07056	7.6
83.04945	1.0
83.08610	2.5
83.78007	0.7
85.32998	0.7
91.05465	2.9
93.07040	7.5
95.04949	1.4
95.08601	7.4
97.06498	4.0
97.10142	1.2
98.98472	1.8
103.05460	1.2
105.07010	2.8
107.08572	2.6
107.97637	0.6
109.06516	0.8
109.10165	3.1
117.06987	1.0
119.08573	2.3
121.06496	1.4
121.10141	3.9
123.11691	1.4
125.00008	0.6
125.09582	0.8
128.06241	0.8
129.06947	1.1
131.08551	2.3
133.10112	2.1
135.04395	4.4
137.02357	1.2
137.13251	0.6
139.11208	1.4
141.06908	0.7
142.21577	0.6
143.08514	0.7
145.10106	2.2
147.11646	1.4
149.09590	2.2
153.01822	11.3
157.10092	1.1
159.08098	0.7
159.11650	1.0
163.07544	1.2
171.01514	1.3
171.02821	0.9
171.08025	1.2
171.11671	1.3
185.05887	0.8
185.13214	0.8
191.07024	2.1
195.08034	0.9
203.03383	2.3
213.05438	0.8
215.18021	1.1
227.10620	1.2
233.18951	2.3
241.04956	2.4
243.33467	0.7
251.20093	9.1
255.09651	0.8
261.13260	1.3
269.04175	0.9
269.18671	0.7
269.21170	1.7
287.05490	100.0
287.12527	2.6
287.16412	2.7
287.20007	2.6
287.23318	1.3
288.05847	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	287.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.2
55.05504	13.8
57.07058	2.8
66.64223	1.3
67.05502	47.8
69.03426	1.6
69.07066	17.6
69.25204	12.0
71.04652	1.3
71.04990	12.5
79.05481	19.3
81.07053	53.0
83.05003	1.6
83.08612	10.5
85.06532	5.3
85.83216	1.0
91.05477	14.5
93.07034	22.8
95.04965	2.4
95.08604	60.7
95.73145	1.4
97.06525	4.4
97.10163	7.3
98.21489	2.2
105.07024	8.0
107.04948	1.4
107.08583	15.7
109.06561	1.5
109.10155	36.5
111.08084	3.0
111.11692	3.6
117.06987	3.7
119.08592	8.2
121.06509	2.5
121.10136	18.6
123.08073	2.0
123.11692	11.8
123.86014	1.1
125.09592	1.4
129.06987	1.6
131.08578	6.1
133.10149	13.0
135.04396	1.6
135.08060	3.2
135.11674	12.9
137.05975	2.8
137.09622	4.6
137.13248	4.9
139.07538	1.7
145.10110	5.4
147.11664	4.3
149.09619	1.9
149.13257	3.8
151.07570	1.5
151.11148	3.9
151.14789	1.6
153.01852	9.9
159.11700	4.2
161.13290	1.5
163.07553	2.3
163.11208	1.5
166.07750	1.2
167.08539	4.3
171.02763	1.3
173.13284	3.1
174.92931	1.2
181.06392	1.2
187.14812	1.4
191.17961	11.7
195.08069	5.0
199.56387	1.3
202.06003	1.2
209.18983	5.2
215.17957	10.7
223.07564	1.4
225.22188	3.7
227.10591	4.6
227.20045	1.9
230.05289	4.8
233.18970	6.6
240.07698	1.7
245.97459	1.3
251.20039	5.7
251.30132	1.4
255.10123	3.8
258.04944	3.4
259.05551	29.2
260.05615	2.2
269.21097	4.7
287.05319	100.0
287.12576	3.5
288.05682	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	287.2003
Annotation	CHEBI:70569
Peak:m/z	Relative Intensity
53.03933	0.8
53.44557	0.6
55.05505	1.7
57.07057	2.0
59.04990	1.3
59.87193	0.6
60.89646	0.6
63.00040	0.8
64.50276	0.7
67.01858	1.9
67.05501	5.1
68.99796	1.7
69.03432	1.4
69.07070	4.2
71.04984	0.6
71.51469	0.9
79.05489	5.0
79.94727	0.6
81.07040	6.1
83.04977	2.1
83.08604	1.1
85.06518	1.2
89.03899	1.1
90.34544	0.7
91.05473	5.8
93.07041	8.0
95.04964	7.6
95.08617	5.9
97.06519	4.3
105.07027	9.3
107.04956	0.8
107.08585	9.2
107.09901	0.6
109.06497	2.8
109.10149	4.5
117.06998	2.8
119.08565	8.9
121.06506	1.4
121.10136	7.8
123.08031	1.3
123.11668	1.2
125.09589	0.7
128.06223	2.3
129.06993	2.3
131.04863	1.0
131.08565	8.5
133.06549	0.9
133.10146	6.9
134.10892	1.0
135.04408	3.5
135.08014	2.4
135.11678	1.2
141.06914	1.1
142.07747	2.2
143.08557	7.0
144.09290	0.9
145.10123	9.0
147.04236	0.8
147.08032	2.3
147.11710	3.8
149.06013	0.9
149.09619	5.5
151.11156	0.7
153.01826	10.1
155.08542	1.9
156.09366	3.6
157.06429	0.9
157.10112	7.9
158.10910	3.2
159.11681	7.7
161.02342	1.0
161.09592	2.0
161.13217	1.9
163.11197	1.0
165.06989	2.2
167.08549	1.5
168.09276	0.8
169.07692	0.6
169.10097	3.8
170.10860	3.5
171.02888	1.5
171.08011	0.9
171.11679	8.4
173.09685	1.4
173.13258	9.5
175.11150	1.3
175.14876	1.2
177.12730	1.4
180.09326	0.8
181.10123	1.0
183.11710	1.9
184.12497	0.8
185.09602	1.7
185.13228	6.1
186.13995	1.8
187.11133	3.1
187.14819	4.2
189.12753	2.9
191.07034	7.0
191.14322	1.7
194.10870	0.7
195.08014	1.0
195.11668	2.8
196.12535	1.2
197.13237	0.8
198.10370	1.1
199.11176	1.7
199.14766	1.6
201.12764	1.0
203.14296	2.8
209.13141	1.2
211.14807	2.5
213.12709	5.9
216.04230	3.8
221.13103	0.7
227.14302	2.5
227.17882	1.1
229.15833	2.5
231.13855	3.9
241.04967	1.7
241.15659	0.8
241.19458	2.4
249.83060	0.7
251.17784	1.0
255.10149	0.8
269.18988	16.7
270.19427	0.7
287.05484	100.0
287.16589	2.2
287.20007	33.0
287.23285	0.6
288.05817	6.4
288.09995	0.9
288.20422	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2005
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.2
55.01868	1.2
55.05494	3.1
57.07065	2.6
58.61991	0.8
59.04988	1.9
65.79617	0.7
67.01847	2.3
67.05511	7.5
68.99774	1.0
69.03423	1.6
69.07069	4.3
70.11349	2.5
71.04991	0.7
79.05494	6.0
81.03421	1.0
81.07054	6.4
83.04968	2.1
83.08591	1.6
85.06528	1.6
89.03927	1.1
91.05090	0.6
91.05492	7.6
93.07051	6.8
95.04959	8.3
95.08613	7.1
97.06537	4.2
98.16829	0.7
98.98477	1.1
103.05515	0.8
105.07029	10.8
106.87497	0.7
107.04969	1.7
107.08601	10.5
109.06544	4.1
109.10138	4.7
111.08097	1.3
115.05409	0.9
117.07037	4.0
119.05943	0.7
119.08586	9.7
121.06489	1.9
121.10149	9.0
123.11742	1.7
125.09586	0.8
128.06187	1.8
129.06978	3.4
131.04860	1.1
131.08553	8.9
133.06491	1.3
133.10141	7.1
134.10889	1.0
135.04431	4.9
135.08017	1.8
135.11679	2.2
137.02330	1.5
137.05983	0.8
137.09627	1.0
141.06976	1.1
142.07822	3.6
143.08572	8.3
144.09305	2.5
145.06479	1.1
145.10132	8.3
147.08051	2.3
147.11685	4.0
149.06035	0.9
149.09650	3.7
153.01840	11.7
155.08539	2.9
156.09361	3.7
157.06564	0.9
157.10130	10.5
158.10893	2.1
159.08104	1.4
159.11707	9.8
161.09634	2.4
161.13246	1.9
163.07515	1.2
165.06984	1.8
167.08591	2.4
169.10133	3.7
170.10974	3.6
171.02866	1.7
171.08061	1.3
171.11684	8.1
172.08844	1.3
172.12468	1.3
173.09558	2.2
173.13260	11.9
175.07506	1.0
175.11198	2.3
175.14781	1.2
177.12653	1.1
177.23715	0.7
178.49176	0.8
179.08553	1.0
180.09370	1.1
181.10143	1.2
183.11696	2.7
184.12463	1.3
185.09521	1.1
185.13240	7.8
186.10356	0.9
186.14021	1.7
187.11191	4.1
187.14758	3.8
189.12770	2.4
191.07016	3.8
191.14288	1.6
193.10300	1.0
195.11613	4.8
197.13280	1.3
198.10440	1.7
199.11191	1.4
199.14857	2.7
203.14313	2.4
209.13277	2.4
211.14825	2.2
213.12727	9.0
213.16252	0.8
225.16273	1.3
227.14294	3.3
227.17978	1.0
229.16014	1.7
231.13788	5.8
241.04973	1.5
241.15988	1.4
241.19498	3.5
251.18086	2.1
269.19016	19.9
270.19519	1.0
287.05511	100.0
287.12683	3.0
287.16534	2.7
287.20032	34.5
287.23264	1.5
288.05789	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	287.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.1
55.01845	0.9
56.87749	0.5
57.03427	2.4
61.03999	0.5
64.67519	0.6
70.06573	1.7
70.46272	2.2
78.04702	1.5
79.05081	0.6
79.05495	6.6
81.03396	0.6
91.05488	3.2
91.05965	0.6
95.04956	1.9
103.05463	6.6
105.07024	6.2
107.04955	49.2
107.08593	0.9
115.04661	0.7
115.05426	3.0
115.53052	0.5
117.07043	1.4
119.16553	0.6
120.05717	1.7
121.06506	1.4
122.03638	0.6
123.04413	3.6
124.05223	2.0
125.05998	1.2
131.04919	1.9
133.06505	2.1
135.08055	17.2
137.05946	2.5
145.07594	1.4
147.04414	1.4
149.05956	1.2
151.03896	0.8
152.04675	1.2
153.05418	0.6
154.06265	2.5
163.07542	38.7
164.08072	0.6
167.07037	100.0
167.88841	0.6
176.14534	0.7
179.07115	0.7
180.07849	3.3
181.08600	1.8
193.08629	2.1
195.08171	2.0
195.10155	30.9
211.09654	5.3
212.10399	0.6
213.11218	32.6
223.07471	1.2
227.10725	2.4
236.11005	0.7
255.10194	1.7
287.05566	1.5
287.09222	1.0
287.12527	0.9
287.17087	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	287.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	0.9
55.01863	1.3
66.12693	0.9
67.01856	2.2
67.05497	2.2
68.99776	1.8
69.03416	2.4
79.05505	4.9
81.03413	1.2
81.07055	2.9
82.03723	0.9
83.05003	1.8
83.20821	1.1
89.03904	1.5
90.17854	0.9
91.05465	9.3
93.46968	0.9
95.04967	3.2
97.02892	1.2
103.05467	8.2
105.07027	8.7
107.04929	5.0
108.05756	1.2
109.06525	7.1
111.04450	4.2
115.05423	3.0
117.03323	1.1
117.06991	2.3
119.04936	2.1
120.05721	1.1
121.06513	13.5
122.03633	2.3
123.08028	1.6
124.05238	1.5
125.02349	1.8
128.06192	1.2
129.06961	1.7
131.04918	9.7
131.08554	1.2
133.02829	1.3
133.06471	1.1
134.03679	2.2
135.04410	5.8
135.08061	17.6
137.02332	1.6
137.05981	34.5
139.07481	1.3
141.06989	1.7
143.04915	2.1
143.08513	1.3
145.06500	3.9
147.04431	3.9
148.05205	2.3
149.05983	22.2
151.07545	21.1
152.06201	19.7
153.01845	12.3
153.06981	2.6
155.08510	0.9
157.06499	1.0
161.02330	1.8
161.05969	2.0
162.06737	1.8
163.03897	1.8
163.07541	34.7
164.08258	1.8
165.05737	1.7
165.07016	12.5
165.09117	5.1
166.07806	13.4
167.07161	2.7
167.08554	60.6
168.09077	1.1
169.06508	5.9
171.02882	2.2
171.08195	1.3
174.06847	1.4
175.07518	2.1
176.06256	1.9
177.05591	1.8
177.06999	6.1
177.09102	3.4
178.07692	1.2
179.10860	0.9
180.05711	1.3
181.06439	5.3
181.10138	3.3
183.08092	3.1
184.08850	5.6
189.09123	1.1
194.07254	9.4
195.08055	83.4
196.08699	4.0
197.06021	14.9
209.09581	9.1
211.07611	4.9
212.08333	14.8
213.05424	1.2
213.08865	1.2
221.05925	1.3
222.06818	1.6
223.07542	26.8
224.08266	1.9
225.05466	3.4
227.10669	86.8
228.11050	2.2
231.14098	1.2
231.64702	1.0
237.09106	4.6
239.07051	1.9
240.07811	5.6
241.04921	1.4
241.09624	1.5
241.12183	2.4
255.10164	66.0
256.10788	3.3
269.11942	2.4
272.10397	2.2
287.05518	100.0
287.10208	4.7
287.12762	42.4
287.23636	1.4
288.05838	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	287.1277
Annotation	3'-Hydroxy-3,4,5'-trimethoxystilbene
Peak:m/z	Relative Intensity
53.03941	1.4
55.01866	1.6
58.25099	0.9
65.03927	1.5
67.05501	1.7
68.99750	1.1
79.05473	4.0
80.46835	0.9
81.07047	4.6
82.69720	1.1
83.04970	1.5
85.02927	1.3
90.37888	0.9
91.05476	8.8
93.07026	1.3
94.04182	1.7
95.04933	2.6
95.08602	1.8
98.21550	2.5
103.05470	7.5
105.07033	11.4
107.04953	3.6
109.06521	8.4
111.04458	4.0
115.05462	3.0
117.07008	3.1
119.04917	2.3
121.06499	17.0
122.03650	3.0
123.08049	1.9
125.06053	1.2
131.04919	10.1
133.06500	1.9
134.03619	4.1
135.04376	1.9
135.08049	24.6
136.05147	1.5
137.05977	45.2
139.05354	1.1
139.07535	1.1
141.06940	1.8
143.04892	3.0
145.06471	4.1
147.04437	5.7
148.05157	3.6
149.05980	30.7
151.07532	24.8
152.04886	0.8
152.06194	25.1
153.01831	6.8
153.07010	2.9
154.02129	3.9
155.08545	1.3
156.09293	1.6
156.21523	1.1
156.99403	1.2
159.04329	1.1
159.08098	1.4
161.06012	5.5
162.06735	3.1
163.03906	3.2
163.07545	35.1
165.06987	18.4
165.09103	5.5
166.07793	19.5
167.08566	80.2
169.06494	6.3
171.08025	1.6
174.06763	2.3
175.07454	2.1
176.06166	0.9
176.08372	1.7
177.06943	7.5
177.09116	2.8
179.08447	2.1
181.06485	7.2
181.10114	3.9
183.08090	5.2
184.05331	1.2
184.08810	6.9
187.07561	1.9
194.07303	11.0
195.08054	100.0
196.08737	5.9
197.05989	18.6
198.06648	1.6
199.11179	2.3
201.09120	1.0
205.06445	1.8
209.09618	9.2
211.07594	9.1
212.08345	19.2
213.05316	1.2
213.08939	1.5
222.06802	2.2
223.07558	27.1
224.08241	3.3
225.05417	2.9
226.09885	1.0
227.10669	99.4
228.11000	4.1
229.04951	1.8
229.08623	1.3
230.05324	7.4
231.80148	1.1
237.09122	4.8
239.07005	2.3
240.07869	8.1
241.08588	2.3
241.12370	2.3
254.09370	1.5
255.10175	68.3
256.10675	4.1
257.08200	1.3
258.04935	7.9
259.05579	52.8
259.13162	1.2
260.05630	1.6
269.11664	4.6
272.10382	3.0
287.05212	79.0
287.12762	45.1
288.05521	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	287.1124
Annotation	Isohomoarbutin
Peak:m/z	Relative Intensity
53.03934	2.3
56.04940	1.2
56.96556	2.0
57.03431	8.0
59.88146	1.3
61.02923	11.0
63.00038	3.0
65.03941	10.1
65.60574	1.2
67.05499	2.3
69.03416	1.9
70.06573	2.0
71.49341	1.4
71.49708	2.3
72.08145	1.4
74.80876	1.4
75.04472	10.4
79.05486	14.7
81.03421	1.8
81.07047	1.7
84.04485	2.5
84.08146	2.1
85.02885	3.6
89.03929	3.8
89.31992	1.6
91.05477	6.3
93.03416	7.3
95.04959	7.1
97.02903	2.5
98.98455	3.1
105.03344	1.8
105.07034	2.2
107.04951	32.5
109.06512	2.5
110.03661	20.9
111.04449	25.4
117.03379	2.9
119.04918	1.6
119.08567	2.4
121.06490	11.6
122.03655	4.4
123.04408	6.5
125.05991	100.0
133.02823	14.9
134.03644	1.8
135.02766	2.0
135.04408	31.9
135.60359	1.6
137.05975	7.6
141.05473	4.7
143.00220	1.8
143.07040	1.8
145.02820	2.4
145.06465	1.7
149.05960	21.2
150.03151	9.9
151.03906	91.2
151.05026	9.7
152.04686	2.9
152.50247	1.5
153.01891	3.3
153.05460	9.8
158.97350	1.5
161.01198	3.3
162.03136	4.9
163.02274	2.8
163.03897	23.3
163.07558	4.6
165.05489	31.3
166.05960	2.3
167.07027	22.9
169.03235	2.5
171.07683	2.8
172.19232	1.4
177.05470	42.2
179.03334	2.3
180.04160	9.1
181.08557	2.8
183.06528	3.9
191.01457	1.8
193.04936	2.9
195.04779	2.9
195.06505	20.5
199.09610	8.0
200.98540	1.6
205.03947	1.5
213.07533	15.0
223.04214	4.0
225.07553	9.6
241.05162	2.1
255.10258	1.5
269.10211	4.2
287.05545	23.1
287.11136	26.9
287.16312	4.4
287.19971	1.6
287.23639	2.1
288.05893	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1275
Annotation	3'-Hydroxy-3,4,5'-trimethoxystilbene
Peak:m/z	Relative Intensity
53.03917	0.9
55.01863	1.3
66.12693	0.9
67.01856	2.2
67.05497	2.2
68.99776	1.8
69.03416	2.4
79.05505	4.9
81.03413	1.2
81.07055	2.9
82.03723	0.9
83.05003	1.8
83.20821	1.1
89.03904	1.5
90.17854	0.9
91.05465	9.3
93.46968	0.9
95.04967	3.2
97.02892	1.2
103.05467	8.2
105.07027	8.7
107.04929	5.0
108.05756	1.2
109.06525	7.1
111.04450	4.2
115.05423	3.0
117.03323	1.1
117.06991	2.3
119.04936	2.1
120.05721	1.1
121.06513	13.5
122.03633	2.3
123.08028	1.6
124.05238	1.5
125.02349	1.8
128.06192	1.2
129.06961	1.7
131.04918	9.7
131.08554	1.2
133.02829	1.3
133.06471	1.1
134.03679	2.2
135.04410	5.8
135.08061	17.6
137.02332	1.6
137.05981	34.5
139.07481	1.3
141.06989	1.7
143.04915	2.1
143.08513	1.3
145.06500	3.9
147.04431	3.9
148.05205	2.3
149.05983	22.2
151.07545	21.1
152.06201	19.7
153.01845	12.3
153.06981	2.6
155.08510	0.9
157.06499	1.0
161.02330	1.8
161.05969	2.0
162.06737	1.8
163.03897	1.8
163.07541	34.7
164.08258	1.8
165.05737	1.7
165.07016	12.5
165.09117	5.1
166.07806	13.4
167.07161	2.7
167.08554	60.6
168.09077	1.1
169.06508	5.9
171.02882	2.2
171.08195	1.3
174.06847	1.4
175.07518	2.1
176.06256	1.9
177.05591	1.8
177.06999	6.1
177.09102	3.4
178.07692	1.2
179.10860	0.9
180.05711	1.3
181.06439	5.3
181.10138	3.3
183.08092	3.1
184.08850	5.6
189.09123	1.1
194.07254	9.4
195.08055	83.4
196.08699	4.0
197.06021	14.9
209.09581	9.1
211.07611	4.9
212.08333	14.8
213.05424	1.2
213.08865	1.2
221.05925	1.3
222.06818	1.6
223.07542	26.8
224.08266	1.9
225.05466	3.4
227.10669	86.8
228.11050	2.2
231.14098	1.2
231.64702	1.0
237.09106	4.6
239.07051	1.9
240.07811	5.6
241.04921	1.4
241.09624	1.5
241.12183	2.4
255.10164	66.0
256.10788	3.3
269.11942	2.4
272.10397	2.2
287.05518	100.0
287.10208	4.7
287.12762	42.4
287.23636	1.4
288.05838	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	287.1102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.9
55.05520	1.3
56.96564	10.6
57.03435	1.0
57.07064	1.3
61.02901	1.2
63.00023	3.5
64.99717	1.2
67.05499	2.2
69.03420	2.8
69.68998	2.6
69.69411	3.9
70.06591	8.3
71.06899	1.7
72.08169	1.4
73.02902	1.8
79.05489	3.2
81.03414	2.6
83.04980	1.7
83.82899	0.9
84.04508	1.3
84.08158	1.4
84.96017	1.8
85.02902	6.1
85.06546	1.9
87.04469	1.2
89.03903	6.4
93.07051	1.1
95.04963	2.7
97.02873	4.4
98.21472	2.1
98.97614	6.2
98.98445	1.6
101.00878	3.6
105.07052	1.5
107.04959	6.7
109.02875	1.0
109.06514	1.2
111.04452	1.3
112.07597	6.8
113.07971	1.9
116.98631	4.0
117.03386	5.9
119.01923	15.4
121.06507	1.3
124.99097	2.3
125.02384	1.0
127.03917	1.6
128.98627	2.3
130.08678	2.2
131.01872	3.3
131.04942	1.5
134.99678	1.7
135.04387	12.7
137.02940	3.2
140.07050	1.4
141.07385	2.1
143.00212	5.4
143.01888	16.8
145.02762	6.5
145.05013	1.1
146.99681	2.3
155.01913	1.1
156.03304	1.1
157.01543	1.1
158.99672	1.4
161.01219	7.9
161.02954	37.5
163.02805	1.5
163.03902	40.2
164.04243	3.6
165.05434	1.2
167.83255	1.0
170.99763	1.2
173.02945	2.7
174.04274	1.7
175.04503	1.0
177.00725	2.5
183.16095	1.1
184.04605	4.5
185.01173	1.3
186.04396	1.3
189.00655	2.4
190.95399	1.6
203.02234	2.3
203.04021	5.3
204.05489	2.4
207.05370	2.2
219.01843	2.0
221.05028	5.2
231.01674	1.1
237.00694	1.1
237.02859	2.8
239.02333	1.1
249.02852	5.1
255.03896	5.0
267.03986	4.4
273.02588	1.6
285.05118	1.9
287.02075	2.1
287.05637	3.2
287.11005	100.0
288.11224	2.1
291.00583	1.2
291.03864	4.8
309.05087	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	287.0549
Annotation	Luteolin
Peak:m/z	Relative Intensity
53.03932	0.1
57.94019	0.1
67.01859	1.4
67.79787	0.1
68.99783	1.0
69.03440	0.1
69.31197	0.2
69.31615	0.5
79.05473	0.3
81.03444	0.1
89.03920	0.5
107.04940	0.3
109.02914	0.1
111.00774	0.2
111.04451	0.2
111.65005	0.1
111.90170	0.1
115.05565	0.1
117.03381	0.7
120.45472	0.1
129.01836	0.3
133.02945	0.1
133.54219	0.1
135.04413	3.9
137.02332	1.0
139.05405	0.1
153.01822	10.1
154.02182	0.1
157.06517	0.2
161.02344	1.2
163.03941	0.1
171.02907	0.9
171.04317	0.1
179.03406	0.6
185.05992	0.3
189.05428	0.1
199.03937	0.2
203.03389	0.2
213.05513	0.4
219.06456	0.2
227.03497	0.1
231.06427	0.1
241.04927	1.2
245.04532	0.1
259.06055	0.2
263.05533	0.1
269.04431	0.7
287.05484	100.0
288.05807	2.5
289.09763	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	287.0542
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01540	0.2
67.01865	1.8
67.80686	0.2
68.11002	0.2
68.99789	1.7
69.03481	0.2
73.63301	0.1
74.60401	0.2
74.63581	0.1
79.05473	0.3
81.03389	0.2
89.03909	0.7
91.05459	0.2
97.02883	0.3
98.21595	0.4
107.04934	0.5
109.39986	0.2
117.03368	0.8
119.04843	0.2
125.02365	0.3
127.03944	0.3
129.01831	0.3
135.04414	4.4
137.02354	1.0
139.05403	0.2
140.05917	0.2
147.04393	0.2
153.01822	13.4
154.02151	0.2
157.06470	0.2
161.02332	1.4
171.02931	1.2
171.04315	0.3
177.53860	0.2
179.03366	0.6
185.05986	0.4
189.05363	0.2
203.03349	0.4
213.05496	0.6
219.06474	0.3
231.06618	0.2
241.04941	1.6
245.04326	0.2
263.05481	0.2
269.04428	0.7
287.05484	100.0
288.05844	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79034	0.2
56.10707	0.2
59.95504	0.1
64.76849	0.2
67.01858	1.7
67.37372	0.1
68.99793	1.4
69.03427	0.2
69.27920	1.3
69.28326	0.4
79.05466	0.5
81.03449	0.2
81.97477	0.2
84.66862	0.2
85.02867	0.2
89.03908	0.7
91.05457	0.4
92.92087	0.2
95.04974	0.2
98.21614	0.3
103.05453	0.4
105.07032	0.4
105.53841	0.2
107.04939	0.6
109.02867	0.2
109.06507	0.3
111.00741	0.2
111.04424	0.2
115.05438	0.2
117.03379	0.6
121.06509	0.7
125.02409	0.2
127.03955	0.2
129.01810	0.3
129.06976	0.3
131.04936	0.4
135.04407	4.6
135.08032	0.7
137.02348	1.1
137.05975	1.5
149.05968	1.2
151.07547	0.9
152.06215	1.1
153.01814	11.1
161.02391	1.4
161.06023	0.2
163.07550	1.7
165.06992	0.5
165.09128	0.3
165.26277	0.2
166.07802	0.8
167.05034	0.2
167.07288	0.2
167.08577	2.9
168.57777	0.2
171.02878	1.0
171.04329	0.3
177.06950	0.3
179.03346	0.4
181.06598	0.2
184.08821	0.4
185.05940	0.5
194.07275	0.4
195.08032	3.2
197.05981	0.6
203.03378	0.4
209.09563	0.4
211.07610	0.2
212.08194	0.7
213.05478	0.5
223.07613	1.0
227.10657	3.7
231.06242	0.2
237.09117	0.2
240.07797	0.3
241.04936	1.3
245.04396	0.3
255.10150	2.7
269.04379	0.9
269.11746	0.2
287.05481	100.0
288.05826	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	287.0544
Annotation	Luteolin
Peak:m/z	Relative Intensity
54.69654	0.1
67.01863	1.7
68.99458	0.1
68.99793	1.3
69.03413	0.2
70.79826	0.2
70.80170	0.1
74.84857	0.1
79.05473	0.2
81.03399	0.1
89.03912	0.6
95.04988	0.1
107.04949	0.3
111.00800	0.2
111.04423	0.1
117.03364	0.8
119.04932	0.1
125.02374	0.2
128.06248	0.1
129.01819	0.3
129.07005	0.1
135.04411	4.5
137.02361	1.1
137.03371	0.2
153.01826	10.6
154.02206	0.1
157.06454	0.2
161.02321	1.6
165.01994	0.1
167.04945	0.2
171.02904	1.0
171.04300	0.2
171.80273	0.1
179.03349	0.5
185.05951	0.3
189.05408	0.1
195.08177	0.1
199.03873	0.1
203.03319	0.1
208.11674	0.1
213.05475	0.4
217.05046	0.1
219.06520	0.1
227.10637	0.2
231.06471	0.1
241.04950	1.6
245.04462	0.2
259.06006	0.2
263.05505	0.2
269.04477	0.8
287.05487	100.0
288.05814	2.6
288.08377	0.1
308.17261	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	287.0544
Annotation	Fisetin
Peak:m/z	Relative Intensity
53.03937	0.2
53.56442	0.1
55.01857	0.2
55.05489	0.2
65.03934	0.3
67.01856	1.0
67.05476	0.2
68.99442	0.2
68.99786	1.6
69.03406	0.3
69.30431	0.6
69.30856	0.8
79.05482	0.3
81.03434	0.2
81.07047	0.3
89.03911	0.4
91.05458	0.4
93.07032	0.2
94.76935	0.1
95.01311	0.6
95.08583	0.4
97.10145	0.2
100.95438	0.2
105.03365	0.3
105.06982	0.3
105.29222	0.2
107.04948	0.3
107.08559	0.2
109.02876	0.2
109.10131	0.2
111.00771	0.4
111.04385	0.3
115.05447	0.3
117.03371	0.3
117.06996	0.2
119.04932	2.0
119.08598	0.2
121.02853	7.0
121.06487	0.2
123.00784	2.9
125.02364	0.2
128.06177	0.4
129.01825	0.2
129.06995	0.4
131.04916	0.4
133.02823	0.3
135.04414	2.6
135.08084	0.3
137.02361	0.9
137.06001	0.3
141.01820	0.4
141.06993	0.2
145.02814	0.5
145.06474	0.3
145.10069	0.2
147.04414	0.5
147.11601	0.2
149.05962	0.3
151.00214	0.4
151.07469	0.2
152.06221	0.2
153.01814	7.7
153.06967	0.2
157.06441	1.2
161.02299	0.5
163.07521	0.4
165.01802	0.8
165.06934	0.2
166.07832	0.2
167.08606	0.7
169.01324	1.8
169.02689	0.2
169.06398	0.2
171.02878	0.5
171.04413	0.6
171.07898	0.2
179.03447	0.3
181.06458	0.2
183.02890	0.4
185.05965	0.9
187.02324	0.3
189.05408	0.8
195.08040	0.8
195.13722	0.1
197.06058	0.3
203.03424	0.2
203.07011	0.3
213.05437	2.2
217.05037	0.7
223.03819	0.2
223.07574	0.4
227.06984	0.4
227.10689	0.7
231.06583	0.8
241.04929	7.6
242.05540	0.2
245.04440	2.0
255.06686	0.3
255.10085	0.9
258.05173	0.5
259.05908	0.8
269.04419	3.2
287.05466	100.0
288.05835	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	287.0545
Annotation	Luteolin
Peak:m/z	Relative Intensity
57.07061	0.2
64.99722	0.2
67.01860	2.2
67.05447	0.2
68.99780	2.1
72.32407	0.2
76.03992	0.3
78.37863	0.2
79.05477	0.5
87.46883	0.2
89.03910	0.5
91.05468	0.3
95.08592	0.4
96.11057	0.2
105.07001	0.5
107.04945	0.5
107.08562	0.4
111.00797	0.3
111.04429	0.3
117.03364	0.6
119.08549	0.3
121.10160	0.2
125.02329	0.3
127.03893	0.2
129.01826	0.6
133.10132	0.2
135.04401	4.4
135.11549	0.2
137.02328	1.6
153.01817	12.5
161.02321	2.5
171.02887	3.3
171.04288	0.4
179.03391	0.5
203.03287	0.4
203.18088	0.2
208.71002	0.2
213.05519	0.7
219.06468	0.3
241.04913	1.6
243.10199	0.2
245.04405	0.3
268.20114	0.2
269.04434	0.9
269.19022	0.2
286.30936	0.4
287.05475	100.0
287.19998	0.7
287.31525	0.3
288.05798	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	285.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	2.2
51.17808	1.9
53.03950	4.4
55.01870	6.1
55.05509	29.4
57.03436	53.5
59.04993	2.3
64.68587	2.1
65.03934	2.4
67.05502	47.1
69.03429	6.8
69.07072	10.6
69.69269	13.6
71.04996	11.7
79.05067	3.8
79.05492	38.2
81.02933	4.8
81.03417	100.0
81.07054	57.5
83.04974	23.3
83.08618	35.0
85.02906	94.9
87.04466	3.3
91.04916	3.8
91.05479	60.0
93.07043	30.1
93.80716	2.4
95.04970	46.7
95.08602	23.0
97.02877	6.1
97.06529	6.7
97.10159	4.2
99.08073	2.7
105.07023	35.4
107.04948	14.7
107.08594	9.5
109.06507	9.1
109.10165	7.1
111.04456	6.5
111.08089	22.3
113.05998	6.8
115.05421	2.9
117.07005	2.8
119.08582	33.7
121.10160	21.4
123.08073	6.4
123.11700	3.5
125.09644	2.8
129.07031	17.9
131.08556	20.4
133.06477	5.1
133.10138	20.8
135.08051	2.3
137.09674	2.7
142.07837	5.1
147.08086	3.4
147.11678	32.0
149.07544	2.2
149.09621	9.9
157.10120	24.8
165.06993	4.2
165.12743	5.2
167.08360	2.5
175.11163	31.9
193.12244	89.6
203.03372	5.5
210.06783	2.4
211.13287	62.5
225.09158	4.7
242.00104	2.4
253.08681	8.2
257.04395	23.1
267.15948	7.6
285.11316	10.9
285.16977	69.6
286.17142	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	285.2211
Annotation	11Z-3,4-didehydro-retinol
Peak:m/z	Relative Intensity
55.05507	23.1
57.90385	10.6
67.05505	37.3
69.07068	65.7
70.63849	30.4
70.64206	10.8
79.05501	21.0
81.07053	69.4
83.08639	15.7
90.45206	9.4
91.05481	36.9
92.51229	10.6
93.07055	37.2
95.04955	13.4
95.08603	47.0
96.97044	9.3
97.06580	14.7
101.39950	9.6
105.07043	73.6
107.08588	54.5
109.06508	38.0
109.10133	48.9
119.08588	100.0
121.06499	24.5
121.10155	51.1
123.11708	26.5
131.08553	25.5
133.10132	64.5
135.11719	24.9
143.08591	15.1
145.10130	36.3
147.11691	35.0
159.11674	18.4
161.09598	95.0
161.13292	11.0
175.14857	83.7
177.16406	14.4
185.13249	15.6
193.15952	14.5
197.13269	18.2
203.17979	11.8
211.14830	18.3
225.16341	15.1
267.21216	16.3
285.07538	27.0
285.22067	75.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.0
55.01869	7.6
55.05504	22.4
57.03438	50.6
67.05502	40.4
69.03429	8.2
69.07066	15.3
70.09358	12.8
70.64754	2.6
71.04985	16.6
79.05492	43.1
81.03419	100.0
81.07055	58.1
83.04989	20.9
83.08630	38.9
85.02904	82.2
85.06528	3.0
91.05481	55.2
93.07043	32.0
95.04961	49.6
95.08607	22.2
97.02877	6.0
97.06522	7.7
97.10146	4.3
99.08028	2.6
105.07031	41.5
107.04958	10.2
107.08591	13.6
109.06524	8.5
109.10163	7.7
111.04391	5.8
111.08076	21.3
113.06013	5.6
117.07033	4.9
119.08589	39.9
121.10136	17.8
123.08070	5.5
123.11687	4.4
125.09615	3.4
129.07010	13.7
131.08571	17.8
133.06520	6.2
133.10124	20.1
137.09683	3.1
139.03949	3.0
142.07770	4.9
145.10106	3.2
147.08049	6.9
147.11665	24.7
149.09645	12.5
157.10112	24.6
165.07080	9.1
165.12755	7.4
173.39206	2.5
175.11192	25.7
179.08783	4.8
193.06512	3.6
193.12242	98.7
209.10197	3.1
210.06812	3.5
211.13274	59.2
221.05962	5.5
223.11565	3.3
225.09254	9.9
229.14296	3.8
239.06870	2.9
242.05777	3.2
253.08574	19.2
257.04590	4.9
267.15909	3.4
285.07703	6.9
285.11359	16.5
285.16974	59.6
286.17307	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	285.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.7
55.01876	3.5
55.05510	29.3
57.03437	56.4
65.58006	1.7
67.05504	41.2
69.03434	9.2
69.07064	13.8
71.04991	11.0
79.05489	39.6
81.03419	100.0
81.07056	46.0
83.04993	18.5
83.08621	36.3
85.02906	89.5
85.06553	2.3
89.19360	1.6
91.05480	45.3
93.07040	27.9
95.04961	35.9
95.08611	18.6
97.02866	4.8
97.06531	16.9
97.10143	4.6
99.04427	2.3
103.05478	2.3
105.07028	34.4
107.04968	6.9
107.08580	13.5
109.06524	8.7
109.10172	6.1
111.04444	4.6
111.08076	20.3
113.06005	6.5
117.07011	4.1
119.08585	24.7
121.06505	2.8
121.10159	15.5
123.08045	4.1
123.11694	3.2
126.69497	1.7
128.06224	2.0
129.07007	13.7
131.04941	2.6
131.08578	15.3
133.06479	4.4
133.10141	12.2
135.08054	2.4
137.05974	3.6
137.09627	4.6
145.10109	2.7
146.03612	4.4
147.08049	4.4
147.11694	23.4
149.05945	3.1
149.09619	8.1
154.07777	2.3
157.10106	21.6
159.62753	1.7
161.05988	10.2
163.07579	2.6
165.07034	13.6
165.12756	6.5
171.08017	2.3
175.11195	26.9
181.06464	3.4
182.07239	6.7
187.03926	2.2
193.06491	10.9
193.12251	88.8
195.47980	1.9
199.07555	3.2
203.03125	2.1
210.06747	12.3
211.13290	60.9
221.05960	14.9
222.06761	2.3
225.09059	32.3
227.06987	2.8
229.36429	2.6
238.06323	3.5
239.07063	3.3
241.12227	3.9
243.06508	7.4
253.08618	47.9
254.09161	3.1
257.04300	2.6
270.38889	1.7
285.07724	4.8
285.11319	37.8
285.17081	44.7
285.25287	3.8
289.70078	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	285.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	6.4
55.01861	5.3
55.05513	27.0
55.22977	2.2
57.03435	62.3
57.07059	3.8
58.33408	2.2
62.64529	2.2
63.00018	2.2
67.05505	43.5
67.05864	1.8
69.03423	6.2
69.07066	15.2
71.04971	9.0
71.35187	1.9
72.87777	2.1
79.05074	3.8
79.05491	40.6
80.73177	2.0
81.03417	97.0
81.06611	3.1
81.07057	60.2
83.04976	20.7
83.08159	3.1
83.08616	41.7
84.65707	2.3
85.02905	100.0
85.06540	3.9
87.04504	2.7
90.96668	2.0
91.04911	3.1
91.05476	58.0
93.07046	27.9
95.04396	3.2
95.04968	48.6
95.08606	24.4
97.02875	6.0
97.06486	7.8
97.10136	5.9
98.98430	2.7
105.07024	37.2
107.04908	7.1
107.08576	16.7
109.06467	9.6
109.10143	4.1
111.04424	4.5
111.08073	20.2
113.05967	9.6
115.05451	3.0
117.06982	2.7
119.08572	34.1
121.10149	16.5
123.08016	3.9
123.11670	4.7
125.09612	5.0
129.06999	15.8
131.08553	14.8
133.06435	5.6
133.10124	10.4
137.09566	3.6
145.10042	4.3
147.07997	7.0
147.11661	27.8
149.09622	10.2
157.10126	26.1
163.11214	2.2
163.75002	2.1
165.12708	6.2
175.11165	32.4
177.59200	2.6
193.12248	98.3
194.12556	2.6
196.91968	2.3
211.13289	73.6
228.73703	2.9
229.67363	2.1
242.05724	4.6
253.08627	5.7
257.04407	5.0
270.05032	2.5
285.07443	9.1
285.11102	6.8
285.16898	73.8
285.21637	3.3
285.29788	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	285.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.9
55.01855	1.1
55.05510	4.7
57.03165	0.5
57.03431	8.4
57.07047	0.5
65.03920	0.4
67.05144	0.3
67.05497	6.6
68.99783	0.3
69.03398	1.3
69.07062	1.8
69.64151	1.7
71.04993	2.0
79.05489	7.6
81.03412	14.3
81.07048	9.5
82.00588	0.3
83.04568	0.3
83.04985	3.6
83.08161	0.4
83.08618	5.4
84.04472	1.2
85.02902	14.1
85.06526	0.6
89.57207	0.4
91.05476	8.3
93.07040	4.4
95.04960	6.5
95.08601	4.2
97.02881	0.9
97.06506	1.3
97.10143	0.6
99.04430	0.4
105.03382	0.4
105.07024	7.0
106.04156	0.7
107.04936	1.7
107.08596	2.2
109.06481	1.4
109.10135	1.3
111.04453	0.7
111.08074	3.5
113.05980	0.8
115.05450	0.7
117.06992	0.7
119.08569	5.8
121.06497	0.3
121.10133	2.9
123.08018	0.8
123.11685	0.7
124.01502	0.7
128.06184	0.3
129.07001	2.5
131.08554	2.8
133.06459	0.9
133.10115	2.8
137.05991	0.6
137.09592	0.3
141.06949	0.6
142.07748	0.6
145.10138	0.7
146.03615	1.2
146.40895	0.3
147.08066	0.6
147.11671	4.5
149.09645	1.5
153.00581	0.5
153.01811	8.2
153.06932	0.8
154.07707	0.5
157.10117	3.3
160.05109	0.3
161.05968	3.1
165.06995	4.0
165.12697	1.2
170.14096	0.3
171.02982	0.3
175.11179	4.0
179.08665	0.3
181.06383	0.7
182.07201	1.5
183.08249	0.4
184.05212	0.7
193.06465	4.0
193.12230	14.1
201.05478	0.7
203.03400	0.8
210.06760	3.1
211.07452	0.6
211.11348	0.6
211.13283	8.3
212.04582	0.5
213.05472	0.8
221.06003	4.0
222.06656	0.3
225.09103	9.6
229.04938	15.2
229.14305	0.4
238.06273	1.2
239.06950	0.8
241.08768	0.4
242.05673	2.7
253.08597	13.9
254.09137	0.7
257.04471	7.2
258.05225	72.8
267.15988	0.6
270.05170	2.7
270.08481	0.7
285.04297	0.3
285.07571	5.2
285.11200	9.2
285.16943	9.7
285.21835	0.6
286.04697	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57896	2.3
53.03945	2.8
53.11046	2.5
54.16165	2.9
55.01858	3.2
55.05508	32.2
57.03438	59.3
57.07077	18.4
63.00017	2.7
65.03907	3.4
67.05500	41.5
69.03419	8.6
69.07070	16.0
70.63908	7.4
70.64302	4.4
71.04991	12.5
71.08619	11.9
79.05487	44.8
81.03415	88.1
81.06603	3.4
81.07054	58.5
83.04983	21.4
83.08617	38.1
85.02905	100.0
85.06544	2.7
85.10181	4.2
87.84476	2.4
87.96539	2.4
91.05474	50.7
93.07040	29.2
95.04974	39.8
95.08601	26.8
97.02885	3.7
97.06535	7.2
97.10155	8.1
98.64173	3.0
99.08085	3.6
105.07033	35.6
107.04922	6.6
107.08600	14.0
109.06499	8.6
109.10145	9.7
111.04466	3.4
111.08061	20.8
113.06010	9.7
115.05463	2.8
119.08578	30.1
121.06517	3.1
121.10146	17.2
123.08053	3.9
123.11700	7.0
125.09618	2.9
129.07004	18.1
131.08566	23.4
133.06450	4.4
133.10126	19.1
142.07794	2.8
147.08044	5.9
147.11679	31.2
149.09610	11.2
157.10118	20.7
163.11099	2.8
163.38539	2.6
165.12724	8.7
175.11180	29.3
192.67314	2.7
193.12247	97.3
206.99449	2.4
211.13295	69.6
225.09270	2.9
229.21547	3.2
242.05534	4.6
253.08673	3.0
285.07629	7.0
285.11966	3.9
285.16980	70.1
285.24200	28.0
285.29636	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.7
53.63548	2.7
55.01871	4.6
55.05511	24.0
57.03440	54.5
57.07057	10.3
63.88956	2.8
67.05505	44.5
69.03421	6.5
69.07071	15.5
71.04982	10.3
71.08625	6.5
71.52929	3.5
79.05495	31.8
81.03416	93.0
81.07049	51.5
83.04971	20.1
83.08615	30.9
83.62368	3.6
85.02905	90.2
85.06529	4.1
85.10170	3.3
91.05482	40.9
93.07042	25.9
93.72204	3.0
95.04964	42.3
95.08604	25.3
97.02924	4.6
97.06527	6.1
97.10155	8.7
105.07032	39.5
107.04974	6.2
107.08591	13.8
109.06493	4.1
109.10146	7.8
111.04374	3.9
111.08079	19.0
113.06004	9.7
117.06969	3.4
119.08584	31.2
121.10145	18.0
123.08061	6.8
123.11713	7.4
123.25956	3.1
129.07008	11.2
131.08568	19.0
133.06496	6.4
133.10135	19.7
137.09567	5.0
139.59512	3.2
142.07729	5.2
147.08173	3.4
147.11684	28.6
149.09607	14.6
157.10103	21.0
165.12704	5.3
175.11195	26.1
193.12253	100.0
211.13312	70.6
242.05710	8.4
253.08563	8.9
258.05298	3.6
285.07703	15.8
285.10782	3.1
285.16864	51.3
285.24225	9.1
285.30157	3.6
286.04572	5.3
294.85037	3.1
300.44391	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	285.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	5.4
54.14826	1.6
55.01857	5.9
55.05509	18.2
55.67730	1.5
57.03167	2.2
57.03438	35.8
60.63364	1.8
65.03928	2.2
67.05186	2.3
67.05504	26.7
69.03415	5.8
69.07077	12.5
69.18830	1.9
71.04972	9.7
73.02908	1.7
79.05492	28.6
81.03417	100.0
81.07047	34.4
83.04978	16.2
83.08614	35.6
84.06096	1.7
85.02905	54.6
85.75143	1.9
88.51848	1.7
91.05482	35.3
91.58596	1.9
92.20580	1.9
93.07043	19.7
95.04969	35.8
95.08614	13.1
97.02866	4.8
97.06536	3.7
97.10152	3.0
105.07031	27.9
107.04967	9.9
107.08584	8.4
109.06510	9.8
109.10120	5.7
111.08077	16.5
113.06015	4.5
116.79689	2.2
117.06982	2.5
119.08589	26.4
121.10149	13.3
123.08064	4.9
123.11671	4.6
127.81518	1.7
129.07014	12.5
131.08574	13.5
133.06526	3.1
133.10138	9.4
137.09534	3.7
142.07784	3.1
145.10106	4.2
146.03638	2.7
147.08037	4.7
147.11691	22.7
149.09608	7.4
153.06937	3.2
157.10138	19.3
161.05972	5.9
165.07051	11.3
165.12720	6.4
175.11182	20.5
181.06512	2.8
182.07219	5.3
193.06488	8.0
193.12238	75.1
194.12645	3.6
199.07474	2.3
210.06778	6.0
211.07376	2.5
211.13284	43.2
211.15279	2.8
221.05891	10.7
225.09122	10.3
229.04871	2.4
229.14296	4.1
238.06261	1.9
240.47403	1.8
253.08623	19.3
257.04425	6.9
267.10095	4.1
267.15875	7.6
285.07953	3.1
285.11334	23.0
285.16965	36.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.4
55.01868	4.7
55.05508	14.8
57.03437	24.3
61.02927	1.5
63.00032	2.0
65.03938	1.6
67.05505	28.0
69.03414	6.4
69.07060	8.9
69.43757	10.9
71.04994	9.2
73.06593	1.3
77.37759	1.6
79.05494	25.5
81.03416	100.0
81.07056	36.4
83.04973	10.3
83.08620	30.1
85.02906	41.8
85.03340	0.9
85.06539	2.7
87.04462	2.7
91.05477	32.0
93.07047	20.5
95.04967	34.4
95.08600	13.0
97.02891	6.1
97.06558	7.2
97.10164	4.0
99.08081	1.7
103.05452	2.3
105.07023	28.6
106.15321	1.8
107.04955	7.6
107.08593	12.8
109.06499	9.5
109.10175	8.1
111.04447	2.1
111.08078	12.2
113.06011	4.3
115.05399	3.4
117.07041	1.8
119.04951	1.9
119.08582	20.1
121.06504	2.8
121.10146	12.8
123.08067	4.0
123.11699	2.5
125.06054	1.7
127.03938	2.2
128.06233	2.4
129.07018	10.6
131.08577	13.6
133.06473	4.3
133.10121	9.8
135.08037	2.9
135.11708	2.3
137.05984	3.8
137.09622	4.1
139.11186	2.0
142.07771	3.9
143.08569	3.8
145.10129	4.0
146.03539	2.7
147.08008	4.6
147.11674	22.2
149.09608	6.6
151.07533	1.9
153.06979	3.2
154.07741	2.7
157.10120	17.0
161.05983	10.3
163.11284	2.6
165.06987	14.1
165.12776	6.7
169.06531	2.0
175.11185	19.0
177.12819	1.6
179.08614	2.0
181.06479	5.3
182.07281	6.0
187.07582	1.8
189.16409	1.5
193.06511	13.3
193.12242	65.9
194.07278	2.5
195.07993	1.9
197.09659	1.8
199.14822	2.9
203.03368	10.7
209.06003	1.4
210.06757	9.4
211.07489	2.4
211.13289	34.4
213.05417	1.5
221.05925	15.7
222.42381	1.3
224.08333	2.5
225.09108	25.1
227.07021	3.2
229.04872	8.3
229.14397	6.8
237.05447	1.6
238.06198	3.4
239.07089	2.6
241.04811	1.8
242.09509	2.0
249.14676	2.4
252.07877	2.2
253.08623	36.6
254.09409	2.4
255.06546	2.4
257.04453	42.5
258.05142	4.9
259.08490	2.4
267.10147	4.8
267.15863	9.2
270.08868	5.3
271.40735	1.4
285.04044	4.8
285.07663	7.9
285.11227	40.7
285.16882	30.5
285.22174	5.6
286.04721	2.9
286.11581	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.9
55.01862	4.4
55.05507	26.3
57.03162	3.3
57.03434	57.8
57.07055	3.2
65.03934	3.0
67.05503	48.5
69.03407	6.4
69.07066	14.6
69.20396	25.4
71.04991	14.2
79.05493	37.8
81.03416	88.8
81.06599	4.7
81.07049	54.5
83.04993	19.2
83.08615	28.9
85.02902	94.8
85.06531	3.1
87.04449	2.8
91.05480	49.8
93.07035	30.9
95.04961	36.5
95.08614	24.9
97.06504	4.6
97.10110	5.0
98.98455	2.9
105.07027	39.5
107.04931	10.6
107.08593	14.2
109.06496	8.3
109.10126	7.6
111.04440	3.7
111.08083	20.1
113.05997	7.4
115.05395	2.2
117.06947	2.7
119.08581	30.9
121.10167	19.0
123.08050	2.5
123.11681	6.1
125.09538	2.6
129.07019	16.1
131.08580	17.5
133.06444	2.8
133.10141	17.4
137.09641	4.2
145.10085	5.4
147.08017	5.5
147.11707	25.4
149.09642	10.0
157.10124	22.6
165.06982	4.0
165.12737	6.8
171.01396	4.7
175.11165	26.9
175.50273	2.3
193.06335	2.4
193.12241	100.0
201.02654	2.4
211.13281	74.3
225.09109	3.8
242.05702	3.8
253.08536	8.7
256.67459	2.6
285.07520	10.6
285.11084	4.6
285.16882	55.9
285.33463	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	285.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.4
55.01870	6.5
55.05512	24.7
55.31849	2.8
57.03435	46.4
57.07064	3.5
67.05505	38.0
69.03398	5.8
69.07075	13.4
69.24994	6.7
69.25393	29.6
70.92239	2.6
71.04981	12.2
79.05491	34.9
81.03416	96.3
81.07059	42.8
83.04980	19.2
83.08619	34.7
85.02907	92.9
85.06541	5.0
91.05486	37.0
93.07049	36.7
95.04949	38.3
95.08611	17.3
97.02881	4.7
97.06505	6.4
97.10155	6.1
98.20766	4.5
105.07030	37.4
107.04946	9.0
107.08604	13.9
109.06491	10.0
109.10141	5.8
111.08087	19.0
113.05969	7.3
119.08581	32.2
121.06513	4.9
121.10123	12.7
121.10902	3.3
123.08038	4.5
123.11676	4.4
125.09591	3.1
129.06972	12.8
131.08534	13.4
133.10112	17.6
135.04420	44.3
135.05460	4.3
137.09625	4.6
143.08519	3.9
147.07933	4.1
147.11688	26.4
149.09644	6.3
152.33098	2.6
157.10147	22.4
165.06961	4.0
165.12666	3.5
173.03580	3.5
175.11191	23.4
184.80753	2.9
190.96201	3.4
193.12242	100.0
195.65854	2.8
211.13289	70.8
221.06081	3.2
225.09117	3.5
228.92963	2.9
242.05862	3.8
253.08586	10.2
257.04395	11.2
267.15787	2.8
285.07535	13.0
285.11230	17.9
285.16916	60.2
285.22144	7.7
285.29810	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	285.1122
Annotation	Mollugin
Peak:m/z	Relative Intensity
52.88396	0.7
55.05532	0.8
65.69740	0.7
69.36044	1.3
69.36446	4.4
71.35582	0.6
79.05542	1.4
81.03464	1.6
81.07068	1.1
86.09757	1.0
91.05489	1.6
95.04981	1.5
95.08634	1.5
103.05501	0.7
105.07047	1.6
107.04990	1.3
110.71806	0.6
111.04520	0.8
115.19883	0.7
118.04205	0.9
133.06505	1.3
137.05956	3.5
141.07033	2.0
146.03607	8.8
147.04431	1.2
147.11670	0.7
153.06992	3.4
154.07805	3.1
161.05981	23.8
161.07265	1.5
162.06792	1.2
164.06245	1.0
165.05600	1.7
165.07002	36.1
166.07675	1.2
168.05713	0.8
177.07147	1.5
179.08568	2.2
181.06429	6.8
182.07283	14.1
183.08063	1.3
183.21727	0.9
192.05663	1.2
193.06488	26.0
193.12265	1.5
194.07323	4.3
195.08096	1.8
196.08873	0.9
197.05968	1.2
197.09668	2.1
199.03964	0.8
199.07570	2.0
207.08044	2.1
209.06021	2.6
210.04742	1.4
210.06763	27.7
211.07411	3.8
221.05984	27.1
222.06726	2.1
223.07690	1.2
224.08334	1.7
225.09102	72.3
226.06326	0.7
226.09538	0.8
227.07019	3.9
229.04929	1.4
238.06279	10.4
239.06970	5.7
241.08604	1.1
242.05775	1.0
242.09413	1.9
253.08607	100.0
254.09303	6.8
255.06662	1.7
257.11731	1.2
258.05289	3.4
267.10220	2.3
270.08871	6.1
285.07751	4.2
285.11197	75.7
286.04691	2.3
286.11584	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1332
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68214	1.5
53.03940	1.8
55.01868	4.5
57.03426	5.5
63.00039	1.5
65.03937	1.6
67.05508	2.1
71.04978	1.8
71.50552	1.3
71.50967	2.0
75.04466	2.4
79.05483	7.3
81.03411	3.9
85.02898	1.8
85.09071	1.3
90.60571	1.3
91.05479	21.4
93.03395	1.9
93.07029	4.3
95.04955	4.4
103.05457	5.0
105.03386	4.6
105.07027	21.7
106.04133	1.9
107.04953	10.8
108.05704	1.4
109.06522	4.6
115.05462	3.6
118.04162	2.9
119.04935	21.1
121.02855	1.4
121.06512	10.1
122.06046	1.4
122.07327	1.3
123.04457	1.8
123.08056	1.8
125.02328	2.6
125.05943	2.5
131.04904	1.7
131.08534	1.5
133.06487	15.6
134.03607	3.7
135.04424	6.1
136.05203	6.9
137.05949	3.8
139.03885	1.7
140.04707	10.2
143.04901	1.2
146.03629	1.5
147.04408	5.3
147.06316	2.3
149.05997	16.6
150.06693	1.7
151.07533	17.5
151.09436	1.8
152.04663	2.5
153.05461	100.0
154.05769	1.8
161.05988	38.5
165.05511	3.1
165.06946	3.2
167.07034	18.3
168.07820	80.6
169.08109	1.4
177.05478	3.7
177.07483	1.3
178.06264	1.6
179.07037	9.0
179.09003	3.4
181.08578	6.2
183.08177	1.3
193.06744	2.4
193.08606	34.6
193.10376	1.8
196.07301	72.8
197.07837	1.7
200.76765	1.2
209.08044	6.2
210.06758	2.7
211.07797	2.0
211.09650	51.0
221.05981	3.7
221.09915	1.4
223.11525	4.6
225.07158	1.4
225.09009	6.5
241.12651	2.8
253.08635	8.5
253.12634	14.0
267.10434	3.7
285.07587	7.9
285.11444	13.0
285.15005	3.0
289.21338	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1119
Annotation	Mollugin
Peak:m/z	Relative Intensity
50.63866	0.8
55.01860	1.0
55.05492	3.0
57.03428	4.7
67.05483	4.0
70.98473	2.4
71.04980	1.2
79.05493	5.9
81.03422	8.3
81.07067	6.8
83.04958	2.3
83.08586	3.5
85.02898	7.9
91.05492	6.3
93.07026	3.3
95.04955	3.8
95.08577	4.0
97.06540	1.4
103.05466	1.3
105.07040	6.7
107.04960	2.4
107.08537	1.8
109.02794	0.9
109.06503	1.6
109.10116	1.1
111.08060	2.6
119.08566	4.1
121.10111	1.3
123.04347	1.3
129.06985	1.6
131.04871	1.5
131.08563	1.5
133.10081	2.0
137.05951	4.3
146.03650	8.4
147.11693	3.4
153.01837	4.7
153.06979	3.5
154.07726	3.5
157.10088	1.9
161.05984	23.6
165.07002	30.2
167.08644	1.2
175.11165	3.8
177.06914	1.1
178.07744	1.3
179.08566	3.3
181.06514	8.8
182.07269	13.8
183.07863	1.2
193.04848	1.6
193.06479	26.6
193.12247	6.8
193.67073	1.0
194.07262	2.3
195.08130	1.4
196.05255	1.2
197.05942	1.0
197.09578	2.8
198.79370	1.0
199.07588	2.4
203.03453	1.8
207.08046	1.3
209.05945	3.5
210.04744	1.4
210.06737	26.1
211.07449	3.2
211.13284	5.3
213.05334	1.4
221.05963	32.7
222.06735	1.6
223.07494	1.3
224.08342	2.2
225.09100	75.4
226.09589	1.8
227.06972	4.0
229.04968	7.6
237.05368	1.3
238.06232	8.8
239.06958	5.3
241.08598	1.6
253.08594	100.0
254.09378	6.7
255.06526	2.1
257.04419	9.0
257.11548	1.2
258.05215	27.1
267.10184	4.1
270.05371	1.0
270.08810	5.1
285.07751	6.0
285.11185	80.0
285.16852	4.1
285.24319	1.5
286.04718	36.2
286.11285	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1118
Annotation	Mollugin
Peak:m/z	Relative Intensity
53.03936	1.5
55.01852	1.7
59.47126	0.7
63.00057	0.9
65.03918	0.9
67.05486	2.0
69.03430	1.3
70.06592	1.4
71.04978	1.2
71.50675	1.0
79.05476	3.0
81.03408	2.6
81.07043	1.2
84.08128	0.7
85.02899	1.5
89.59013	0.8
91.05486	4.0
93.07020	1.4
95.04962	7.1
95.08602	1.2
97.02896	1.3
97.06511	0.9
103.05473	1.9
105.07028	7.4
107.04939	2.8
107.08588	0.7
109.02855	1.7
109.06529	0.9
115.05434	1.5
116.51879	0.8
117.07019	1.1
119.04941	1.0
119.08547	1.8
121.06495	1.9
123.04422	4.3
125.02277	1.7
125.05917	0.9
127.03934	1.2
128.06252	0.9
129.06990	2.6
131.04918	1.2
131.08644	1.1
133.02847	1.9
133.06476	5.3
135.04425	2.0
137.05983	3.5
145.06473	1.6
146.03609	4.7
147.04434	1.7
147.08043	3.7
149.05983	1.6
151.03915	9.1
151.07590	1.4
151.09386	0.9
153.05533	1.7
153.06972	3.3
153.11014	1.2
154.07722	1.9
157.06444	2.3
159.04424	2.0
161.05984	18.6
162.06786	0.9
163.03911	2.7
163.09666	0.8
165.05591	1.7
165.06999	28.4
167.08577	1.0
168.05711	1.0
169.04910	1.2
169.06419	0.9
171.70909	0.7
175.07616	3.7
177.05513	1.4
177.06970	1.0
179.08690	1.9
181.06494	5.1
182.07254	11.2
183.04602	0.9
186.15529	0.9
191.07019	1.9
193.06493	27.8
193.08315	1.6
194.07228	3.0
195.08096	0.8
196.05305	1.0
197.04385	0.8
197.06001	1.0
197.09528	1.4
203.06953	2.1
209.06012	2.7
209.22122	0.8
210.06767	19.7
211.07544	4.1
211.11662	2.1
221.06001	30.5
221.08057	3.3
222.06682	1.1
224.08336	0.9
225.09111	40.3
227.07068	2.1
238.06232	11.4
239.06987	3.7
239.09161	1.3
242.05685	1.3
249.07553	1.8
253.08607	100.0
254.09251	5.6
255.06494	2.2
267.08585	1.5
270.08939	4.3
284.29507	1.1
285.07639	6.3
285.11194	38.5
285.14243	2.1
285.21832	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0967
Annotation	globosumone C
Peak:m/z	Relative Intensity
53.00297	1.0
53.03939	6.2
55.01877	5.4
55.05494	2.1
57.03440	1.3
57.30402	1.2
65.03928	1.5
66.13557	1.1
67.05493	16.6
69.03437	6.2
70.06624	1.1
70.96214	2.6
71.04984	4.1
73.02925	2.6
73.75715	1.0
77.03925	1.4
79.05489	23.1
81.02978	2.0
81.03414	17.4
81.07053	8.7
83.01330	2.8
83.04977	1.8
84.08116	1.2
85.02913	1.8
87.04456	5.0
89.18413	1.2
91.05479	32.6
93.07063	6.4
95.04964	84.2
95.08589	7.5
95.53671	1.1
97.02885	7.2
99.04436	2.9
100.11247	1.4
103.05471	10.0
105.03388	8.9
105.04499	1.7
105.07028	38.3
107.04948	21.1
107.08599	2.1
109.02882	4.7
109.06497	6.5
111.04396	1.1
115.03933	3.3
115.05434	6.8
116.06232	2.2
117.07018	7.8
119.04925	2.8
119.08584	19.1
121.06499	10.0
123.04416	39.3
123.08047	4.5
124.07655	1.2
125.02340	26.0
125.05965	2.4
127.03896	3.9
128.06229	9.4
129.07001	31.9
131.04929	8.0
131.08571	9.6
132.05658	2.1
133.02855	19.2
133.06483	32.0
135.04401	13.8
135.08040	2.6
137.05983	2.7
137.09586	1.4
141.05438	2.1
141.06999	3.7
143.04953	1.5
144.05722	1.6
145.06470	8.1
147.04420	2.6
147.07152	0.7
147.08035	39.6
149.05972	14.0
151.03893	100.0
151.07484	8.7
152.04228	1.1
153.05460	20.1
154.05994	1.3
155.06070	1.9
157.06465	21.6
159.04410	17.4
159.08073	4.0
161.02356	7.9
161.05969	15.2
163.07425	1.4
165.05618	2.1
165.07028	2.6
165.09132	2.0
169.04961	19.5
173.05962	3.0
175.07533	31.8
177.05493	14.4
177.09055	1.6
179.03368	4.4
179.07014	7.2
185.05966	13.4
187.07597	2.5
191.06935	1.2
193.06664	1.7
193.08621	8.7
193.10271	1.5
193.12195	1.5
195.06511	2.4
197.04398	13.1
197.05936	1.5
197.08054	2.1
203.07027	32.6
205.08559	1.3
209.09930	1.2
210.06628	1.2
211.07553	1.1
211.11603	1.1
213.05444	5.8
215.05484	2.1
221.06065	2.6
221.08060	35.0
221.10184	2.3
225.09125	2.4
231.06522	8.5
239.06990	1.5
239.09120	19.9
249.07544	21.9
253.08601	3.0
253.12674	8.4
267.08606	24.8
267.11151	2.1
285.07205	2.5
285.09677	4.8
285.15231	5.2
285.24167	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
68.41319	0.3
71.24834	0.7
71.25195	0.3
79.05466	0.9
83.21733	0.3
91.05472	0.9
91.45942	0.3
103.05470	1.0
105.07034	0.4
115.05451	0.6
117.05756	0.8
117.07002	0.4
118.06532	1.7
120.04483	0.3
120.08131	0.5
124.80512	0.4
130.06525	2.2
131.04904	0.6
131.07318	0.9
132.08055	0.8
134.05989	0.5
136.07581	0.6
139.24275	0.3
143.07278	0.4
144.08122	1.9
146.05997	3.9
148.07555	0.7
158.05997	1.0
160.07587	0.7
162.09172	0.6
164.07051	2.0
172.07576	4.7
176.07109	1.8
178.05029	0.5
178.08644	5.3
180.06540	0.4
188.07176	0.3
190.08664	2.9
192.06612	0.4
196.09682	3.4
199.85631	0.3
204.06630	3.5
204.10202	12.3
206.08084	0.5
207.08844	0.4
216.06534	0.7
218.08101	5.1
222.08034	1.6
222.11249	20.9
223.11674	0.5
234.07599	0.7
236.09175	25.4
237.09534	0.5
248.09146	1.6
251.07893	0.6
252.08707	1.0
254.10242	24.6
266.10220	6.6
284.11288	100.0
285.11682	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13639	0.3
67.38105	0.3
70.57484	1.0
71.01346	0.5
71.29688	0.3
79.05490	0.8
91.05487	0.8
103.05414	0.4
105.07030	0.5
115.05500	0.6
117.05772	0.8
117.07024	0.7
118.06551	2.1
120.08064	0.8
130.06517	2.9
131.04880	0.5
131.07341	0.9
132.08112	0.6
134.06004	1.0
134.09554	0.4
143.07263	0.6
144.08093	2.7
146.06010	4.6
148.07559	0.8
152.05763	0.5
158.06009	0.8
160.07605	0.8
162.09117	0.5
164.07039	1.3
172.07573	5.8
176.06993	1.7
178.04976	0.6
178.08627	5.5
186.05484	0.7
190.08620	3.3
191.09418	0.4
192.06468	0.6
194.08083	0.5
196.09673	3.8
204.06590	4.2
204.10194	14.4
204.12119	0.8
206.08156	0.5
207.08946	0.7
214.00986	0.3
216.06534	0.6
218.08073	6.1
219.08421	0.3
220.09692	0.6
222.07645	1.4
222.11241	20.6
234.07643	0.9
236.09166	26.4
237.09595	0.4
238.07172	0.5
238.10860	0.3
239.07912	0.4
248.09265	2.0
252.08662	1.5
254.10234	25.0
255.10712	0.4
266.10260	6.0
284.11276	100.0
285.11728	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	284.099
Annotation	NSC19994
Peak:m/z	Relative Intensity
52.47448	0.2
55.01871	0.2
56.38210	0.2
56.96546	0.5
57.03421	0.5
65.17811	0.2
69.03419	0.3
70.74481	0.4
70.74842	0.3
73.02890	0.2
81.03382	0.2
81.04020	0.2
85.02907	0.5
97.02896	0.4
98.97033	0.2
98.97585	1.1
101.00882	0.3
109.05119	0.5
110.03537	2.4
116.98604	1.0
119.01883	1.0
128.04613	1.0
135.03024	4.3
136.01488	0.2
136.06195	0.2
137.02988	0.5
152.05670	100.0
153.04083	6.0
153.05135	0.2
153.06068	0.6
162.92497	0.2
177.00949	2.0
201.02531	0.3
204.10284	0.3
217.04121	0.4
219.01964	2.7
220.02155	0.4
222.11331	0.5
225.01024	0.3
236.09169	0.5
236.99437	0.2
238.10745	0.4
243.02084	0.6
254.10197	0.5
261.03040	13.5
262.03201	1.1
279.00400	0.9
284.04617	0.6
284.11362	2.4
284.29471	0.3
302.01151	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32531	0.4
54.10294	0.4
69.96317	2.4
69.97529	0.4
79.05477	0.6
85.02908	0.5
87.04449	0.7
91.05444	0.9
94.06573	0.5
98.21542	0.4
98.97569	0.4
103.05443	0.9
106.06538	0.6
107.07323	0.5
108.08011	0.5
115.05468	0.6
117.05711	0.7
118.06523	1.4
119.01929	0.9
120.08089	1.8
130.06532	2.7
131.01894	0.7
131.04924	0.6
131.07271	1.1
131.51926	0.5
132.08087	0.7
133.05136	0.4
134.05984	0.7
136.07651	0.6
137.01880	1.0
137.02852	0.4
143.07251	0.6
144.08061	1.6
145.08734	0.4
146.06010	4.1
148.07513	0.8
151.09908	0.8
152.02368	0.8
152.05681	3.8
158.05972	1.0
160.07603	0.7
162.05457	0.4
162.09143	1.0
164.07068	1.6
166.08549	0.9
172.07564	5.2
173.02937	0.8
173.53073	0.5
176.07063	1.4
178.08627	6.0
180.06541	0.6
190.08618	3.4
192.10159	3.4
194.08141	0.5
196.09676	2.8
200.14938	0.5
204.06596	3.4
204.10194	13.3
205.10455	0.4
207.08913	0.8
218.08145	4.7
222.07991	2.2
222.11238	19.3
234.07726	0.8
236.09174	28.4
238.10747	5.2
240.08698	0.5
248.09286	1.2
252.08687	1.3
252.12286	0.6
254.10226	23.8
261.02979	1.0
266.10214	5.5
284.11276	100.0
285.11572	1.9
285.14502	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2054
Annotation	11Z-6s-cis-fixed bicyclic retinal
Peak:m/z	Relative Intensity
50.58674	1.9
52.03154	1.6
53.03950	2.8
55.05505	11.7
57.03429	3.8
57.07079	4.7
57.46711	2.2
58.22412	1.6
63.93919	1.5
67.05504	18.5
69.03421	5.9
69.07063	15.0
71.04975	5.7
74.00780	1.6
75.69386	1.4
79.05495	15.8
81.07057	29.5
83.04974	3.3
83.08606	6.8
89.06016	2.0
90.76279	1.9
91.05478	21.3
93.07043	31.6
95.04954	10.2
95.08599	21.4
97.06523	5.8
97.10143	2.1
105.07029	49.3
107.08584	31.8
109.06513	8.2
109.10150	16.8
111.08064	2.4
115.05478	3.2
117.07020	11.2
119.08584	33.1
120.36321	2.0
121.06499	11.2
121.10143	62.6
123.08060	6.0
123.11729	9.3
125.09660	2.8
128.06227	5.9
129.07002	7.3
130.07791	2.6
131.08565	29.6
133.10130	28.7
135.08043	12.4
135.11685	9.5
137.09612	1.9
141.06992	3.0
142.07744	5.3
143.08537	16.7
144.09338	4.6
145.06450	2.4
145.10118	34.7
146.07246	3.2
147.08011	4.0
147.11687	10.8
149.09653	3.3
149.13214	1.8
155.08519	7.0
156.09326	7.7
157.10155	21.8
158.10883	6.7
159.08086	5.2
159.11668	14.0
160.12463	3.2
161.09601	22.5
161.13245	3.9
163.11165	5.6
163.14818	1.7
165.07068	3.1
167.08571	4.2
169.10103	6.2
171.08067	2.2
171.11716	15.0
172.08968	1.7
173.09656	4.0
173.13266	49.2
175.11198	3.9
175.14835	6.0
179.08559	5.8
180.09337	2.6
181.10135	4.9
183.11664	6.4
185.09651	3.8
185.13219	12.0
187.11140	2.1
187.14828	9.2
189.12669	3.0
191.14261	2.5
193.10237	3.9
194.10919	6.8
195.11679	9.1
197.13248	6.5
199.11186	3.5
199.14819	9.3
201.12712	3.0
201.16425	4.1
207.11668	2.5
208.12369	3.6
209.13245	14.4
210.13988	3.8
213.12756	4.2
213.16405	4.5
223.14816	10.6
223.74184	1.9
225.16368	6.5
227.14334	9.0
229.20180	2.1
235.14922	2.1
237.16228	2.7
250.17152	1.8
255.21054	8.1
258.35477	1.6
265.19467	26.7
283.20560	100.0
284.20932	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	283.2056
Annotation	11Z-6s-cis-fixed bicyclic retinal
Peak:m/z	Relative Intensity
50.06299	2.7
52.47740	2.8
53.03920	5.1
55.01849	3.6
55.05510	28.1
57.03403	11.3
57.07074	13.4
67.05503	28.6
69.03411	7.2
69.07072	27.5
69.24770	3.5
69.25167	29.4
71.04972	11.2
71.08607	4.4
75.19108	2.6
79.05499	25.8
81.03399	6.0
81.06686	2.5
81.07050	35.7
83.04945	8.2
83.08612	19.4
89.06011	3.4
91.05470	24.9
93.07047	34.1
95.04959	16.7
95.08601	25.3
97.06477	6.6
97.10146	10.9
105.03333	3.9
105.07022	51.8
107.04960	4.4
107.08594	31.3
109.06469	9.3
109.10155	23.5
111.08073	6.5
117.06961	12.2
119.07857	2.7
119.08583	43.8
121.06455	9.6
121.10142	100.0
121.36436	2.8
123.08027	8.1
123.11631	4.1
125.09596	3.6
128.06165	5.1
129.06979	4.4
130.07742	5.4
131.08562	35.6
133.10138	25.8
135.08012	11.1
135.11684	14.0
137.09544	5.3
142.07655	3.7
143.08553	19.1
144.09320	4.4
145.06413	2.7
145.10136	37.1
146.07257	4.3
147.08023	3.2
147.11615	12.0
149.13181	4.7
153.12706	3.4
155.08443	5.4
156.09322	4.9
157.10112	20.3
158.10828	8.4
159.11697	16.1
161.09618	25.5
161.13193	5.7
163.11185	14.6
165.89131	2.4
166.07727	3.1
169.10077	9.4
170.11018	3.5
170.55774	3.4
171.11633	11.3
173.09587	6.8
173.13252	52.8
175.11156	4.2
175.14767	10.4
179.08588	4.3
181.10110	5.7
183.11630	6.8
185.13266	7.7
187.14680	8.4
193.10016	4.6
194.10855	4.8
195.11594	7.6
197.13162	7.5
199.14709	6.8
201.16249	5.0
209.13370	13.7
211.14738	3.3
213.12599	3.1
223.14702	8.1
225.16441	3.3
227.14230	7.4
239.17932	4.6
242.41000	3.0
251.17554	2.7
255.20987	8.7
265.19531	17.3
283.20413	92.9
284.20718	4.3
289.01532	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	283.1903
Annotation	Gallicynoic acid C
Peak:m/z	Relative Intensity
53.03946	14.7
55.01876	32.3
55.05515	80.1
57.03437	45.2
57.07060	10.6
59.04970	7.9
67.05505	70.2
69.03417	12.6
69.06792	6.0
69.07069	57.1
71.04980	11.2
71.08644	10.9
71.21608	5.6
71.50832	9.3
79.02196	5.1
79.05493	85.0
81.03403	26.3
81.07061	97.3
83.01335	16.2
83.04990	47.3
83.08611	56.7
85.02895	10.3
85.06529	9.1
91.05478	64.7
93.07042	100.0
95.04961	33.0
95.08599	69.1
97.02863	10.3
97.06522	23.6
97.10147	26.8
99.04453	9.3
99.08092	11.7
105.03339	13.9
105.07034	31.6
107.04932	25.9
107.08590	52.7
109.06509	28.8
109.10149	17.3
111.04427	17.4
111.08068	22.2
113.09558	6.1
114.30590	6.0
115.05415	6.2
117.07005	26.5
119.04864	10.4
119.08578	40.6
120.77802	6.8
121.06517	18.3
121.10154	43.0
123.08066	39.0
125.05999	6.1
125.09631	31.4
129.07031	9.4
131.08546	21.8
133.06473	6.6
133.10060	18.2
135.08054	22.2
135.11707	32.5
135.29297	6.7
137.09592	17.2
143.08563	7.3
145.10156	45.7
147.08012	8.9
149.09587	24.6
151.07501	8.3
153.09102	13.4
153.12758	15.0
159.01543	5.5
162.09148	7.6
163.03891	6.2
163.11205	70.7
169.10040	7.7
173.09674	9.1
179.10641	7.8
181.12140	11.0
183.11713	6.0
189.91705	6.0
191.10709	23.8
195.10217	7.1
201.16365	17.0
209.11703	25.0
215.86293	5.6
219.17410	16.9
223.07381	6.2
227.12578	11.2
229.15852	10.8
237.50044	6.3
247.17017	37.9
265.17932	27.5
283.09653	17.1
283.15570	60.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.19
Annotation	Gallicynoic acid C
Peak:m/z	Relative Intensity
53.03946	3.9
55.01870	30.4
55.05508	75.3
57.03428	16.8
60.79113	1.5
61.21594	1.6
67.05503	25.8
69.07063	26.0
69.14525	1.6
70.20159	2.9
70.20538	2.4
71.01363	2.2
71.04981	5.5
76.25323	1.7
79.05488	56.0
81.03411	10.9
81.06590	3.2
81.07045	39.8
82.32804	1.7
83.01337	8.5
83.04976	17.8
83.08613	100.0
85.02887	6.9
85.80431	1.6
88.56361	1.6
91.05470	51.5
93.07032	80.9
95.04948	9.0
95.08603	20.8
97.02901	2.7
97.05996	1.6
97.06502	9.1
97.10149	4.8
99.04447	12.1
105.07007	22.7
107.04934	11.4
107.08586	85.0
109.06485	9.4
109.10157	9.8
111.04436	12.9
111.08070	25.7
115.05380	1.8
117.07007	33.4
119.08574	23.9
121.06489	4.9
121.10131	25.7
123.08052	7.4
125.05988	2.3
125.09614	27.2
131.08560	20.6
133.06438	2.0
133.10130	13.5
135.08020	12.9
135.11658	19.3
137.09627	15.5
139.11194	9.2
143.07025	2.9
145.10115	23.7
147.11673	4.5
149.09608	29.3
153.09102	26.5
153.12750	6.6
155.08533	2.8
158.71637	1.9
159.11679	8.3
161.13246	3.4
163.11151	23.3
165.09108	4.0
167.10663	5.4
173.09634	3.7
173.13225	7.0
175.14873	2.9
177.09068	4.5
179.10515	1.9
181.08632	4.8
181.12282	5.7
191.10649	5.5
191.17958	1.8
195.10205	3.8
201.16365	38.5
209.11720	8.0
219.17422	95.3
227.12784	7.4
229.15868	5.8
247.16908	23.7
265.17896	18.8
283.09534	1.8
283.15390	29.9
283.18988	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	Decumbenone B
Peak:m/z	Relative Intensity
53.80129	6.1
55.01865	14.2
55.05497	19.5
57.03422	7.7
67.05502	51.1
69.07063	41.8
70.47366	24.2
71.05012	7.9
78.32889	7.2
79.05499	35.4
81.03443	9.1
81.07051	46.4
83.04968	16.6
83.08611	15.9
89.06024	8.7
91.05486	36.3
93.07043	46.3
95.04956	19.3
95.08605	36.6
97.06477	11.4
105.07038	35.0
107.04965	17.3
107.08587	20.6
109.06517	9.8
109.10151	11.9
111.04442	10.3
111.08139	10.1
117.07047	12.9
119.08568	22.7
121.06520	10.3
121.10132	24.8
131.08528	16.0
133.10132	19.4
135.11661	14.7
145.10109	28.9
147.11639	11.9
149.09605	23.7
159.11661	10.4
161.13307	6.5
163.11105	33.7
179.10619	8.5
191.10625	11.9
191.14273	13.8
219.17390	27.6
231.99591	7.7
247.16846	58.1
265.17941	100.0
283.15500	10.8
287.14166	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	283.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	10.0
54.53885	2.9
55.01874	43.2
55.05510	61.5
57.03439	51.0
57.07080	6.7
59.05002	15.9
63.43057	2.7
65.03933	6.6
67.05501	45.6
69.03423	6.2
69.07072	19.7
69.72637	7.4
69.73068	13.0
71.04993	20.1
79.05074	5.4
79.05494	72.8
81.03416	37.1
81.07051	63.7
83.01337	28.6
83.04988	61.7
83.08614	40.1
85.02910	16.0
85.06560	4.7
85.70615	3.7
91.05476	49.9
93.06489	5.9
93.07037	84.2
95.04958	28.4
95.08604	30.8
97.02904	7.8
97.06519	25.7
99.04456	10.2
100.11253	5.9
102.97061	2.8
103.05473	5.4
105.07022	29.6
107.04960	23.2
107.08586	43.0
109.02882	4.2
109.06514	17.4
109.10141	8.1
111.04442	30.2
111.08079	9.5
113.15930	3.0
115.05472	8.1
116.06252	3.1
117.07013	22.7
119.04948	5.0
119.08587	27.3
121.02870	64.6
121.06536	9.9
121.10142	29.2
123.08070	22.8
123.11726	3.1
125.05954	7.9
125.09623	4.3
128.06232	12.3
129.07016	14.2
130.07790	3.6
131.04916	3.9
131.08568	9.0
133.10126	5.7
135.08086	4.6
135.11682	55.5
137.09633	4.2
139.03828	5.0
141.07053	6.4
143.08588	4.2
145.06483	9.0
145.10114	45.0
147.08046	6.9
149.09604	6.5
151.03955	2.9
151.11237	3.4
152.06221	8.7
153.07018	13.0
153.12733	55.9
155.08569	9.7
157.06500	4.7
159.04413	9.2
163.11165	84.0
165.07031	11.0
166.07751	7.8
167.08636	5.5
169.06445	6.4
169.10222	3.8
171.08018	5.3
173.09650	13.0
181.06453	6.5
181.10428	5.6
181.12181	37.3
185.05986	8.5
191.08652	4.2
191.10683	14.1
194.07272	4.8
195.08124	5.5
197.05997	5.8
209.05869	5.7
209.09801	7.1
209.11763	20.9
211.07585	5.1
213.05458	10.0
222.06743	4.4
223.07712	5.3
227.06989	8.2
227.12775	39.5
229.05220	3.6
237.05368	5.0
237.09146	7.4
240.07741	6.4
243.36842	2.9
251.07060	6.7
253.04886	3.7
255.06570	10.6
255.10220	7.9
265.06796	3.5
268.07440	4.6
283.06149	16.1
283.09720	46.1
283.15451	100.0
283.23630	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	283.1538
Annotation	Qing Hau Sau
Peak:m/z	Relative Intensity
53.03933	8.6
55.01875	40.3
55.05511	69.1
55.49333	2.6
57.03436	62.9
57.07051	6.0
59.04985	9.5
61.05527	3.0
67.05505	43.8
69.03426	5.4
69.07067	16.5
71.01328	5.1
71.04977	11.2
71.10536	6.0
73.21014	2.8
79.05078	4.1
79.05492	68.0
81.03413	37.3
81.06608	3.2
81.07056	55.9
83.01346	38.0
83.04983	59.1
83.08615	39.7
85.02882	11.4
91.05479	41.8
93.07043	87.7
95.04949	24.1
95.08611	28.6
96.31369	3.1
97.02879	8.9
97.06556	17.6
97.10129	4.1
99.04458	8.1
105.07035	28.7
107.04956	25.6
107.08597	37.4
109.06519	23.5
109.10114	8.5
111.04406	15.8
111.08081	7.4
116.60346	2.6
117.07003	21.9
119.08585	19.9
121.06501	14.1
121.10117	27.6
122.92567	2.8
123.04432	5.1
123.08070	22.2
125.05962	4.4
125.09592	3.7
128.06177	3.3
129.06975	8.1
130.07739	4.0
131.08560	9.0
133.10085	6.5
135.08040	5.3
135.11687	50.4
142.71819	2.9
145.06374	4.3
145.10112	52.0
147.08032	6.4
149.05984	2.9
149.09572	5.0
152.54727	3.0
153.12718	19.2
155.08536	3.3
163.11182	93.5
165.09123	3.1
173.05957	3.0
173.09586	10.7
181.12177	21.8
187.30313	2.8
191.10669	15.0
202.70448	2.7
209.11736	25.8
227.12747	20.9
269.10818	3.8
283.06433	4.0
283.09753	9.4
283.15381	100.0
288.27704	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1537
Annotation	Qing Hau Sau
Peak:m/z	Relative Intensity
51.34969	3.5
53.03933	11.4
55.01869	46.7
55.05508	81.2
57.03433	74.0
57.07069	3.9
59.04994	12.0
67.05496	43.0
69.03426	6.4
69.07061	12.6
69.20882	6.9
69.21284	32.2
71.01350	5.5
71.04986	16.1
79.05486	68.2
81.03417	38.7
81.07056	70.0
83.01337	42.5
83.04977	56.7
83.08605	45.6
85.02907	11.4
85.06548	5.6
89.06036	4.7
91.05471	54.5
93.07037	92.5
95.04952	25.0
95.08606	28.6
97.02899	5.7
97.06515	18.2
97.10165	5.4
99.04443	8.9
105.07018	29.8
107.04971	23.8
107.08605	52.8
107.65598	5.4
109.06525	27.3
109.10165	7.8
111.04440	10.2
111.08065	7.1
117.07023	29.0
117.07718	5.0
119.08569	34.4
121.06510	10.6
121.10149	24.2
123.08061	30.1
125.06009	7.0
125.09603	6.1
129.06967	5.1
130.07822	6.1
131.08557	12.1
133.10136	5.3
135.08073	5.7
135.11687	55.8
137.09616	4.0
145.10115	47.5
147.08089	6.5
153.12782	11.7
155.08559	5.7
159.02847	3.3
163.11176	99.1
173.09569	8.7
181.12180	17.5
191.10709	14.2
209.11653	32.2
226.02774	3.5
227.12791	15.1
283.15375	100.0
283.20322	7.2
284.15744	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1538
Annotation	Qing Hau Sau
Peak:m/z	Relative Intensity
53.03934	10.9
55.01623	4.2
55.01872	36.3
55.05510	66.6
55.06861	2.5
57.03161	3.2
57.03436	64.0
57.07076	14.4
59.04985	6.5
59.80072	2.4
61.44680	2.3
62.60527	2.8
67.05505	45.8
67.67377	2.7
69.03441	6.0
69.07066	19.4
69.56533	14.1
71.01343	3.9
71.04985	11.8
71.08607	8.1
76.24640	2.6
79.05489	55.8
81.03413	31.5
81.07054	59.9
83.01341	37.7
83.04974	40.4
83.08624	40.0
85.02899	11.8
85.10202	5.1
85.57113	2.5
89.06017	4.4
91.05483	46.0
93.07043	79.2
94.43658	2.8
95.04960	25.1
95.08612	28.6
97.02887	9.0
97.06554	13.9
97.10163	7.5
99.04453	8.2
103.05434	4.7
105.07037	29.3
107.04949	26.9
107.08598	36.3
109.02872	2.4
109.06506	21.3
109.10127	7.6
111.04422	12.6
111.08058	9.9
117.07011	27.5
118.15377	3.1
119.08574	31.3
121.06521	12.6
121.10149	27.8
123.08067	24.3
124.74703	3.2
125.05965	6.9
125.09583	4.5
128.06241	3.1
129.07048	4.4
130.07774	4.6
131.08571	9.2
133.10109	7.8
135.08047	8.7
135.11673	37.0
136.93060	4.0
137.09619	6.1
139.07466	4.5
143.08611	6.5
145.09047	5.0
145.10114	51.4
145.35484	3.1
146.51262	2.7
147.08052	4.6
147.11662	5.5
149.09602	3.5
153.12732	11.3
154.94167	9.1
163.11174	87.0
167.67410	2.8
172.95262	19.3
173.09619	10.3
175.27763	3.0
181.12189	16.9
190.96286	12.1
191.10667	19.5
209.11705	22.0
227.12767	12.1
228.97862	8.3
246.98987	13.3
283.15393	100.0
283.20535	4.9
285.00604	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	283.1538
Annotation	Qing Hau Sau
Peak:m/z	Relative Intensity
53.03936	8.1
55.01641	3.2
55.01868	41.5
55.05510	78.8
57.03434	58.1
57.07063	5.1
59.04981	9.0
67.05502	37.3
69.07076	12.6
69.17232	2.3
69.77085	2.6
71.01336	5.0
71.04982	12.1
71.21724	4.2
71.22060	3.9
75.98692	2.3
79.05494	63.1
81.03421	32.3
81.07053	58.4
83.01340	40.3
83.04977	39.9
83.08159	3.0
83.08614	37.2
85.02876	11.0
85.06562	3.3
91.05476	43.0
93.07036	80.1
95.04963	24.0
95.08601	32.8
95.75151	2.5
97.02884	5.9
97.06516	15.0
97.10146	4.8
99.04440	6.4
101.45786	2.6
105.07043	28.5
107.04940	26.3
107.08585	37.0
109.06508	24.6
109.10152	4.5
111.04466	6.0
111.08115	5.3
117.07013	24.8
119.08573	27.2
121.06486	7.1
121.10144	25.7
123.08075	25.7
125.05930	4.8
125.09637	5.4
129.06961	6.2
130.07750	3.3
131.08530	10.4
133.10130	4.6
135.08061	5.6
135.11687	44.9
139.07504	4.0
145.06454	4.7
145.10112	48.0
147.08075	4.1
149.09625	4.2
153.12762	17.4
155.08540	6.1
163.11172	100.0
163.12550	5.2
163.62770	2.5
173.09601	15.1
181.12238	17.8
191.10660	12.6
209.11719	25.3
227.12752	14.5
235.93141	3.3
270.79370	2.6
283.15366	94.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	10.3
55.01871	44.1
55.05510	89.7
57.03431	71.5
57.07065	7.1
59.04980	12.5
66.01735	2.4
67.05505	45.9
69.03426	5.5
69.06738	3.3
69.07045	16.4
71.04973	14.0
78.87844	3.5
78.91323	3.4
79.05489	74.0
81.03411	39.6
81.07047	73.8
81.15801	2.8
83.01332	41.7
83.04979	52.4
83.08620	42.7
85.02893	13.1
85.06512	6.2
91.05476	48.5
93.07040	99.0
95.04964	25.7
95.08594	33.7
97.02867	5.6
97.06535	19.6
97.10152	4.5
98.20772	5.9
99.04446	8.8
105.07026	33.2
105.27258	3.3
107.04951	26.0
107.08587	51.8
109.06527	28.5
109.10143	11.6
111.04442	14.1
111.08083	7.1
113.06023	3.1
117.07011	27.8
119.08567	30.4
121.06490	18.9
121.10129	35.5
123.08057	30.9
125.06005	6.5
125.09671	5.2
129.06981	6.9
130.07793	3.9
131.08531	11.1
133.10112	8.0
135.08028	5.9
135.11681	49.4
137.09560	3.3
143.08542	3.7
145.10121	54.1
147.08026	8.8
153.12709	13.5
155.08522	5.5
163.11163	100.0
170.52469	3.0
173.09697	15.1
181.12196	18.4
191.10693	11.5
209.11638	26.3
209.13324	4.2
227.12732	22.1
283.15329	90.4
283.20245	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	283.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.8
55.01874	45.4
55.05511	78.4
57.03439	70.6
57.07089	6.8
59.05000	15.4
61.52570	3.7
65.03929	4.0
65.11624	3.8
66.14257	3.8
67.05502	45.4
69.07059	21.7
70.02911	3.8
71.01342	4.0
71.04990	16.1
79.05490	76.8
81.03407	36.2
81.07055	72.4
83.00909	4.7
83.01347	46.5
83.04972	55.4
83.08623	49.6
85.02901	9.8
89.06039	15.0
91.05478	50.0
93.07045	86.0
95.04964	28.0
95.08591	28.5
97.02873	9.4
97.06524	17.9
97.10143	4.5
99.04470	11.2
100.12104	4.3
105.07024	37.4
107.04237	4.3
107.04941	21.3
107.08606	43.4
109.06536	26.2
109.10175	9.1
111.04443	13.7
111.08064	9.4
117.06993	19.8
119.08588	32.3
121.06525	13.0
121.10137	33.3
123.08098	24.6
125.06010	8.9
128.47934	3.9
129.06976	6.1
130.07797	8.7
131.08595	15.3
133.08626	4.6
133.10146	10.3
135.08046	7.6
135.11684	49.4
143.08650	5.9
145.10136	52.8
147.08003	6.1
153.12740	16.1
155.08560	4.9
163.11180	94.0
173.09624	15.1
181.10814	4.2
181.12187	23.6
183.11607	4.1
191.10701	12.6
198.43549	4.2
198.71541	4.8
209.11694	27.0
209.13408	4.9
227.12735	22.1
283.15466	100.0
283.20218	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.081
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.7
53.03946	10.1
55.01871	7.1
55.05530	1.3
57.07070	1.7
65.03941	7.4
67.05499	10.5
68.99796	1.4
69.03433	8.2
69.07045	1.3
69.74666	5.3
71.01347	1.5
71.04982	3.6
73.02892	1.3
77.03924	2.3
79.05491	21.9
80.46713	0.9
81.03416	4.3
81.07053	5.7
82.15702	0.9
83.01324	1.5
83.04971	1.2
85.02896	1.0
89.06026	8.2
91.05477	29.5
91.95983	1.1
93.03402	3.6
93.06443	0.5
93.07038	24.8
95.04964	100.0
95.08602	3.6
96.05260	1.1
97.02888	7.9
97.06573	1.0
103.05464	17.4
105.03399	3.8
105.04510	3.7
105.07015	12.9
107.04951	34.3
107.08602	3.6
109.02904	4.3
109.06515	12.9
109.10098	0.9
111.04428	3.6
115.05457	9.7
117.07017	28.3
119.04932	3.3
119.08566	5.7
121.02859	26.6
121.03870	1.3
121.06503	37.6
123.04421	29.9
123.08065	1.6
125.02347	65.8
125.05942	1.4
127.05408	1.2
128.06212	3.3
129.06990	10.7
131.04929	10.8
131.08562	2.6
132.05692	1.1
133.02870	1.8
133.06500	4.1
133.08598	2.0
135.04436	5.1
135.08080	8.7
137.05956	2.2
139.03888	5.7
139.07645	1.2
145.06487	29.3
145.07640	1.5
145.10149	1.1
146.06984	0.9
147.04404	4.1
147.06329	1.7
147.08046	8.1
149.02328	24.1
149.05972	38.1
151.03896	71.8
151.07553	1.8
153.05463	12.1
153.06636	1.5
155.04893	2.0
155.06058	3.7
157.06479	3.5
159.04430	10.3
161.06007	1.7
163.03835	1.4
163.07538	16.0
165.01833	1.8
165.05501	2.6
167.03395	17.2
167.07060	2.8
169.04950	4.9
173.05969	27.0
175.03889	3.3
175.07538	7.4
177.05453	14.7
178.08655	1.8
179.07080	1.0
179.08908	2.7
181.04971	2.2
183.04405	1.2
189.05348	1.4
191.07031	23.8
192.07422	1.3
193.05022	2.1
195.02910	8.1
195.04880	1.3
195.06490	10.0
197.08032	1.0
201.05467	15.9
208.07439	1.2
209.08128	2.0
213.03932	8.1
219.06525	17.8
219.08525	1.6
223.07817	1.2
224.09161	1.1
229.04979	1.8
237.07535	4.9
238.58192	1.0
247.06001	11.2
250.10895	1.2
251.11090	8.3
251.74255	1.0
265.07013	12.8
283.08026	9.5
283.13718	15.5
283.20416	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1197
Annotation	N6-Methyladenosine
Peak:m/z	Relative Intensity
51.22397	0.3
52.22340	0.3
52.92445	0.3
55.01830	0.3
56.96562	3.7
57.03399	1.2
60.18005	0.3
61.02903	0.5
68.99532	0.3
69.03429	1.6
71.01348	0.4
71.95230	1.0
73.02905	0.7
73.71671	0.3
80.05045	0.3
80.33361	0.3
81.03381	0.9
83.04958	0.3
84.08113	0.4
85.02901	3.7
87.04466	12.1
90.21677	0.3
91.05476	0.8
97.02892	1.6
98.97579	24.2
99.04423	0.4
101.00906	0.4
107.04938	0.4
109.02966	0.3
109.05087	0.8
113.03468	0.4
116.98616	19.2
117.05714	0.5
118.06532	1.0
119.01891	1.0
120.04451	0.5
120.08094	0.7
127.03884	0.6
128.98615	0.6
131.01849	0.6
133.05061	0.9
134.09598	0.6
134.99652	9.9
136.07524	0.3
137.02956	0.4
137.06003	1.1
138.06267	0.4
140.00175	0.5
146.06000	3.7
147.04279	0.4
149.01163	0.4
150.07741	100.0
151.08105	0.6
152.07086	0.7
153.00723	1.8
156.36887	0.3
158.01382	0.6
161.02910	0.5
163.03961	0.4
164.07048	2.5
166.08669	0.8
167.07071	0.3
169.04369	0.4
173.01357	0.3
173.03024	0.3
177.00842	0.9
178.08621	8.4
185.03073	0.4
188.55856	0.4
196.09691	11.2
208.04961	0.6
219.02078	1.3
220.02107	0.8
221.04976	0.4
234.99806	0.8
236.09256	0.8
237.02798	0.4
240.98840	1.1
245.05164	0.4
258.99759	9.7
259.02432	0.5
260.00034	0.6
277.00809	23.5
278.01184	1.1
282.01334	0.6
282.13455	26.3
283.13956	0.6
300.02530	1.4
300.05930	0.3
301.01022	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67141	1.6
53.03954	1.7
55.01849	3.7
56.96553	4.2
57.03417	6.7
57.07060	1.9
60.56701	1.5
61.02924	8.5
64.61288	1.7
66.38765	1.6
67.05524	1.8
69.03426	17.2
69.07056	1.9
70.80164	2.9
70.80508	2.1
72.08156	2.6
73.02911	4.6
81.03397	5.6
85.02906	85.6
85.06548	16.4
85.20824	1.5
87.04473	44.4
88.03987	1.9
91.03937	7.1
91.05447	2.3
97.02890	18.4
98.97598	4.6
99.04421	5.6
107.85384	1.6
109.02866	7.6
116.98651	4.2
118.06552	4.9
120.08102	2.9
121.08460	1.6
127.03928	22.9
136.06161	4.9
136.07614	2.5
145.04959	49.9
146.06032	15.1
150.07755	22.4
158.06635	1.7
159.06831	1.5
163.06020	11.6
164.07040	6.9
174.04419	2.2
177.00696	2.1
178.08652	29.7
186.72447	1.8
193.03178	5.8
196.09686	38.9
204.05426	2.0
229.10646	4.1
252.12569	3.2
270.13712	3.6
282.13376	100.0
300.06293	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	282.0136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.3
56.96563	5.6
57.03420	0.9
57.96625	0.3
61.02912	0.7
61.90477	0.3
69.03415	1.0
70.06586	0.4
71.49619	0.5
71.95253	0.8
73.02901	0.8
74.66029	0.3
81.03414	0.7
85.02888	2.2
86.09615	0.3
87.04471	3.4
95.01266	0.3
97.02910	1.6
98.97578	29.4
109.02867	0.6
109.05119	0.5
116.98618	25.7
119.01894	1.2
120.04431	0.5
127.03922	0.5
128.98619	0.4
131.01929	0.7
132.81358	0.3
133.05064	0.8
134.99654	14.2
137.05989	0.5
140.00244	0.5
143.01955	0.4
145.03435	0.4
146.06010	1.2
150.07742	100.0
152.05682	1.3
153.00728	2.2
153.03981	0.3
157.01685	0.4
158.01195	0.7
158.99611	0.4
161.02956	0.6
164.07043	0.9
174.02997	0.4
174.97737	0.6
177.00888	1.3
178.01010	0.5
178.08583	2.6
179.55331	0.4
188.55869	0.6
192.98669	0.4
196.09743	2.8
203.00322	0.4
210.72099	0.3
216.98546	0.4
219.02043	2.8
220.02112	1.0
232.06676	0.6
234.99611	0.8
237.02808	0.3
240.98549	1.5
257.04785	0.3
258.99744	13.3
277.00784	29.7
278.00998	1.2
282.01251	0.7
282.13181	5.7
300.02118	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1748
Annotation	3,4-Epoxy-6-methylcyclohexylmethyl-3,4-epoxy-6-methylcyclo-hexanecarboxylate
Peak:m/z	Relative Intensity
53.03934	6.5
55.01870	21.1
55.05519	18.4
57.03428	10.7
57.07062	5.3
65.03928	4.5
67.05183	3.8
67.05504	42.7
67.67746	2.6
69.03416	5.5
69.07069	98.2
70.07919	10.1
71.04985	10.5
73.06536	11.6
78.01075	2.6
79.05495	67.7
81.03422	35.9
81.07054	100.0
83.04987	11.5
83.08610	6.5
85.02893	8.6
85.06535	2.6
91.05477	47.1
93.06491	3.3
93.07043	46.4
95.04981	19.4
95.08610	41.0
97.02898	4.6
97.06535	29.0
97.10192	4.4
99.04443	5.0
99.08088	9.6
104.03799	2.2
105.07040	30.0
107.04964	14.8
107.08594	46.3
109.06524	24.4
109.10149	16.4
111.04446	7.1
111.08067	5.8
117.07024	15.1
119.08581	33.8
121.06506	9.4
121.10142	19.1
123.04434	3.5
123.08070	33.0
123.11699	4.4
125.05973	9.8
125.09640	17.1
129.07028	11.6
131.08566	15.4
133.06529	6.6
133.10124	10.8
135.07101	2.5
135.08051	13.0
135.11607	5.4
137.09625	19.5
139.07494	4.3
139.11205	4.1
142.07903	2.9
143.07040	32.4
143.08556	6.5
145.10112	7.2
147.08078	16.0
147.11736	6.2
149.02359	2.4
149.09639	20.3
151.07550	5.9
153.07962	2.8
153.09105	33.5
154.13718	2.2
157.10114	8.0
159.07983	4.8
159.11757	4.6
161.05951	2.7
161.08124	5.8
161.09625	8.5
161.13351	2.7
163.11201	10.4
165.09125	32.1
171.11688	6.5
177.09119	9.1
181.08583	8.8
183.10152	4.1
189.16464	3.1
195.10135	4.2
199.09727	2.8
199.14813	16.6
209.15260	2.7
217.15857	18.9
227.14229	3.0
244.51672	2.3
245.15404	25.7
263.16458	40.2
281.07990	5.9
281.11642	17.6
281.17441	18.6
299.05975	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	281.1747
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03949	9.8
55.01867	6.1
55.05513	38.1
57.03437	29.8
57.07063	2.1
59.64579	1.3
65.03954	3.3
67.05507	81.7
69.03415	2.0
69.07069	15.2
70.48445	2.8
71.04985	3.0
73.06556	2.5
79.05497	100.0
81.03426	16.3
81.07058	66.2
83.04985	32.6
83.08611	11.6
85.02894	1.4
85.06548	3.9
91.05483	69.3
91.27060	1.4
92.62201	1.4
93.07047	66.1
95.04977	29.5
95.08608	38.6
95.09183	2.9
97.02910	2.7
97.06535	6.5
97.10192	4.4
99.08075	1.8
103.05461	2.4
105.04517	1.5
105.07040	48.9
107.04990	9.2
107.08598	21.0
109.06521	8.9
109.10144	9.3
111.08114	3.0
113.09588	1.6
115.05461	2.8
117.07027	11.5
119.08587	29.5
121.06499	4.3
121.10168	6.7
123.08090	7.3
127.07571	1.4
129.07013	18.1
131.08557	3.4
133.06441	1.9
133.10152	14.0
135.11708	2.6
142.07724	1.4
143.08568	10.5
143.42555	1.4
145.10153	11.4
147.08008	3.4
147.11700	38.2
147.12828	2.9
147.58638	1.3
156.09392	1.7
159.11703	1.9
161.09599	4.8
161.13271	14.0
163.11201	1.5
171.11697	25.3
173.05975	1.7
179.14348	2.5
189.12767	10.9
199.07466	2.0
207.13765	11.4
263.06561	1.5
263.16266	2.0
281.12192	2.6
281.15259	2.5
281.17566	33.5
281.28296	1.7
299.06158	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1745
Annotation	3,4-Epoxy-6-methylcyclohexylmethyl-3,4-epoxy-6-methylcyclo-hexanecarboxylate
Peak:m/z	Relative Intensity
50.86264	3.5
51.64862	2.7
53.03930	5.5
55.01873	15.2
55.05507	27.6
57.03415	5.5
57.07071	5.8
58.77832	3.0
67.05507	45.5
68.05851	2.9
69.03399	4.4
69.07062	23.8
69.43693	9.5
69.44117	15.7
71.04974	5.3
71.08614	4.2
79.05067	5.2
79.05489	57.5
81.03482	3.4
81.07051	100.0
83.01313	5.0
83.04964	8.7
83.08597	12.3
85.02876	3.3
85.06529	3.9
91.05471	30.2
93.07039	44.4
95.04960	21.5
95.08604	60.8
97.02863	5.2
97.06519	11.9
97.10155	5.0
99.08062	7.7
105.07022	32.1
107.04940	10.8
107.08578	19.6
109.06503	10.7
109.10143	12.6
111.04424	8.6
111.08092	20.1
117.07005	8.9
119.08574	17.0
121.06486	13.6
121.10115	8.0
122.88322	3.0
123.04491	3.9
123.08057	46.8
125.05913	4.0
125.09576	5.4
128.06209	4.8
129.06989	7.0
131.08530	14.4
133.06456	8.6
133.10149	16.3
135.08064	15.4
135.11690	3.8
137.09573	6.5
139.07503	17.7
141.09016	5.1
143.08571	9.9
145.06445	4.3
145.10088	8.7
147.08043	14.4
147.11652	8.1
149.02345	4.2
149.05960	3.6
149.09634	8.7
151.07536	28.9
151.11221	3.5
157.10109	7.5
159.08084	5.1
161.09576	14.0
163.11174	3.6
165.09091	14.8
171.11693	4.0
174.75317	3.0
175.11171	6.3
179.10675	8.2
181.08569	9.1
189.09059	4.0
189.16296	6.9
195.10161	9.4
199.14799	12.3
203.10521	3.3
207.10150	5.8
207.17462	3.9
217.15897	15.9
227.14389	3.9
235.16914	28.5
245.15370	18.1
263.16376	27.8
281.17395	29.9
281.26727	32.1
299.06107	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	281.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40988	0.7
55.01866	1.7
55.05495	2.5
57.03439	22.6
57.07066	2.2
65.03939	0.9
67.05505	14.9
68.22102	0.6
69.03425	1.3
69.07075	3.2
71.04981	2.6
71.08624	1.2
79.05502	4.3
80.65054	0.7
81.03413	0.9
81.07066	4.7
83.04942	0.8
83.08613	2.4
85.06546	25.5
86.52993	0.6
91.05443	3.6
91.72821	0.6
93.07037	3.8
95.04967	26.1
95.08616	3.4
97.06532	2.6
97.10167	0.7
105.07029	2.9
107.04929	2.1
107.08588	2.5
109.06491	3.6
109.10151	1.8
113.06006	100.0
114.06345	0.7
117.07015	1.7
119.08585	2.6
121.10139	2.1
123.04434	0.8
123.08070	1.1
125.05974	1.3
129.07060	1.9
131.08595	1.6
133.06488	0.6
133.10135	1.7
135.08084	3.5
143.08577	1.3
145.10121	2.1
147.08099	1.5
147.11707	0.8
149.02484	0.7
149.09651	2.4
151.07535	0.8
159.08031	0.7
161.05948	0.8
161.09586	0.8
161.13284	0.8
163.11188	1.0
165.09134	1.8
167.33131	0.6
168.82568	0.7
171.11726	1.9
173.09616	1.3
181.08617	0.8
189.12730	1.9
190.59930	0.7
191.10722	3.1
199.14774	1.0
203.06909	0.7
217.15866	1.8
227.14336	1.6
235.07613	0.8
245.15395	8.9
259.20309	0.7
263.16388	5.8
266.99976	0.8
281.08075	2.0
281.11722	3.4
281.18768	0.8
283.03088	0.8
299.06213	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	281.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92596	2.2
53.03942	7.7
55.01871	22.5
55.05519	18.7
57.03437	12.8
57.07070	2.3
59.04968	2.1
65.03954	2.9
66.57024	2.4
67.05133	3.1
67.05500	48.4
69.03431	6.5
69.07069	82.3
71.04983	5.3
71.11307	4.4
71.65097	2.2
73.06543	5.6
79.05492	66.9
81.02998	2.9
81.03424	33.8
81.07050	100.0
83.04989	11.2
83.08600	6.5
85.02896	9.2
85.06559	4.6
87.04466	17.7
91.05475	53.6
92.16938	2.4
93.07035	46.6
95.04971	23.0
95.08608	40.3
97.06527	29.2
99.04431	4.0
99.08086	8.0
105.07027	34.5
107.04975	12.0
107.08587	48.5
109.06510	25.8
109.10145	11.4
111.04439	6.3
115.05398	2.6
115.07574	2.7
117.07044	12.1
119.08590	35.6
120.08094	2.3
121.06532	5.6
121.10150	16.7
123.08065	38.3
123.11671	2.8
125.05959	12.0
125.09646	23.1
128.06212	3.7
129.07027	15.6
131.08571	13.0
133.06482	6.9
133.10132	11.6
133.43944	2.8
135.08049	10.2
135.11700	5.4
137.09601	21.7
139.11159	4.5
143.07034	27.8
143.08542	12.6
145.10139	9.9
147.08012	15.3
147.11697	10.5
149.09630	16.8
149.47357	2.5
151.07515	3.8
153.09094	28.5
157.06349	2.2
157.10138	7.2
159.11690	4.9
161.08069	8.8
161.09579	4.9
163.11116	5.7
164.07062	6.6
165.07024	2.7
165.07753	4.0
165.09099	35.3
166.08629	5.8
171.11691	6.2
173.13242	3.6
177.09138	5.5
178.07661	2.3
179.07253	2.2
180.06445	2.7
181.04968	3.7
181.06575	2.2
181.08562	6.4
189.05338	3.3
189.12680	3.7
189.16235	3.4
191.10721	2.8
195.07982	2.8
195.10074	3.6
196.09657	20.1
199.09717	2.3
199.14835	16.5
203.14246	2.7
217.15887	22.8
221.07921	3.8
227.14308	2.8
237.07382	2.7
237.09628	7.6
238.10269	8.4
239.10817	3.1
245.15382	30.0
259.04190	2.2
263.16400	31.1
281.08212	6.9
281.11792	24.9
281.17545	23.0
282.13306	29.4
299.06058	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	281.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	10.1
55.01855	7.6
55.05511	40.1
57.03209	2.6
57.03437	29.6
57.07059	6.9
59.50919	1.7
63.06822	1.9
65.03926	5.5
67.05505	87.9
67.97060	1.7
69.03423	3.1
69.07068	28.5
71.04984	4.4
71.08632	9.6
71.49986	2.6
72.04504	2.1
73.06567	2.6
79.05491	100.0
81.03416	16.9
81.07054	78.4
81.07534	3.8
83.04514	1.9
83.04980	37.4
83.08610	15.4
83.39104	1.7
85.06538	4.6
85.10165	1.7
87.04464	9.5
91.05479	80.0
93.07041	74.5
95.04385	2.6
95.04967	37.8
95.08608	54.5
97.06523	8.7
97.10164	9.7
99.08102	3.1
103.05466	2.5
105.07030	52.5
107.04964	13.7
107.08595	26.7
109.06510	11.7
109.10152	12.8
115.05430	3.0
116.58831	2.0
117.07007	12.8
119.08585	36.2
121.02891	3.3
121.06506	4.4
121.10139	7.5
123.08083	12.4
123.11694	5.0
125.05949	2.0
125.09612	2.5
127.07520	2.7
129.07005	24.7
131.08528	5.6
133.06497	3.6
133.10138	16.5
134.10457	1.9
135.08037	2.4
135.11671	3.8
137.06003	2.7
137.09631	2.9
143.08577	9.2
145.10126	13.4
147.08043	5.7
147.11691	40.8
149.02351	2.4
149.13263	2.1
151.07506	2.4
161.05954	2.8
161.09579	6.4
161.13246	20.1
164.07115	4.9
165.06964	2.4
165.09135	2.9
166.08618	4.3
171.11687	29.8
179.14268	1.9
181.06516	2.8
189.12729	12.4
190.15242	2.0
196.09657	7.5
207.13777	15.8
210.06680	1.9
221.07899	2.8
235.07520	3.5
238.06204	3.5
244.54199	1.6
253.08606	2.4
263.16434	4.2
264.42477	1.9
266.05670	2.7
281.08035	11.0
281.11609	18.4
281.14789	3.6
281.17493	42.1
281.28421	6.4
282.13403	16.1
299.06140	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	281.1746
Annotation	brefeldin A
Peak:m/z	Relative Intensity
53.03942	4.6
55.01868	19.2
55.05514	17.1
57.03434	6.9
57.07074	7.0
67.05499	25.0
69.07070	20.6
70.82742	7.2
71.05006	7.5
71.08620	4.1
79.05486	41.0
81.03429	7.0
81.07053	100.0
83.04992	9.7
83.08660	5.1
85.02901	13.0
91.05472	33.2
91.05949	3.4
93.07043	41.0
93.07581	4.2
95.04952	13.3
95.08592	27.7
97.06544	6.4
97.10196	10.0
97.53893	2.7
105.07024	18.0
107.04973	5.1
107.08587	27.9
109.06515	63.4
109.10159	12.0
111.04430	5.4
113.50931	2.9
117.07034	10.6
119.08606	19.8
121.06508	10.0
121.10123	7.0
121.81667	2.5
123.08104	10.6
123.11723	3.2
125.09627	31.5
129.06999	9.3
131.08594	9.8
133.10156	9.1
135.08087	9.9
137.09637	6.9
143.08580	6.7
145.06537	2.9
145.10158	5.8
145.28897	2.8
147.08028	3.7
147.11711	5.3
149.09674	6.5
150.02756	3.1
151.11136	3.9
153.09106	50.1
155.68564	2.5
157.10150	8.0
161.13365	3.2
162.80844	2.5
163.07466	3.6
165.06961	3.0
165.09108	16.5
171.11769	8.7
173.13293	12.3
181.08669	9.6
189.16457	4.7
199.14754	28.5
201.16380	3.3
217.15871	45.5
227.14342	3.9
234.96178	2.7
245.15384	10.8
263.16544	5.9
281.12015	4.1
281.15073	3.8
281.17847	3.6
281.28458	6.1
289.98749	3.2
297.48941	2.6
299.06149	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	281.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	1.7
53.03944	11.4
55.01869	3.3
55.05514	36.4
57.03162	1.8
57.03437	29.5
57.07056	2.9
65.03938	3.8
67.05505	88.2
69.03429	3.3
69.07061	18.9
69.96252	8.4
71.04990	3.9
73.06550	2.9
74.64025	1.6
79.05491	100.0
81.03419	15.6
81.07054	62.2
81.07536	3.0
83.04979	35.1
83.08630	9.9
85.06521	2.5
91.04906	3.6
91.05477	74.5
93.07043	68.7
95.04962	29.5
95.08610	41.7
97.02881	2.1
97.06528	6.0
97.10158	7.1
98.21465	2.0
98.97601	2.8
99.08074	2.2
103.05460	1.9
105.07035	50.3
107.04943	6.8
107.08588	24.6
109.06528	7.7
109.10131	10.1
115.05428	2.8
116.98592	1.9
117.07033	10.0
119.08572	26.3
121.06499	4.1
121.10122	6.6
123.08032	7.6
123.11708	2.3
127.07589	2.4
128.06163	3.5
129.06992	17.8
130.07742	1.8
131.04953	1.9
131.08568	1.8
133.06526	2.7
133.10149	15.3
135.11682	4.9
138.32133	1.6
143.08562	9.7
145.10118	7.9
147.08028	3.8
147.11693	33.3
150.02724	1.8
156.09334	2.1
161.05949	3.3
161.09657	3.8
161.13275	17.4
163.11034	1.9
171.11693	21.8
172.11896	1.9
174.59825	1.8
179.06847	1.7
189.05467	1.9
189.12701	8.4
196.17979	1.9
205.06601	1.8
207.13745	12.5
221.06052	2.2
221.09711	2.0
253.08572	1.5
261.51712	1.9
262.27087	1.8
266.05539	2.1
266.09253	1.8
267.38742	1.5
272.14566	5.0
281.05002	1.6
281.07712	7.8
281.11850	9.8
281.14615	3.5
281.17490	30.7
282.08701	2.5
299.05872	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	281.1744
Annotation	Pestalotheol C
Peak:m/z	Relative Intensity
51.02356	3.2
52.63772	3.4
53.03932	13.8
55.01866	16.7
55.05501	29.0
57.03419	12.4
57.07058	6.7
65.43677	2.7
67.05502	60.9
69.03439	3.8
69.07060	53.2
70.03604	11.7
70.04007	6.6
71.04982	24.0
71.08626	4.6
79.05488	76.5
81.03408	24.5
81.07050	100.0
81.69710	3.3
83.04973	16.6
83.08601	12.4
85.02871	3.4
85.06523	8.7
86.86711	3.1
91.05470	63.5
93.06488	5.6
93.07038	74.7
95.04966	19.8
95.08598	41.0
97.06511	10.9
97.10123	3.9
99.04427	9.8
99.08041	8.2
103.05480	3.8
105.07012	47.0
107.04940	36.0
107.08599	35.0
109.02866	6.8
109.06491	18.8
109.10140	14.7
111.04408	5.3
111.08101	3.4
113.05985	3.8
115.05479	4.3
117.07016	28.5
119.08578	50.3
121.06480	13.1
121.10108	18.3
123.08039	9.9
128.06203	5.5
129.07022	22.9
131.04929	7.3
131.08553	18.4
131.41113	3.3
133.06488	21.3
133.10100	20.4
135.08047	44.3
135.11655	4.3
137.05988	4.4
137.09586	10.3
143.08530	12.6
145.06538	7.7
145.10109	9.3
147.08040	38.9
147.11676	10.1
149.09592	28.6
151.02701	4.0
153.09096	5.9
157.06439	4.1
157.10139	9.8
159.07986	7.5
161.09599	16.6
161.13309	5.0
163.07530	10.5
165.09132	15.7
171.11665	8.4
175.07571	6.6
175.11018	4.3
175.14748	3.6
177.09085	11.7
181.08636	5.2
183.11720	3.8
185.13232	4.7
189.09119	5.7
194.95674	4.2
199.14749	10.4
207.10149	7.4
217.15903	9.2
227.14369	3.2
245.15318	11.3
263.16425	29.1
263.20166	4.8
266.99838	5.5
281.11676	7.7
281.17160	22.3
299.06256	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	279.2319
Annotation	Gorlic acid
Peak:m/z	Relative Intensity
53.00438	0.7
53.03947	1.2
55.01873	1.9
55.05513	9.5
57.03433	0.7
57.07074	10.4
65.03938	2.7
67.05505	100.0
68.05827	0.8
69.07070	11.1
69.18161	8.2
69.26751	0.6
71.04993	1.8
79.05494	11.8
80.31608	0.6
81.07056	92.6
83.04988	2.4
83.08617	6.2
85.02916	0.7
85.06561	1.7
85.10223	1.2
89.78869	0.7
90.56938	0.7
91.05486	5.9
93.07045	14.4
95.04995	1.8
95.08607	80.0
96.08939	0.9
97.06553	2.0
97.10163	3.7
98.20682	1.4
103.05507	0.7
105.06999	4.3
107.08598	9.5
109.06501	1.6
109.10155	43.9
111.08105	1.3
111.11683	0.8
113.09646	2.0
117.07032	1.8
119.08549	4.9
121.02858	3.3
121.06563	0.9
121.10150	9.0
123.08076	1.6
123.11706	24.1
127.07655	0.8
130.04047	0.7
131.08585	4.7
133.10104	4.3
135.08049	2.3
135.11707	4.7
137.09615	1.6
137.13257	8.8
139.11226	1.0
145.10132	2.8
147.11716	2.9
149.02338	55.8
149.09616	1.6
149.13263	4.3
150.02679	1.4
151.11197	1.4
151.14850	3.1
159.11717	2.9
161.13293	2.4
163.11150	2.2
163.14871	1.7
165.12759	1.3
165.16412	1.0
167.03435	1.6
173.13235	3.2
177.12764	2.0
177.16324	1.2
179.14302	1.1
181.12189	1.6
187.14795	3.2
195.13802	2.5
205.15929	1.0
209.15395	2.2
219.05714	1.6
219.21114	0.9
223.16949	2.8
234.01755	0.7
243.21103	2.9
261.22147	5.6
279.09219	1.7
279.19617	5.5
279.23175	36.7
280.23361	1.0
280.26364	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1954
Annotation	Panaxjapyne C
Peak:m/z	Relative Intensity
51.04847	0.9
53.03943	2.4
55.01862	3.7
55.05513	11.4
56.96552	1.0
57.03429	2.4
57.07080	10.8
58.34434	1.0
65.03938	2.0
67.05507	33.8
69.03420	4.4
69.07071	11.2
71.04992	2.1
71.26617	1.5
78.84928	0.9
79.05491	16.9
81.03396	1.3
81.07057	29.6
83.04976	5.2
83.08617	4.7
85.06570	1.2
88.14231	1.2
90.52232	1.1
91.04970	1.9
91.05485	18.4
93.06503	1.5
93.07054	24.0
95.04960	13.4
95.08607	26.7
97.06522	4.3
97.10158	2.7
99.08063	1.5
103.05449	1.2
105.07024	17.4
107.04958	7.4
107.08599	12.7
109.02879	1.1
109.06513	6.9
109.10155	15.5
111.04449	1.4
111.11739	1.7
116.98650	1.3
117.07021	7.5
118.65178	1.1
119.08594	12.2
121.02851	3.3
121.06493	9.1
121.10139	9.4
123.08058	5.2
123.11708	3.0
125.09631	2.0
129.07031	2.0
130.79578	1.0
131.08551	9.3
133.06499	3.0
133.10146	8.9
134.16931	1.1
135.08086	9.7
135.11728	5.7
137.09633	14.1
143.08578	3.8
145.06490	2.4
145.10118	6.0
147.08099	5.7
147.11687	4.4
149.02348	69.7
149.09601	9.8
149.13258	2.3
151.07515	1.1
151.11188	1.9
157.10168	2.6
159.08058	4.5
159.11700	6.4
161.09636	6.5
161.13194	1.6
163.11131	3.5
164.63362	1.3
165.12775	1.1
167.03380	1.3
169.10106	2.2
173.09622	3.2
173.13293	2.5
175.11241	1.9
177.12679	1.2
187.11191	2.2
191.17993	1.8
201.12674	2.5
201.16425	3.5
215.17938	4.2
219.05740	2.1
219.13705	1.2
225.16351	5.3
228.31625	1.2
233.19009	4.9
243.17416	11.3
261.18506	100.0
261.80817	1.1
262.18829	3.0
279.09442	2.5
279.19565	31.7
279.22644	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	279.2317
Annotation	Gorlic acid
Peak:m/z	Relative Intensity
50.31478	0.6
53.03954	1.0
55.05509	7.4
57.07069	2.2
65.03936	1.3
67.05504	100.0
68.05817	0.8
69.07067	9.4
70.02596	3.2
71.05009	1.4
71.09031	0.6
79.05493	12.7
79.13242	0.6
81.07053	92.9
83.04979	0.8
83.08620	5.1
85.06538	1.7
87.52686	0.7
91.05477	4.2
93.07038	11.3
95.04953	0.7
95.08604	71.6
96.08937	1.0
97.06518	1.0
97.10163	2.2
103.74265	0.6
105.07011	2.2
107.08586	6.2
109.06522	1.3
109.10152	25.2
110.70185	0.6
117.06969	1.1
119.08558	2.3
121.10133	4.5
123.08062	1.4
123.11698	13.2
131.08572	4.4
133.10123	2.6
135.07985	0.9
135.11705	4.5
137.09627	1.2
137.13266	9.3
145.10094	2.3
147.11717	1.4
149.02345	4.2
149.09604	1.5
149.13280	3.1
151.14796	2.0
159.11632	2.5
161.13210	2.0
163.11090	0.9
163.14821	1.8
165.16338	1.1
167.10744	0.6
173.13281	5.2
175.74382	0.7
177.12769	1.5
181.12219	1.2
187.14754	2.4
191.14291	1.8
195.13716	1.9
209.15245	2.5
223.16837	1.9
243.21016	1.6
261.21979	2.2
279.23169	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	277.216
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03931	5.1
55.01860	3.0
55.05509	17.5
57.03402	1.4
57.07069	9.0
65.03925	1.4
67.05499	39.4
69.06731	1.5
69.07070	16.1
70.48114	4.1
71.04977	2.4
71.08630	19.5
79.05490	59.8
81.03396	4.2
81.07051	50.3
83.04976	5.8
83.08169	1.4
83.08607	7.7
85.06542	1.4
91.05476	29.9
93.07038	100.0
95.04965	11.2
95.08601	36.6
97.06503	6.2
97.10173	2.9
99.08089	12.0
105.07017	18.8
107.04935	4.9
107.08585	56.7
109.06506	4.1
109.10147	11.4
111.08064	2.6
117.07016	4.0
119.08587	11.4
121.06512	2.0
121.10139	43.2
123.08057	2.2
123.11682	3.1
127.04324	1.1
129.06958	1.7
131.08565	6.4
133.10133	9.6
135.11684	58.0
135.12724	2.8
137.09605	4.0
139.11197	1.3
141.09061	1.7
143.08517	3.4
145.10101	5.9
147.11682	9.6
149.13271	18.3
151.11171	8.1
157.10133	1.9
159.11679	3.4
161.09605	1.4
161.13231	7.7
163.11174	3.8
163.14777	3.9
165.12686	1.9
167.10669	3.7
171.11662	3.4
175.14771	2.1
177.12778	2.5
179.10616	4.0
179.14302	18.3
185.13237	2.4
189.12747	2.5
195.13730	2.1
203.14391	1.2
207.13763	1.4
213.16441	1.6
220.18245	1.1
221.15337	4.7
231.17302	1.4
235.16910	13.6
241.19482	2.3
259.20569	5.5
277.18054	14.4
277.21588	84.5
278.22064	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	279.1953
Annotation	(+)-Ro 09-1544
Peak:m/z	Relative Intensity
51.58166	1.6
51.73526	1.2
53.03933	2.8
53.82043	1.4
54.48083	1.4
55.01854	5.6
55.05507	10.1
56.96556	3.2
57.07075	15.0
65.03943	2.6
67.05503	45.1
69.07069	19.4
69.38810	3.9
69.39222	9.9
71.04983	3.1
71.08598	1.6
79.05493	24.0
80.05832	1.7
81.03401	3.3
81.07053	49.1
83.04974	5.8
83.08620	3.4
85.06528	4.2
91.05482	26.1
93.07037	32.2
94.07356	3.1
95.04960	10.5
95.08603	29.9
97.06521	6.6
97.10106	1.5
99.08081	2.2
105.07027	26.4
107.04948	8.0
107.08595	19.0
108.08929	1.3
109.06509	11.4
109.10145	14.9
111.08131	2.3
117.06985	10.4
119.08566	17.7
121.02817	4.9
121.06490	7.8
121.10143	15.8
122.10452	2.1
123.08060	3.4
123.11697	6.2
125.09660	1.7
129.06987	2.9
130.07816	1.5
131.08536	18.9
133.10129	13.2
135.08057	4.2
135.11729	11.1
137.09592	4.2
137.13254	2.0
141.06908	2.0
143.08556	4.2
145.06436	2.4
145.10126	25.1
147.08008	3.4
147.11676	5.8
149.02332	95.6
149.09607	24.1
150.02692	2.2
151.11160	7.5
151.13832	1.8
155.08540	2.0
157.10149	2.0
159.11699	7.3
161.09598	3.3
161.13284	3.2
163.11183	24.0
167.03444	3.3
169.10127	2.4
173.09598	5.7
173.13303	2.1
175.14772	1.7
177.12744	3.7
179.10706	4.6
185.13303	2.1
187.04608	1.5
187.11150	3.3
187.14830	6.9
189.12758	1.5
191.10686	9.3
201.16388	7.9
205.12245	2.2
211.14833	3.7
219.03722	1.7
219.05626	3.2
219.17458	9.0
223.13283	6.6
227.09633	1.6
229.15891	9.3
237.14828	1.9
245.10750	2.5
247.16891	20.5
261.18527	8.1
261.20935	1.3
279.09305	5.4
279.19556	100.0
279.22809	9.1
297.10031	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	277.2159
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
53.03933	4.8
55.01833	1.4
55.05510	18.4
57.03422	1.5
57.07054	3.1
65.03933	2.7
67.05501	43.4
69.07060	15.6
69.33631	13.9
69.73580	1.8
71.04964	3.1
71.08628	17.2
79.05489	67.8
81.03403	5.5
81.07050	51.6
83.04957	4.1
83.06114	1.5
83.08626	7.6
85.06541	2.5
91.05474	30.6
93.07039	100.0
95.04953	11.2
95.08599	33.8
97.06525	5.3
97.10156	3.5
99.08088	12.8
100.99878	1.4
105.07029	17.9
106.20049	1.3
107.04948	2.9
107.08588	62.4
109.06502	2.5
109.09507	1.5
109.10152	11.7
113.02871	1.4
117.06999	4.2
119.08580	12.5
121.06557	1.7
121.10135	37.6
123.11727	2.7
131.08553	4.9
133.10162	8.7
135.11684	59.1
137.09660	2.3
141.09045	1.8
143.08513	1.8
145.10118	4.9
147.11723	7.1
149.13242	18.5
151.11180	6.5
157.10228	1.3
159.11652	4.4
161.09627	1.8
161.13274	7.7
163.11180	3.8
163.14801	6.5
167.10661	3.1
171.11694	3.1
177.12770	4.2
179.14310	21.6
181.12254	2.4
182.67841	1.3
185.13200	3.3
189.12669	2.2
191.14339	1.5
193.12257	1.7
195.13838	4.6
199.14890	1.8
207.13713	1.8
221.15372	3.4
231.17329	1.8
235.16942	4.0
241.19463	2.7
259.20517	5.1
277.21613	85.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.216
Annotation	Stearidonic Acid
Peak:m/z	Relative Intensity
53.03925	4.5
55.05511	15.5
57.07061	4.2
67.05182	2.2
67.05500	30.6
69.07063	13.9
69.24235	15.4
79.05490	70.4
81.07047	33.5
82.39632	1.5
83.04992	1.8
83.08603	5.4
85.06545	1.8
91.05479	28.1
92.38507	1.4
92.41284	1.4
93.07042	100.0
95.04957	6.4
95.08601	23.9
97.06526	1.8
97.10155	3.4
105.04483	1.9
105.07029	13.0
107.08586	48.9
109.06560	2.1
109.10144	18.0
109.87892	1.4
117.06990	2.6
119.05977	2.0
119.08572	10.7
121.09349	2.5
121.10144	39.5
123.11684	4.1
129.07002	1.6
131.08598	3.8
133.10144	9.9
135.11687	62.5
137.13210	2.0
145.10135	3.6
147.11665	7.8
149.09566	2.1
149.13254	29.2
157.10126	1.6
157.45662	1.5
159.11679	2.5
161.13255	4.0
163.14804	6.8
171.11662	3.5
173.13283	2.8
175.11151	2.3
175.14806	3.9
177.12801	1.8
181.12166	1.4
189.12724	1.5
213.16312	2.1
221.15414	3.2
235.16806	4.9
241.19485	1.9
259.20627	3.7
277.21609	70.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2162
Annotation	Stearidonate
Peak:m/z	Relative Intensity
53.03936	5.5
55.01859	3.9
55.05508	20.7
57.07063	4.8
65.03915	2.3
67.05501	40.0
69.03358	1.4
69.07064	19.2
70.96271	4.5
71.04980	3.3
71.08634	4.0
79.05492	64.8
81.03413	2.6
81.07054	49.7
83.04987	3.3
83.08613	9.9
85.06549	1.7
91.05479	30.2
93.07043	100.0
94.07410	1.7
95.04964	7.7
95.08601	31.0
97.06526	3.6
97.10162	4.8
105.04520	2.0
105.07031	20.1
107.04951	2.4
107.08591	50.1
109.06477	4.5
109.10154	17.5
109.82257	1.7
111.08090	4.3
111.11796	1.9
117.06995	4.4
119.08581	15.3
121.06536	1.6
121.10143	40.4
123.08076	3.5
123.11712	3.7
127.07581	1.9
127.21967	1.4
129.07004	3.7
131.08543	4.5
133.10133	13.4
135.11691	42.7
137.09625	3.1
137.13220	1.7
141.09123	1.7
143.08522	1.9
145.10120	5.9
147.11693	10.4
149.13245	24.7
151.11235	2.3
157.10123	1.9
159.11717	4.2
160.44621	1.6
161.09653	2.2
161.13254	5.6
163.11153	5.2
163.14795	7.2
165.12740	3.0
171.11707	3.3
173.13245	4.3
175.11211	1.9
175.14798	4.9
175.97586	1.5
177.12796	1.5
177.20558	1.3
179.10651	1.6
185.13327	3.5
189.12700	2.3
199.14720	1.7
203.14386	3.0
207.13835	1.9
221.15361	2.0
231.21011	1.8
235.16914	8.0
236.76872	1.5
241.19446	3.6
259.20599	7.4
277.18469	3.0
277.21631	95.0
278.22067	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.216
Annotation	Stearidonic Acid
Peak:m/z	Relative Intensity
51.02372	1.6
53.03933	4.6
55.05507	19.8
57.07061	2.1
65.03931	2.5
67.05504	33.0
69.07060	13.2
69.82875	8.8
72.99419	1.3
77.03926	1.7
79.05492	74.9
81.07053	35.6
83.08620	7.8
85.06575	1.4
91.05481	30.1
93.07043	100.0
95.04958	6.3
95.08603	25.3
97.06499	1.8
97.10146	3.3
98.20742	1.7
105.07037	15.7
107.07887	3.0
107.08590	50.2
109.06538	1.5
109.10155	11.9
117.07016	3.0
119.08609	10.4
121.10147	40.8
123.11698	3.2
131.08563	4.9
133.10092	10.2
135.11688	48.0
143.08542	3.9
145.10097	4.8
147.11702	8.2
149.09628	1.3
149.13272	20.9
161.13231	6.0
163.14836	4.0
171.11708	3.1
173.13297	2.0
177.12727	1.6
185.13341	1.8
193.12209	1.6
195.13797	1.9
201.04091	1.5
203.14322	1.4
213.16377	1.7
221.15337	3.8
226.48915	1.4
231.66048	1.3
235.16949	2.6
238.66072	1.9
259.20514	2.4
277.21622	52.5
282.51788	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.216
Annotation	Stearidonic Acid
Peak:m/z	Relative Intensity
50.15012	1.4
50.19232	1.4
50.28486	1.4
51.52900	1.6
53.03935	4.3
53.83328	1.8
54.52577	1.2
54.53728	1.3
55.05506	20.1
55.66467	1.4
57.07076	2.1
58.47930	1.3
65.03928	2.0
65.64915	1.3
67.05503	34.0
69.07063	14.7
70.03062	7.8
71.04975	3.3
71.08637	1.6
79.05489	75.4
81.06594	2.7
81.07050	36.0
83.08611	7.4
85.06536	1.6
91.05479	27.9
93.07037	100.0
95.04955	7.1
95.08607	24.0
95.14396	1.4
97.06581	1.7
97.10138	4.3
105.04542	2.1
105.07023	13.3
107.08587	55.1
107.69954	1.6
109.06490	2.7
109.10158	14.3
111.08038	1.6
117.07024	3.3
119.08592	9.1
121.10138	40.9
123.08062	2.7
123.11692	4.4
125.09657	1.7
126.96970	1.4
129.07022	3.1
131.08588	4.4
133.10114	12.3
135.11682	56.3
145.10089	3.8
147.11688	7.0
149.09772	1.4
149.13246	25.8
151.89360	1.7
159.11722	3.6
161.13249	5.7
163.11189	3.9
163.14836	4.7
171.11655	3.6
175.14709	1.9
181.12199	1.9
185.13208	2.6
192.11758	1.5
193.91489	1.6
207.13904	1.9
217.19545	1.6
221.15359	3.6
235.16978	4.9
241.19516	2.0
252.58897	1.7
259.20486	3.7
277.21613	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	277.0894
Annotation	Unknow
Peak:m/z	Relative Intensity
58.54229	0.7
62.88620	0.6
69.38742	6.7
70.88486	0.7
90.20226	0.7
101.00887	2.5
103.02446	1.7
113.00887	0.7
119.01913	6.1
121.01664	2.2
131.01939	1.4
133.03467	6.1
143.01915	1.8
145.03473	2.0
151.04549	2.4
155.01949	1.7
157.03488	1.7
161.02933	6.1
163.02748	0.9
171.03224	1.3
173.03015	2.2
175.04564	2.9
185.02977	2.4
187.04572	2.0
189.04344	0.8
203.09900	0.8
211.04498	1.0
217.03760	0.8
217.05621	1.4
245.05077	2.0
277.03372	17.7
277.09000	100.0
295.08893	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0321
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50431	3.8
51.17987	3.8
51.83674	3.6
52.68314	4.1
56.96556	15.2
69.94308	4.1
70.44968	5.1
70.45324	15.0
82.99806	4.6
97.02916	7.7
98.97585	25.2
101.00861	34.5
110.97581	8.6
111.69685	5.2
113.00809	6.0
113.55343	4.2
116.98610	10.7
119.01927	74.3
127.97967	3.9
128.98622	6.3
131.01894	25.7
133.03491	9.8
134.95964	3.8
137.02930	15.5
143.01875	38.5
145.03465	16.3
146.99678	5.8
149.02821	4.6
155.01862	15.2
156.78165	3.9
157.03427	15.3
161.02945	100.0
165.00760	4.6
173.02960	31.4
175.04573	15.6
177.00615	5.1
185.02937	23.4
187.04549	10.0
197.02803	6.3
203.04099	10.1
205.05708	5.8
219.01701	5.3
237.02835	15.1
245.05064	32.0
263.06104	9.0
277.03308	16.1
277.07678	97.7
295.06564	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	275.2004
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03943	1.9
54.73212	1.3
55.01860	5.0
55.05513	19.1
57.03428	1.7
57.07069	1.6
65.03927	1.9
67.05502	26.0
69.03410	1.2
69.07062	11.3
69.79150	8.8
71.04981	2.6
79.05488	29.2
81.07055	32.5
83.04973	2.2
83.08617	6.4
85.06546	2.3
90.50684	1.2
91.05479	46.3
93.07045	24.4
95.04966	5.4
95.08601	18.7
97.06532	5.6
97.10147	3.3
105.07032	65.8
107.04953	3.5
107.08585	16.9
109.06518	6.0
109.10155	8.9
111.08061	2.4
115.05454	1.9
116.60122	1.3
117.07028	12.5
119.08582	40.0
120.96836	1.2
121.06479	5.3
121.10136	10.2
123.08010	2.6
123.11691	1.9
125.09657	1.6
129.06996	1.4
131.08568	16.9
133.06487	1.9
133.10126	43.1
135.08046	5.2
135.11685	5.0
137.09601	3.7
143.08582	1.7
144.48907	1.4
145.10120	12.5
147.08078	2.0
147.11684	22.3
148.12000	1.9
149.09662	7.3
149.13300	2.8
151.11136	3.6
155.08549	2.1
157.10120	3.5
159.07932	1.6
159.11685	10.1
161.09595	1.9
161.13261	8.0
163.11192	6.7
169.10150	2.7
171.11653	2.6
173.13304	6.4
175.14873	2.0
177.12720	2.7
183.11707	3.6
187.15005	1.4
189.12831	2.7
191.14310	1.6
197.13275	3.0
201.12787	2.4
201.16377	1.9
216.48697	1.3
222.00668	1.5
229.19470	4.2
239.17896	7.1
247.20609	3.4
257.19113	11.5
275.20062	100.0
276.20306	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	277.0321
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09266	3.6
56.20808	3.5
61.66860	3.5
66.72549	3.6
67.17118	3.3
69.54974	20.6
71.38564	3.3
75.94236	3.1
83.21167	3.1
98.99071	3.7
101.00869	13.6
103.02440	3.7
119.01901	29.5
121.01649	8.6
131.01898	7.4
133.03510	17.9
133.86610	3.7
143.01897	6.9
145.03415	9.0
147.03229	5.2
151.04564	8.7
155.01878	3.8
157.03444	5.1
161.02995	23.0
173.02928	13.1
175.04578	8.4
185.02953	7.1
187.04539	9.3
189.04381	8.4
201.06097	6.8
211.04298	3.8
217.05661	7.3
245.05025	11.4
277.03088	11.7
277.09064	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2006
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03930	3.3
55.01861	3.1
55.05513	10.3
57.03424	3.7
65.03931	1.4
67.05183	1.7
67.05504	18.7
69.07060	7.5
71.04981	2.3
77.03934	1.5
79.05025	1.1
79.05489	24.8
81.03426	5.4
81.07055	43.5
83.04970	1.9
83.08601	4.4
85.06533	1.8
91.05482	26.0
93.07050	18.4
95.04961	7.1
95.08601	13.8
97.06509	3.7
97.10158	1.2
99.08076	1.5
103.05516	1.3
105.07028	39.0
107.04957	49.6
107.08588	12.8
108.05718	1.7
109.06507	8.2
109.10165	5.4
111.08073	1.6
117.07033	6.6
119.08578	18.2
120.05699	1.4
121.06505	12.6
121.10141	7.3
123.08082	2.4
123.11698	1.7
129.07016	2.8
131.08559	12.2
133.06564	1.1
133.10130	19.2
135.08012	2.4
135.11685	2.2
137.09656	1.3
143.08549	2.8
145.06509	1.1
145.10118	9.4
147.08076	2.6
147.11699	11.1
149.09607	3.6
149.13271	2.6
157.10132	3.5
159.11696	6.3
161.09637	2.5
161.13245	3.2
163.11160	3.2
169.10115	1.4
171.11678	2.0
173.09648	1.2
173.13281	2.8
175.11127	2.2
175.14790	2.0
179.10736	1.4
183.11681	2.3
199.14908	1.3
201.12729	1.3
215.18044	1.5
229.19444	1.3
232.30412	0.9
233.19011	1.1
239.17946	3.4
241.06200	1.0
247.20619	2.9
257.18915	5.7
270.91473	0.9
275.20056	100.0
276.20380	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2004
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03941	3.2
55.01860	4.1
55.05505	19.9
55.71466	2.1
65.03899	1.9
67.05496	27.4
69.07064	10.6
70.03081	11.0
79.05489	30.4
80.35639	2.1
81.07056	25.5
83.04971	3.5
83.08599	6.5
89.04250	2.5
91.05473	40.9
93.07037	34.8
95.04984	5.2
95.08608	15.4
97.06512	9.3
97.10174	3.5
105.07021	64.3
107.04933	3.5
107.08593	23.2
109.02705	2.3
109.06514	6.2
109.10150	9.8
111.08055	3.0
115.05460	3.6
117.07021	15.2
119.08583	47.7
121.06462	4.3
121.10164	15.5
123.08035	3.4
125.09657	4.1
129.07022	4.0
131.08549	20.1
133.06438	3.9
133.10112	38.8
135.08034	7.5
135.11671	4.7
137.09622	5.7
143.08519	2.5
145.10115	23.3
147.08028	3.1
147.11699	18.4
149.09605	19.2
151.11168	7.5
155.08517	2.5
157.10168	3.2
159.11681	12.2
161.09665	2.3
161.13239	6.1
163.11156	9.7
165.12807	5.4
169.10149	4.0
171.11636	3.6
173.13226	4.9
175.11133	4.8
177.12802	2.6
187.14861	2.9
189.12759	2.5
197.13205	5.0
201.12605	2.3
211.14722	3.6
229.19528	6.6
239.17964	15.2
240.02293	2.7
243.07224	2.3
247.20563	4.2
257.19052	17.8
275.20059	100.0
275.60156	2.3
276.20425	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	275.2004
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03954	3.0
55.01861	5.9
55.05516	14.7
67.05504	23.8
69.07063	8.4
71.04960	2.1
71.12592	3.7
71.57790	2.0
79.05068	2.5
79.05489	22.3
81.07062	23.9
83.04976	3.6
83.08625	8.8
91.05482	36.3
93.07050	22.1
95.04954	6.4
95.08613	16.9
97.06524	7.3
97.10162	5.4
105.07030	43.8
107.04930	3.7
107.08604	19.9
109.06514	3.1
109.10162	8.7
111.08062	5.0
117.07015	12.0
119.08585	35.3
121.06515	4.9
121.10167	10.1
123.08067	4.6
125.09642	2.1
129.06985	2.6
131.08554	13.9
132.09518	1.8
133.06502	4.0
133.10126	35.8
135.08023	6.6
135.11667	4.4
136.71086	1.9
137.09601	3.5
141.91638	1.9
143.08537	2.4
145.10133	17.7
147.08105	2.1
147.11681	16.6
149.09615	14.0
149.13170	2.0
151.11136	4.9
155.08549	3.0
157.10153	4.2
159.11710	13.2
161.09616	2.9
161.13226	7.2
163.11200	10.6
164.54643	2.0
165.12785	3.8
169.10127	2.5
171.11638	2.9
173.13251	5.8
175.11205	3.4
177.12738	4.0
183.11703	1.9
197.13226	4.2
215.17987	1.9
229.19528	4.5
239.17958	10.5
247.20668	3.8
257.19040	14.2
275.20081	100.0
275.27759	6.7
276.20410	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	275.2002
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03930	1.4
55.01856	2.8
55.05505	15.6
55.51449	0.8
57.03432	4.8
57.07063	2.0
62.19775	0.9
65.03948	1.8
66.26693	0.7
67.05502	23.0
69.03434	2.0
69.07063	11.1
69.72028	3.6
69.72446	1.7
70.06586	0.9
71.04982	3.1
76.92317	0.8
77.98729	0.8
79.05491	23.7
81.03428	1.0
81.06600	1.6
81.07052	27.9
83.04979	3.3
83.08613	4.7
85.06544	1.8
90.57360	0.7
91.05474	39.1
93.07039	22.5
95.04957	5.4
95.08608	15.7
97.06526	3.4
97.10166	1.6
99.08063	1.1
103.05447	1.9
105.07024	50.8
107.04958	5.1
107.08585	18.7
108.16971	0.9
109.06508	8.8
109.10130	7.1
111.08071	3.2
115.05412	0.8
117.07005	10.9
118.07777	1.4
119.08575	37.7
121.06487	3.7
121.10124	10.2
123.08076	4.8
123.11669	2.2
125.09573	1.4
129.07002	3.6
130.07799	0.9
131.08554	16.4
131.09529	1.0
133.06465	1.2
133.10120	40.0
135.08049	7.3
135.11670	6.2
137.09633	4.0
143.08580	2.6
145.10104	14.6
147.08044	2.3
147.11673	19.3
149.09599	7.5
149.13249	1.6
151.11169	1.9
153.09052	1.0
155.08543	1.9
157.10115	4.0
159.11673	10.9
161.09631	2.2
161.13232	7.0
163.11160	5.1
165.12798	1.5
169.10126	2.3
171.11691	3.4
173.09529	1.1
173.13260	8.1
175.11189	2.0
175.14792	2.4
177.12770	2.7
183.11737	4.4
185.13197	2.4
187.11188	2.2
187.14806	2.0
191.14308	1.3
197.13292	4.4
199.14830	1.4
201.12602	1.0
201.16316	1.9
203.14339	2.5
213.16438	1.0
215.17912	1.7
219.17456	1.2
229.19496	3.0
234.74593	0.9
239.17924	6.5
247.20645	4.1
257.18958	11.8
275.20044	100.0
276.20383	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	275.2005
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03943	1.1
53.07000	0.8
54.58073	0.9
55.01867	1.2
55.05512	10.1
57.03425	3.7
57.07060	2.2
64.81281	0.8
65.03929	0.8
66.03420	0.8
67.05499	8.5
67.59583	0.8
69.07069	8.3
69.87615	4.3
70.06579	2.6
71.04972	1.4
71.06915	1.1
75.06644	0.8
79.05492	12.9
81.07050	12.0
81.49992	0.8
83.08625	5.6
85.06538	2.7
87.41522	0.9
88.07616	3.7
89.07958	1.3
91.05476	30.5
93.07039	14.6
95.04948	0.9
95.08606	9.6
97.06516	2.4
97.10147	1.1
98.21506	1.4
103.05443	1.0
104.06224	0.9
105.07028	44.8
106.07371	0.8
106.08653	2.0
107.04929	1.1
107.08569	7.9
109.06503	2.1
109.10146	2.8
111.08063	1.8
116.18444	0.8
117.07018	7.3
119.08584	28.1
121.00842	0.7
121.06518	1.5
121.10110	4.5
123.11617	0.8
129.07010	1.9
131.08562	10.6
133.10136	21.9
135.11635	1.4
141.06898	1.1
143.08516	2.5
145.10126	12.4
147.11690	23.4
149.09622	3.6
149.13278	1.0
149.42392	1.0
157.10191	3.9
159.11694	11.4
161.09590	1.4
161.13235	7.3
163.11153	2.6
169.10080	1.4
171.11639	1.7
173.13268	3.5
175.11099	0.9
183.11699	1.7
185.13234	5.8
197.13269	2.5
201.16356	1.7
203.14308	4.1
219.17389	1.1
229.19566	1.5
239.17905	3.2
257.19003	9.2
257.26807	2.3
275.20056	100.0
275.27737	33.5
276.20322	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2005
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.77726	1.2
55.05500	3.4
57.07077	7.7
59.04997	1.3
67.05499	4.0
69.07063	2.8
70.06586	8.5
71.04989	6.4
71.06921	2.5
71.08628	2.0
71.10812	2.8
79.05486	5.3
79.14593	1.2
81.07041	4.8
83.04961	2.5
85.06519	4.9
88.07629	10.3
89.07956	5.1
91.05473	10.6
93.07053	6.8
95.08626	9.3
97.06544	1.3
102.09177	2.7
105.07037	12.2
106.08618	5.8
107.08536	8.6
109.06517	6.2
109.10134	4.9
111.08076	5.5
117.07030	3.5
119.08585	12.7
121.10151	12.2
123.08189	1.5
123.11729	2.1
129.07018	2.6
131.08562	12.8
133.10144	12.0
135.08060	9.3
135.11751	1.5
137.09586	4.3
142.07774	3.3
143.08557	5.2
144.09340	1.8
145.10133	9.4
147.11665	5.8
157.10132	11.5
158.10899	3.8
159.11685	16.5
161.13237	1.6
163.11133	1.9
169.10217	2.6
171.11731	5.5
173.13257	25.0
174.13983	3.2
175.11218	4.7
175.14850	2.9
177.12778	3.4
180.62932	1.3
183.11687	5.2
184.12308	1.2
187.11087	1.7
187.14824	4.0
189.12827	1.4
191.14333	3.5
197.13205	3.6
199.14825	7.5
201.12794	5.1
209.85973	1.4
213.16463	2.5
215.14407	1.8
215.17882	2.1
217.15901	3.1
239.17902	2.2
257.19019	10.2
257.26620	5.2
275.20071	28.6
275.27756	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2003
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03934	2.1
55.01858	2.7
55.05506	13.4
56.71918	0.7
57.03434	1.1
57.07053	0.8
65.03920	1.4
67.05139	1.1
67.05495	16.3
67.72782	0.6
69.07065	10.2
70.03998	3.1
71.04974	1.8
71.85541	0.6
73.06523	0.7
79.05487	18.3
81.03380	0.6
81.06599	1.0
81.07050	16.2
83.04967	1.9
83.08601	5.4
85.06506	1.1
87.88177	0.6
91.05470	41.4
93.07037	17.8
95.04961	3.0
95.08598	12.6
97.06512	2.6
97.10159	2.0
103.05437	1.8
105.07020	58.4
106.07344	0.8
107.04940	1.7
107.07890	1.1
107.08581	14.5
109.06493	2.7
109.10149	4.6
109.88483	0.6
111.08063	1.5
115.05431	1.0
117.06241	0.8
117.07005	9.8
118.07793	0.6
119.08569	37.2
121.06523	3.2
121.10134	5.0
121.61153	0.5
123.07988	1.4
123.11706	0.6
125.09672	0.9
129.06990	2.2
130.07748	1.0
131.08548	13.8
133.06487	1.2
133.10112	35.8
134.10426	1.0
135.08008	2.3
135.11678	4.1
137.09601	1.9
141.06955	1.3
143.08546	2.2
145.10112	13.6
146.10828	1.1
147.08035	1.3
147.11667	24.3
149.09589	5.3
149.13249	1.3
151.11215	0.8
155.08548	2.0
157.10112	2.8
159.07962	0.6
159.11667	11.2
161.09587	1.2
161.13220	6.7
163.11143	2.8
169.10088	1.1
171.11629	3.5
173.13181	3.6
175.11139	1.0
175.14848	0.9
183.11703	1.7
185.13298	1.2
187.11198	1.1
187.14809	1.4
197.13226	3.1
201.12799	1.3
213.16400	0.6
215.14194	0.8
215.17938	0.7
229.15717	0.6
229.19528	2.3
233.15347	1.2
239.17853	3.5
247.20609	1.7
257.18967	7.2
275.20029	100.0
276.20380	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2003
Annotation	Cinmethylin
Peak:m/z	Relative Intensity
53.03941	3.1
55.01877	7.2
55.05507	18.0
65.03928	1.5
67.05504	17.8
69.07072	12.7
71.04964	1.2
79.05490	21.4
81.03430	1.6
81.07054	38.2
82.54524	1.2
83.04964	2.5
83.08612	5.5
84.10705	1.0
91.05479	51.1
92.05791	1.5
93.06501	1.5
93.07047	17.6
95.01316	1.1
95.04974	5.4
95.08603	11.7
97.06531	10.2
97.10138	2.2
103.05433	1.9
105.07030	100.0
106.07348	1.8
107.04939	3.7
107.08578	10.8
107.24271	1.1
109.06492	2.6
109.10145	4.1
115.05453	1.7
116.48198	1.1
117.07016	12.2
119.08582	35.2
121.06446	1.6
121.10130	3.8
123.08080	2.0
125.09596	1.6
129.06944	1.8
131.08577	17.5
133.10130	51.1
135.08015	1.3
135.11691	3.0
143.08582	3.0
145.10114	12.8
147.11681	18.3
149.09601	2.3
151.11229	1.7
155.08612	1.6
157.10129	2.5
159.11722	5.6
161.13248	3.8
163.11157	1.8
165.09143	1.1
171.11641	1.9
173.13292	2.6
177.12723	1.2
179.14305	1.5
183.11732	1.5
197.13324	1.5
239.17896	2.4
247.20602	2.5
257.19000	6.2
275.20059	69.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2004
Annotation	Dicranin
Peak:m/z	Relative Intensity
51.02364	1.1
53.03930	2.6
55.01870	7.3
55.05512	26.4
57.03431	1.6
65.03918	2.2
67.05507	33.9
69.03403	1.6
69.07061	8.9
69.27617	0.9
69.45271	2.3
69.45695	6.7
71.04982	3.8
73.58260	1.0
78.06094	1.0
79.05494	44.5
79.94520	1.0
81.03423	1.2
81.07052	26.4
83.04961	4.2
83.08623	7.7
85.06538	1.6
91.05483	39.8
93.06489	1.8
93.07045	26.8
95.04954	4.6
95.08617	10.2
97.06517	4.3
97.10188	5.7
98.21531	1.3
103.05436	1.9
105.07033	50.4
107.04952	27.4
107.08592	28.4
109.06512	3.7
109.10162	17.2
111.08067	2.1
117.07013	13.7
119.06104	1.0
119.08581	36.3
121.06544	1.3
121.10136	11.2
123.08038	1.6
123.11692	1.9
125.09638	4.9
128.15318	1.1
129.07008	2.8
129.56909	1.0
131.08577	16.0
133.10132	34.7
135.08038	6.0
135.11670	3.4
137.09677	1.3
141.07013	2.1
143.08571	2.4
145.10110	14.0
147.08023	1.7
147.11682	22.7
149.09624	49.1
153.09169	2.5
154.72437	1.0
155.08612	1.7
155.10745	1.2
157.10136	3.0
159.11693	9.1
161.13251	7.2
163.11227	2.1
166.78262	1.0
169.10092	2.3
169.12231	2.6
171.11699	2.9
173.11696	3.0
173.13272	5.2
175.11229	1.8
175.14876	1.2
177.12724	1.6
183.11736	3.3
187.11172	2.0
187.13313	1.3
187.14824	3.3
197.13205	2.7
215.17978	2.8
229.19508	8.3
239.17902	3.8
247.20627	2.7
257.19052	17.0
275.20065	100.0
276.20480	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	275.2004
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03932	3.1
55.01859	6.1
55.05510	12.5
57.03417	5.8
57.07070	2.0
58.24787	1.7
63.90271	1.4
65.03931	1.7
67.05499	30.0
69.03408	1.9
69.07059	12.0
69.94343	8.6
71.04981	1.6
79.05489	37.4
81.03406	2.6
81.07050	69.5
83.04955	3.6
83.08599	7.5
91.05477	42.3
93.06493	2.4
93.07040	29.0
95.04996	7.3
95.08600	22.9
97.06515	6.1
97.10184	1.9
98.21465	2.1
105.07024	49.4
107.04937	11.5
107.08591	17.4
109.06512	26.2
109.07243	0.9
109.10153	8.4
111.08089	3.7
114.31422	1.4
117.07027	9.7
119.08570	33.3
121.06497	11.0
121.10168	10.2
123.08041	8.8
123.11670	2.7
129.06993	3.5
131.08553	16.4
133.06436	2.7
133.10127	31.4
133.25455	1.5
135.08049	8.8
135.11684	5.3
137.09587	4.8
143.08505	3.6
145.10144	14.7
147.08031	2.0
147.11678	20.8
149.09624	9.9
149.13229	5.0
151.11214	2.7
151.24289	1.7
157.10094	3.3
159.08035	2.5
159.11665	10.4
161.09598	3.1
161.13213	5.1
163.11163	5.7
169.10078	2.0
171.11641	4.1
173.09651	1.6
173.13271	6.0
175.11169	1.9
175.14734	2.7
179.14247	1.7
183.11642	2.1
187.11107	2.7
193.12280	3.2
197.13144	1.9
201.12733	2.1
213.16449	2.4
215.14203	1.6
215.17856	2.2
229.19531	4.2
232.97389	1.5
233.18999	2.1
239.17896	4.5
247.20512	4.0
257.19000	12.6
275.20038	100.0
276.20361	3.1
293.60617	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2004
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03932	2.3
53.86115	0.7
55.01861	2.2
55.05507	14.5
56.31864	0.7
57.03422	2.9
57.07060	1.3
65.03924	1.2
67.05139	1.3
67.05499	22.6
69.06733	1.0
69.07066	11.7
70.42129	2.9
71.04968	2.0
73.06547	0.8
79.05482	22.2
81.07049	26.2
81.07528	1.3
83.04963	2.7
83.08623	4.7
85.06532	1.0
86.34869	0.6
91.05476	40.7
93.07030	20.1
95.04956	4.6
95.08065	1.2
95.08602	14.5
97.06518	2.7
97.10131	1.8
99.08084	1.1
103.05459	1.6
105.07025	54.9
107.04930	5.5
107.08585	16.5
109.06512	6.6
109.10149	6.1
111.08065	1.4
115.05440	2.0
117.07001	8.8
119.08572	33.9
121.06467	4.4
121.10146	8.8
123.08035	5.5
123.11687	2.2
125.09612	1.3
128.06190	0.8
129.07001	2.9
130.07762	1.2
131.08551	15.6
133.06517	1.1
133.10114	41.1
135.08040	8.0
135.11684	4.7
137.09622	3.5
141.06947	1.1
142.07741	0.7
143.08537	2.2
145.10100	11.3
147.08011	1.7
147.11671	18.4
149.09586	5.9
149.13208	1.5
151.11157	2.4
155.08557	1.6
157.10060	3.9
159.08011	1.0
159.11676	9.8
161.09601	1.8
161.13251	5.4
163.11154	3.2
169.10147	2.1
171.11694	3.6
173.09627	0.9
173.13277	5.3
175.11258	1.8
175.14821	2.1
177.12689	1.9
181.12152	0.7
183.11681	3.0
185.13223	3.1
187.11192	1.4
193.12106	0.9
197.13199	2.7
199.14890	1.2
201.12802	1.2
201.16422	1.3
203.14302	2.5
215.14323	1.1
215.17947	1.3
219.13782	1.1
219.17445	1.3
229.15749	1.2
229.19472	2.7
233.15422	1.0
233.19061	0.8
239.18034	4.4
239.20107	0.8
245.63704	0.7
247.20526	4.2
257.18997	11.3
275.20038	100.0
275.27866	1.9
276.20438	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2005
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03925	1.5
55.01863	2.3
55.05510	11.4
57.03429	3.6
59.04998	1.0
67.05505	12.3
69.07071	6.1
69.76933	4.6
71.04971	1.1
73.06565	0.9
73.26816	0.8
79.05495	12.2
81.07056	13.5
83.04974	1.6
83.08625	5.7
85.06525	1.9
91.05482	30.9
93.07046	12.0
94.79623	0.8
95.04952	2.4
95.08609	10.0
97.06545	0.9
97.10153	1.5
98.20898	1.1
103.05446	1.3
105.07029	53.3
107.04941	1.6
107.08588	9.2
108.04470	2.4
109.06528	2.5
109.10121	3.9
111.08076	1.7
115.05431	1.0
115.08915	0.7
117.07022	8.1
119.08578	29.3
121.06508	1.1
121.10137	4.5
123.08021	1.0
124.03951	2.3
125.09623	1.3
128.06201	0.9
129.06984	2.3
131.08566	12.2
133.10130	30.5
134.64055	0.8
135.08014	1.5
135.11722	1.8
141.06998	1.0
143.08514	3.1
145.10117	12.5
147.11679	30.8
149.09602	3.6
149.13252	1.0
155.08496	0.9
157.10109	3.8
158.68544	0.9
159.08043	0.9
159.11678	11.8
161.09674	1.5
161.13261	6.6
163.11171	2.2
169.10175	1.3
171.11688	2.3
173.09706	1.3
173.13264	3.5
175.11295	0.7
175.14854	1.4
183.11694	2.4
185.13246	4.8
197.13277	1.5
197.79588	0.7
201.16429	0.7
203.14311	4.2
208.09682	2.9
215.17934	0.9
219.13824	1.2
223.28799	0.7
224.09221	1.7
229.19473	1.0
239.18021	3.7
257.19006	9.3
267.31036	0.8
275.20059	100.0
276.12375	2.0
276.20377	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	275.1278
Annotation	Batatasin II
Peak:m/z	Relative Intensity
50.39678	0.8
53.03949	1.9
55.01879	0.9
55.05512	7.5
57.03434	2.1
57.07071	2.9
65.03941	1.7
67.05508	10.6
69.03419	1.3
69.07075	6.7
70.05616	2.2
70.06034	1.4
71.08630	1.0
79.05498	10.7
81.03431	1.9
81.07060	12.1
83.04991	2.4
83.08624	2.4
85.10169	0.8
85.33225	0.6
91.05485	100.0
92.05805	1.0
93.07050	10.1
95.04970	3.0
95.08611	16.0
97.10184	0.9
98.97588	1.3
103.05473	2.6
105.03396	1.1
105.07036	12.1
107.04948	3.0
107.08601	9.5
109.02888	1.1
109.06522	1.1
109.10155	6.1
111.11707	1.0
115.05466	6.2
116.06256	3.4
117.07020	35.5
119.04948	22.3
119.05801	1.2
119.08587	6.3
121.06511	2.2
121.10163	5.1
123.04394	1.4
123.08072	0.8
123.11714	4.3
128.06221	3.5
129.07008	14.1
131.04933	1.7
131.08572	36.2
133.06505	3.4
133.10136	9.8
135.04417	3.2
135.08083	4.2
135.11703	3.5
137.13269	1.6
141.06987	6.5
142.07799	2.2
143.08586	5.5
144.05707	2.1
144.09329	0.9
145.06496	5.0
145.10167	6.4
147.04453	2.1
147.08046	2.5
147.11713	1.3
149.06010	1.2
149.09627	1.5
149.13237	7.0
153.06978	1.6
155.08586	4.1
157.10104	2.5
159.08054	17.8
159.11723	2.3
161.09592	5.9
163.07607	1.1
163.14833	3.3
168.09311	1.7
169.06412	0.8
171.08028	0.8
171.11716	1.0
173.09601	1.6
173.13275	8.2
175.11229	2.3
177.09146	2.5
177.16406	0.8
183.11745	4.2
185.13263	0.9
187.07538	4.2
187.11235	1.6
189.12785	0.8
191.14301	2.2
201.12756	31.0
202.13101	1.3
205.08632	3.9
205.19638	1.0
211.11188	1.2
219.13808	8.2
219.21144	0.8
229.12242	19.5
239.10739	0.9
247.13312	12.4
254.08064	0.9
257.11780	1.7
275.09641	1.5
275.12793	39.7
275.20120	2.7
275.27353	7.6
276.13229	0.9
293.13678	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1103
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	2.5
55.05529	1.5
56.96561	17.4
57.03433	2.3
61.02922	1.3
66.51971	1.0
67.05499	4.2
69.03429	6.6
69.07034	1.1
69.96964	5.9
70.06576	1.4
70.98128	2.6
71.05001	1.9
73.02907	2.7
77.00906	2.1
79.05507	3.1
81.03421	3.9
81.07026	2.2
83.04990	2.2
84.04493	2.3
84.08147	2.2
85.02898	10.4
90.39005	1.0
91.05488	4.2
93.07022	1.7
95.04965	3.0
95.06073	2.0
95.08586	2.0
97.02918	4.2
98.97571	12.9
99.04496	1.2
101.00869	11.3
103.02441	2.1
105.00352	1.3
105.07047	2.7
107.04980	2.8
110.97592	3.5
112.07593	1.6
112.99089	1.1
113.00867	2.0
113.07159	2.7
115.02450	3.5
115.05491	1.3
116.98623	7.6
117.04063	1.7
119.01912	63.1
119.04898	1.4
119.08649	1.8
120.02037	1.6
121.02867	1.7
121.06474	1.5
123.04349	1.3
125.07075	2.3
127.02445	2.9
127.03966	1.7
128.98544	2.4
129.04042	2.5
131.01900	17.6
131.03580	1.6
131.05644	1.5
133.03488	5.6
133.10158	1.8
134.99670	7.4
137.02963	18.0
137.05954	1.6
142.03540	2.5
143.00211	1.8
143.01886	13.0
144.98158	1.6
145.01761	1.5
145.03467	31.7
146.99678	3.8
147.01462	1.8
147.05215	1.7
149.01250	1.3
149.02959	2.8
149.06627	4.8
150.04094	1.2
155.01869	8.2
156.02650	1.7
157.03485	7.4
158.99677	1.8
159.05096	6.0
159.11757	1.9
161.01453	1.7
161.02946	23.5
162.99156	1.7
163.02792	1.3
163.04153	4.6
163.04422	4.7
164.04311	1.2
165.00674	1.5
168.05182	1.6
169.03430	16.4
171.01408	2.2
171.05064	4.8
173.02994	11.5
173.06564	8.8
175.02689	1.4
175.04523	3.8
177.00771	3.0
177.06119	4.5
179.07098	1.6
184.04741	1.3
185.03003	12.1
185.04692	2.1
185.06593	9.1
187.01016	1.2
187.04515	29.1
187.08220	2.1
189.00903	1.8
189.02524	4.4
190.98685	5.7
191.07608	2.6
197.03026	3.8
201.02431	1.2
203.04012	15.4
203.07634	8.7
205.05591	2.7
207.03488	2.1
208.99763	2.3
210.06242	2.2
213.02477	3.1
215.03978	8.0
215.07674	3.0
219.03610	2.1
221.05060	12.6
221.06767	1.2
221.10846	1.2
226.05734	1.4
229.05525	11.2
231.03539	3.0
232.99612	1.7
233.08769	2.0
237.02998	3.6
247.06700	5.5
249.04521	1.4
251.02603	2.9
253.00256	1.6
257.08865	2.6
274.97641	3.9
275.02725	3.0
275.06528	23.6
275.11066	100.0
275.20181	4.4
276.06494	1.7
276.11526	1.5
292.98627	3.6
293.03738	2.2
293.07236	4.7
293.10910	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	275.0483
Annotation	Phenylbenzimidazolesulfonic acid
Peak:m/z	Relative Intensity
68.99713	0.2
69.19856	2.5
69.80013	0.3
79.16898	0.3
80.05016	0.4
81.03394	0.4
91.05473	0.3
92.05002	0.4
95.57589	0.2
108.04473	1.3
131.04930	0.4
158.34770	0.2
182.08444	1.2
193.07596	2.6
194.08398	17.8
195.09190	5.5
209.07103	0.8
210.07913	0.7
211.08675	3.3
224.93819	0.3
226.07375	13.8
227.07968	0.3
229.08734	0.3
232.44966	0.2
257.13022	0.3
275.04846	100.0
276.05139	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.0
58.99868	1.4
65.03923	1.5
67.05493	2.7
68.83485	0.7
69.03416	2.2
70.84058	2.3
81.03416	1.3
82.99867	3.2
83.04947	2.6
85.02899	1.6
93.03394	3.3
95.04961	3.6
97.02878	1.7
101.00882	32.7
103.02438	1.2
104.29306	0.9
105.00345	1.7
109.01356	1.6
111.04458	2.2
111.56603	1.0
113.00854	1.1
115.02412	3.6
117.04000	2.5
118.36935	0.9
119.01923	100.0
120.02042	1.7
121.02853	5.8
127.02414	13.0
128.02368	0.8
129.03970	2.7
131.01939	4.8
133.03470	1.3
135.05038	1.4
137.02953	21.5
139.02422	1.6
139.03848	1.7
141.03949	2.0
142.03508	2.2
143.01874	5.7
143.05540	1.5
145.03461	67.6
146.03625	1.5
147.05051	1.5
151.02417	2.0
153.03955	1.3
155.01958	0.9
157.03471	15.7
159.05040	5.0
161.02980	11.2
161.06627	1.3
163.04553	5.4
167.01883	1.8
169.03458	49.0
170.03606	1.8
171.01381	2.2
171.05031	10.8
173.02937	1.8
175.04456	4.6
177.02393	1.3
177.06029	2.9
179.01836	1.5
183.04950	1.0
185.02946	25.0
185.06581	2.9
187.04521	75.3
188.04605	2.1
189.02470	4.1
189.06058	2.2
191.04112	1.0
195.05009	4.4
197.02936	11.0
201.02455	3.7
203.04007	15.3
205.05591	10.6
207.03452	1.8
208.04643	0.9
210.06201	2.1
211.04544	4.5
213.02409	2.2
213.06084	2.7
215.04018	15.0
219.03468	4.7
221.02982	4.7
227.04019	1.2
229.05588	31.7
230.05731	0.9
231.03502	3.5
239.04059	2.6
247.06645	20.4
249.04523	2.2
257.05090	3.6
270.08298	1.0
275.03073	2.2
275.06110	65.6
276.06329	3.3
293.07120	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	273.1847
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
50.76123	1.5
51.01081	1.6
55.01865	2.3
55.05503	7.1
57.03395	2.2
57.07070	2.2
67.05502	9.4
69.03413	2.3
69.07055	6.2
70.42155	6.0
71.04982	4.8
79.05492	7.9
81.03418	1.9
81.07052	9.0
83.04969	4.3
83.08587	3.6
85.06515	6.0
91.05476	13.5
93.07021	12.1
95.04966	16.1
95.08600	7.5
97.02039	1.8
98.20723	1.6
105.07021	22.4
107.08591	11.1
109.06508	25.9
109.10141	7.0
111.04513	2.2
111.08077	4.5
117.06989	8.6
119.08570	23.8
121.06499	3.3
121.10136	6.3
123.08058	24.7
128.06189	2.7
129.07013	7.6
130.07835	2.5
131.08569	21.5
133.06540	2.9
133.10129	12.0
135.08032	8.0
135.11636	3.7
137.09628	5.1
141.06947	1.9
142.07759	6.4
143.08534	12.9
145.10097	34.8
147.08026	7.3
147.11696	11.7
149.09633	3.4
151.07536	4.1
151.11139	3.5
155.08511	2.4
156.09355	7.7
157.10110	26.5
158.10889	5.9
159.08046	6.5
159.11650	16.1
161.09628	7.4
161.13297	2.7
163.11183	1.9
165.06947	1.9
167.08522	2.2
169.10147	5.8
170.10887	2.9
171.11713	17.2
173.09648	11.9
173.13239	21.7
174.10353	2.8
175.11180	9.5
177.12715	2.6
182.10890	3.5
183.11674	3.8
185.09589	2.2
185.13185	9.1
186.10158	1.6
187.11156	14.6
187.14796	4.7
189.12714	17.7
189.16414	2.3
191.14243	2.6
195.11726	4.9
197.13206	14.2
198.14209	1.8
199.11166	13.4
201.12846	2.5
203.14378	3.4
203.17972	2.3
207.11832	2.9
211.14803	3.8
212.15611	2.4
213.09233	2.2
213.12779	4.3
213.16339	12.1
214.13527	4.8
215.14296	27.7
217.12225	9.7
222.14015	2.7
225.12726	3.6
227.17899	4.3
229.15811	3.0
231.17422	12.5
237.16408	3.9
243.14026	2.0
245.19122	2.7
255.17426	31.5
273.18478	100.0
276.20590	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1847
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
50.27195	1.3
53.03933	2.8
54.05687	1.1
55.01853	4.2
55.05507	26.0
57.03426	3.0
65.03931	1.4
67.05141	1.3
67.05498	18.9
67.76694	1.3
69.07063	10.7
71.36288	2.1
79.05489	13.2
81.07045	20.1
83.04974	3.6
83.08606	10.4
91.04904	2.2
91.05470	33.7
93.07041	15.4
95.04935	3.5
95.08606	12.7
97.06512	3.3
97.10148	4.7
103.05445	1.5
105.03393	1.3
105.07028	35.6
107.04922	2.1
107.08582	8.6
109.06506	4.9
109.10122	2.2
111.08051	2.1
115.05438	5.4
116.06209	2.9
117.07011	35.4
119.04954	1.3
119.08572	18.1
121.06463	1.8
121.10124	3.0
121.57987	1.1
123.08070	2.3
125.09541	1.3
128.06206	8.5
129.07013	15.8
130.07771	8.5
131.08553	63.5
133.06474	2.9
133.10126	11.6
135.08026	4.8
135.11671	2.0
141.06970	3.6
142.07738	2.8
143.08551	47.3
144.09323	3.7
145.06480	2.0
145.10110	69.4
147.08044	8.1
147.11662	3.2
149.09612	3.7
153.01843	1.4
155.08556	2.8
157.10120	17.9
159.08047	2.5
159.11687	18.4
161.09601	8.4
163.11153	2.2
167.08528	2.5
169.10124	8.1
171.11697	8.7
173.09602	1.8
173.13235	3.5
175.11130	4.0
181.10040	4.7
183.11673	2.0
185.13228	4.3
189.12703	2.1
195.11726	5.6
199.11139	2.3
209.13222	2.2
211.14755	1.7
213.12581	1.3
213.16275	1.8
217.15753	3.2
224.45877	1.3
227.17918	4.9
237.16391	12.9
245.18938	2.1
255.17404	13.3
260.37445	1.2
273.18469	100.0
274.18716	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	273.1846
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
50.80960	0.7
53.03935	2.0
55.01870	4.7
55.02084	0.8
55.05508	18.8
57.03435	6.6
57.07059	1.5
63.15754	1.0
64.41293	0.8
65.03910	1.8
67.05498	18.1
68.70831	0.7
69.03408	2.7
69.07062	13.0
70.48627	1.6
70.49006	1.8
71.04974	2.6
73.06529	1.2
79.05486	22.4
81.03380	0.8
81.06597	1.4
81.07048	19.7
83.04967	3.3
83.08607	6.2
85.06543	1.5
91.05474	42.0
93.07037	15.6
95.04961	5.4
95.08596	11.9
97.06530	1.9
97.10147	2.3
98.20905	0.9
103.05447	2.5
105.04441	0.8
105.07027	33.0
107.04932	4.7
107.08588	8.9
109.06512	3.9
109.10147	4.7
111.08030	1.7
115.05428	5.3
116.06223	3.7
117.07009	33.8
119.04907	2.1
119.08572	21.6
121.06482	3.7
121.10116	5.1
123.08044	3.0
125.09602	1.0
128.06209	5.1
129.06999	17.2
129.51192	0.9
130.07758	7.5
131.08557	50.1
132.05695	1.1
133.06499	7.6
133.10120	12.4
135.08038	7.8
137.09589	2.4
141.06995	1.7
142.07768	3.0
143.08546	20.2
144.09325	1.9
145.06456	3.0
145.10115	42.9
147.08032	15.4
147.11653	4.7
149.05984	1.6
149.09619	5.0
153.01726	1.0
153.06967	1.1
155.06009	1.0
155.08513	2.6
156.09306	2.1
157.06400	1.0
157.10120	15.4
158.10843	1.4
159.08099	4.0
159.11678	17.4
161.09607	14.1
163.11128	2.4
167.08618	1.2
169.10107	3.6
171.07974	1.7
171.11665	10.0
171.38464	0.9
173.09653	5.5
173.13222	3.7
175.11195	5.5
175.14818	1.0
177.09030	0.9
181.06409	1.8
181.10178	3.1
183.11678	2.3
185.09662	2.0
185.13248	4.4
187.11176	2.9
189.12703	1.7
195.11661	1.4
199.11147	1.7
199.14844	2.3
201.12706	1.6
203.14427	0.9
207.11844	0.9
209.13220	1.7
211.14764	1.8
212.67731	0.9
213.12645	1.1
213.16385	2.2
217.15904	4.1
227.17970	4.7
231.13789	0.9
231.17398	2.7
237.16324	6.7
241.08588	1.1
245.18977	9.8
255.17422	12.9
273.18466	100.0
274.18707	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.112
Annotation	Warburgin
Peak:m/z	Relative Intensity
51.02380	1.6
53.03927	4.7
53.97820	1.2
55.01862	4.8
55.05514	5.7
57.03406	1.2
59.57058	1.1
65.03928	1.7
67.05515	8.7
69.03423	4.0
69.07066	10.3
71.04999	12.2
77.03934	1.4
79.05495	44.6
80.06285	3.1
81.07063	13.5
83.08572	1.6
91.05479	7.9
93.07037	6.4
95.04968	5.6
95.08622	7.7
97.06528	43.8
97.07164	2.5
97.10179	1.4
102.04672	2.1
103.05476	2.1
105.03391	2.7
105.07019	5.5
107.04927	2.2
107.08597	5.6
109.10150	4.8
111.08061	10.0
111.50843	1.3
112.08165	1.3
112.08855	5.4
115.05448	2.0
117.06996	2.8
119.04938	2.2
119.08575	6.0
121.06512	5.2
121.10147	4.1
123.11724	3.0
128.06255	2.2
129.07010	2.3
130.04149	2.4
131.04930	3.5
131.08586	2.0
133.02873	18.1
133.06523	1.9
133.10129	2.7
134.03627	2.8
135.11691	2.4
137.06039	1.6
137.13260	1.6
141.07024	1.9
143.04916	1.9
143.08560	2.4
145.02832	2.0
145.06477	2.1
145.10164	3.5
147.04419	11.2
147.11699	2.6
149.05991	9.2
149.13258	3.4
151.03856	1.9
151.07550	4.9
152.06187	7.6
153.01831	2.5
153.07001	15.9
155.08594	1.7
157.03912	1.2
157.06517	4.8
157.10188	1.6
159.04417	4.5
159.08037	2.1
161.02359	7.0
161.13197	1.8
162.03128	15.1
163.03908	13.0
163.14830	2.5
165.07050	3.6
167.08591	6.0
169.06479	3.3
170.07271	3.4
171.04453	2.6
171.08018	2.0
173.02347	100.0
175.03935	3.2
175.14873	1.6
176.04773	1.6
177.03912	1.4
177.05482	30.0
177.07024	1.2
177.08960	1.5
181.06479	16.0
182.07249	2.0
185.05966	7.7
185.09615	2.8
186.03070	1.9
187.03946	10.6
187.07500	1.8
189.05408	1.4
189.16463	1.3
195.08044	8.1
197.05962	4.2
198.06773	4.9
199.03914	9.5
199.07510	2.3
199.11232	1.6
201.05457	4.3
203.17975	1.4
207.06529	2.3
209.06012	2.1
211.07744	1.8
213.05664	2.2
213.09113	17.8
215.07028	44.0
217.19447	1.9
218.23799	1.1
223.07594	6.6
226.06239	3.2
241.08575	53.7
242.09009	2.1
255.17322	1.7
273.11224	62.1
273.18530	8.2
273.21133	1.7
273.25815	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	272.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.5
56.96564	18.4
59.10616	1.9
67.05496	2.0
68.05017	2.6
68.18736	1.9
69.03422	3.7
69.07027	2.7
69.61301	15.4
70.06589	7.4
72.04480	2.5
72.08145	2.6
72.87442	1.8
72.93761	1.9
79.05489	4.7
80.05012	2.8
81.03407	3.3
84.04497	4.7
84.08117	3.5
85.02896	5.2
87.74240	2.0
91.05475	4.0
92.04993	2.4
97.02879	4.3
98.21419	3.0
98.97576	6.9
105.05795	2.8
105.07027	2.2
106.06548	4.9
108.04523	2.5
110.06004	2.9
110.07167	2.3
116.98589	3.6
120.08109	3.4
122.06075	3.1
124.07592	2.3
130.06482	3.0
132.08105	2.8
134.06013	7.1
134.09683	2.0
135.04411	3.2
136.07599	3.3
138.05553	2.8
139.10532	1.9
143.00188	11.6
146.06052	3.3
146.99655	2.4
148.07576	5.1
149.08264	2.5
150.05493	3.8
152.07086	14.1
155.04631	6.2
158.99715	2.7
160.03946	4.9
161.01237	14.6
162.05544	4.3
163.03935	4.7
163.07523	2.2
164.03455	7.5
164.07068	7.5
164.10709	2.7
166.04962	1.9
166.08665	9.5
176.07060	4.6
177.00787	2.6
178.04913	11.5
178.08618	9.1
180.06590	7.0
180.10243	3.5
182.08160	3.6
185.01175	3.0
189.00653	3.1
191.09416	23.1
192.06604	6.7
194.08148	17.3
195.08847	1.9
196.06024	10.0
196.09685	9.5
208.09677	6.2
209.10466	100.0
210.07610	13.5
210.11014	3.6
211.08405	5.0
212.09271	2.9
222.07629	45.2
222.11057	2.3
223.08345	7.4
224.09183	29.9
225.09947	25.3
226.10750	23.7
236.09151	17.3
237.09941	31.3
238.10687	4.2
240.08672	57.3
240.12418	7.9
241.09457	94.1
248.99083	5.6
249.02808	9.5
254.10231	20.3
267.03836	15.2
272.06393	10.0
272.11307	89.7
272.14420	7.0
285.05057	5.1
290.05756	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	273.1122
Annotation	Eulophiol
Peak:m/z	Relative Intensity
53.03931	1.4
54.21174	1.0
55.01862	2.3
55.05507	2.1
57.03408	1.9
65.03933	1.2
67.05507	7.3
69.03402	1.4
69.07067	6.5
69.70470	6.2
71.04964	2.7
79.05492	15.2
81.07047	7.2
83.08590	2.3
85.58908	0.9
89.03892	1.2
91.05475	7.4
93.07040	4.7
95.04961	3.5
95.08607	6.2
97.06526	36.2
102.04692	2.2
103.05466	2.3
105.03378	1.5
105.06998	3.9
107.08592	5.2
109.10141	2.9
111.08091	5.4
112.08851	3.4
112.82019	1.0
115.05458	1.4
117.07012	2.5
119.04916	2.4
119.08573	3.5
121.06490	4.2
121.10139	4.0
123.04441	1.7
123.11689	2.4
124.05163	1.0
128.06230	1.5
129.06982	2.7
130.04144	2.9
131.04964	1.5
131.08560	2.7
133.02846	7.3
133.10164	1.8
134.03625	3.1
135.08018	2.1
135.11688	1.7
137.05992	1.6
141.07010	2.2
143.05049	1.2
143.08510	1.9
145.06473	1.4
145.10109	2.4
147.04433	7.0
147.11627	1.6
148.05226	1.7
149.05977	11.3
149.13269	2.2
151.03938	1.6
151.07532	5.2
152.06175	4.9
153.01828	1.9
153.06987	14.6
157.06438	1.2
159.04396	2.5
159.08026	1.3
161.02338	4.2
161.13268	1.3
162.03108	23.8
163.03902	4.2
165.06984	2.8
167.08578	3.6
169.06482	3.0
170.07236	2.0
173.02339	100.0
174.02826	0.9
175.03940	1.3
176.04720	1.6
177.05472	33.6
177.16447	1.4
181.06477	18.5
182.07213	1.9
185.06021	3.5
185.09665	1.9
187.03896	2.7
187.07567	1.4
195.08076	5.5
197.06053	2.9
197.09549	1.0
198.06822	4.7
199.03931	2.5
199.07294	1.5
203.06975	1.0
209.05989	4.3
209.30583	1.0
212.08263	1.0
213.05544	1.6
213.09084	13.1
215.07016	51.9
217.19572	2.5
223.07547	1.8
237.33940	1.1
241.08589	25.4
255.17430	1.2
259.09619	1.3
273.11206	77.1
273.18457	4.0
273.25708	5.7
274.11392	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.1128
Annotation	(S)-Tetraphyllin A
Peak:m/z	Relative Intensity
53.03942	0.6
55.01864	0.7
55.05489	0.7
56.96560	13.1
57.03426	2.9
57.75301	0.4
61.02919	3.0
65.03934	5.3
67.05497	0.6
69.03426	5.6
70.06573	1.3
70.58735	1.4
70.98108	0.4
71.04967	1.4
72.08151	0.6
73.02906	2.4
74.97591	0.6
77.00903	0.4
80.05000	1.1
81.03414	2.6
83.01331	0.6
84.08108	0.5
84.96024	2.8
85.02898	15.3
86.03223	0.5
87.04447	1.5
91.03900	0.7
92.04998	58.5
92.66511	0.5
93.05305	0.7
93.05789	6.1
94.06556	9.4
97.02885	7.0
98.97572	6.8
99.04456	1.3
99.20772	0.4
101.00854	1.1
103.00605	0.6
103.03952	0.6
109.02859	1.5
110.06031	100.0
110.97619	0.6
111.04437	0.7
111.06373	0.4
112.05061	0.6
112.99123	1.1
113.05897	0.4
115.00703	0.6
115.02386	0.8
116.98616	4.8
117.02160	1.4
119.01913	3.8
120.02059	1.0
121.01675	2.0
124.99082	0.6
127.03891	3.0
128.98627	0.6
130.93317	1.3
131.00195	1.6
131.01918	1.4
131.03676	0.7
131.05531	1.0
132.01964	0.5
133.01714	1.1
133.03452	1.7
134.99672	1.9
135.03227	1.3
137.05980	0.9
139.02594	0.8
139.03976	1.2
140.98570	1.0
141.05502	0.6
143.00137	2.3
143.01904	1.5
144.03383	0.5
145.03490	1.8
145.04977	2.2
146.99580	0.6
147.03185	0.5
147.05145	0.6
148.90099	0.5
149.04765	0.7
149.06589	0.7
150.09155	0.9
151.09915	2.2
152.07051	3.4
153.05756	4.8
153.55885	1.2
155.01895	0.9
157.03563	0.7
158.99661	3.1
161.01184	3.1
161.02983	1.5
161.06601	2.4
162.03209	0.9
162.06339	3.1
162.56441	0.6
162.99228	0.9
163.04402	1.0
169.04428	1.5
170.05136	0.7
171.05086	0.5
172.94382	1.4
173.02962	1.0
173.57140	0.5
174.97713	0.6
174.99165	0.5
175.02769	0.6
175.04492	0.4
177.00725	3.5
177.02136	0.5
177.04156	0.9
178.04953	2.0
178.55128	0.7
179.02284	1.0
179.07690	1.3
182.03462	0.8
185.02946	0.7
185.06673	0.6
186.04436	0.5
186.99205	0.6
189.00763	1.2
189.02385	0.6
190.95343	3.3
192.05319	0.6
192.98756	0.8
193.00352	0.6
195.01852	0.7
200.04457	0.7
201.00854	0.5
201.06247	0.6
203.02240	0.5
203.04041	1.1
205.00186	0.7
206.43958	0.5
206.98283	0.4
208.96519	1.6
215.07701	1.0
219.02051	1.6
221.05063	1.0
222.05351	0.4
223.01347	1.1
226.09210	0.5
230.98181	1.1
232.96457	2.3
234.99760	0.9
247.97577	0.5
248.99164	7.0
249.02736	0.8
249.08279	0.5
250.97504	2.3
254.08133	0.5
254.10220	2.5
257.05417	0.6
263.06180	0.7
266.97568	0.9
267.00211	5.2
271.55716	0.6
272.00775	0.7
272.06528	1.0
272.11389	23.3
272.16019	0.9
273.08197	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42640	1.6
55.01875	2.2
55.05507	21.9
57.03424	1.7
57.07065	4.5
67.01863	1.7
67.05503	16.2
68.99775	1.7
69.03420	3.3
69.07061	33.8
69.40249	8.5
69.40678	4.8
71.04983	2.2
79.05476	10.4
81.07050	23.4
83.04963	2.3
83.08611	20.5
85.06533	2.7
91.05476	12.1
93.07057	9.4
95.08054	1.1
95.08609	25.1
97.06538	4.1
97.10163	17.5
101.46043	1.4
105.07024	6.8
107.08588	9.2
109.06532	1.9
109.10159	12.4
111.08088	1.8
111.11727	8.4
112.07603	3.5
117.07034	2.7
119.04980	7.2
119.08555	7.6
121.02826	2.1
121.06527	1.7
121.10166	10.7
123.08035	2.1
123.11707	4.4
125.09612	2.1
125.13257	2.1
125.62354	1.8
129.06990	2.3
131.41228	1.5
133.10158	8.8
135.11682	10.2
137.09587	1.6
137.13235	2.6
138.50111	1.6
139.11165	1.9
144.05650	2.3
147.11652	6.0
149.13210	1.8
151.11195	2.6
151.14861	2.1
152.06210	2.4
153.01831	12.0
153.07021	3.4
153.12653	2.0
155.08546	2.2
157.12173	1.7
159.08057	11.2
161.13229	4.8
165.07002	11.9
165.12712	2.2
173.09718	1.8
175.14705	1.9
179.14171	2.1
181.06554	2.2
183.08087	6.0
196.05180	2.1
210.06642	1.7
211.07587	6.0
217.19530	13.3
235.20601	9.2
239.06966	2.1
248.86244	1.5
253.21581	3.8
254.15590	1.9
271.05994	100.0
271.09503	14.1
271.14246	3.7
271.17041	5.1
272.06332	5.4
283.55823	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1691
Annotation	9,9'-Diapo-10,9'-retro-carotene-9,9'-dione
Peak:m/z	Relative Intensity
51.76451	0.8
53.03947	1.6
55.01871	5.2
55.05508	22.9
57.03428	2.9
67.05500	18.2
69.03415	1.7
69.07062	7.8
70.75378	0.8
70.75727	3.1
71.04995	1.1
73.48076	1.1
76.52362	0.9
79.05488	23.5
81.03378	1.6
81.07054	18.0
83.04990	1.7
83.08617	5.3
85.06511	1.1
91.05477	17.6
93.07034	9.0
95.04971	2.0
95.08617	7.1
97.10163	5.1
103.05441	1.3
103.31214	0.8
105.07020	10.1
107.04949	3.4
107.08575	11.1
109.06504	2.4
109.10153	4.6
111.08044	1.3
112.97555	0.9
115.05454	14.9
116.06212	1.9
117.07015	45.8
119.04931	3.0
119.08581	11.2
121.06464	2.6
121.10109	1.3
125.09635	4.4
128.06216	8.6
129.06984	11.1
130.07790	1.8
131.08554	14.6
133.06465	2.5
133.10095	3.8
135.08070	5.8
141.06985	6.1
142.07753	5.2
143.08556	23.8
144.05716	2.2
145.06479	56.8
145.10114	9.2
146.06944	0.9
147.08023	6.2
153.01833	6.6
153.06972	1.7
153.09064	1.5
154.07698	1.9
155.08542	13.7
156.09320	1.1
157.06491	1.8
157.10117	14.2
158.07202	2.8
159.08044	33.6
159.11627	1.9
160.08797	1.5
161.09587	3.2
167.08629	1.3
169.10091	6.6
171.08084	4.2
171.11630	2.7
172.08708	0.9
173.09647	15.0
173.11145	1.6
175.07504	1.0
175.11200	2.1
181.10162	1.6
183.08073	1.4
183.11678	4.8
184.12601	1.1
185.09570	2.9
185.13133	1.1
186.10313	1.5
187.11153	1.5
187.24525	0.9
193.10139	2.4
195.11638	1.0
197.09563	2.1
197.13257	1.6
199.10950	1.1
201.12738	1.0
202.45583	0.8
205.10147	0.9
207.11655	1.3
209.13329	1.7
211.11137	2.4
211.14700	1.6
225.16386	6.2
227.14404	1.4
229.15845	1.4
235.14813	4.1
241.09683	1.7
243.17422	8.9
253.15826	11.3
271.06018	43.5
271.14529	3.7
271.16907	100.0
272.06329	2.1
272.17249	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	271.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78426	0.3
51.02400	0.3
53.03950	0.4
55.01865	1.0
55.05499	1.0
57.07071	0.3
60.77596	0.3
65.03917	0.6
67.01865	1.7
67.05489	0.9
68.99796	1.1
69.03413	0.5
69.07073	0.3
71.51090	0.4
71.51515	0.3
71.61597	0.3
79.05491	1.2
81.03426	0.7
81.07060	1.2
83.04981	0.3
91.05483	4.4
93.07038	0.8
95.04970	1.3
95.08585	0.5
95.63306	0.3
97.06497	0.5
98.06777	0.3
103.05415	0.3
105.03466	0.3
105.07028	1.7
107.04941	0.9
109.02855	0.3
109.06508	0.5
109.10131	0.3
115.05488	1.6
117.06999	1.0
118.04114	0.3
119.04940	7.0
119.08568	0.8
121.02879	1.7
121.06476	0.7
121.10117	0.3
128.06194	1.9
129.06975	2.7
131.04875	0.5
131.08572	0.7
131.42780	0.3
134.03676	0.4
135.04439	0.4
135.07967	0.3
137.05966	1.4
141.06993	9.6
142.07784	2.9
143.08569	3.2
144.05740	0.3
145.02817	1.8
145.06490	0.9
145.10103	0.3
147.04361	0.3
149.05986	0.7
152.06200	1.8
153.01823	10.2
153.03015	0.6
153.06995	8.3
154.07782	2.1
155.04958	0.6
155.08557	8.6
156.09200	0.4
157.06473	1.7
157.10101	1.5
159.04471	0.3
159.08064	0.5
161.05989	0.5
163.03853	0.8
165.07008	14.2
166.07762	1.0
167.08614	2.1
168.05695	2.7
168.09329	3.5
169.06456	3.6
169.07632	0.3
169.10121	2.4
170.07309	0.7
171.02940	1.3
171.08046	0.8
171.11752	0.6
173.09596	0.8
175.11151	0.3
177.05574	0.3
178.07797	2.3
178.30014	0.3
179.08549	1.0
181.06483	5.0
181.10095	0.9
182.07245	2.7
183.08051	7.7
183.11681	8.8
183.13260	0.6
184.08566	0.3
185.06009	1.6
185.09598	0.7
187.07602	0.5
189.05455	1.7
193.06364	2.1
193.10156	3.2
194.07288	0.6
195.08058	0.9
196.05237	1.1
196.08864	1.5
197.05972	1.6
197.09671	0.8
199.07523	0.6
200.08409	0.6
201.09009	1.5
207.04428	0.9
209.05913	0.5
210.06851	0.9
211.07597	6.2
211.11168	12.3
212.08270	1.2
213.05444	0.4
213.09041	0.7
215.07118	0.4
215.14175	0.3
221.05966	2.3
221.09595	1.0
223.07835	0.3
225.05461	0.8
225.09161	0.8
227.06972	0.6
228.07903	1.0
229.04987	0.5
229.08603	1.0
239.07092	2.0
239.10672	8.7
241.08585	0.4
242.09390	1.0
243.06461	0.6
243.10185	1.1
243.13795	2.2
246.90924	0.3
253.12277	0.6
256.07114	0.5
257.07996	0.4
257.11804	0.9
271.06036	100.0
271.09576	16.0
271.13306	7.7
271.24283	0.6
272.06345	3.8
272.09601	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03948	1.0
53.03939	1.6
55.01882	5.8
55.05504	1.7
55.91122	0.9
67.05498	1.0
69.03419	1.4
69.07062	1.4
69.20837	2.5
69.21244	9.3
76.69975	0.9
79.05464	1.8
81.07034	3.5
89.03889	1.9
91.05470	15.1
93.07021	2.1
95.04949	3.4
95.08593	1.5
98.21590	1.8
105.07023	1.3
107.04919	5.2
109.02824	1.3
111.34956	1.0
115.05489	5.1
118.04196	1.8
119.04945	11.6
119.08527	1.2
121.06490	3.1
123.04417	2.0
128.06201	1.8
129.07005	2.6
133.06505	1.7
134.03609	2.2
135.04379	1.3
137.05968	7.8
139.05441	1.1
140.06169	2.9
141.06984	5.8
145.06441	1.2
147.04364	2.6
149.05997	3.3
151.03873	1.3
152.06184	8.1
153.01884	1.5
153.06981	33.6
154.07732	3.1
155.04912	1.6
155.08530	17.6
157.06480	4.7
165.06998	78.9
167.08577	1.2
168.05699	12.4
169.06473	6.7
170.07239	3.0
171.08044	1.3
179.08527	2.1
181.06477	18.6
182.07237	9.1
183.08044	41.5
185.06013	6.6
193.06351	13.4
193.07970	1.2
194.07179	2.2
195.07973	1.4
196.05196	8.1
197.06013	6.5
198.06706	1.9
198.14923	2.0
199.07555	3.4
200.08235	4.3
207.04353	3.6
209.05936	3.4
210.06720	4.5
211.07536	42.0
212.08224	6.9
213.05498	2.7
213.08998	2.7
215.10655	1.6
221.05968	16.3
225.09055	5.0
226.14470	1.2
227.07100	1.3
228.07776	4.2
239.06998	9.6
240.07840	1.0
242.09317	5.7
243.10114	6.0
253.08633	2.1
256.07349	1.7
257.08145	1.4
271.06085	12.2
271.09613	100.0
272.10040	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	271.0963
Annotation	Amoenumin
Peak:m/z	Relative Intensity
52.03948	1.0
53.03939	1.6
55.01882	5.8
55.05504	1.7
55.91122	0.9
67.05498	1.0
69.03419	1.4
69.07062	1.4
69.20837	2.5
69.21244	9.3
76.69975	0.9
79.05464	1.8
81.07034	3.5
89.03889	1.9
91.05470	15.1
93.07021	2.1
95.04949	3.4
95.08593	1.5
98.21590	1.8
105.07023	1.3
107.04919	5.2
109.02824	1.3
111.34956	1.0
115.05489	5.1
118.04196	1.8
119.04945	11.6
119.08527	1.2
121.06490	3.1
123.04417	2.0
128.06201	1.8
129.07005	2.6
133.06505	1.7
134.03609	2.2
135.04379	1.3
137.05968	7.8
139.05441	1.1
140.06169	2.9
141.06984	5.8
145.06441	1.2
147.04364	2.6
149.05997	3.3
151.03873	1.3
152.06184	8.1
153.01884	1.5
153.06981	33.6
154.07732	3.1
155.04912	1.6
155.08530	17.6
157.06480	4.7
165.06998	78.9
167.08577	1.2
168.05699	12.4
169.06473	6.7
170.07239	3.0
171.08044	1.3
179.08527	2.1
181.06477	18.6
182.07237	9.1
183.08044	41.5
185.06013	6.6
193.06351	13.4
193.07970	1.2
194.07179	2.2
195.07973	1.4
196.05196	8.1
197.06013	6.5
198.06706	1.9
198.14923	2.0
199.07555	3.4
200.08235	4.3
207.04353	3.6
209.05936	3.4
210.06720	4.5
211.07536	42.0
212.08224	6.9
213.05498	2.7
213.08998	2.7
215.10655	1.6
221.05968	16.3
225.09055	5.0
226.14470	1.2
227.07100	1.3
228.07776	4.2
239.06998	9.6
240.07840	1.0
242.09317	5.7
243.10114	6.0
253.08633	2.1
256.07349	1.7
257.08145	1.4
271.06085	12.2
271.09613	100.0
272.10040	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	271.0595
Annotation	Apigenin
Peak:m/z	Relative Intensity
62.58644	0.2
62.81535	0.2
65.03920	0.2
67.01863	2.1
67.05488	0.4
68.99789	1.9
69.07058	0.2
69.31478	0.3
69.31890	1.5
81.07047	0.3
91.05488	1.8
95.08596	0.3
107.08582	0.3
119.04938	5.6
121.02866	3.0
121.10122	0.3
129.01811	0.4
133.10085	0.3
141.06978	0.2
145.02834	2.6
153.01826	11.8
163.03896	1.5
169.06490	0.4
169.10143	0.2
171.02873	3.1
187.03831	0.3
197.06068	0.4
202.06117	0.2
203.07100	0.6
211.14728	0.2
225.05545	1.1
229.04932	0.8
243.06572	0.9
247.06146	0.3
271.05997	100.0
272.06311	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	271.0962
Annotation	Amoenumin
Peak:m/z	Relative Intensity
52.22529	0.4
53.03939	0.7
55.01879	2.5
55.60646	0.4
55.85738	0.5
63.35887	0.4
65.03912	0.5
67.01849	1.5
67.05483	0.9
68.99776	0.8
69.69316	3.1
71.04990	0.4
79.05475	0.8
81.03421	0.5
81.07054	0.8
83.08627	0.4
89.03888	0.5
91.01773	0.4
91.05480	8.3
93.07029	0.9
95.04958	1.3
95.08605	0.8
98.20820	0.6
98.35223	0.4
105.07008	0.8
107.04949	1.9
109.10123	0.5
113.38342	0.4
115.05450	1.3
118.04150	0.9
119.04935	9.0
121.02869	1.1
121.06479	1.7
123.04382	0.9
124.05285	0.5
129.06966	1.6
133.06415	0.6
133.09985	0.5
134.06023	0.5
135.04427	0.7
137.05984	3.0
141.06981	2.4
143.08469	0.7
145.02846	1.0
145.06448	0.7
147.04355	0.6
148.07568	0.6
149.05940	1.2
150.06685	0.8
152.06160	2.6
153.01825	11.8
153.06985	12.2
154.07744	1.3
155.08548	5.7
157.06473	1.2
158.29510	0.4
163.03888	0.7
165.06990	29.4
166.07581	0.7
168.05701	5.5
169.06444	3.3
170.07236	0.6
171.02881	0.9
171.08009	0.8
173.05865	0.7
179.04887	0.7
180.05757	0.6
181.06485	7.2
182.07288	2.4
183.08055	14.3
185.05974	2.3
193.06308	4.1
194.07173	0.8
196.05199	3.2
197.05997	2.7
197.09677	0.6
198.06709	1.1
199.07454	0.8
200.08313	2.1
207.04388	2.5
209.05995	0.7
210.06769	1.5
211.07533	16.4
212.08298	2.0
213.05411	0.7
213.09059	1.0
221.05977	6.1
225.05449	1.1
225.09096	1.8
228.07774	2.0
234.79364	0.5
239.07013	4.0
241.08719	0.5
242.09300	1.2
243.06496	0.7
243.10185	2.0
253.08650	0.6
271.05994	100.0
271.09583	42.0
271.24161	1.2
272.06308	2.1
272.10074	1.6
289.15396	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.06
Annotation	Apigenin
Peak:m/z	Relative Intensity
58.25478	0.1
63.60789	0.1
63.87529	0.1
67.01861	1.5
68.99783	1.0
69.66752	0.1
70.63228	0.3
81.03415	0.1
85.63539	0.1
91.05476	1.4
96.26215	0.1
99.59092	0.1
111.00826	0.3
119.04935	4.8
121.02861	1.4
125.02340	0.2
129.01843	0.3
137.05923	0.1
141.07014	0.2
145.02832	1.2
153.01825	11.1
163.03928	0.8
165.07037	0.2
169.06451	0.2
171.02895	0.9
187.03925	0.4
197.05945	0.2
198.95430	0.1
202.06226	0.1
203.07068	0.2
225.05479	0.5
229.04959	0.5
243.06525	0.7
247.06161	0.2
271.05997	100.0
272.06323	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	271.0596
Annotation	Apigenin
Peak:m/z	Relative Intensity
53.46177	0.1
54.16897	0.1
65.03941	0.2
67.01866	1.6
68.99447	0.1
68.99789	1.0
69.03442	0.1
71.21653	0.1
71.21992	0.1
75.66638	0.1
76.12233	0.1
83.01333	0.1
85.96145	0.1
89.36399	0.1
91.01838	0.1
91.05484	1.8
95.05000	0.1
97.02898	0.1
109.02906	0.1
111.00796	0.1
115.05429	0.1
119.04942	5.7
121.02865	1.6
122.45419	0.1
125.02338	0.1
129.01852	0.3
131.04996	0.1
141.06982	0.3
145.02841	1.5
153.01826	11.2
154.02156	0.1
155.04956	0.1
157.06474	0.1
163.03882	1.0
163.96945	0.1
169.06503	0.3
171.02890	1.1
173.05951	0.1
187.03896	0.4
197.06029	0.3
203.07031	0.2
211.04066	0.1
225.05492	0.5
226.06017	0.1
229.04967	0.6
243.06494	0.7
247.05983	0.2
253.04985	0.2
254.05862	0.1
271.06003	100.0
272.06332	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0599
Annotation	Apigenin
Peak:m/z	Relative Intensity
53.03928	0.1
53.76537	0.1
54.16039	0.1
55.05502	0.1
57.07055	0.2
65.03916	0.2
67.01863	1.7
67.05512	0.1
68.99781	1.0
69.03403	0.1
69.60738	0.3
69.61144	0.2
71.04982	0.1
79.05481	0.1
81.03413	0.5
81.07064	0.1
83.01324	0.1
85.02892	0.1
85.06528	0.3
88.44274	0.1
91.05482	1.6
95.04964	0.1
97.02886	0.1
99.04440	0.3
105.07005	0.1
109.02866	0.4
111.00784	0.1
111.08018	0.1
119.04937	4.9
121.02861	1.8
121.10129	0.1
125.02341	0.1
127.03919	1.4
129.01817	0.3
131.04892	0.2
137.02287	0.1
141.07001	0.3
145.02837	1.3
153.01825	11.0
153.06973	0.2
154.02098	0.1
155.04976	0.1
157.06459	0.1
163.03922	1.0
165.06970	0.5
168.05716	0.1
169.06454	0.3
171.02899	1.2
173.05959	0.2
181.06450	0.2
183.08029	0.4
185.06012	0.1
187.03889	0.5
193.06424	0.1
197.05989	0.4
203.07062	0.2
211.07538	0.3
215.06970	0.1
221.05914	0.1
225.05437	0.7
229.04996	0.5
243.06488	0.7
247.05960	0.2
253.04906	0.3
271.06003	100.0
272.06339	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85020	0.2
55.01844	0.3
55.05499	0.4
56.96548	1.0
57.03421	0.3
58.62694	0.2
65.03930	0.5
67.01861	1.4
67.05492	1.0
68.72891	0.2
68.99780	1.2
69.03429	1.4
69.07053	0.4
70.63769	0.7
70.64137	0.4
73.02908	0.4
76.51595	0.2
77.35924	0.2
79.05499	1.6
81.07056	2.0
83.04975	0.7
84.96027	0.2
85.02889	0.4
91.05473	3.2
93.07016	0.8
95.04945	0.3
95.08615	0.4
97.02882	0.5
98.97577	6.9
105.07021	1.4
106.63756	0.2
107.04954	1.2
107.08591	4.0
108.08897	0.3
109.06522	0.6
109.10120	1.3
110.97568	4.0
111.00801	0.2
111.97842	0.3
115.05484	0.5
116.98633	2.5
117.06963	0.3
119.01846	0.4
119.04944	5.1
119.08581	0.4
121.02869	1.7
121.06467	0.4
121.10185	1.1
122.07247	1.1
123.08058	0.3
124.99104	0.4
127.03886	0.6
128.98605	4.2
129.01877	0.4
131.08542	0.7
133.10123	5.7
134.10487	0.5
134.99663	0.8
135.08049	2.0
135.11688	0.3
137.09618	5.4
138.09952	0.3
140.02287	0.3
141.06976	0.3
143.00162	1.1
144.97939	0.2
145.02835	1.7
146.99672	1.6
148.49837	0.2
149.09641	0.3
149.13258	0.8
153.01828	12.1
153.06998	0.4
155.08476	0.3
158.99640	0.8
161.01222	1.0
163.03909	0.9
165.07034	1.4
169.06561	0.5
170.99651	2.8
171.02841	1.6
173.01184	0.6
173.13251	0.3
175.14954	0.3
176.03336	1.6
177.00731	0.7
181.06358	0.2
182.99606	0.5
183.08041	0.8
185.03911	1.4
185.05345	0.2
187.03897	0.2
189.00732	2.8
191.14278	4.7
192.14604	0.4
193.15887	0.6
196.54742	0.3
197.06023	0.4
201.00688	0.7
207.27153	0.2
211.07632	0.5
225.05409	0.7
229.05049	0.5
231.01762	2.1
239.06958	0.2
243.06464	0.6
249.02821	8.6
250.03081	0.4
253.05060	0.4
267.03903	1.4
271.06003	100.0
272.06671	1.4
291.03891	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	270.0794
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04996	0.5
58.99584	3.2
59.05778	0.3
67.05511	0.5
69.86266	1.2
69.86674	0.6
70.82719	0.3
71.05000	3.1
77.00629	12.4
79.05480	0.5
79.73232	0.3
80.04246	0.3
80.05013	0.8
85.06534	0.3
95.04972	0.6
96.04496	5.2
97.02868	0.5
106.06554	4.1
107.04940	0.6
122.02396	0.8
123.04407	0.4
124.03952	100.0
125.04292	0.4
126.05543	2.7
140.03435	4.2
148.07588	1.9
151.03885	0.9
158.65094	0.3
166.08659	0.4
176.07144	1.0
182.06358	0.6
194.08130	12.3
200.03766	7.2
202.05287	0.9
210.11212	0.4
216.17012	0.3
252.06865	0.7
270.07928	15.4
270.12778	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.0794
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21758	0.5
57.25325	0.5
58.99583	2.7
61.90711	0.5
69.75655	3.1
71.04150	0.5
71.04996	3.1
77.00203	0.9
77.00624	12.9
79.05457	0.7
80.05025	0.9
84.08153	0.5
86.09710	0.6
96.04477	5.4
98.53832	0.5
106.06557	3.6
107.04982	0.7
120.08109	0.6
122.02403	1.1
124.03943	100.0
126.05495	2.8
140.03436	3.4
148.07549	1.5
176.07108	1.9
182.06403	0.9
194.08102	11.3
200.03757	6.2
202.05331	1.5
212.04739	1.7
225.85139	0.5
227.07047	3.7
255.06552	2.8
270.07953	17.0
271.05994	0.9
271.08878	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.211
Annotation	15-Methoxyisodauc-3-ene-1beta,5alpha-diol
Peak:m/z	Relative Intensity
53.03920	2.8
55.01875	7.3
55.05509	37.1
57.03434	17.5
57.07061	4.8
63.40081	1.2
65.03918	2.4
67.05505	66.2
69.03416	2.3
69.07067	51.5
69.96474	6.2
71.01352	1.3
71.04994	9.4
71.08617	1.3
73.06567	2.9
73.27061	1.2
79.05492	39.8
81.07054	100.0
82.07327	1.3
83.04969	11.3
83.08163	1.9
83.08621	28.2
85.06536	7.0
91.05477	19.1
93.07041	64.1
95.04955	5.3
95.08604	81.7
97.05938	1.4
97.06530	17.3
97.10162	15.9
99.08085	2.8
105.07033	12.1
107.07899	1.6
107.08591	29.3
109.06538	2.5
109.10153	32.3
111.08075	7.2
111.11703	2.5
117.07002	6.3
119.08590	9.7
121.10142	37.5
123.08087	2.8
123.11691	11.6
125.09597	2.7
131.08557	8.8
133.10149	14.1
135.08005	2.0
135.11688	11.3
137.09645	3.5
137.13271	1.7
139.11171	12.3
145.10161	6.2
147.11644	4.0
149.09615	3.2
149.13242	25.2
151.11212	4.3
157.10245	1.4
159.11679	10.8
161.13196	1.9
163.11119	2.8
167.10637	1.4
173.02391	2.3
173.13225	2.8
175.72667	1.3
177.12724	5.7
181.12289	1.5
187.13295	3.8
187.14830	2.0
191.17952	1.4
195.13782	8.7
201.01810	2.4
201.05951	1.2
201.14851	1.4
203.03429	2.2
203.12770	4.0
205.19563	2.4
215.17957	11.3
223.20564	1.7
227.06973	1.3
233.19017	19.3
241.08466	1.3
251.20052	67.9
269.08026	3.9
269.12711	3.1
269.17441	17.4
269.21085	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	269.2109
Annotation	Epijuvabiol
Peak:m/z	Relative Intensity
53.03938	2.4
55.01862	3.9
55.05506	24.4
57.03423	2.3
57.07078	8.3
65.03915	3.3
67.05500	90.3
69.03408	3.5
69.07063	30.7
71.04978	12.2
71.08631	4.3
71.50530	1.7
73.02907	1.9
79.05073	3.0
79.05490	31.4
81.03397	2.7
81.07049	94.8
83.04972	4.5
83.08599	18.9
85.02876	2.0
85.06537	9.3
91.05467	17.6
92.51550	1.6
93.07039	52.9
95.04959	3.6
95.08602	100.0
97.02873	3.0
97.06535	8.9
97.10157	11.2
99.08088	2.1
105.07027	12.0
107.08586	31.0
109.10146	53.7
111.08070	4.0
111.11700	2.8
117.07009	4.0
119.08549	11.9
121.06493	3.9
121.10136	41.2
123.08027	2.2
123.11702	18.1
125.02361	1.9
125.05946	2.2
125.09631	3.2
131.08603	9.6
132.84384	1.6
133.10114	18.4
135.08069	5.6
135.11685	28.4
137.09583	6.1
137.13229	3.4
139.07486	2.2
141.09082	2.2
142.13969	1.6
145.10109	9.1
147.11696	7.9
149.09608	5.5
149.13245	11.7
151.11194	7.8
153.09129	4.4
157.66403	1.8
159.11687	8.0
167.10796	1.9
173.13249	5.4
181.06589	3.8
181.12215	2.3
187.14856	2.5
191.17934	30.0
195.13716	3.0
208.05263	1.9
209.09767	2.0
209.19020	17.3
215.17932	17.6
219.08124	1.8
226.06261	4.0
227.07063	2.5
227.20015	2.2
233.18895	12.4
241.08597	5.1
249.07149	2.1
251.20108	17.4
269.08096	9.2
269.11765	5.7
269.21072	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	269.2111
Annotation	Epijuvabiol
Peak:m/z	Relative Intensity
53.03936	2.5
55.05516	21.7
57.03426	5.7
57.07077	3.5
61.25895	1.5
65.03925	2.0
67.05506	84.2
68.36943	1.4
69.03410	3.0
69.07069	25.8
69.75384	10.2
71.04991	16.5
79.05493	33.9
81.07056	100.0
83.04965	5.5
83.08623	17.5
85.06542	9.3
91.05487	24.3
93.07043	58.3
95.04969	4.8
95.08607	96.6
97.06533	8.8
97.10164	10.2
99.08114	1.9
105.07037	16.2
107.08591	34.0
109.06494	4.8
109.10155	51.5
111.08069	4.3
111.11700	3.2
117.07008	6.8
119.08578	19.7
121.06502	7.8
121.10139	31.4
123.08043	5.5
123.11706	16.7
125.02358	3.6
131.08554	19.0
133.10121	29.8
133.21974	1.8
135.08028	10.2
135.11705	17.7
137.09615	11.3
137.13242	7.4
139.07553	2.3
141.09161	2.5
143.08464	1.7
145.10095	10.5
147.11690	8.5
149.09613	6.5
149.13254	13.7
151.11200	14.0
151.14818	2.3
153.09081	9.3
155.10669	2.5
159.11703	12.7
163.11169	4.3
167.10753	4.7
170.21275	1.6
171.11664	2.2
173.13264	7.6
177.06981	1.6
177.12726	5.4
180.05760	1.9
181.12212	3.8
187.14807	4.0
189.16266	3.9
190.39479	1.6
191.17932	11.7
195.13818	5.7
198.06882	1.7
203.18088	1.8
205.19627	1.7
208.05206	2.6
215.17950	33.7
233.19003	15.4
243.70227	1.7
251.20041	23.4
269.08093	5.6
269.11664	3.8
269.17523	5.7
269.21100	16.7
270.08722	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1748
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.00273	1.2
53.03936	4.9
53.63765	1.1
55.01871	4.8
55.05511	21.1
55.40452	1.1
57.03441	38.5
57.07072	4.3
65.03957	3.0
65.75902	1.3
67.05506	77.5
69.03413	2.5
69.07068	28.9
70.96004	2.1
70.96351	1.1
71.01353	1.3
71.04998	10.9
71.08632	1.5
79.05494	42.2
81.03426	1.8
81.07058	100.0
83.04981	9.0
83.08624	18.0
85.06546	7.7
87.35040	1.2
91.05479	23.7
93.07044	69.1
95.04982	9.0
95.08611	30.7
97.06533	17.5
97.10165	2.3
99.08086	5.0
105.07030	9.5
107.04968	2.1
107.08598	35.9
109.06513	4.4
109.10154	8.7
111.08085	9.9
113.06061	1.4
117.07014	9.8
119.08580	5.0
121.06530	3.6
121.09343	1.8
121.10149	23.5
123.08118	1.6
123.11683	2.6
125.02335	5.3
131.08569	11.5
133.10141	10.2
135.08060	3.6
135.11696	10.9
136.23091	1.2
139.11200	2.9
145.10121	2.3
147.11646	3.2
149.13260	49.0
151.11214	1.3
157.10188	2.4
159.11673	16.2
165.05336	1.2
171.11752	1.3
177.12743	9.7
181.06493	2.3
185.13187	1.7
195.13826	11.9
197.05855	1.4
198.06670	1.6
199.14734	1.4
208.05287	1.5
209.09789	1.6
226.06219	2.1
237.09349	1.7
241.08627	1.7
243.36313	1.3
251.19945	1.5
269.08026	5.6
269.12286	6.4
269.17465	35.0
269.22617	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	269.1747
Annotation	[3S-[3lphaa,4beta,5beta,7beta(1R*,4S*)]]-7-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-1-oxaspiro[2.4]heptane-4,5-diol
Peak:m/z	Relative Intensity
53.03934	4.5
55.01861	3.9
55.05511	22.6
57.03440	33.0
57.07061	3.5
65.03928	3.0
67.05505	77.6
69.07071	28.7
71.04977	7.0
71.08615	1.6
79.05492	48.1
81.03416	1.3
81.07056	100.0
83.04977	10.9
83.08163	1.4
83.08618	19.6
85.06535	4.9
91.05476	29.2
93.07047	63.6
94.07359	1.6
95.04962	7.2
95.08607	24.1
97.06530	17.6
97.10165	3.4
99.08074	4.2
105.07026	10.4
107.08591	33.4
107.09318	2.4
109.06517	4.8
109.10135	4.8
111.08103	7.2
113.06052	1.1
117.07026	10.5
119.08546	3.3
121.06507	1.7
121.10148	19.8
123.11678	4.0
131.08585	13.6
133.10124	15.6
135.08064	2.6
135.11691	13.3
135.64565	1.0
147.11673	1.6
149.13268	40.6
151.11140	1.9
153.07040	1.1
159.11688	24.9
161.13165	1.3
167.14304	1.5
177.12756	12.1
195.13803	14.7
213.14781	1.5
229.13286	1.2
269.17471	48.5
270.17767	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1748
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03931	3.9
55.01880	5.1
55.05513	20.4
56.51632	1.0
57.03440	39.6
57.07075	5.1
58.35696	0.9
65.03927	2.5
67.05509	79.0
69.03412	1.0
69.07072	32.3
71.05004	8.1
71.08633	1.8
72.63310	0.9
72.80830	1.0
79.05495	47.5
81.03413	3.4
81.07059	100.0
82.07401	1.2
83.04989	10.9
83.08160	1.5
83.08624	20.2
85.06532	5.9
91.05488	20.2
93.07048	76.4
95.04965	5.5
95.08613	25.4
97.06537	17.7
97.10156	2.3
98.20785	1.8
99.08092	5.1
105.04450	1.4
105.07030	9.4
107.08598	42.4
109.06487	3.8
109.10164	5.7
110.13390	1.0
111.08089	10.4
113.09581	1.2
117.07019	9.0
119.08559	3.0
120.89886	1.0
121.06519	1.3
121.10153	28.3
123.11684	3.2
125.02338	1.5
129.06998	1.4
131.08582	10.7
133.10146	10.0
135.08061	2.4
135.11717	11.3
139.07623	1.1
139.11151	3.5
147.11687	2.4
149.13269	57.6
150.13579	1.6
151.11198	1.4
157.10130	1.5
159.10471	1.8
159.11693	20.4
167.14362	1.7
173.63872	1.2
177.12732	9.9
181.06468	2.4
191.07013	1.4
195.13809	13.7
213.14761	1.4
220.53888	1.2
251.20035	1.5
260.93723	1.0
269.08032	3.0
269.11621	2.2
269.17465	42.0
269.21994	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1746
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03943	3.4
55.01864	2.8
55.05507	19.6
57.03434	29.8
57.07073	4.0
57.66867	0.8
59.97240	0.8
65.03940	2.4
67.05502	80.8
69.03426	1.2
69.06685	1.4
69.07066	28.7
70.11978	3.8
71.04995	7.4
71.08620	1.8
73.02897	0.9
79.05489	46.8
81.03419	2.4
81.07053	100.0
82.07404	1.2
83.04979	10.6
83.08155	1.6
83.08615	20.0
85.06541	5.9
91.05477	28.0
93.07040	70.7
95.04961	8.2
95.08603	28.4
97.06519	13.5
97.10162	2.8
98.06882	0.7
99.04447	1.0
99.08099	4.0
105.04475	1.0
105.07040	9.7
107.04958	1.5
107.08587	36.3
109.06524	3.1
109.10130	5.2
111.08087	8.6
113.06026	2.1
113.09658	0.9
117.06216	1.3
117.07014	12.7
119.08597	2.2
121.06523	1.8
121.10133	19.3
123.08082	1.3
123.11706	3.3
125.09657	1.1
127.07526	1.4
127.08404	0.8
129.07024	0.9
129.56779	0.7
131.08560	11.7
133.10120	13.7
135.08031	2.7
135.09938	0.7
135.11679	13.1
139.11194	1.6
147.11668	0.9
149.09644	1.3
149.13251	42.2
151.11148	2.2
157.10071	1.6
159.11687	23.5
167.14314	1.8
171.11731	0.9
173.13277	0.8
177.12755	9.8
178.86774	0.7
179.14354	0.8
195.13788	14.4
213.14807	1.3
223.41431	0.7
250.63034	0.9
251.20111	0.9
269.17465	54.9
270.05292	2.1
270.17810	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1746
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03940	4.0
55.01853	4.1
55.05509	22.5
57.03439	42.9
57.07070	4.7
61.56200	1.5
65.03934	2.8
67.05502	84.9
69.03416	1.6
69.07068	33.6
70.76893	5.2
71.04983	7.3
79.05491	50.2
81.03404	4.3
81.07053	100.0
83.04970	10.1
83.08618	18.9
85.06528	3.7
91.05476	26.1
93.07044	70.3
95.04971	6.4
95.08607	26.3
95.72383	1.4
97.06527	19.1
97.10169	1.9
99.08088	3.7
105.07049	9.0
107.08585	38.8
109.06519	3.2
109.10137	6.5
110.41650	1.9
111.08065	9.7
113.09650	2.7
114.32498	1.8
117.06982	10.8
119.08581	3.1
121.10143	29.0
123.08080	2.6
123.11687	2.4
125.09589	2.2
131.08566	11.1
133.10107	10.1
135.07996	2.7
135.11708	13.4
139.11177	2.6
147.11720	2.8
149.13257	48.6
157.10063	1.7
159.11679	21.4
166.17352	1.8
177.12741	14.0
191.07031	2.0
191.14357	2.5
195.13779	15.8
258.05295	2.0
269.08005	5.4
269.11707	4.8
269.17407	48.3
270.05325	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	269.1745
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03935	3.1
55.01865	3.4
55.05511	24.3
56.69364	1.4
57.03159	2.6
57.03436	43.2
57.07065	4.8
57.16377	1.6
65.03922	3.9
67.05500	80.2
69.03423	1.9
69.07066	32.6
71.04982	7.7
71.08637	2.6
71.50067	1.6
71.50447	2.8
79.05491	50.7
81.03399	2.9
81.07050	100.0
83.04967	11.8
83.08619	22.2
85.06535	7.9
89.09723	1.7
91.05469	22.1
92.05807	2.2
93.07038	80.5
95.04979	9.2
95.08598	29.9
97.06516	18.0
97.10152	3.0
99.08101	4.3
105.04644	1.6
105.07029	10.1
107.08595	38.1
109.10136	5.8
111.08088	8.9
111.11778	1.8
113.06000	2.1
113.09657	2.7
117.06998	10.1
119.08590	3.5
121.10133	23.2
123.11700	5.9
131.08578	13.0
133.10138	11.9
135.08055	3.6
135.11661	14.2
139.07458	1.8
139.11168	1.9
143.08484	1.8
149.09726	2.1
149.13257	55.6
159.11710	20.2
175.03908	2.3
177.12794	10.4
195.13863	14.6
251.20117	2.1
269.04733	2.2
269.08090	2.3
269.17444	39.3
270.05283	8.8
270.17874	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1747
Annotation	Arteincultone
Peak:m/z	Relative Intensity
50.40224	1.3
51.68200	1.2
52.24068	1.4
53.03938	2.9
55.01865	4.9
55.05516	23.3
57.03166	2.2
57.03440	37.6
57.07061	5.2
65.03943	1.8
66.53527	1.4
67.05508	73.8
69.03436	1.7
69.07072	34.0
71.04999	6.5
71.08646	2.6
71.51403	1.9
71.51774	1.6
72.45853	1.6
79.05495	44.6
81.03408	3.4
81.07059	100.0
83.04990	10.6
83.08624	19.0
85.06532	5.2
90.92535	1.2
91.05484	24.1
93.07047	71.7
95.04964	6.6
95.08613	30.1
97.06534	17.7
97.10143	3.4
97.27438	1.3
99.08077	4.7
105.07042	6.9
107.08595	36.2
109.06515	3.3
109.10156	6.6
111.08075	10.0
113.09609	1.7
117.06989	10.0
119.08567	4.5
121.06464	2.0
121.09356	1.8
121.10156	24.2
123.11713	2.7
131.08554	10.9
133.10135	8.5
135.08066	3.1
135.11708	9.7
139.07477	1.8
139.11189	2.2
141.05434	2.7
147.11668	1.7
149.09610	1.6
149.13266	51.4
150.13541	2.6
153.05505	2.1
155.03378	3.3
159.11713	18.9
169.04918	5.0
170.05756	11.6
177.12784	8.9
192.06502	1.5
195.13855	12.0
220.85641	1.3
237.09108	1.5
241.08623	2.2
251.20045	1.8
269.08145	4.9
269.11649	3.6
269.17477	36.5
269.22583	4.3
270.08875	1.9
270.17740	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.9826
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14710	1.8
56.98009	1.8
57.83410	1.8
62.03279	1.9
62.28766	2.1
69.75714	5.8
69.76123	5.5
70.62180	2.1
85.52300	2.0
90.40011	2.0
112.37372	1.7
133.71895	2.2
136.94034	5.9
140.42039	1.9
160.84062	1.9
162.95569	6.0
173.51295	1.9
197.91978	2.0
208.68753	2.0
213.80505	2.1
250.93530	2.2
250.97298	2.2
268.98260	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1746
Annotation	[3S-[3lphaa,4beta,5beta,7beta(1R*,4S*)]]-7-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-1-oxaspiro[2.4]heptane-4,5-diol
Peak:m/z	Relative Intensity
53.03944	4.6
53.07042	1.8
55.01863	3.9
55.05511	23.0
57.03434	41.2
57.07056	7.7
65.03933	2.6
67.05502	90.6
69.07068	37.4
71.04980	7.1
71.50812	2.4
79.05492	49.0
81.03410	3.1
81.07053	100.0
83.04199	1.9
83.04982	16.7
83.08616	18.1
85.06528	6.7
91.05473	31.4
93.07042	77.4
95.04956	9.3
95.08602	33.1
97.06535	19.2
97.10152	4.3
99.08056	2.4
105.07031	13.3
107.08588	41.9
109.06520	4.1
109.10130	10.1
111.08031	9.9
117.06990	11.2
119.08552	5.3
121.06503	3.0
121.10135	23.2
123.11707	6.2
129.07024	2.9
131.08560	12.4
132.55402	1.9
133.10149	14.0
135.08046	3.4
135.11668	12.7
147.11670	3.3
149.13260	40.5
151.11133	2.1
159.11697	24.3
167.14293	2.3
177.12761	9.2
195.12241	1.8
195.13782	12.5
209.74309	2.0
215.17934	3.4
216.31256	1.9
233.19083	2.5
251.19986	4.7
269.17432	56.2
276.90036	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	268.104
Annotation	Adenosine
Peak:m/z	Relative Intensity
55.01852	0.2
57.03421	0.2
63.57560	0.2
69.03418	0.2
71.01594	0.4
71.01916	0.2
82.55057	0.2
85.02882	0.4
91.41696	0.2
94.04056	0.3
102.57439	0.2
119.03558	0.7
136.06174	100.0
137.04576	0.4
137.06503	0.3
138.09167	0.2
187.71710	0.2
237.29890	0.2
244.19164	0.2
250.10634	0.2
268.10214	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	268.1179
Annotation	Mortivinacin B
Peak:m/z	Relative Intensity
51.46574	0.5
54.80025	0.4
55.17288	0.4
63.00969	0.4
71.02443	0.9
79.05463	0.4
81.07011	0.5
91.05478	1.2
93.07029	0.7
98.64796	0.4
103.05439	1.7
105.07005	0.5
106.06472	0.4
117.05746	4.2
118.06551	0.6
119.04919	1.3
120.08083	1.3
130.06525	17.6
131.04897	0.4
131.07320	2.3
132.08122	1.0
136.06163	1.3
139.07550	0.4
146.05984	0.6
148.07568	2.2
150.05487	0.6
155.79752	0.4
159.06775	0.4
160.07568	0.5
160.64333	0.4
174.34879	0.4
176.07063	19.4
177.07503	0.4
178.05075	0.9
178.08638	1.6
191.09380	2.6
194.08018	0.7
198.11290	1.3
199.73593	0.4
201.66405	0.4
204.06557	37.5
205.06844	0.6
206.08118	0.9
218.08200	1.0
220.06017	0.6
222.07645	1.9
223.08344	2.4
236.09171	95.1
237.09482	2.2
238.07100	3.3
238.10750	1.2
250.10732	1.2
268.11792	100.0
269.12204	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.159
Annotation	Grangolide
Peak:m/z	Relative Intensity
52.15162	3.2
53.03939	5.9
55.01855	5.4
55.05499	11.2
57.03439	21.0
57.07074	3.6
58.28526	3.2
59.04993	8.0
61.02931	38.5
65.03948	3.9
67.05510	39.7
69.03432	56.2
69.07071	17.0
70.97828	8.9
71.04985	6.2
73.02917	5.3
79.05489	28.3
81.03415	35.3
81.07056	51.5
83.04982	16.9
85.02912	27.6
87.04464	23.8
88.77402	3.2
90.68881	3.8
91.03970	21.8
91.05483	40.9
93.07046	81.1
95.04967	25.0
95.08598	30.8
97.02892	42.0
97.06524	5.4
99.04474	6.6
105.07030	85.9
107.04961	10.3
107.08597	56.2
109.06529	15.7
109.10155	48.9
111.04429	12.6
111.08028	3.8
115.03917	16.6
117.07036	20.8
119.04932	5.0
119.06114	3.5
119.08592	46.2
120.54413	3.0
121.06486	14.1
121.10151	100.0
121.11047	5.8
123.04405	7.8
123.08078	10.2
123.11718	12.3
125.05984	8.5
127.03887	4.7
128.06198	7.6
129.06982	11.4
131.04942	3.6
131.08563	27.0
133.04970	12.3
133.06502	9.2
133.10132	57.8
135.08052	9.1
135.11697	36.2
137.06056	3.4
137.09621	18.1
142.07800	6.4
143.08566	20.8
145.06367	4.8
145.10089	22.9
147.06348	3.9
147.08058	11.8
147.11682	41.2
149.09615	3.4
149.13284	16.1
151.03905	4.6
151.07552	3.9
151.11217	5.4
157.10130	16.4
159.08058	8.2
159.11694	25.9
161.06006	4.3
161.09624	7.9
162.09175	3.6
163.11148	6.7
164.07053	7.9
165.07083	6.3
165.12776	4.0
167.07079	3.9
170.10744	3.8
171.08089	4.1
171.11711	4.4
173.08099	4.9
173.13292	5.0
175.11186	25.1
177.12744	56.0
181.12431	3.7
185.13257	8.0
193.12321	7.7
201.12781	11.0
203.14334	4.7
207.08192	4.0
208.09668	34.0
209.08194	3.5
209.10362	5.3
213.12726	9.3
219.13734	21.8
231.13797	27.8
249.14856	27.9
267.10114	6.6
267.15900	98.7
268.11749	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	267.159
Annotation	Alliacolide
Peak:m/z	Relative Intensity
51.85277	0.9
53.03930	4.7
55.01847	1.7
55.05513	6.1
57.03436	19.9
58.00613	0.9
59.08804	0.9
67.05511	12.2
68.59985	0.9
69.03400	2.4
69.07039	2.6
69.37934	8.8
71.04955	1.8
79.05485	12.8
81.03416	100.0
81.07043	12.4
83.04977	5.2
83.08624	14.6
85.06539	1.2
91.05473	18.3
93.07044	7.2
95.04397	1.4
95.04964	23.3
95.08589	5.2
97.02885	3.3
97.06511	1.9
97.10152	2.1
98.57935	1.0
98.98451	2.1
99.08048	1.3
105.07027	12.9
107.04955	4.7
107.08588	3.5
109.06502	4.2
109.10139	2.6
111.04404	1.6
111.08107	6.4
115.05473	1.4
117.06977	1.1
119.08572	13.5
121.06474	1.9
121.10126	3.9
123.08024	1.8
129.06993	6.7
130.28917	1.0
131.08553	8.2
133.06470	2.3
133.10100	3.8
136.06171	3.5
137.09631	1.5
142.07767	1.7
144.67981	1.0
145.10127	1.3
147.07990	3.1
147.11694	7.3
149.09605	4.0
157.10115	8.9
163.11107	1.3
165.12749	1.2
175.11232	9.7
182.28693	1.0
193.12230	19.1
211.13293	3.2
249.14932	1.6
267.15897	47.9
267.25394	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.161
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52475	0.2
55.05507	0.5
55.42833	0.2
57.03425	0.3
59.04995	0.6
61.02928	1.3
67.05495	0.4
70.80331	0.4
71.04993	2.0
77.25302	0.2
79.05485	0.9
81.03404	0.7
81.07050	3.1
82.89224	0.2
86.34043	0.2
91.05486	0.6
94.04053	1.4
95.04964	0.7
105.07011	0.3
109.02902	0.3
111.19939	0.2
118.06553	0.4
119.03562	2.2
123.04420	0.3
136.06174	100.0
137.04575	1.7
137.06599	0.4
144.04451	0.5
146.06000	1.7
150.07780	0.5
151.03886	0.6
161.05887	0.2
162.09138	0.2
178.08598	1.7
190.08708	0.3
206.08170	0.4
216.06538	0.2
220.09746	0.6
222.11241	2.6
234.13484	20.0
246.31732	0.2
248.09190	0.4
252.48421	0.2
266.10275	5.0
266.16092	47.8
267.10379	0.3
267.16156	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	267.0268
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	15.7
56.43106	13.3
56.84789	12.2
56.96552	26.4
57.03434	24.9
62.32611	13.6
67.05484	18.2
69.03426	38.0
69.84804	83.7
72.08156	13.5
73.02910	38.5
79.05482	39.4
81.07026	24.5
84.04496	16.5
84.08136	15.3
85.02899	52.1
91.05450	30.6
95.04960	27.7
95.08613	17.2
97.02896	41.1
105.07040	17.4
107.04965	26.1
109.02882	17.4
119.01906	58.5
120.08101	24.7
127.03940	21.0
131.01855	14.2
132.78430	16.0
137.02986	15.1
143.01889	20.9
145.03510	17.5
150.05525	100.0
156.97482	33.7
157.03415	16.0
158.99617	12.7
161.02971	21.0
173.02902	25.6
173.06531	12.8
174.98521	48.6
176.69652	15.8
177.04274	16.7
177.05774	22.5
186.04637	26.7
225.06142	19.2
237.06261	15.4
243.07079	21.4
267.06821	25.8
267.16333	17.9
268.11774	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	267.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	1.1
53.03942	8.2
55.01874	6.5
55.05508	1.8
57.03432	8.1
62.31877	0.9
65.03940	3.1
67.05503	20.4
69.03434	4.3
69.07070	2.1
69.59422	6.1
71.01379	1.6
71.04987	2.5
72.08141	1.7
73.02912	3.9
77.03918	1.4
79.05492	18.9
81.03414	36.5
81.07059	7.4
81.15404	1.0
83.01331	1.4
83.04977	2.2
83.08630	3.1
84.08147	1.0
85.02913	1.2
87.04468	3.1
91.05478	31.3
93.07051	8.1
95.04964	100.0
95.08604	5.3
97.02892	5.6
97.06470	1.1
97.10173	1.0
99.00858	1.0
99.04447	2.7
103.05468	10.6
105.03380	5.3
105.04519	3.1
105.07030	20.5
107.04952	16.3
107.08604	1.6
109.02876	4.0
109.06519	4.2
109.10133	1.1
111.04436	1.4
111.08094	3.2
115.05422	7.4
116.06270	1.9
117.07015	8.4
119.04947	3.3
119.08577	18.3
119.53771	0.9
121.06490	8.2
121.10119	1.5
123.04424	36.5
123.08070	2.0
125.02352	4.6
125.06011	1.7
127.03911	1.4
128.06224	8.8
129.06049	1.3
129.07004	27.1
130.06009	0.9
131.04926	9.8
131.08525	5.7
132.05742	3.6
133.02837	5.3
133.06496	17.2
133.10089	1.0
135.04407	16.3
135.07988	1.0
139.03943	1.4
139.05429	1.0
141.07011	2.0
144.05699	2.1
145.06480	11.4
147.04419	1.8
147.08043	33.3
147.11729	1.1
149.05978	10.8
149.09633	2.4
151.03896	92.3
151.07541	4.0
152.05708	1.2
153.05400	4.2
155.06096	1.7
157.05127	0.9
157.06471	19.8
157.10147	2.3
159.04391	14.6
159.08046	3.1
161.05956	7.9
163.03862	1.6
165.05531	2.1
165.09140	1.5
165.12782	1.2
169.05005	2.0
173.06018	3.3
175.07561	24.6
175.11179	1.8
177.01811	1.8
177.05464	12.3
179.03424	1.7
179.07050	2.4
185.05975	10.1
187.07545	1.8
189.05516	1.6
191.07117	1.1
193.08572	11.2
193.12267	3.6
195.06448	1.0
197.04471	2.0
203.05107	1.0
203.07019	20.9
213.05450	3.2
221.08058	21.1
221.10117	1.2
223.11618	1.2
231.06433	5.5
239.09079	1.6
249.07590	13.3
265.43103	0.9
267.08395	10.6
267.15839	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	265.2164
Annotation	(E)-Nerolidol acetate
Peak:m/z	Relative Intensity
53.03942	1.5
55.01866	1.9
55.05505	8.4
55.30732	0.9
57.07071	2.4
62.05882	0.9
65.03947	2.0
66.56400	0.9
67.05506	100.0
69.07067	13.2
71.04980	2.7
71.51447	1.2
71.51816	1.1
79.05487	13.2
81.03410	2.3
81.07056	80.1
83.04965	1.5
83.08619	4.2
85.06535	2.3
86.53185	0.9
91.05470	5.3
93.07039	13.7
95.04961	3.4
95.08607	47.1
97.06530	2.7
97.10162	2.0
99.08112	0.9
102.58016	1.0
105.07033	5.9
107.04947	3.0
107.08602	7.7
109.06489	2.9
109.10159	31.9
117.06989	4.1
119.08581	5.5
121.06505	2.2
121.10159	7.9
122.07146	3.6
123.08060	2.7
123.11708	26.0
129.07045	1.1
131.08554	7.9
133.10101	3.5
135.08061	2.7
135.11685	4.5
137.09587	2.0
137.13235	4.1
144.04715	1.0
145.10138	5.5
147.11685	2.9
149.09610	3.8
149.13228	3.4
151.11191	2.4
159.11678	3.6
161.13229	1.3
163.11198	5.0
163.14842	1.8
163.22694	1.0
173.13295	4.0
177.12724	2.0
181.12138	1.1
186.95331	1.1
187.11139	1.4
187.14777	1.2
191.10663	1.4
191.14439	1.0
195.13794	2.2
201.16359	1.8
209.15283	2.0
219.17334	2.3
229.15863	1.5
229.19463	1.4
247.16924	5.7
247.20602	3.5
250.25357	1.1
265.14777	1.9
265.18088	7.6
265.21609	45.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2161
Annotation	Farnesyl acetate
Peak:m/z	Relative Intensity
52.03185	0.8
53.03942	1.7
55.01871	2.0
55.05513	8.8
57.07072	1.3
62.60542	0.9
65.03931	1.8
65.19834	0.8
67.05504	100.0
69.03448	1.2
69.07069	10.6
69.76291	1.7
69.76706	4.5
70.84254	0.8
71.04984	1.8
71.08618	1.1
79.05489	16.2
81.03417	2.0
81.07053	97.8
82.07341	0.9
83.04960	3.8
83.08621	5.9
85.06524	3.2
91.05469	8.1
93.07042	16.6
95.04961	3.1
95.08604	84.3
96.08926	0.9
97.06549	2.0
97.10169	2.6
105.07039	6.9
107.04971	2.5
107.08597	9.1
109.06542	2.5
109.10155	63.8
110.10558	1.0
111.11723	0.9
117.07002	2.6
119.08572	4.5
121.06493	1.4
121.10131	9.0
122.07154	3.5
123.08032	2.4
123.11707	29.5
123.12604	1.9
125.09637	1.3
131.08540	5.6
133.10101	5.5
133.10970	0.9
135.08044	1.8
135.11673	5.5
137.09578	2.2
137.13235	6.2
145.10164	5.3
147.11699	2.7
149.09602	2.9
149.13248	3.0
151.11180	1.8
151.14790	2.4
159.11711	4.1
161.13237	1.8
161.28825	0.9
163.11177	5.3
163.14856	1.7
165.12755	1.0
173.13232	3.8
177.12762	1.9
181.12222	1.6
187.11206	1.2
187.14732	1.6
191.14267	1.4
195.13782	2.5
201.16426	1.8
205.15794	1.8
209.15334	2.7
219.17407	2.9
223.16870	2.0
229.15912	1.8
229.19511	1.9
247.16962	4.9
247.20587	5.5
265.18033	9.1
265.21616	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	265.2163
Annotation	Farnesyl acetate
Peak:m/z	Relative Intensity
53.03939	2.5
55.01864	2.4
55.05321	1.1
55.05513	12.5
57.07069	3.1
58.35354	1.1
65.03933	3.4
67.05505	100.0
69.07069	16.8
70.90805	1.2
70.91120	2.1
71.04986	2.4
71.08615	1.8
79.05489	20.3
80.93325	1.2
81.03410	1.7
81.07056	94.5
83.04976	5.5
83.08610	7.6
85.06543	4.3
91.05485	13.2
93.07044	17.3
95.04955	5.5
95.08607	81.2
97.06544	2.8
97.10165	3.5
105.07026	13.4
107.04961	3.9
107.08581	15.1
109.06514	3.3
109.10155	64.4
111.08087	2.3
115.97448	1.2
117.07004	4.8
119.08575	8.5
121.06516	4.7
121.10120	11.5
122.07165	5.8
123.08060	4.7
123.11703	28.1
125.09641	1.7
129.07036	1.3
131.08592	7.6
133.10095	7.2
135.08043	3.6
135.11691	5.7
137.09630	2.8
137.13275	6.4
139.11293	1.3
145.06439	1.6
145.10152	8.1
147.08031	1.8
147.11642	4.7
149.09657	7.6
149.13272	4.5
151.11229	3.7
159.11760	1.7
161.13237	2.8
163.11162	9.0
165.12743	2.0
173.09598	1.5
173.13226	4.2
179.10678	2.4
187.14847	2.5
191.10696	2.0
191.14316	5.3
195.13806	1.7
201.16400	4.6
209.11604	1.6
209.15230	2.6
219.17387	6.2
223.16914	1.7
229.15886	3.6
229.19603	1.9
247.16960	9.3
247.20624	3.1
265.18024	18.8
265.21634	41.7
266.08105	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1796
Annotation	Speciosin K
Peak:m/z	Relative Intensity
52.03117	1.5
53.03937	7.6
55.01867	15.6
55.05507	21.5
57.03424	3.6
65.03922	3.2
67.05501	46.8
69.03418	4.1
69.06736	2.1
69.07064	26.2
69.55149	1.6
69.96706	9.1
71.04961	6.6
77.93676	1.6
79.05490	58.1
81.03423	9.7
81.07052	100.0
83.04965	9.6
83.08620	15.4
85.06503	3.0
91.05479	41.2
92.58839	1.6
93.07035	49.3
93.89874	1.8
95.04955	22.1
95.07992	2.5
95.08600	51.5
97.06527	14.1
97.10168	2.3
99.08049	2.3
103.05466	3.3
105.07015	26.0
107.04941	16.0
107.08588	36.7
109.05826	2.0
109.06509	30.9
109.10153	18.5
111.08090	9.2
113.36526	2.0
115.05398	1.9
117.07024	15.1
119.08572	33.1
121.02855	7.5
121.06470	10.3
121.10131	16.2
122.07119	2.8
123.04419	2.8
123.08060	22.0
123.11651	2.0
125.09633	3.8
127.07526	1.8
129.06975	5.5
131.08563	22.3
133.06464	2.9
133.10139	14.2
135.08040	26.2
135.11693	7.1
137.09608	20.3
143.07010	5.7
143.08591	1.9
145.06468	4.1
145.10107	20.0
147.08037	3.9
147.11655	6.6
149.09602	28.9
149.13199	2.9
151.07539	10.5
151.11150	4.7
153.09074	2.4
154.57680	1.7
155.08574	2.1
157.10098	2.3
159.08044	4.2
159.11700	12.2
161.09602	3.6
161.13228	3.5
163.07555	3.5
163.11182	10.3
165.09137	3.9
167.10744	2.5
169.10114	4.5
173.09633	3.2
173.13301	3.6
177.09148	3.0
177.12730	3.0
183.11723	2.4
184.27116	1.9
185.13304	3.4
187.11154	5.3
187.14807	5.7
195.08136	2.0
201.16382	18.6
205.15907	2.7
211.14764	5.7
219.17422	17.8
229.15837	17.6
247.13181	3.1
247.16893	52.4
248.17456	2.6
265.14822	3.5
265.17972	60.7
265.21054	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1798
Annotation	Speciosin K
Peak:m/z	Relative Intensity
53.03948	16.8
55.01869	11.7
55.05509	11.6
57.03431	1.9
57.07084	2.1
59.11555	1.8
67.05510	36.4
69.07069	100.0
69.43355	7.5
69.43782	8.3
69.58494	2.1
71.05000	5.4
78.16046	2.2
79.05496	36.1
81.03415	31.0
81.07055	32.8
83.04967	10.5
83.08618	5.0
85.06535	5.5
90.90470	2.1
91.05479	28.0
93.07047	30.2
95.01325	2.8
95.04954	21.6
95.08601	16.6
97.06521	16.8
99.08089	3.1
99.52930	2.3
101.98892	2.0
105.07035	20.1
107.04958	27.2
107.08601	26.8
109.06497	15.4
109.10149	8.9
111.04424	2.7
111.08080	3.1
117.07033	14.5
119.08588	8.9
121.06472	3.2
121.10139	19.5
122.07153	6.3
123.04462	2.6
123.08036	4.5
123.11697	2.4
129.07036	4.2
131.08557	33.7
131.09537	3.0
133.06479	9.1
133.10143	10.6
135.08072	13.1
135.11734	3.1
137.09590	4.0
143.08565	2.5
145.10045	9.7
147.08060	2.8
147.11708	3.2
149.09618	56.9
151.11192	14.3
159.08043	10.6
159.11688	5.9
161.09615	2.3
163.11226	6.7
165.12654	2.4
173.09619	2.2
177.09015	11.6
187.11172	4.1
191.10677	4.4
201.16451	5.2
219.17416	8.1
229.15944	6.5
247.16910	19.6
265.17935	39.1
265.25452	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1797
Annotation	Speciosin K
Peak:m/z	Relative Intensity
51.07792	1.6
53.03947	3.0
54.56084	1.8
55.01863	7.5
55.05510	16.4
57.03452	2.5
57.07054	4.5
62.36107	1.8
67.05502	42.0
69.06737	3.1
69.07070	42.9
71.04986	5.0
71.31979	2.5
71.32320	2.6
79.05492	34.9
81.03410	7.7
81.07053	51.6
83.04984	14.3
83.08595	6.4
85.06514	5.8
87.02691	1.7
91.05479	36.1
93.07037	37.9
95.04967	16.6
95.08599	29.5
97.06512	9.2
97.10188	3.2
99.04469	2.5
99.08086	3.8
102.09133	1.6
105.07027	34.8
106.20243	1.7
107.04953	15.3
107.08582	29.8
109.06500	14.5
109.10150	13.2
111.08071	3.4
115.05448	4.3
117.07023	12.8
119.08572	24.7
121.06477	11.8
121.10149	20.6
122.07135	5.5
123.08040	9.3
129.07004	8.0
130.07805	3.4
131.04927	2.6
131.08562	25.0
133.06467	2.8
133.10139	23.7
135.08070	9.8
135.11673	10.6
137.09584	4.1
139.07433	1.7
141.06996	2.1
143.08572	5.3
144.05763	2.4
145.06473	5.7
145.10120	39.6
147.08000	6.4
147.11713	8.5
149.09622	26.8
149.13232	2.7
151.11205	15.9
155.08557	6.0
157.06454	2.1
157.10194	3.0
159.08067	4.7
159.11688	11.1
161.09601	4.3
161.13271	6.0
163.11185	33.7
165.06985	4.0
167.07080	2.7
167.34328	1.9
169.10098	3.6
171.11761	2.3
173.05994	4.3
173.09615	9.3
173.13196	5.3
175.11154	2.7
177.09102	2.5
177.12755	3.7
177.16397	5.5
179.10692	10.9
181.06487	3.2
185.13167	2.5
187.11151	7.0
187.14767	5.1
190.06255	3.6
191.10690	9.6
195.08058	1.8
201.12732	1.9
201.16376	20.1
203.14305	3.3
205.08560	6.2
205.10327	2.3
205.12305	2.7
205.15717	2.3
207.13867	2.7
209.09633	2.0
209.11703	5.2
211.14828	6.7
217.38034	2.0
219.17410	32.2
221.15329	2.3
222.06729	3.1
229.15842	18.4
237.09085	4.0
237.18413	3.2
247.16927	56.8
250.06194	2.0
265.08636	9.9
265.12088	8.0
265.14981	4.7
265.17990	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1796
Annotation	12-Oxo-2,3-dinor-10,15-phytodienoic acid
Peak:m/z	Relative Intensity
50.77769	2.0
51.53493	2.5
53.03940	4.1
55.01862	8.6
55.05508	22.6
56.74637	2.8
57.03420	2.6
57.07066	3.3
59.04965	2.5
62.56708	2.6
65.03917	2.8
66.54348	2.6
67.05502	53.0
69.07066	63.6
69.40224	6.5
69.40639	16.8
71.04986	8.1
79.05490	39.6
81.07053	59.1
83.04974	18.6
83.08627	5.6
85.06505	2.7
91.05474	38.2
93.07047	45.6
95.04990	22.5
95.08605	33.9
97.06517	8.8
98.20785	6.0
105.07027	37.3
107.04958	16.5
107.08597	28.1
109.06515	15.2
109.10165	12.9
111.08089	3.8
117.06976	16.8
119.08595	24.9
121.06506	15.3
121.07282	2.6
121.10152	24.5
123.08073	10.1
123.11690	5.6
129.07027	5.5
131.08566	30.9
133.06447	2.7
133.10114	34.7
135.08051	9.1
135.11694	13.8
137.09520	5.4
143.08560	4.7
145.06447	3.4
145.10120	39.5
147.08073	4.0
147.11699	8.8
149.09619	32.9
151.11194	14.5
157.10081	3.2
159.11697	11.3
161.09605	8.6
161.13274	5.1
163.11168	47.6
169.10172	6.4
171.11665	3.1
173.09648	6.9
173.13174	4.0
175.11185	4.1
175.90680	3.0
177.12794	5.4
177.16362	4.9
179.10661	9.0
185.13246	4.3
187.11188	8.4
187.14847	4.0
191.10703	8.5
191.18071	3.3
197.11713	2.7
201.16368	23.0
203.14343	3.5
207.13817	3.5
209.11707	5.9
211.14772	6.6
219.17470	40.0
229.15846	22.0
237.18373	3.6
247.16917	55.5
265.18005	100.0
266.18274	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1432
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
50.54514	3.8
51.39712	3.7
53.03937	9.1
55.05492	18.8
61.24586	4.1
65.03922	12.3
67.05505	42.4
69.03429	34.3
69.07055	11.2
69.92503	15.0
69.92916	9.9
71.04984	7.9
72.08138	6.8
77.03950	4.9
79.05486	27.3
81.03423	8.5
81.07050	21.7
83.04966	10.7
85.02896	6.6
86.09726	4.7
91.05460	49.7
93.07033	40.8
95.04964	48.0
95.08611	26.7
97.06504	11.8
98.20837	7.3
99.04424	8.1
103.05442	10.5
105.07017	70.5
107.04965	8.6
107.08579	21.5
109.02863	13.6
109.06523	35.7
109.10189	6.2
111.04409	32.6
111.08096	7.7
113.06020	10.6
115.05445	10.9
116.06205	7.7
117.07031	23.3
119.04951	8.6
119.08574	100.0
120.08091	90.4
121.02846	19.6
121.06502	39.1
121.10116	18.7
122.07140	7.8
123.04488	6.0
123.08063	31.5
129.06967	17.9
130.07704	7.5
131.08554	43.9
133.06442	14.5
133.10094	19.3
134.09621	6.5
135.08052	87.4
137.09608	16.3
138.09163	5.1
139.03874	11.9
139.07542	12.2
141.06973	11.4
142.07799	10.1
143.08531	14.2
144.05721	10.1
144.09341	8.8
145.06479	24.4
145.10089	33.6
146.07220	7.1
147.08017	30.5
147.11662	14.4
149.06018	5.9
149.09605	10.6
153.06911	5.7
155.08519	4.4
156.09311	5.2
157.06490	6.6
157.10097	13.0
158.07281	25.2
159.08057	49.7
159.11668	47.2
160.08762	4.8
161.05977	7.5
161.09575	38.0
163.07649	7.1
165.09084	30.5
167.07066	5.1
168.09343	9.9
169.10094	4.9
171.11668	9.0
172.08813	22.4
173.05991	6.7
173.09608	20.2
173.13222	22.7
175.07526	73.5
175.11153	34.9
177.02118	6.0
178.64168	4.4
183.11717	12.2
185.09599	6.2
186.10367	6.3
187.07535	10.8
187.11171	48.3
189.09053	13.3
189.12720	14.7
191.06834	6.2
193.08630	22.4
193.10086	4.8
199.11186	16.7
199.50523	4.5
201.12703	43.2
203.10658	48.7
205.08647	11.6
205.12128	8.2
207.10074	6.4
211.11252	15.4
217.08632	4.2
217.12251	27.0
219.10121	5.5
219.13724	6.2
229.12285	23.1
235.13101	6.5
247.09521	7.5
247.13255	51.0
265.06741	4.6
265.14551	48.0
289.57434	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	265.1798
Annotation	Dehydrojuvabione
Peak:m/z	Relative Intensity
53.03951	2.9
55.01866	4.8
55.05512	18.7
57.07093	2.3
66.88020	2.2
67.05505	37.6
69.07069	44.3
70.58051	6.0
73.06527	5.1
79.05494	68.3
81.03422	4.1
81.07060	36.3
83.04968	6.3
83.08604	4.6
85.06538	4.8
91.05463	25.9
93.07043	50.1
95.04956	11.3
95.08606	28.3
97.06552	9.3
97.10172	2.6
105.07023	18.4
107.04961	23.6
107.08588	35.9
109.06522	4.6
109.10177	14.2
111.08066	5.3
115.07600	2.2
117.07012	14.5
119.08557	17.1
121.06478	2.4
121.10127	17.6
122.07144	2.6
123.08116	2.5
123.11682	2.8
125.06027	4.0
129.07019	4.7
131.08556	38.2
133.10127	21.9
135.08049	4.1
135.11661	6.2
139.24364	2.1
143.07036	32.7
143.08179	2.8
143.08603	2.1
145.10130	19.6
147.11649	3.5
149.09618	100.0
151.07562	2.2
151.11224	2.7
155.08556	3.3
157.10130	4.5
159.11705	21.6
161.08122	10.1
163.07652	2.1
163.11212	3.9
165.09114	2.9
169.10092	3.0
173.13290	14.9
183.20166	2.0
185.13234	6.5
187.11133	3.1
191.10577	2.8
201.16376	52.7
211.14790	4.5
219.17522	3.7
229.15868	16.4
247.16875	19.8
265.17966	19.1
265.21713	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	265.1435
Annotation	[3aR-(3aalpha,6alpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-6-hydroxy-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
53.03930	6.1
55.05491	16.9
60.94379	3.6
65.03930	7.2
67.05494	30.2
69.03159	3.3
69.03430	39.4
69.07056	7.4
70.99340	6.6
70.99645	7.1
71.04986	7.3
71.61386	4.2
72.08128	6.4
79.05474	23.0
81.07054	25.5
83.04972	12.1
91.05482	61.6
93.03407	6.9
93.07040	48.8
95.04967	57.5
95.08604	24.4
97.06516	15.0
99.04452	8.7
103.05383	4.9
105.07028	88.4
107.08596	26.9
109.02959	5.7
109.06515	37.3
109.10142	8.6
111.04442	40.1
111.08036	11.6
113.05997	23.6
115.05469	5.3
116.06247	8.9
117.06997	19.8
119.08583	95.9
120.08128	11.2
121.02829	11.6
121.06493	53.7
121.10120	15.9
123.08047	29.5
125.05991	6.8
128.06224	10.1
129.06996	27.7
130.07764	7.6
131.08545	44.0
133.06502	10.7
133.10170	22.2
135.08044	100.0
137.06030	4.4
137.09576	22.4
139.03889	14.8
139.07523	11.7
141.06990	7.7
142.07745	14.5
143.08562	16.1
144.05753	6.2
144.09328	13.3
145.06450	18.8
145.10139	41.1
147.08038	43.7
147.11646	19.9
149.05952	6.4
149.09605	14.3
151.03839	4.9
153.06999	6.0
155.08469	4.6
156.09328	7.1
157.06468	7.6
157.10112	29.1
158.07277	27.7
158.10861	4.8
159.08069	44.3
159.11690	42.4
160.08803	5.6
161.05959	5.6
161.09605	45.7
161.13261	6.9
165.09140	41.8
168.09323	13.1
169.10150	11.6
171.08020	10.4
171.11691	13.3
172.08775	24.0
173.09641	22.4
173.13277	25.9
175.07545	90.5
175.11174	56.1
183.11653	19.2
185.09584	13.9
186.10352	5.5
187.07509	4.9
187.11171	50.1
189.09097	20.7
189.12723	21.8
193.08629	35.3
193.10147	7.6
196.08768	10.5
199.11179	14.7
201.12747	48.6
203.10655	65.3
205.12257	10.1
211.11211	28.1
211.16945	5.3
217.12204	37.9
219.13800	11.7
229.12207	39.3
235.13293	9.5
247.13246	57.4
265.14362	77.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1433
Annotation	5-(4-Hydroxy-2-methyl-2-butenyl)-3-(4-methyl-5-oxo-3-pentenyl)-2(4H)-furanone
Peak:m/z	Relative Intensity
53.03937	2.3
55.01867	1.1
55.05505	6.6
57.03438	1.5
57.07067	2.9
61.37779	0.7
65.03920	1.3
67.05502	17.1
69.03426	57.7
69.07059	10.3
71.04980	1.8
71.24641	1.5
79.05490	12.6
81.03425	6.0
81.07051	100.0
82.07403	1.2
83.05017	1.0
83.08597	1.4
85.02896	3.8
85.06549	2.6
91.05457	5.7
93.07035	11.7
95.04968	3.6
95.08599	23.2
95.82683	0.7
97.02886	93.4
97.06532	2.5
97.10167	1.7
99.08094	2.1
99.77620	0.6
105.07034	6.2
107.04975	1.7
107.08598	5.2
108.87766	0.7
109.06519	3.5
109.10169	3.2
110.36877	0.6
111.08063	2.4
113.02367	0.7
113.09628	5.7
115.03959	0.8
115.05495	1.0
117.07006	2.4
119.08575	3.0
121.06506	4.1
121.10146	6.9
123.08074	2.6
123.11700	55.9
129.07002	0.9
131.08546	3.9
132.91010	0.8
133.06499	1.3
133.10100	3.8
135.08026	1.4
137.05981	1.4
137.09616	1.6
139.11172	4.2
141.06963	0.9
143.08553	1.0
145.06512	1.6
145.10114	2.3
147.08032	2.3
149.05962	2.3
149.09595	2.7
150.10370	1.6
151.03848	1.1
151.07530	1.6
151.11180	2.4
153.05470	1.7
155.36876	0.7
157.10115	1.0
159.08018	1.6
159.11687	1.5
161.09618	1.0
162.84459	0.7
163.07603	0.9
163.11089	0.9
165.09076	1.3
167.10703	1.2
173.05992	1.0
173.13223	1.4
175.11194	1.7
177.05446	1.7
181.10152	0.8
183.11699	1.3
187.07967	0.8
191.14407	1.1
193.12215	0.8
201.12714	2.1
219.13712	2.3
237.09039	1.8
237.14755	1.5
247.13214	3.1
250.06007	0.8
261.55899	0.8
265.08563	3.9
265.11465	1.0
265.14386	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	265.1071
Annotation	Scytalol D
Peak:m/z	Relative Intensity
50.84288	2.8
51.45973	3.7
53.03946	3.6
55.01867	8.7
55.05505	8.3
55.24016	3.4
67.05491	8.8
69.07060	14.5
71.04990	5.3
71.08650	3.7
71.51472	4.2
79.05497	23.9
81.03413	20.8
81.07058	28.4
83.08684	4.8
91.05479	21.6
93.07030	11.2
95.04990	5.5
95.08600	15.1
97.06478	3.7
97.10165	4.1
103.05486	9.3
105.07037	12.3
106.79642	3.2
107.04968	31.3
107.08594	6.0
109.06475	3.9
109.10141	11.5
111.04404	4.4
111.11691	4.4
115.05457	40.5
116.06214	9.6
117.07034	38.4
117.67136	4.0
119.08585	6.5
121.06500	4.1
121.10168	4.6
122.07182	3.8
123.11702	7.3
124.05173	4.4
125.59030	3.2
128.06236	8.1
129.07011	18.3
130.07834	5.5
131.04939	11.7
131.08598	20.1
131.52338	3.2
132.05702	4.4
133.06459	8.3
135.11693	5.6
141.06999	19.6
143.04868	7.2
143.05972	3.4
144.05734	31.9
145.05424	5.8
145.06494	71.9
145.10072	5.5
147.04437	6.8
147.08000	11.5
149.09561	3.6
155.04906	6.7
155.06026	7.6
156.05675	12.2
157.06488	13.6
158.07262	10.9
159.08086	51.0
160.05110	5.1
161.05965	19.1
163.03885	3.5
167.07043	53.2
169.06416	8.0
169.07710	5.0
172.05174	8.8
173.05991	100.0
173.13387	3.7
174.06575	3.6
175.07535	12.8
176.04674	4.3
186.06763	3.8
187.07547	57.3
187.11157	3.6
190.06238	40.0
191.07022	16.0
192.07806	6.5
193.08621	14.1
194.07230	8.2
197.05965	4.6
197.89087	3.1
201.16272	3.7
203.07037	22.4
205.04840	3.6
205.06647	7.5
205.08598	97.5
207.10100	6.0
215.07034	24.6
217.08620	33.6
218.09402	22.6
219.06560	3.8
219.10146	45.0
222.06729	5.8
229.08556	6.5
233.08031	4.2
235.09708	9.2
237.09105	5.4
247.09662	66.6
247.17001	6.3
248.37929	3.3
250.06270	10.5
265.08441	24.0
265.10873	31.2
265.17850	6.4
265.24976	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	265.1068
Annotation	Scytalol D
Peak:m/z	Relative Intensity
53.03939	4.8
55.01860	14.2
55.05515	6.1
57.07066	7.0
67.05495	9.9
69.07063	13.1
70.17648	13.4
70.18063	6.2
71.04984	4.2
79.05482	20.6
81.03426	21.2
81.07066	18.5
83.08623	7.0
91.05466	20.8
93.07035	7.6
95.04935	7.1
95.08598	22.5
95.09114	3.4
97.06535	5.6
97.10200	3.9
103.05466	7.2
105.07029	13.4
107.04942	30.6
107.08556	8.6
108.17973	3.2
109.10146	15.3
111.11729	4.3
115.05453	36.2
116.06207	7.8
117.06989	43.4
119.08549	5.9
122.07127	4.8
123.04425	4.6
123.11698	11.4
124.05235	7.3
125.05952	3.8
128.06184	9.0
129.06976	26.2
131.04958	10.4
131.08563	23.9
133.06491	13.6
133.10170	4.3
135.11720	5.1
141.07010	20.4
143.04962	5.1
144.05707	37.8
145.06477	77.2
145.10086	4.3
147.04430	7.7
147.08051	10.5
149.05939	4.2
149.09566	6.2
155.06070	13.0
156.05669	12.7
157.06485	19.1
158.07254	12.6
159.08081	42.5
160.05241	7.2
161.05917	19.7
167.07031	56.8
169.06444	8.8
172.05183	11.2
173.05972	86.4
174.06500	3.9
175.07545	15.6
178.06274	5.1
186.06757	8.7
187.07532	51.8
190.06255	37.4
191.06984	14.0
192.07796	6.2
193.08629	15.0
194.07288	8.9
202.06256	6.5
203.06975	20.7
204.07788	6.4
205.06636	8.5
205.08574	100.0
207.10225	9.0
215.07031	16.6
217.08554	33.0
218.09340	29.2
219.10144	45.8
222.06802	7.7
229.08527	7.7
233.08002	6.5
235.09467	7.9
237.09084	5.9
247.09631	48.4
247.16988	6.7
249.19508	4.0
250.06125	8.9
262.58945	4.4
265.08444	24.5
265.10837	24.5
265.17947	4.5
265.25064	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	263.2369
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03936	1.8
55.05512	16.9
57.03449	3.2
57.07067	11.3
65.03936	2.1
67.05504	85.0
69.03416	2.3
69.07063	18.3
69.68613	6.3
69.69026	3.7
71.08611	6.5
79.05486	22.4
81.07054	100.0
83.04936	2.5
83.08607	14.3
85.06535	4.3
91.05474	22.6
93.07043	29.9
95.04955	4.8
95.08606	79.0
96.09003	1.8
97.06528	6.7
97.10167	6.6
98.20850	2.4
99.08105	7.9
105.07033	14.2
107.08582	17.7
109.06534	4.0
109.10157	41.8
111.08083	6.7
111.11744	2.0
113.09628	3.1
119.08578	14.4
121.06496	2.4
121.10149	18.9
123.08067	4.6
123.11694	15.5
128.06186	2.2
129.41570	1.7
133.10136	15.8
135.08052	1.9
135.11671	11.7
137.13214	8.9
141.12785	1.7
145.10107	1.9
147.08028	1.7
147.11667	9.1
149.13274	9.6
151.14819	5.9
157.10071	2.5
161.09644	2.3
161.13239	11.2
163.14838	7.4
165.16406	8.1
169.74817	1.5
175.14815	5.8
179.17854	2.5
189.16382	3.4
206.11002	2.1
207.11662	2.3
217.15906	3.0
221.13306	3.2
245.22638	28.9
263.08075	4.2
263.16165	2.1
263.17941	3.0
263.20215	4.9
263.23691	56.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2368
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03941	1.0
55.01863	1.3
55.05509	12.6
57.03449	1.0
57.07076	11.6
62.03944	0.6
62.78989	0.6
65.03942	2.2
65.21191	0.6
67.05503	79.7
69.03417	0.9
69.07068	15.9
70.35439	2.9
71.04991	1.9
71.08623	6.6
79.05491	19.8
81.07053	100.0
81.98824	0.8
83.04969	1.7
83.08611	14.5
83.54437	0.7
85.06545	3.4
85.10181	2.9
91.05472	17.3
91.70993	0.8
93.07043	22.2
95.04967	2.7
95.08605	87.5
97.06529	8.5
97.10165	7.7
97.20181	0.7
98.21133	1.4
99.08084	5.8
101.33881	0.7
105.07026	10.7
107.08584	11.5
109.06512	1.5
109.10152	45.9
111.08077	5.8
111.11724	1.2
113.09653	2.8
117.07076	0.7
119.08573	12.6
121.10139	16.6
121.39064	0.6
123.08074	2.6
123.11708	18.4
127.11194	2.1
131.08595	1.2
133.10124	15.3
135.11667	8.3
137.09584	2.6
137.13229	6.6
139.11163	1.0
141.12733	1.6
147.06725	0.7
147.11674	10.9
149.13261	9.7
151.11165	1.3
151.14798	7.8
155.14317	2.0
156.95120	0.7
161.13275	11.0
163.14816	9.2
165.16386	10.5
167.14368	1.2
175.14838	9.7
177.16418	1.5
179.17940	4.7
181.15817	0.8
189.16351	3.3
203.18022	1.3
205.19522	0.8
214.86229	0.7
217.19510	1.2
219.21178	1.0
245.22641	38.5
246.22943	0.9
254.70724	0.8
263.08203	1.5
263.23691	67.9
264.24118	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2004
Annotation	3-Acetoxy-E-gamma-Bisabolene
Peak:m/z	Relative Intensity
53.03938	4.7
55.01860	3.8
55.05510	24.2
57.03436	6.1
57.07064	2.2
59.04988	2.4
65.03945	2.8
67.05505	31.0
69.03423	3.1
69.07069	20.2
69.39722	9.8
71.04983	4.0
79.05492	85.2
81.07056	43.5
83.04990	7.8
83.08636	7.1
85.02883	1.2
85.06535	5.3
88.07671	1.8
91.05479	39.4
93.07042	100.0
94.26714	1.3
95.04965	13.5
95.08607	34.7
97.02924	1.3
97.06542	7.0
97.10148	4.5
99.08089	3.6
103.05466	1.5
103.92730	1.2
105.07031	32.1
107.04954	4.7
107.08591	75.6
109.06525	12.0
109.10155	15.9
111.04472	1.9
111.08089	2.9
115.05442	1.8
117.06995	6.8
119.08573	30.6
121.06501	5.3
121.10139	77.9
123.04414	1.5
123.08039	5.1
123.11688	2.9
125.05985	3.3
128.06227	3.1
129.06992	7.0
131.08589	9.5
133.06496	3.5
133.10141	19.9
135.08057	12.4
135.11687	33.4
137.09592	4.1
143.08522	10.1
145.06442	1.8
145.10139	10.2
146.07249	1.5
147.08051	15.9
147.11682	10.3
148.08806	1.5
149.09608	6.1
149.13271	11.1
151.11211	2.5
156.09329	1.3
157.10146	6.7
159.08095	2.0
159.11653	6.7
161.09631	15.2
161.13239	5.9
163.07535	2.4
163.11176	4.7
163.14877	1.9
165.09235	1.3
169.10022	1.3
171.11697	5.8
173.13264	5.1
175.11185	4.9
175.14825	2.3
179.10753	2.8
181.12151	1.5
185.13252	6.0
189.09108	5.7
189.12778	2.8
191.14282	3.9
193.12198	1.8
195.13777	2.0
199.14816	5.1
203.10751	1.8
203.14351	6.7
206.11011	1.4
207.10106	4.7
207.11798	1.5
207.13712	1.9
210.42259	1.4
215.21964	3.0
217.15889	4.3
217.19641	2.1
221.15329	1.4
227.14348	3.6
227.17986	3.8
245.15414	7.1
245.19072	8.5
263.16443	87.3
263.20065	89.1
263.23999	6.8
264.16812	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2005
Annotation	3-Acetoxy-E-gamma-Bisabolene
Peak:m/z	Relative Intensity
53.03938	6.1
55.01876	5.8
55.05508	27.8
57.03424	1.4
57.07061	2.8
58.36833	0.9
60.38959	0.9
65.03936	2.3
67.05502	44.5
68.95672	1.1
69.03427	2.4
69.07068	19.8
69.26909	0.9
71.04981	4.4
72.86316	0.9
73.06526	1.1
77.03918	0.9
79.05492	60.3
81.03411	3.2
81.07056	45.6
83.01334	1.6
83.04995	6.3
83.08622	14.8
85.06538	3.3
91.05476	32.7
91.98967	0.9
93.07043	79.4
95.04961	9.7
95.08611	38.9
97.02877	2.5
97.06515	5.0
97.10157	3.2
99.08113	1.7
105.07024	26.0
107.04945	2.2
107.08588	56.9
109.06503	7.0
109.10151	18.5
111.04429	2.6
111.08072	8.4
117.06989	4.3
119.08573	18.7
121.06499	3.2
121.10142	54.1
123.08066	4.6
123.11694	4.5
125.05978	2.0
125.09594	1.8
129.07004	2.7
131.08549	5.6
133.10121	19.2
135.08095	2.3
135.11684	30.7
137.09558	3.8
137.13257	1.6
139.07538	5.0
139.11206	1.6
143.08536	3.8
145.10129	5.0
147.08026	2.9
147.11678	13.1
149.09587	3.2
149.13275	10.1
151.11168	4.1
153.09067	6.2
153.12721	1.1
157.10106	3.3
159.11656	5.0
161.09595	2.3
161.13255	6.9
163.11224	2.5
163.14833	2.3
165.12727	1.3
167.10681	2.1
168.14072	1.0
171.11670	4.5
173.13220	2.0
175.11142	3.0
175.14870	1.4
179.10667	1.9
179.14246	1.2
181.12431	1.0
185.13243	3.1
189.12683	3.1
193.12233	1.8
195.13840	1.3
199.07683	1.0
199.14742	1.8
203.14267	1.4
203.18010	1.4
207.13776	4.2
217.15816	1.5
217.19524	2.7
221.15366	2.6
227.17912	2.9
233.13150	1.0
235.20459	1.8
245.19034	7.8
263.08063	2.8
263.20056	100.0
263.23331	3.7
264.20300	2.1
278.91159	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.164
Annotation	3''-Hydroxy-geranylhydroquinone
Peak:m/z	Relative Intensity
51.02038	2.8
53.03936	5.4
55.01850	10.2
55.05506	22.5
56.05019	9.2
57.03418	5.8
57.07056	7.9
58.06590	3.3
58.07393	2.3
67.05499	22.0
69.03402	3.0
69.06737	3.3
69.07064	41.1
71.04980	4.9
71.51494	4.2
73.06543	6.4
74.06067	9.9
75.41605	2.4
79.05485	66.2
81.03394	7.5
81.07051	59.7
83.04963	9.3
83.08622	3.9
88.07629	30.1
89.07938	10.0
91.05476	73.1
93.07034	36.5
95.04971	14.4
95.08597	17.4
97.06528	11.0
97.10149	4.0
99.08033	3.1
103.05466	3.3
105.03414	5.8
105.07012	23.6
107.04939	15.9
107.08572	22.7
109.06481	9.6
109.10125	6.7
115.05435	5.8
117.06998	24.0
118.08613	3.6
119.08561	85.0
121.06483	8.2
121.10126	8.9
122.08082	5.2
123.08033	6.3
125.05927	3.2
128.06198	8.3
129.07002	28.1
131.08537	20.5
133.06465	3.6
133.10139	10.6
135.08009	9.1
135.11691	8.6
137.05992	4.9
137.09660	3.2
142.07788	4.1
143.07037	18.0
143.08504	24.5
145.06445	3.9
145.10081	12.0
147.08025	78.5
147.11679	3.3
149.05919	4.1
149.09639	4.5
155.08472	6.0
156.09312	3.1
157.10115	38.8
159.08037	6.4
159.11641	3.4
161.05928	3.6
161.08101	7.2
161.09566	5.8
163.07634	2.8
165.09114	4.7
165.12796	4.2
167.07033	2.7
167.08476	3.0
170.10912	3.4
171.11659	11.9
175.07504	5.6
175.11043	4.3
179.08659	2.7
183.11714	3.2
185.09576	5.8
185.13297	3.8
189.12753	3.6
193.08717	3.1
197.13290	2.4
199.14801	58.5
203.06972	3.1
203.10625	5.0
215.21997	44.6
217.15833	6.2
221.11671	5.1
227.14293	9.1
245.15387	46.1
263.06924	6.3
263.16458	47.3
263.19928	6.4
263.24084	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1641
Annotation	3''-Hydroxy-geranylhydroquinone
Peak:m/z	Relative Intensity
52.15077	1.6
53.03932	5.3
55.01857	5.8
55.05516	7.5
56.96563	3.8
57.07057	2.2
57.93624	1.2
65.03945	2.3
66.64443	1.1
67.05503	14.4
68.02184	1.2
69.03426	2.5
69.07066	11.3
69.69370	1.0
71.04988	2.1
71.51640	1.6
79.05024	2.3
79.05491	45.8
81.03413	4.9
81.07056	100.0
83.04972	3.7
83.08604	3.2
85.06552	2.1
91.05478	26.5
93.07037	24.6
95.04962	7.0
95.08614	10.3
97.06525	2.5
105.03346	1.3
105.07039	13.0
107.04934	7.9
107.08607	15.9
109.06514	82.8
109.10146	4.6
115.05449	3.1
117.07021	7.5
118.05933	1.2
119.04978	2.3
119.08580	20.2
121.06514	9.6
121.10121	10.9
123.08054	2.4
125.05947	1.2
128.06258	1.5
129.07016	6.7
131.08592	7.3
133.06512	1.9
133.10143	7.1
135.08076	9.0
135.11684	5.2
137.05934	1.9
137.09584	1.8
143.07040	3.5
143.08539	4.7
145.06491	1.8
145.10103	4.2
147.08046	21.3
147.11693	4.7
149.09586	3.4
149.13278	1.7
151.07466	1.5
155.08632	1.3
157.10126	5.8
159.11674	3.4
161.09613	8.3
161.13280	1.4
163.07555	1.9
163.11151	1.4
171.03276	1.8
175.11165	2.4
179.10739	1.3
183.11708	1.3
185.09735	1.7
199.14865	5.4
203.10687	2.2
203.14331	1.4
212.22881	1.3
217.07413	1.3
217.15872	2.7
221.11682	2.3
227.14355	2.7
245.15343	9.5
263.09546	2.5
263.13922	1.7
263.16415	18.8
263.20059	13.4
281.10568	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	263.1641
Annotation	3''-Hydroxy-geranylhydroquinone
Peak:m/z	Relative Intensity
53.03937	5.0
55.01874	28.2
55.05508	21.9
57.03420	11.9
57.07053	4.0
65.03924	5.3
67.05499	45.0
69.03426	8.6
69.07067	61.8
69.86322	15.2
71.04981	9.1
73.06544	6.8
76.57178	2.5
76.86623	2.5
79.05488	90.8
80.19544	2.7
81.03387	7.4
81.07053	100.0
83.04976	8.7
83.08630	15.7
83.48114	2.9
85.02896	3.6
85.06508	7.0
91.05473	84.1
92.53686	2.6
93.07040	71.5
95.04950	35.1
95.08604	42.9
97.06543	14.3
97.10146	3.6
99.87334	2.9
103.05477	6.2
105.07024	55.6
107.04944	22.5
107.08587	42.6
109.02875	3.8
109.06513	35.2
109.10149	16.6
111.04424	3.7
111.08051	5.6
113.05978	8.1
115.05430	12.7
116.06253	5.6
117.07008	37.9
119.04935	9.0
119.08572	87.2
121.06490	32.9
121.10139	20.7
123.08044	8.3
123.11694	7.2
125.05951	5.3
128.06223	11.0
129.06998	42.6
131.04865	6.9
131.08549	41.0
132.05678	7.2
133.06467	11.5
133.10095	17.5
135.08043	37.2
135.11659	9.1
137.05983	4.4
137.09601	5.2
137.13257	5.6
137.19481	2.6
141.06953	4.5
142.07761	10.1
143.07004	26.1
143.08548	34.9
144.05669	4.2
145.06454	7.9
145.10104	27.1
147.08046	80.4
147.11685	6.0
149.09550	14.0
149.13239	2.9
151.07477	4.7
151.11226	3.0
155.08536	6.6
156.09312	3.3
157.06499	8.6
157.10141	37.7
159.08051	10.1
159.11700	6.5
161.05930	2.8
161.08134	6.6
161.09613	18.7
161.13226	4.2
163.11208	4.2
165.05467	4.1
165.09219	2.9
167.07112	3.2
167.08522	5.4
171.11674	14.7
173.05965	3.3
173.09615	6.3
175.03917	3.1
175.07510	7.8
175.11174	9.6
175.14842	2.7
177.09114	5.0
179.08461	3.8
181.10101	3.2
183.11671	9.0
185.09665	6.4
185.13278	8.3
187.07568	6.4
187.11037	3.6
189.09154	2.9
189.12753	5.3
189.16464	3.0
191.06973	5.4
195.10164	9.3
199.14799	50.1
203.03304	3.8
203.10625	6.4
209.13263	3.9
217.12337	3.0
217.15904	14.9
219.06407	4.2
221.11688	17.9
221.15300	3.9
227.14296	16.9
233.08006	5.6
235.07570	5.4
235.09619	6.5
245.15393	32.2
263.05472	8.7
263.07092	2.6
263.09262	9.6
263.16422	94.9
263.20004	11.6
263.24118	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	263.164
Annotation	3''-Hydroxy-geranylhydroquinone
Peak:m/z	Relative Intensity
53.03943	4.2
55.01870	5.6
55.05507	6.2
56.04994	0.8
57.03416	2.7
57.07058	0.9
65.03918	1.9
67.05501	15.3
69.06751	0.9
69.07072	9.7
69.78075	4.2
71.04966	2.0
73.16064	0.8
74.06062	1.5
79.05492	39.4
81.03394	3.5
81.07053	100.0
82.07401	1.0
83.04977	5.2
83.08604	2.6
85.02901	8.1
88.07616	2.9
89.07936	1.0
91.05476	23.1
93.07042	37.1
95.04966	9.9
95.08609	14.0
97.06516	2.9
98.20790	1.0
99.04427	1.4
105.04479	0.9
105.07034	14.8
107.04946	4.9
107.08586	16.6
109.06515	78.3
109.10157	4.4
111.04434	1.4
111.08081	1.3
114.41451	0.9
115.05444	2.3
117.07015	8.7
119.04880	0.9
119.08576	19.1
121.06507	10.7
121.10143	7.4
123.08057	6.5
123.11615	1.4
125.05956	1.2
125.09585	1.6
128.06186	2.2
129.07007	7.4
131.08542	9.1
133.06471	1.3
133.10110	7.6
135.08063	7.8
135.11685	4.7
137.09624	6.7
143.06976	2.7
143.08601	6.1
145.10152	7.1
147.08032	9.9
147.11661	3.7
149.09633	8.0
149.13258	1.8
153.09070	2.8
155.08539	0.8
157.10138	11.1
159.11694	3.0
161.09607	4.5
161.10799	0.9
161.13222	2.5
163.07533	1.9
165.09099	10.6
171.11729	4.4
173.13271	7.2
175.11140	2.6
175.14787	2.0
181.08597	4.9
185.09602	1.2
185.13312	1.0
187.11154	1.7
189.09187	1.0
189.12701	1.0
189.16325	2.3
199.14806	21.4
201.16310	4.4
203.10574	1.2
215.21962	3.6
217.15880	40.3
217.17989	1.9
221.11722	2.7
227.14270	3.0
245.15352	13.6
263.16394	29.0
263.20007	10.7
263.24063	9.6
268.24603	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1276
Annotation	Trixol
Peak:m/z	Relative Intensity
53.03944	2.5
55.01867	4.8
55.05532	1.6
56.96555	3.2
67.05496	7.3
69.03432	9.8
69.21497	12.7
69.21923	3.6
79.05492	13.3
79.62955	1.5
80.05846	1.6
81.07054	9.2
83.04971	3.5
85.02899	2.9
87.04462	6.3
88.04808	1.7
91.05482	16.3
93.03367	1.7
93.07047	7.9
95.04964	7.0
97.02902	3.5
97.06523	13.9
98.21521	3.6
105.07035	12.4
107.04946	4.2
107.08588	13.0
108.04464	2.9
109.02882	6.0
109.06516	7.1
111.04423	9.2
113.02356	4.0
115.05457	5.2
117.07037	5.5
118.06519	2.2
119.04921	1.8
119.08578	10.1
121.06526	3.7
122.84177	1.4
123.04444	7.3
123.08038	3.4
124.03877	1.9
125.05940	1.7
128.06221	5.0
129.07027	5.6
131.04922	2.0
131.08559	6.4
133.06508	2.7
133.10138	3.6
134.06033	2.4
135.08054	100.0
137.05994	6.1
139.03928	2.6
139.07523	2.4
141.06964	4.3
142.07756	4.9
143.08559	7.3
144.05656	2.3
144.09335	2.5
145.06477	5.5
145.10129	4.4
147.04349	1.8
147.08073	8.2
149.05974	2.2
149.09634	3.2
151.07520	2.6
155.08560	1.9
156.09378	10.7
157.06512	2.1
157.10152	6.6
158.07326	2.0
159.08070	9.0
159.11646	9.2
160.08855	2.7
161.06004	2.2
161.09630	5.3
163.03873	1.8
163.07610	3.0
165.05576	1.6
165.07022	2.4
166.04977	1.7
166.07831	3.0
169.06473	1.7
169.10126	2.2
171.08058	2.8
171.11716	5.8
172.05214	3.6
172.08865	5.4
173.06015	2.9
173.09668	10.7
174.06731	2.1
175.07515	3.4
175.11235	3.3
177.00679	1.7
181.10150	5.4
184.08884	3.9
185.09627	5.2
187.07587	4.2
187.11197	28.7
188.08365	3.5
189.09096	3.5
189.12747	2.5
194.04478	21.8
195.08284	1.9
196.06117	6.8
199.07491	2.6
199.11180	19.4
202.09720	2.3
203.08907	1.5
203.10654	36.3
205.08606	2.1
209.09637	3.4
212.08391	5.0
215.10675	18.1
217.08687	1.6
217.12251	20.6
220.06038	4.0
226.04976	1.7
227.10672	15.8
233.08179	7.9
233.11723	14.6
235.07484	2.5
245.11745	52.1
246.11923	1.8
248.08339	2.2
262.60892	2.2
263.06976	3.3
263.10745	2.6
263.12900	13.6
264.08676	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	263.0614
Annotation	Unknow
Peak:m/z	Relative Intensity
58.55397	0.6
58.99857	1.3
59.45218	0.6
69.03424	0.9
70.01308	1.2
70.01724	1.7
70.99841	1.3
75.18130	0.5
77.00904	4.5
82.99858	1.6
86.99353	0.6
89.00894	2.3
95.01930	1.4
97.02879	0.8
101.00880	16.4
105.00323	0.9
109.02904	1.0
113.00860	1.2
115.02421	2.0
119.01922	36.4
127.02384	1.5
131.01898	6.6
133.03455	2.3
135.01358	1.3
137.02957	6.2
139.02444	2.7
142.03467	1.1
143.01904	15.9
145.03477	8.7
149.02957	0.9
155.01877	2.8
157.03473	17.4
159.01405	2.0
161.02962	54.2
163.04527	1.7
167.01862	0.9
173.02965	6.9
175.04530	5.5
179.04019	1.7
184.04549	2.2
185.02979	7.2
187.04562	1.6
191.04022	4.3
203.04024	17.5
207.40207	0.5
221.02878	0.9
221.05060	17.9
227.59160	0.6
239.06140	16.0
244.06467	0.6
245.04988	1.7
253.16183	0.6
262.07681	0.6
263.06119	100.0
264.06277	1.8
281.07248	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0165
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25857	12.4
57.46141	11.7
65.11127	10.8
71.42597	20.4
76.15995	10.6
80.68562	11.7
80.92472	11.3
82.67011	11.3
92.25388	12.0
101.00887	33.3
112.20590	12.1
119.01920	52.9
131.01903	31.6
143.01918	34.7
152.42685	13.0
155.01862	16.3
157.03343	13.7
161.02963	100.0
173.02975	41.3
185.02951	15.1
192.50484	13.5
203.04102	14.4
231.27042	11.7
263.01709	43.9
263.06085	52.3
280.57877	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	263.0616
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60453	0.8
52.46736	0.7
58.99851	1.4
70.17020	2.6
70.99829	0.9
77.00894	1.5
81.03415	1.5
89.00862	1.7
98.21558	0.9
101.00866	10.4
115.02370	0.9
119.01920	18.9
120.91895	0.8
127.02404	0.8
131.01913	1.7
137.02930	2.3
139.02403	1.7
143.01881	6.8
145.03468	4.5
151.03041	1.0
157.03458	11.8
159.01443	1.2
161.02948	26.4
175.04524	3.5
179.04053	1.2
184.04512	1.0
185.02933	3.7
203.03996	11.1
221.05067	9.3
239.06110	6.2
255.44327	0.9
263.06110	100.0
264.06192	2.3
281.07175	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0613
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.7
55.05521	0.8
55.76310	0.6
56.96566	6.4
58.99874	0.6
61.02926	0.8
64.81478	0.5
69.03442	2.4
70.06589	3.2
70.98126	1.5
70.99853	0.7
71.05000	0.6
73.02904	1.1
77.00909	2.4
78.98356	0.5
79.05505	0.7
81.03414	1.1
82.99420	0.6
82.99877	1.4
85.02905	2.6
89.00908	1.2
97.02890	3.2
98.97567	5.4
101.00874	16.9
103.02403	0.6
107.04939	0.6
109.02905	0.8
113.00832	3.0
115.02429	1.2
116.98618	3.5
117.02180	0.7
119.01917	47.0
120.02028	1.1
121.01660	1.2
124.02492	0.7
127.02424	0.8
127.03924	1.0
129.38226	0.5
131.01909	12.4
133.01636	1.5
133.03468	2.9
134.99681	1.9
135.03230	0.7
135.04417	0.8
137.02946	6.4
139.02419	1.2
142.03503	1.4
143.01889	31.1
145.03473	4.3
146.99631	0.8
149.02930	2.5
153.05774	0.9
155.01851	4.4
157.01727	0.6
157.02185	0.9
157.03458	8.8
161.02951	100.0
162.03085	1.9
163.02655	1.1
163.03885	2.9
167.02086	0.6
169.04456	1.0
170.05063	0.6
173.01419	1.2
173.02963	16.6
173.04602	1.0
175.04539	4.4
177.00781	1.3
179.00644	0.9
179.04062	3.4
184.04538	3.7
185.02931	6.6
187.04552	0.8
188.97054	1.3
189.02370	0.6
190.98621	0.5
191.02321	1.0
191.04004	11.7
191.05684	0.7
197.03036	2.9
202.98744	0.9
203.03996	25.5
204.04120	0.8
215.04016	2.7
219.01730	0.9
220.99660	0.6
221.01678	1.7
221.05048	9.3
223.04796	1.8
227.03986	0.6
233.05029	2.4
239.06180	5.9
240.03517	0.7
244.06842	0.8
245.05090	2.0
251.04242	1.2
263.02954	8.2
263.06070	71.2
264.06320	1.8
281.07086	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2212
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03931	3.3
55.01860	1.9
55.05509	12.5
57.03402	1.6
57.07061	4.7
61.37922	1.0
61.59106	1.3
65.03929	2.2
67.05506	35.2
69.07078	10.6
69.48007	1.0
69.85867	1.1
71.04978	2.7
71.08617	2.2
71.51062	1.4
77.03930	1.2
79.05495	51.2
81.06602	2.1
81.07057	35.9
83.08620	7.7
85.06538	3.0
85.10184	3.1
91.05479	28.2
93.07043	57.0
95.04980	6.6
95.08607	26.9
97.06526	4.1
97.10177	2.1
99.08076	4.0
105.07030	20.7
107.04963	1.8
107.08590	36.8
109.06509	4.0
109.10149	10.8
111.08058	2.1
113.09610	3.4
117.07015	8.7
119.08580	13.2
121.10133	29.3
123.08076	1.8
123.11673	3.2
129.07056	1.5
131.07597	2.3
131.08548	16.9
133.10118	11.8
135.08052	5.3
135.11699	20.3
137.09647	1.3
137.13261	1.3
145.10117	13.0
147.11681	9.5
149.09631	9.0
149.13258	14.6
149.53575	1.2
157.43564	1.3
159.08041	1.6
159.11676	7.3
161.09604	1.7
161.13252	7.0
163.11197	4.5
163.14856	11.2
173.13249	8.0
175.14850	3.1
177.16376	3.2
181.78009	1.2
187.14818	3.6
201.16376	1.7
205.04994	1.4
209.38873	1.5
213.95367	1.2
215.17961	1.4
217.19507	1.8
218.10588	1.1
219.17290	1.1
233.22690	2.7
243.21094	21.5
261.11191	1.9
261.18588	8.5
261.22131	100.0
262.14594	1.6
262.22568	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03975	0.5
53.93052	0.5
55.01883	0.8
55.05502	1.0
56.96562	7.4
57.03429	2.1
58.06598	1.1
59.05002	9.8
60.04534	0.8
60.08163	7.9
61.02931	0.8
62.92994	0.5
67.05515	1.0
69.03432	2.4
70.06586	4.9
71.05000	2.1
71.50733	0.8
73.02925	0.7
79.05497	0.6
81.03432	0.8
81.07092	0.6
83.04981	1.0
84.04498	1.2
84.08146	2.2
84.96021	0.7
85.02905	100.0
87.04463	0.8
87.10063	0.6
88.07640	2.1
89.03945	0.8
91.05482	0.7
95.04993	0.6
97.02883	2.6
98.06068	1.2
98.97576	2.8
101.00895	1.5
102.20365	0.6
103.03951	0.6
107.08636	0.6
109.02929	0.6
110.97614	0.6
116.07093	2.2
116.98611	2.3
117.03382	1.0
119.01931	7.6
128.98582	1.2
130.06554	1.3
130.08646	4.8
131.01921	2.4
131.99678	0.6
132.08163	0.8
134.08092	0.6
134.99661	1.8
135.04449	2.8
137.02956	1.4
141.98914	0.6
143.01920	3.7
143.03452	0.6
144.08130	0.7
144.10229	2.9
144.98119	0.9
145.03696	0.7
145.04951	12.7
146.99734	1.0
147.03197	0.8
147.04378	0.6
150.00839	0.8
156.03311	0.7
157.03455	1.5
158.08156	0.8
161.01483	0.9
161.02965	14.9
162.99205	0.6
163.03897	9.6
164.04234	1.4
171.04965	0.7
173.03009	2.0
174.04453	1.4
175.02756	0.6
175.04625	0.7
176.09261	2.6
177.00746	1.5
179.03986	1.0
184.04568	1.3
184.06093	1.0
185.02917	0.7
185.08153	2.3
186.04411	1.5
191.03978	1.1
202.07173	0.8
203.03989	3.5
204.05461	1.9
204.12315	1.1
219.96550	1.2
221.05095	1.3
223.01282	1.0
233.19020	1.2
239.02296	0.8
239.06017	0.9
245.09102	0.6
251.04195	1.1
257.03363	0.9
262.05978	0.7
262.10751	2.6
262.16531	48.8
263.06113	7.5
263.17108	0.8
273.08307	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2212
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
50.07476	0.5
51.02397	0.6
53.03944	3.0
55.01855	0.9
55.05510	16.2
56.53521	0.6
57.03431	1.4
57.07073	3.8
58.77090	0.5
62.15079	0.6
65.03928	1.2
67.05503	44.7
69.07063	13.1
70.23846	1.9
71.04988	2.0
71.08624	1.3
77.03929	0.7
79.05492	61.2
81.03438	0.7
81.07053	48.7
83.04968	0.9
83.08614	7.6
85.06555	4.1
91.04905	1.3
91.05479	29.0
93.07041	80.2
95.04968	5.9
95.08604	39.2
97.06533	3.7
97.10159	3.1
98.47341	0.6
99.08089	4.7
103.05457	0.8
105.04535	0.9
105.07027	19.3
107.04948	0.9
107.08588	48.8
109.06520	2.0
109.10159	16.6
111.08076	3.8
111.11738	0.7
113.09646	1.4
117.07023	7.0
119.06075	0.8
119.08578	16.9
121.06426	0.7
121.10139	45.2
123.08041	1.1
123.11716	5.2
125.09593	0.8
127.34267	0.6
129.06953	0.9
130.07793	0.9
131.07608	1.1
131.08563	16.1
133.10132	15.0
135.08075	0.7
135.11685	36.4
137.09615	2.2
137.13228	1.3
139.11195	0.9
141.27451	0.5
145.10115	15.8
147.11679	11.7
149.09657	0.7
149.13248	31.0
151.11174	1.2
151.14815	0.9
153.12779	0.8
159.11676	11.3
161.13251	12.3
163.11169	0.9
163.14810	19.5
165.12746	0.8
173.13269	11.8
175.14792	4.9
177.12750	1.3
177.16374	4.7
179.14391	1.6
183.40839	0.5
187.14806	8.4
189.16405	0.7
201.16402	3.1
215.17917	2.2
217.19615	0.6
219.17442	0.8
233.22702	1.0
243.21080	32.8
261.22128	100.0
262.14383	0.6
262.22482	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2212
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.02350	0.7
52.97702	0.6
53.03944	3.5
55.01852	1.0
55.05240	0.7
55.05507	13.5
57.03437	0.9
57.07074	5.1
65.03927	1.4
67.05502	44.1
69.07063	13.1
70.48277	2.5
70.84642	0.6
71.04973	2.1
71.08629	1.6
77.03920	1.2
79.05489	62.6
81.07053	54.9
83.04945	1.0
83.08614	8.1
85.06539	4.4
91.05481	30.3
93.07040	82.2
95.04974	5.8
95.08601	40.5
97.06527	4.3
97.10148	4.1
99.08104	4.4
105.07027	21.3
107.08586	49.6
109.06479	2.3
109.10151	15.2
111.08079	3.8
111.11706	0.9
113.09653	1.7
117.07021	8.1
119.06033	1.0
119.08570	16.2
121.10134	43.9
123.08055	1.4
123.11720	3.5
125.09651	1.5
131.08563	16.7
133.10124	14.9
135.08060	0.8
135.11685	36.5
137.09593	1.5
137.13220	2.1
139.11142	1.3
145.09061	1.2
145.10126	15.4
147.11684	13.3
149.12044	1.6
149.13254	30.1
151.11191	1.4
151.14825	1.0
153.12689	1.6
159.11696	10.7
161.13254	13.3
163.13445	1.2
163.14810	21.4
165.12785	1.6
173.13268	10.8
175.14821	4.8
177.12721	1.2
177.16357	5.5
179.14247	1.6
187.14819	7.5
189.16441	0.8
194.01028	0.7
199.58063	0.7
201.16354	4.1
215.17876	2.0
217.19647	1.1
225.51852	0.8
233.22682	1.4
243.21080	35.7
244.21324	1.0
261.22122	100.0
262.14404	1.1
262.22495	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.0
55.01872	1.1
55.05274	1.0
55.05513	12.6
57.03430	1.5
57.07059	3.6
59.55661	0.9
65.03928	2.0
67.05505	37.8
67.30492	0.8
69.07071	12.8
69.87067	5.8
71.04978	2.7
71.08608	1.3
79.05494	50.4
81.07058	44.8
82.00242	0.9
83.04987	1.1
83.08617	7.3
85.06539	3.3
91.04911	1.3
91.05482	27.7
93.07042	71.7
95.04958	4.8
95.08609	33.0
97.06510	2.1
97.10174	2.9
99.08080	3.1
105.04565	0.9
105.07035	19.3
107.08597	43.6
109.06522	1.7
109.10161	15.2
111.08060	2.7
117.07027	5.0
119.08578	15.9
121.10146	38.9
123.08041	2.1
123.11687	3.9
131.08562	15.3
133.10135	10.5
135.08055	1.4
135.11688	30.7
137.13269	1.1
143.08580	1.3
145.10135	14.5
147.11687	11.3
148.11325	0.9
149.09607	1.9
149.13254	23.1
159.11710	8.2
161.13251	9.6
163.14825	16.0
172.80196	1.0
173.13252	9.9
175.14867	4.4
177.16373	3.9
179.14314	1.5
187.14883	6.0
189.16380	1.3
201.16417	3.9
215.17969	1.5
233.22549	1.6
243.21100	26.8
261.22137	100.0
262.22412	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.6
55.01859	0.7
55.05241	0.8
55.05505	14.6
57.03423	1.5
57.06841	0.5
57.07073	4.7
65.03919	1.9
65.28892	0.6
67.05499	41.9
69.07065	13.7
69.32967	2.5
69.33394	4.0
71.04974	2.8
71.08624	1.6
77.03925	1.3
79.05487	59.8
81.07050	46.1
82.88035	0.7
83.04978	1.0
83.08607	7.0
83.37701	0.8
85.06528	4.1
91.05471	32.2
93.07037	80.7
95.04969	5.0
95.08598	36.9
97.06509	3.0
97.10144	2.9
98.21590	1.2
99.08073	2.3
105.04495	0.8
105.07018	20.6
107.08584	49.9
109.06512	2.7
109.10146	14.4
111.08104	3.3
111.11723	0.7
113.09641	1.0
117.07008	7.6
119.08569	16.9
121.10133	43.3
123.08035	1.7
123.11685	5.3
131.08560	14.2
133.10126	14.0
135.08025	1.6
135.11678	33.1
137.09584	2.6
137.13232	1.7
145.10109	16.3
147.11676	13.3
149.09496	1.2
149.12044	1.5
149.13246	29.0
151.11174	0.7
151.14835	1.4
159.11705	11.6
161.13249	10.0
163.14810	17.8
165.12723	1.2
173.13252	9.8
175.14810	5.5
177.16356	4.6
179.14307	1.7
187.14799	7.0
189.16322	0.8
201.16382	3.9
205.15881	1.3
215.17886	2.1
229.23085	0.8
233.22658	1.4
243.21075	30.8
254.04344	0.7
261.22116	100.0
262.22443	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2212
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03926	1.9
55.01849	0.6
55.05507	12.9
57.03428	1.0
57.07068	3.8
57.07295	0.8
62.33606	0.5
64.28529	0.6
65.03922	2.0
67.05500	35.4
69.07062	10.8
70.76826	1.6
71.04973	2.2
71.08613	1.4
71.13686	0.5
77.03931	0.7
79.05488	50.5
81.07050	41.5
83.04973	1.1
83.08612	6.8
85.06543	2.9
91.05476	26.6
93.07037	70.1
95.04961	4.7
95.08600	32.9
97.06516	2.5
97.10146	2.4
99.08083	3.5
105.04508	0.8
105.07025	18.9
107.08586	46.0
109.06483	2.0
109.10154	14.0
111.08059	2.6
113.09634	1.5
117.07019	5.5
119.08572	15.6
121.10139	38.9
123.08021	1.4
123.11690	4.0
125.09622	1.7
129.06947	0.7
131.08562	13.5
133.10126	14.4
135.08049	1.1
135.11682	31.6
137.09612	1.2
137.13208	1.4
139.11169	0.8
145.10118	15.4
147.11678	10.9
147.58200	0.7
149.09567	1.4
149.13248	25.0
151.11197	0.7
151.14752	1.0
159.10440	1.0
159.11667	9.9
161.13237	11.5
163.14813	17.2
165.12677	1.2
173.13239	9.5
175.14798	4.6
177.12799	0.7
177.16377	4.1
179.14297	1.2
187.14795	6.8
189.16472	0.6
201.16356	2.3
203.78229	0.5
205.15877	1.4
215.17877	1.1
217.19516	0.6
219.17409	0.9
243.21075	30.5
244.21342	0.9
261.22116	100.0
262.22336	1.0
268.44632	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.3
55.01868	1.2
55.05244	0.7
55.05509	13.7
57.07076	5.8
64.12864	0.6
65.03951	1.8
67.05502	49.3
67.56017	0.7
69.03416	0.7
69.07061	15.1
69.41545	2.1
69.41964	3.0
71.04980	2.7
71.08630	4.5
75.69090	0.7
77.03918	1.1
79.05489	74.8
81.03417	1.0
81.07051	58.8
82.95313	0.6
83.04966	2.4
83.08614	7.0
85.06546	3.9
85.10175	2.1
89.91763	0.6
91.05477	38.7
93.07038	100.0
94.07343	0.8
95.04961	6.5
95.08602	42.4
97.06522	4.2
97.10163	3.6
99.08076	5.6
99.11793	0.6
103.05420	0.8
105.04501	1.9
105.07022	23.8
107.08587	57.8
109.06527	3.6
109.10155	14.2
111.08067	2.2
113.09644	1.8
115.05405	0.7
117.07014	10.0
119.06026	0.7
119.08570	19.0
121.06516	0.8
121.10138	45.0
123.08056	2.4
123.11663	4.6
125.09606	1.2
126.74771	0.8
129.06941	0.7
131.08560	19.2
133.10112	15.2
135.08051	2.4
135.11687	34.8
137.09610	2.2
137.13210	2.3
145.10115	18.4
147.11674	11.1
149.09566	2.5
149.13248	25.7
151.11139	0.9
151.14819	0.9
153.12753	1.6
159.11690	13.0
161.13246	12.5
163.11205	1.8
163.14825	18.6
165.12677	1.4
173.13248	11.6
175.14824	4.1
177.12778	1.4
177.16354	5.8
179.14240	1.5
181.26199	0.7
187.14821	8.0
189.16283	1.1
201.16388	3.0
203.17819	1.0
205.15852	0.9
215.17950	2.0
217.19510	1.1
219.17409	1.0
233.18929	0.8
233.22597	2.9
243.21071	32.4
252.50204	0.7
261.22119	93.9
262.22537	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1847
Annotation	2-Polyprenyl-6-methoxyphenol
Peak:m/z	Relative Intensity
53.03929	4.3
55.01861	6.6
55.05502	22.1
57.03418	4.3
57.07059	2.8
67.05500	24.5
67.84948	1.8
69.03427	2.5
69.07058	11.6
70.42874	1.5
71.04984	4.1
71.25730	3.2
78.94563	1.7
79.05485	38.0
81.03400	3.0
81.07052	43.0
83.04958	6.2
83.08604	6.5
85.06580	2.4
91.05476	36.1
93.07034	27.8
94.82059	1.7
95.04978	8.7
95.08608	15.5
97.10170	5.1
99.08056	1.7
103.86497	1.7
105.07024	37.0
107.04937	19.0
107.08584	22.4
109.06495	12.2
109.10133	9.1
109.44846	2.2
111.04383	2.1
111.08028	2.0
117.07001	12.3
119.08569	32.4
121.02885	2.5
121.06490	8.2
121.10124	9.3
123.04491	2.2
123.08060	3.4
125.09577	5.3
129.07011	3.8
131.08543	14.3
133.06453	2.2
133.10110	25.4
134.42444	1.5
135.08047	24.5
135.11668	3.8
136.82388	1.5
137.09599	6.4
141.06963	2.0
143.08527	2.9
145.06467	3.6
145.10110	14.3
147.08040	2.2
147.11636	10.8
149.05933	1.8
149.09605	8.9
149.13277	2.0
151.07494	2.5
151.11157	5.5
154.83275	1.6
155.08516	3.1
157.10089	3.8
159.07997	2.2
159.11688	11.9
161.09612	4.9
161.13251	5.9
163.07532	4.6
163.11171	5.0
163.14821	2.3
169.10106	4.2
173.09651	3.1
173.13216	4.4
173.61694	1.7
175.11147	2.1
177.12793	2.7
179.10648	5.9
183.11722	3.1
187.11128	3.7
187.14705	3.4
196.55670	1.9
201.16350	2.2
205.12234	2.0
215.17946	4.1
225.16316	3.4
233.18983	3.3
243.17453	8.5
261.18478	100.0
261.21945	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	261.1849
Annotation	(-)-Tochuinyl acetate
Peak:m/z	Relative Intensity
53.03934	2.8
55.01868	8.6
55.05509	10.6
57.03440	3.0
57.07066	3.1
65.03942	1.7
67.05503	28.2
69.03432	4.2
69.07059	10.7
69.44688	10.8
69.62164	1.5
71.04993	1.6
71.08610	1.7
72.35000	1.4
79.05487	27.8
79.60460	1.2
81.07053	30.4
83.04981	8.4
83.08603	3.8
85.06577	1.9
85.27138	1.3
91.05481	25.6
93.07046	32.3
95.04948	12.2
95.08611	21.8
97.06522	5.2
105.07036	25.0
107.04940	6.9
107.08592	19.7
109.06512	9.3
109.10140	9.6
111.08086	2.7
115.05444	2.0
116.06254	1.4
117.07030	10.2
119.08572	22.2
121.06512	13.9
121.10144	15.2
123.08072	4.9
129.07016	2.7
131.08578	14.7
132.05612	1.4
133.06500	4.9
133.10126	13.2
135.08052	9.1
135.11685	7.8
137.09592	5.8
138.58238	1.3
143.08580	4.7
145.06480	4.3
145.10114	15.4
147.08054	7.6
147.11658	7.0
149.09607	10.8
149.13240	4.6
157.10194	2.8
159.08044	6.2
159.11697	8.1
161.09599	5.6
161.13232	3.6
163.11201	6.7
169.10069	3.0
171.11641	1.6
173.09630	3.6
173.13293	4.8
179.14325	1.6
183.11723	2.8
187.07558	1.2
187.11179	3.7
187.14873	2.6
189.12802	1.9
191.14331	1.7
199.14915	1.5
201.12733	2.6
201.16432	3.3
202.13135	1.3
203.94365	1.3
207.13774	1.7
215.14395	1.8
215.17963	3.5
219.13817	1.3
225.16351	4.9
233.18904	3.0
243.17467	13.0
243.21078	3.6
249.06863	1.2
261.18503	100.0
261.22095	17.9
262.14465	2.1
262.18814	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	259.2056
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	9.3
58.59347	5.0
67.05486	15.3
69.07067	31.2
69.94348	18.3
71.04981	26.5
79.05493	9.5
81.07039	14.3
85.06535	16.7
91.05459	15.6
93.07043	12.6
95.08575	14.8
97.06514	21.3
105.03369	17.8
105.07015	28.4
107.08588	12.1
109.06516	8.0
109.10205	10.8
111.08051	7.7
117.07022	7.6
117.40833	4.7
119.08572	45.2
121.10133	8.4
123.11681	18.1
129.42654	4.3
131.08557	11.6
133.10118	32.0
137.09628	6.0
143.08498	8.3
145.10095	31.6
147.11684	15.8
157.10094	13.1
159.11737	24.7
161.13249	31.5
171.11690	16.0
173.02296	9.2
173.13213	10.3
175.11197	6.9
175.14821	72.2
177.12801	4.8
181.06502	7.6
185.13266	17.8
189.12798	4.7
189.16418	11.5
190.13329	4.5
201.16385	26.0
203.14316	7.2
215.07024	7.1
215.17918	6.2
241.19484	18.5
259.06647	5.2
259.11234	5.2
259.20541	100.0
259.27441	9.4
268.59256	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	261.0307
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	0.5
57.07090	0.2
62.14286	0.1
67.05521	0.1
71.04198	0.3
82.26231	0.1
82.99889	0.3
93.07046	0.1
95.08598	0.2
98.97599	0.9
101.00873	1.3
111.98637	0.1
116.98611	1.1
118.03571	0.2
119.01927	8.9
119.08579	0.2
119.19492	0.1
120.02077	0.3
134.99747	1.1
137.02965	3.0
138.03258	0.2
140.98798	0.3
142.03471	0.3
143.01912	0.2
153.00920	0.5
158.99901	0.9
161.02982	0.3
165.99638	0.2
175.03044	0.2
177.00960	16.0
178.01064	1.0
179.00655	0.7
180.00851	0.2
182.99973	0.6
193.04115	0.4
195.02005	0.4
200.02563	0.4
200.04611	0.1
201.00859	1.2
201.02536	0.2
203.00754	0.2
205.00313	0.2
209.98364	0.1
217.04071	2.7
218.03719	0.6
219.02014	24.0
220.02145	1.4
221.01776	3.0
222.01904	0.3
225.00832	2.3
226.00996	0.2
237.98828	0.9
238.98250	0.2
242.03526	0.7
243.01990	7.7
244.02238	0.4
256.96744	0.2
261.03061	100.0
261.22101	0.4
262.03186	4.8
263.03537	0.4
266.03564	0.7
275.04660	0.2
279.00558	0.6
284.04663	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	259.2055
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
55.05486	9.5
57.07051	3.1
59.04990	2.4
61.03516	1.9
65.98623	2.0
67.05503	9.8
69.06737	2.9
69.07068	36.8
71.04666	2.1
71.04993	27.3
73.57842	2.0
79.05464	5.3
81.07058	16.0
83.04967	3.2
83.08591	8.3
85.06533	23.6
91.05460	8.8
93.07034	14.7
95.04944	3.0
95.08611	19.3
97.06509	4.4
105.07029	23.1
107.08584	16.6
109.06487	6.2
109.10143	12.9
111.08067	11.8
115.05482	2.3
117.06985	9.2
119.08570	49.7
121.10126	8.5
123.11703	21.5
129.07025	3.8
130.07777	2.5
131.08560	15.0
133.10124	34.7
135.08032	12.5
135.11659	5.6
137.09573	5.9
143.08546	6.8
145.10110	34.9
147.11661	15.8
151.11174	2.1
156.09377	3.2
157.10109	13.8
159.11684	29.0
160.12494	2.7
161.13226	32.2
163.11191	4.4
170.10878	3.8
171.11697	13.2
173.13234	12.1
175.11169	4.4
175.14812	84.5
176.15576	5.6
177.12703	4.6
177.16316	4.2
185.13272	16.9
189.12685	4.6
189.16359	5.2
190.13457	3.0
199.14812	4.4
201.16362	26.1
203.14316	8.6
213.59367	2.3
215.18016	5.9
217.19418	4.9
233.46420	2.1
241.19458	17.1
247.98700	2.1
259.20544	100.0
274.42673	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	259.2055
Annotation	Traseolide
Peak:m/z	Relative Intensity
51.07829	1.5
55.01874	1.9
55.05517	18.2
56.75728	1.5
57.07077	9.0
61.11095	1.8
62.06092	2.5
62.17775	1.6
67.05505	12.7
69.07073	11.4
71.08629	8.9
71.21829	1.5
71.52370	3.2
72.04505	3.0
72.08977	1.7
73.04866	1.9
74.57056	1.5
74.78114	1.5
79.05496	16.5
80.62413	1.6
81.07047	14.0
83.08617	10.5
87.13772	1.5
90.37654	1.7
91.05474	28.1
93.07040	14.2
95.04965	1.8
95.08607	12.3
97.06524	12.6
99.08102	3.2
105.07030	51.4
107.04961	4.2
107.08589	6.9
109.06509	2.6
109.10110	3.2
115.05463	2.9
117.03532	1.7
117.07007	31.3
119.04973	2.9
119.08595	23.6
121.06515	14.3
121.10148	3.9
128.06221	6.0
129.07002	23.4
131.08554	24.0
131.51129	1.7
133.06503	26.3
133.10121	20.2
135.08060	2.5
142.07762	2.8
143.08545	17.9
145.10121	28.7
147.04405	2.8
147.08055	9.9
147.11682	16.3
149.13271	3.6
157.10107	13.8
159.11687	24.2
161.09610	2.5
161.13271	12.8
163.03929	6.1
171.11703	15.1
173.02359	5.7
173.13237	12.3
175.14865	3.1
177.12804	3.7
185.13220	13.2
189.12738	67.4
199.14780	8.3
203.14291	2.9
213.24123	2.1
214.50755	1.5
215.07074	7.6
231.21211	2.0
231.25113	18.4
241.08751	1.9
241.19537	17.2
241.23389	7.8
259.06296	2.6
259.09464	2.3
259.20587	100.0
259.24542	16.5
260.20898	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	259.0964
Annotation	Isorhapontigenin
Peak:m/z	Relative Intensity
53.03918	0.8
54.83717	0.5
55.01866	4.1
55.05505	0.5
57.03395	0.5
58.30961	0.4
67.05514	2.6
69.03398	0.6
69.07067	23.1
69.74094	3.1
77.65961	0.5
78.04665	0.5
79.05486	6.8
81.07025	0.8
83.04967	0.8
89.03915	13.6
95.04951	0.7
97.06529	26.3
98.21457	0.5
105.03372	0.6
106.04244	0.5
107.04951	3.7
114.81645	0.5
117.03378	15.0
133.02841	1.2
134.03641	6.4
135.04411	24.3
145.02847	16.0
145.03865	0.7
146.03476	0.5
147.04446	0.6
157.06523	0.6
159.04387	0.9
161.02339	2.5
162.03091	1.5
163.03894	100.0
164.04295	0.8
167.08560	0.5
173.02319	1.6
186.05508	0.8
191.03413	2.1
199.03990	0.6
207.02858	0.5
213.09239	0.7
215.07042	1.8
217.04988	11.0
241.08549	1.5
259.09659	20.4
264.52365	0.5
281.40662	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0965
Annotation	Isorhapontigenin
Peak:m/z	Relative Intensity
53.00320	0.7
53.03933	1.0
55.01871	4.2
55.69147	0.6
57.42755	0.6
67.05492	2.1
69.03407	1.0
69.07070	24.8
70.79922	1.4
77.03932	0.8
79.05499	8.1
81.07059	1.1
87.71322	0.7
89.03919	14.6
95.04974	1.1
97.06529	31.3
107.04958	4.8
115.25088	0.6
117.03379	17.0
131.04919	0.9
133.02864	2.0
134.03639	5.7
135.04422	26.6
145.02843	19.0
145.03999	0.7
161.02345	2.4
162.03116	1.2
163.03903	100.0
164.04274	1.5
173.02370	1.7
183.65585	0.6
187.03964	0.7
191.03352	3.1
195.08156	0.7
215.07048	2.1
217.04979	12.7
217.07051	1.0
226.25664	0.6
241.08641	0.8
259.07150	0.6
259.09659	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	259.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95490	0.5
53.03946	1.4
55.01873	3.8
55.05504	1.4
57.03436	1.3
60.78494	0.5
65.42042	0.5
67.05511	3.3
69.03416	1.2
69.07071	13.9
71.04991	0.5
71.21713	0.9
71.22044	0.6
77.03930	1.0
79.05495	12.9
81.07076	0.5
84.50459	0.6
89.03924	5.4
91.05486	0.7
95.04953	1.1
97.06530	100.0
103.05495	1.3
105.03387	0.8
107.04982	0.8
115.05419	0.7
117.03389	5.2
125.72839	0.5
131.04912	1.9
133.02821	4.5
135.04425	7.3
141.06943	0.7
145.02829	5.1
146.00290	0.5
147.04431	1.4
157.06453	0.7
159.04401	5.2
159.11830	0.6
161.02342	19.3
163.03903	38.2
167.21672	0.6
173.02347	41.0
174.02626	0.6
175.03931	1.3
177.05473	0.6
185.05969	2.5
186.03149	1.2
187.03867	1.4
187.07545	1.2
189.05542	0.8
197.05986	0.5
199.03748	0.6
215.07028	42.2
216.07530	0.7
241.08626	0.8
259.07022	1.2
259.09650	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.03
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38858	0.5
53.03986	1.5
55.01869	3.0
55.05554	1.4
56.96561	8.0
57.03436	6.7
58.99906	2.7
59.05029	1.3
60.04545	0.8
61.02931	7.3
67.05540	1.2
69.03429	15.9
69.07097	0.6
70.03811	0.9
70.06580	3.0
70.99896	1.6
71.01394	0.9
71.04993	4.2
72.08183	1.5
72.29912	0.5
73.02913	6.8
77.00897	2.9
79.00676	0.8
79.05518	1.2
81.03417	7.0
81.07050	0.6
82.03783	0.6
82.99905	1.7
83.01379	1.2
83.05004	1.9
84.04507	2.6
84.08144	8.6
85.01455	1.0
85.02901	23.7
85.06579	0.9
86.03275	2.1
86.06057	0.8
86.09716	3.3
86.99345	1.5
87.04475	3.2
88.99167	0.6
89.00914	1.3
89.06061	0.6
91.02457	1.5
91.03972	1.1
91.05469	2.7
94.04211	0.9
95.01968	0.9
95.03490	0.9
95.04974	1.1
97.02341	0.9
97.02888	25.7
98.03229	2.9
98.97573	9.5
99.04455	3.0
100.02191	0.8
101.00878	19.1
102.01006	1.0
102.05569	0.8
103.00650	1.3
103.02442	4.6
104.01310	1.1
105.00378	2.0
105.02223	0.7
106.02869	1.5
107.04996	0.9
108.02440	0.8
109.02849	3.7
109.06577	0.6
110.03234	0.7
110.03980	0.9
110.97596	0.7
111.04462	0.5
111.05569	3.5
112.02780	0.8
112.05081	0.8
112.07622	0.6
112.99145	1.9
113.00854	6.9
114.04218	0.6
114.52515	0.6
115.02431	9.6
115.03963	1.1
116.02477	1.0
116.04015	0.7
116.07051	0.9
116.98624	8.1
117.02177	1.1
117.03962	1.6
117.05508	0.6
118.01111	1.5
119.01917	100.0
119.04922	3.7
120.01974	3.7
120.05236	0.6
121.01647	5.9
121.02393	0.8
121.03476	3.2
122.03670	1.7
123.01376	0.8
123.03079	0.7
123.52969	0.8
126.98771	0.6
127.02374	1.6
127.03892	5.1
127.04994	2.2
127.06963	0.8
128.04393	0.7
128.98573	1.6
129.03072	0.6
129.03952	3.3
129.10231	2.5
130.05009	0.9
131.00153	3.9
131.01901	50.2
132.01971	2.5
132.03415	1.8
132.53510	1.4
133.01645	3.4
133.03465	45.8
134.03560	3.1
134.99654	4.3
135.03209	2.9
135.04980	1.7
137.02950	34.3
137.05956	12.6
138.02971	0.7
138.06288	1.5
139.02525	1.8
140.02225	1.0
140.04086	0.6
141.00250	0.5
141.03920	1.9
141.53865	0.6
142.03481	3.9
143.01888	12.5
143.03564	0.6
144.01884	0.7
144.99844	3.5
145.01602	2.4
145.03462	24.2
145.04840	2.1
146.02586	1.3
146.03587	1.6
146.05008	2.0
146.08105	0.6
146.54997	1.8
146.99591	1.5
147.01418	2.7
147.03108	1.7
147.04929	10.3
148.03810	1.5
148.05075	3.0
148.53922	0.6
149.01231	2.4
149.02936	14.5
149.04128	0.8
149.04741	2.0
149.05769	0.7
150.17052	0.5
151.04533	10.2
152.04774	1.5
152.55089	0.8
153.00694	0.7
153.03970	1.1
154.03462	1.8
155.01895	6.0
155.05481	1.0
155.55565	0.7
156.02692	2.5
156.03841	0.5
156.05133	2.2
157.01569	1.2
157.03464	12.8
157.06131	0.8
158.03560	1.1
158.99614	1.2
159.01382	3.6
159.03114	1.2
159.05034	8.5
159.54628	0.5
160.04797	1.7
160.54794	1.0
161.02962	35.2
161.05565	20.7
161.06862	0.8
161.55640	20.4
162.03036	2.0
162.05408	11.6
162.55591	1.8
163.00737	0.8
163.02637	3.0
163.04541	7.9
163.54562	0.6
164.04703	0.9
165.00598	0.6
165.02420	1.0
165.04083	1.1
165.05927	1.8
166.06070	1.0
167.01906	0.9
167.03954	1.1
167.05688	1.0
167.06993	1.1
168.04889	1.3
169.03239	6.3
169.04532	1.4
170.06134	7.5
170.56285	7.2
171.01479	3.4
171.04776	6.2
171.06007	2.5
172.04938	0.9
173.02963	15.8
173.04417	1.1
173.06441	0.9
174.03062	0.7
175.00903	6.9
175.02626	2.3
175.04404	13.3
176.04543	0.8
176.05956	1.4
176.56056	0.7
177.00620	3.9
177.02315	4.0
177.04103	2.6
177.05919	4.4
177.56900	1.0
178.04906	17.2
178.06299	1.6
178.55003	1.4
179.03865	2.2
179.05499	0.9
179.06926	1.5
181.03403	2.3
181.56870	3.6
182.06963	2.9
182.56676	1.9
183.01495	0.6
183.03302	0.7
183.04916	2.5
183.06516	0.8
184.04610	3.0
185.02922	3.5
185.04303	0.6
185.06456	1.2
186.02969	0.8
186.06239	0.6
187.00969	3.2
187.02669	1.1
187.04478	9.1
188.05025	1.1
189.02457	8.1
189.06097	5.4
189.55705	4.0
190.06123	0.6
191.02368	0.6
191.03992	7.0
191.05609	1.2
193.01753	2.9
193.03543	3.0
193.05289	0.7
195.01559	0.9
195.04982	1.3
195.07010	3.1
196.07074	1.4
197.02852	1.4
197.06509	1.1
198.02249	0.7
198.05995	0.7
199.00833	6.7
199.02705	0.9
199.04474	9.0
199.06154	1.2
201.00594	0.8
201.02415	0.6
201.06097	2.5
202.06177	0.7
203.02057	0.9
203.03833	4.4
205.01796	1.9
205.03711	1.3
205.05435	1.1
207.03328	2.1
208.04761	2.1
209.02953	0.8
209.06467	0.6
210.05864	0.7
211.04538	6.5
212.03917	0.6
213.02330	0.9
213.05829	1.1
213.12219	1.2
215.00401	0.9
215.03824	1.5
217.01926	25.0
217.05168	3.8
218.06140	0.9
219.01657	1.8
219.03413	1.0
219.05109	1.1
219.07040	2.7
220.07129	1.2
221.05058	10.9
221.06944	1.0
222.05222	0.7
223.04465	1.9
225.05870	0.9
227.00130	1.3
227.03806	1.0
229.05463	0.6
231.03320	1.1
231.07185	2.4
232.07254	0.7
233.01086	1.9
233.06581	1.0
235.03024	18.4
237.02560	1.0
237.05879	0.6
240.03514	2.6
241.05363	1.0
242.58627	0.5
245.01337	3.6
245.04803	1.6
247.02684	2.0
250.06851	0.9
253.01801	1.1
254.02420	0.7
258.04459	1.3
258.99310	1.8
259.02704	2.6
259.06390	39.0
259.12476	5.8
259.15695	1.1
259.16455	1.3
260.06543	1.3
263.02133	1.8
267.06827	0.6
273.07938	0.6
275.79306	0.5
277.00473	4.3
277.03610	17.2
277.07083	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.279
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56823	0.3
55.01866	0.4
55.05507	0.4
55.79324	0.3
56.53171	0.3
57.07070	11.7
58.06581	1.9
60.86271	0.3
62.06087	7.3
67.05492	0.7
69.07053	1.3
70.20637	1.3
71.08632	6.0
79.05493	0.9
80.51689	0.3
81.07060	0.7
81.96909	0.4
83.22158	0.3
85.10181	2.7
87.53799	0.3
91.05456	1.0
92.65813	0.3
93.07054	0.6
95.08608	0.4
97.06528	3.3
105.06995	1.4
117.07006	0.5
119.08556	0.7
122.47664	0.4
125.29861	0.3
129.07021	0.4
131.08585	0.5
133.10114	0.4
147.11639	0.4
157.64941	0.3
160.51094	0.3
161.02353	0.6
163.03859	1.7
173.02370	0.9
185.13293	0.3
204.36867	0.4
206.32956	0.3
215.06981	1.2
240.26839	5.3
241.19470	0.5
258.04727	0.3
258.19302	1.3
258.27908	100.0
259.09601	0.8
259.20547	1.6
259.28186	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	257.1899
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
55.01868	2.5
55.05506	12.1
55.28926	1.0
57.03419	1.8
60.29175	1.0
66.18402	1.0
67.05499	21.7
69.07047	4.9
70.36166	1.1
71.05008	1.4
77.03902	1.2
79.05493	16.0
81.06596	2.1
81.07050	19.9
83.04960	5.3
83.08609	2.9
91.05472	21.2
93.07046	12.3
93.73150	1.1
93.76313	1.2
95.04958	2.6
95.08598	18.0
97.06517	5.0
97.10109	1.2
98.21621	2.3
105.07031	16.6
107.08580	12.3
109.06535	1.3
109.10156	7.0
111.08058	1.6
115.05450	3.2
117.07011	28.8
119.08569	16.6
121.10136	7.5
123.08067	2.8
128.06200	5.4
129.06995	12.9
130.07808	3.2
131.08568	34.4
133.06459	2.1
133.10132	17.1
135.08113	2.5
135.11694	2.8
137.09627	4.1
141.06998	6.8
142.07776	2.8
143.08548	11.9
145.06458	3.8
145.10118	77.5
147.07994	2.1
147.11632	7.2
149.09631	3.5
151.11151	1.6
154.07765	1.5
155.08578	9.3
157.10112	16.4
159.08015	4.2
159.11685	27.5
161.09627	5.7
161.13284	2.5
163.11159	2.9
168.09406	1.9
169.10114	13.8
171.11693	20.7
173.09624	12.4
173.13246	10.6
175.11195	9.2
175.14801	4.5
177.12715	1.6
183.11696	14.9
185.13181	5.6
187.11140	6.0
187.14743	1.7
189.12723	3.4
196.12489	1.6
197.13261	15.6
199.14738	1.6
201.12711	6.2
201.16394	1.5
209.13271	1.4
210.14096	1.6
211.14801	4.5
213.16391	9.2
215.14334	4.6
215.17929	6.5
229.19557	1.8
239.17941	40.0
257.04370	2.7
257.19000	100.0
258.19391	1.9
258.27957	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	257.1899
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
52.20464	1.3
53.03949	1.8
53.80336	1.3
55.01854	2.2
55.05512	11.5
57.03429	2.0
57.07063	2.6
57.67226	1.2
65.03929	2.2
66.49796	1.6
67.05505	24.9
68.70885	1.3
69.07063	6.4
71.37984	1.2
71.50879	1.5
76.46801	1.5
76.98319	1.4
79.05498	13.8
81.07059	16.5
83.04956	2.5
83.08605	3.0
89.47612	1.2
89.77314	1.3
91.05477	21.1
93.07052	10.0
95.04973	4.2
95.08607	15.6
97.06504	5.1
97.10145	2.0
105.07029	15.2
107.08586	8.3
109.06508	3.0
109.10145	5.5
115.05427	4.8
116.06243	2.8
117.06232	2.6
117.07014	33.2
117.07860	1.7
119.08588	9.9
121.10132	4.9
128.06175	7.4
129.06987	15.1
130.07788	5.3
131.05022	1.3
131.08563	50.7
133.06445	2.7
133.10121	9.9
135.08032	2.3
135.11655	2.8
137.09616	2.2
141.06976	10.7
142.07765	3.0
143.08551	19.6
144.09352	2.8
145.06473	6.0
145.10114	80.3
147.08034	3.8
147.11649	6.7
149.09619	2.4
153.06952	1.7
154.07753	2.5
155.08540	12.0
156.09274	2.0
157.06551	1.4
157.10147	22.2
158.07198	1.8
159.06889	1.6
159.08014	7.7
159.11682	24.4
161.09625	5.0
161.13274	1.7
163.11166	2.9
167.08473	1.4
168.09337	2.6
169.10109	13.6
171.11668	21.6
173.05933	2.2
173.09642	3.8
173.13286	13.2
175.11201	5.1
175.14832	1.5
177.12767	2.0
182.10764	1.5
183.08092	2.2
183.11697	14.4
185.13232	4.3
187.11142	8.6
189.12755	3.4
197.13252	13.3
199.14789	4.2
201.12642	7.8
211.07573	1.3
211.11201	1.7
211.14844	6.0
213.16325	3.4
215.14302	2.9
215.17825	1.8
229.08571	1.7
229.12186	3.1
229.19505	4.3
239.17918	30.1
241.08282	1.3
257.04446	4.7
257.08102	6.0
257.11581	10.2
257.19000	100.0
258.19232	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1898
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
53.03947	1.0
55.01859	2.1
55.05275	0.7
55.05512	10.2
57.03419	1.2
57.07075	0.9
63.83072	0.5
65.03928	1.3
67.05508	13.2
69.03419	0.6
69.07063	6.0
69.07655	0.6
69.69746	0.4
69.94122	1.0
69.94518	1.1
79.05488	11.7
81.03388	0.8
81.07056	12.9
83.04971	2.3
83.08620	2.9
91.05476	20.5
93.06496	0.7
93.07040	11.3
95.04964	3.1
95.08607	9.4
97.06516	2.1
97.10156	1.5
98.21426	0.7
103.05502	1.4
105.07028	18.8
107.04975	5.4
107.08590	8.0
109.06519	4.3
109.10130	3.9
111.08017	0.8
115.05432	2.4
116.06233	0.9
117.07021	13.5
119.04922	0.6
119.07805	0.9
119.08580	10.5
121.06485	2.7
121.10136	5.2
123.08012	1.0
123.11684	0.7
128.06247	2.5
129.07002	9.4
130.07800	2.6
131.04919	1.9
131.08566	34.1
132.05661	0.7
133.06488	12.8
133.10123	8.2
135.08044	2.3
135.11687	2.1
137.09637	1.3
141.06976	3.2
142.07768	1.9
143.08554	10.1
144.05656	2.5
144.09340	0.9
145.06477	12.7
145.10121	26.0
146.07236	2.2
147.08044	10.8
147.08998	0.3
147.11690	5.4
149.09595	2.4
149.13197	1.1
151.11197	0.5
153.07021	0.6
154.07724	0.8
155.05946	0.8
155.08546	6.0
156.09280	0.6
157.10143	9.9
158.07257	2.0
159.08058	9.7
159.11685	12.1
161.09622	14.1
161.13281	2.1
163.11235	2.9
168.09348	1.0
169.10124	5.0
171.11696	7.0
173.08118	0.9
173.09618	18.3
173.13258	3.8
175.11160	9.1
175.14845	1.2
177.12785	0.8
183.11667	5.7
185.09639	0.7
185.13217	2.3
186.10478	0.6
187.11177	10.6
187.14789	1.6
189.12653	3.0
197.13237	5.2
198.45151	0.5
199.14825	2.0
201.12764	6.5
210.13998	0.7
211.14809	1.5
213.16367	2.1
215.14282	3.6
215.18008	1.5
220.95558	0.5
229.15857	0.8
229.19473	5.1
235.85414	0.6
238.40450	0.5
239.17944	11.1
257.19000	100.0
258.19351	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1899
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
53.03945	0.9
55.01859	1.7
55.05513	8.4
57.03423	1.5
57.07067	0.9
57.61079	0.7
65.03972	0.9
67.05505	21.6
69.07065	4.8
69.59973	4.8
71.04983	0.9
79.05492	15.0
81.06599	1.2
81.07058	19.2
83.04984	6.9
83.08621	4.2
85.06523	1.1
91.05479	21.6
93.06484	1.4
93.07047	17.2
95.04980	3.3
95.08611	18.6
97.06530	5.4
97.10164	2.2
98.21455	0.7
105.07034	19.6
107.08600	13.1
109.06509	2.9
109.09612	0.6
109.10176	6.6
111.08071	2.7
115.05446	2.7
116.06200	1.4
117.07015	25.9
119.08579	17.1
119.09246	0.4
121.06506	1.1
121.10143	8.5
122.12048	0.7
123.08062	3.4
125.09644	2.5
128.06223	4.2
129.07001	12.9
130.07780	4.3
131.08569	34.9
133.06490	2.1
133.10133	19.0
135.08052	3.2
135.11687	3.0
137.09628	4.1
141.06970	6.3
142.07768	3.4
143.08560	15.0
144.09343	1.4
145.06465	3.5
145.10121	83.9
146.10443	0.8
147.08038	2.9
147.11674	6.6
149.09589	3.6
151.11229	0.7
153.06990	1.0
154.07799	1.1
155.08588	9.9
156.09348	2.1
157.08820	0.7
157.10126	17.2
159.08063	1.7
159.11694	30.9
161.09639	5.1
161.13220	3.2
163.11160	4.4
165.12802	1.6
167.08557	1.6
168.09332	1.5
169.10130	14.2
171.11682	21.8
173.09616	14.3
173.13234	11.0
175.11217	7.7
175.14792	4.9
177.12701	1.3
181.10158	1.3
182.10852	1.8
183.11694	16.8
184.12395	1.1
185.13292	6.4
187.11186	7.5
187.14781	2.1
189.12791	2.8
191.14380	0.8
195.11732	0.9
197.13248	14.0
199.11090	0.7
199.14723	1.2
201.12813	5.1
201.16418	1.1
209.13348	1.1
210.14005	1.4
211.14832	5.8
213.16399	10.7
215.14435	3.6
215.17976	6.5
229.15868	1.6
229.19531	3.5
239.17949	41.3
257.19006	100.0
258.19238	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1898
Annotation	Montiporyne F
Peak:m/z	Relative Intensity
55.05499	5.0
57.03426	1.2
57.07074	2.6
63.40664	0.9
67.05495	6.6
69.03415	1.2
69.07056	7.7
69.80594	4.2
69.81009	2.4
71.04980	4.0
72.02684	1.0
79.05492	6.4
81.07066	6.2
83.04967	2.1
83.08614	3.2
85.06531	3.8
91.05470	8.2
93.07050	16.0
95.04964	3.7
95.08595	12.1
97.06509	2.6
98.20782	1.3
99.08138	1.0
102.64354	1.0
103.05448	1.4
105.07025	25.4
107.08588	15.1
109.06490	5.9
109.10153	10.8
111.08120	2.3
115.05453	1.4
117.06996	5.8
119.08572	21.7
121.06535	1.0
121.10138	74.1
123.08074	5.4
123.11683	1.6
128.06187	3.2
129.06993	5.1
130.07753	1.6
131.08546	15.6
133.07616	1.8
133.10129	9.2
135.08047	16.1
135.11693	2.3
137.09628	5.8
141.06953	2.4
142.07758	8.5
143.08559	19.6
144.09312	3.5
145.06627	1.2
145.10118	21.8
147.11664	3.7
149.09610	4.5
151.03236	1.4
151.11134	2.5
153.06956	1.6
155.08559	4.6
156.09335	4.2
157.10124	26.9
158.10905	4.3
159.08006	2.6
159.11697	25.7
161.09607	2.4
161.13280	2.5
163.11177	4.9
168.09372	2.5
169.10100	9.9
170.10922	3.0
171.11671	12.2
173.09688	2.1
173.13260	24.6
173.23030	1.1
174.10497	1.1
174.14021	3.5
175.11174	3.3
175.14771	3.8
177.12715	2.3
181.09882	1.1
182.10873	2.3
183.11684	10.6
184.12410	3.0
185.13196	2.3
187.11185	6.7
187.14845	6.0
189.12695	3.6
195.11729	2.1
197.13249	11.1
199.14809	36.0
201.12709	10.8
209.13214	1.7
210.13943	1.9
211.14894	1.8
213.13142	1.2
213.16364	11.6
214.17171	3.1
215.14304	2.4
215.17908	7.6
224.15651	2.4
239.17955	16.3
257.04507	1.2
257.18994	100.0
257.26611	4.3
258.19406	1.3
258.27991	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	257.1897
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
54.18794	1.3
55.01868	1.7
55.05513	13.0
57.03424	2.6
57.07057	3.6
58.22067	1.3
60.05616	1.7
67.05505	26.4
67.69466	1.2
69.07053	4.5
70.06578	4.5
71.06904	1.9
71.08610	2.1
71.51294	1.4
71.51743	2.0
79.05497	7.2
81.07063	12.1
83.08610	3.5
88.07620	6.6
89.07941	1.3
91.05485	15.1
93.07040	7.0
95.08604	11.2
95.84583	1.5
97.06512	2.0
97.10159	1.6
100.14359	1.5
102.09142	3.6
105.07027	15.8
107.08594	3.2
108.53912	1.3
109.10150	7.2
115.05495	1.6
116.06193	1.7
116.73891	1.5
117.07005	16.7
119.08575	6.8
121.10136	2.8
128.06201	5.5
129.06956	9.8
130.07768	4.3
131.08563	38.4
132.32155	1.4
133.06503	2.0
133.10136	7.1
137.06032	1.6
141.06970	3.9
142.07797	3.0
143.08565	26.7
143.15240	1.6
145.10118	100.0
147.11699	5.8
154.07751	1.6
155.08524	6.5
157.10130	11.5
159.08028	2.2
159.11708	13.2
161.09639	3.6
163.11090	1.6
169.10112	7.9
171.11702	21.5
173.09622	2.0
173.13261	6.0
175.11165	1.9
181.57063	1.5
183.11742	10.0
185.13258	5.2
187.11205	2.8
187.14738	2.2
197.13211	10.1
199.14876	2.2
203.03342	1.7
211.14870	3.0
229.19531	3.9
239.17961	16.5
257.04440	7.2
257.08029	2.7
257.19000	65.7
257.26639	35.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1899
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
53.03931	1.4
54.34538	0.9
55.05518	6.9
57.03416	3.1
57.07076	1.4
65.03910	1.2
67.05502	13.2
69.03433	1.2
69.07076	7.0
70.17666	0.9
70.96266	1.4
70.96583	1.7
71.04984	2.6
79.05502	8.1
80.18965	1.1
81.07059	13.2
83.04972	2.3
83.08621	3.0
85.06528	2.7
91.05473	17.1
93.07046	9.2
93.91637	1.2
95.04955	2.4
95.08067	1.4
95.08608	14.4
97.06500	2.0
99.08062	1.4
102.46217	1.1
105.07019	15.4
107.08588	7.3
109.06509	1.8
109.10134	4.2
115.05396	2.5
116.06245	1.2
116.83051	1.2
117.07018	29.9
119.08595	13.0
121.06500	1.2
121.10155	9.4
123.08061	1.8
128.06210	4.1
129.06999	13.5
130.07771	4.0
131.07608	2.4
131.08568	40.6
133.06535	1.3
133.10133	12.5
135.08040	4.3
135.11667	3.0
137.09610	3.3
141.06981	5.1
142.07744	4.6
143.08565	17.3
144.09320	2.1
145.06458	3.4
145.10123	52.0
147.08035	2.9
147.11707	5.6
149.09564	3.4
154.07780	1.4
155.08566	10.0
156.09369	3.2
157.10132	26.2
158.10857	2.2
159.08037	3.7
159.11691	30.7
161.09647	5.8
161.13251	1.5
167.08501	1.7
168.09357	2.4
169.10141	14.3
171.11668	20.3
173.09618	4.5
173.13271	17.1
174.14003	1.9
175.11192	5.6
175.14833	1.5
183.11693	16.2
185.13278	8.5
187.11145	6.7
187.14809	2.9
189.12764	1.3
195.11743	1.4
197.13248	16.3
198.13873	1.3
199.14809	7.7
201.12737	5.3
211.14864	3.3
213.16428	5.4
214.17189	1.2
215.14328	3.5
215.17952	3.3
229.19519	3.6
239.17953	27.5
257.04404	1.8
257.19006	100.0
258.19376	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.8
55.01857	0.8
56.71996	0.6
57.03446	5.4
65.72885	0.6
69.60583	4.3
71.78179	0.6
75.04470	2.3
79.05488	4.1
83.61166	0.6
84.21921	0.7
91.05457	1.7
94.04185	2.1
95.05001	0.8
97.11011	0.8
98.21544	1.2
103.05493	3.5
105.07035	30.6
107.04945	2.7
109.06528	0.6
115.05447	1.6
115.64252	0.7
122.03633	5.3
125.06073	0.7
128.06181	0.7
128.40675	0.8
133.06491	45.4
137.05978	100.0
138.06352	1.0
138.07530	0.6
163.07559	3.7
165.05479	1.7
165.09111	24.7
175.07574	3.4
177.09142	1.1
179.07100	0.7
181.08656	1.9
183.10103	3.8
191.61877	0.7
193.08661	0.9
203.10678	1.5
221.11809	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09067	1.0
51.09909	0.9
55.01867	2.1
57.03433	6.1
58.44415	0.8
58.79605	0.9
67.05483	1.8
69.03386	1.9
69.07026	1.2
70.06575	1.2
71.38922	1.1
71.39267	1.5
75.04466	1.9
79.05475	4.5
81.03381	2.0
81.07036	2.3
83.04954	1.7
84.08085	1.0
84.74253	0.8
85.06538	1.2
85.90913	1.0
86.09708	5.7
91.05462	3.7
93.07062	1.5
94.04190	1.2
95.04948	2.9
96.53862	1.2
103.05432	2.7
105.07024	33.9
107.04939	2.4
109.06528	1.8
115.05441	1.5
117.07046	1.2
119.08573	1.6
121.06483	1.2
122.03609	3.3
124.05241	0.9
131.04936	1.2
133.06487	45.7
135.04439	1.1
135.08072	1.3
137.05969	100.0
141.07008	2.0
147.04369	1.9
152.07063	2.0
157.06383	1.0
162.06750	1.2
163.07536	3.7
165.05475	3.2
165.09108	27.6
169.04848	1.0
169.06387	1.3
175.07483	3.6
175.11110	1.2
177.09085	7.4
179.07060	1.3
183.10181	6.0
188.35051	0.9
197.05833	1.2
201.05396	1.2
203.10530	1.2
221.11717	3.2
227.33559	0.9
234.99103	1.9
257.04321	1.7
257.08041	3.5
257.11716	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1899
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.8
55.05515	7.4
57.03436	1.3
57.07070	1.3
58.92563	1.1
59.01690	1.0
67.05505	15.3
69.07050	4.0
69.86288	3.7
69.86704	2.8
70.16204	1.0
71.04985	3.2
79.05151	1.0
79.05505	11.0
81.07058	9.0
83.04978	1.3
83.08623	1.9
85.06520	3.4
86.97749	1.1
91.05486	12.1
93.07048	13.9
95.04948	3.4
95.08607	11.1
97.06558	1.4
99.08097	1.4
103.05466	2.0
105.07029	26.5
107.08588	15.9
109.06498	4.4
109.10150	9.9
111.08070	2.6
115.05418	2.0
116.06264	1.2
117.07011	16.2
119.08571	21.0
120.05724	1.2
121.06470	1.6
121.10141	81.1
123.08072	5.1
123.11715	2.0
128.06195	4.7
129.07004	11.4
130.07811	2.5
131.08559	30.0
133.06517	1.7
133.07568	1.7
133.10132	9.2
135.08057	14.0
135.11714	2.1
137.09642	5.1
141.06976	4.0
142.07802	5.0
143.08565	21.3
144.09317	1.3
145.06471	1.9
145.10117	44.0
147.07982	1.6
147.11685	3.6
149.09624	3.7
155.08507	6.9
156.09357	2.1
157.10117	21.0
158.10953	1.2
159.08110	2.5
159.11690	19.9
160.59091	1.2
161.09610	2.4
161.13280	2.2
163.11139	3.7
168.09308	2.0
169.10130	12.8
171.11681	15.0
173.09619	1.7
173.13235	16.8
174.32289	1.1
175.11163	2.6
175.14851	1.4
177.12708	2.2
182.10905	1.3
183.11674	15.0
184.12421	1.4
185.13246	3.5
187.11140	3.9
187.14825	2.2
189.12746	1.1
195.11678	1.6
196.12485	1.6
197.13193	11.5
199.14810	29.2
201.12715	4.0
210.13979	1.1
211.14774	2.7
213.16324	9.6
215.14445	1.8
215.17958	6.4
229.19530	1.5
239.17947	20.3
253.35712	1.0
257.19003	100.0
257.26465	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	257.1285
Annotation	Albonoursin
Peak:m/z	Relative Intensity
55.01867	1.5
55.05498	1.2
56.98300	1.0
57.03421	1.3
65.03938	3.5
67.05515	5.6
69.03438	1.6
69.07046	2.0
71.05009	1.1
71.51606	1.7
79.05482	2.9
81.07037	2.2
82.02967	1.4
83.05005	2.0
85.02921	1.1
91.05482	4.9
92.05014	5.6
93.07039	1.9
94.06566	3.1
95.04964	2.4
95.08611	2.5
97.06522	1.6
105.07040	3.1
107.08599	1.0
108.08067	1.2
109.06520	1.1
109.10159	1.6
110.06066	1.2
115.05446	2.0
117.07016	2.0
118.06532	1.0
119.08592	4.7
120.04460	2.2
122.06019	2.5
129.06976	2.1
130.06516	1.6
131.08560	3.0
134.06049	1.0
136.07570	1.9
137.09630	2.9
141.07002	2.7
142.07823	1.4
143.08624	2.0
144.08083	1.6
145.10114	3.9
146.05989	1.5
154.06583	2.6
155.07309	1.5
155.08488	1.5
156.08076	3.0
157.08891	1.6
157.10069	2.2
158.06010	1.7
159.09187	1.4
159.11679	2.7
160.07623	2.6
161.05956	1.8
165.07045	2.0
167.08525	1.1
168.08090	2.9
169.06526	1.6
169.08873	5.3
169.10132	1.6
171.09148	2.4
171.10463	1.9
172.07556	1.9
172.09953	2.4
173.13255	1.8
182.05991	1.8
183.06746	1.5
183.09230	2.4
183.11771	2.3
184.07611	4.2
184.11224	10.6
185.07089	1.4
185.10767	4.5
185.13239	1.1
186.11485	9.6
187.08647	2.6
196.09984	2.7
197.08325	8.4
198.07796	1.2
199.08574	8.5
200.04823	1.2
200.09425	17.4
201.10211	3.0
201.13879	15.3
203.03380	1.6
211.07231	1.3
211.08864	2.3
211.12346	1.2
212.10741	14.8
213.06670	11.5
213.10214	11.1
214.07523	2.2
214.10878	10.0
224.09521	1.9
225.07796	1.2
227.08188	9.6
228.08881	27.3
229.04834	2.4
229.09891	24.3
229.13356	53.0
239.07137	1.4
239.11821	2.4
240.10197	5.7
241.09695	19.2
242.10501	40.2
257.04294	7.1
257.08203	6.8
257.12875	100.0
258.13162	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.5
55.05498	1.2
56.98300	1.0
57.03421	1.3
65.03938	3.5
67.05515	5.6
69.03438	1.6
69.07046	2.0
71.05009	1.1
71.51606	1.7
79.05482	2.9
81.07037	2.2
82.02967	1.4
83.05005	2.0
85.02921	1.1
91.05482	4.9
92.05014	5.6
93.07039	1.9
94.06566	3.1
95.04964	2.4
95.08611	2.5
97.06522	1.6
105.07040	3.1
107.08599	1.0
108.08067	1.2
109.06520	1.1
109.10159	1.6
110.06066	1.2
115.05446	2.0
117.07016	2.0
118.06532	1.0
119.08592	4.7
120.04460	2.2
122.06019	2.5
129.06976	2.1
130.06516	1.6
131.08560	3.0
134.06049	1.0
136.07570	1.9
137.09630	2.9
141.07002	2.7
142.07823	1.4
143.08624	2.0
144.08083	1.6
145.10114	3.9
146.05989	1.5
154.06583	2.6
155.07309	1.5
155.08488	1.5
156.08076	3.0
157.08891	1.6
157.10069	2.2
158.06010	1.7
159.09187	1.4
159.11679	2.7
160.07623	2.6
161.05956	1.8
165.07045	2.0
167.08525	1.1
168.08090	2.9
169.06526	1.6
169.08873	5.3
169.10132	1.6
171.09148	2.4
171.10463	1.9
172.07556	1.9
172.09953	2.4
173.13255	1.8
182.05991	1.8
183.06746	1.5
183.09230	2.4
183.11771	2.3
184.07611	4.2
184.11224	10.6
185.07089	1.4
185.10767	4.5
185.13239	1.1
186.11485	9.6
187.08647	2.6
196.09984	2.7
197.08325	8.4
198.07796	1.2
199.08574	8.5
200.04823	1.2
200.09425	17.4
201.10211	3.0
201.13879	15.3
203.03380	1.6
211.07231	1.3
211.08864	2.3
211.12346	1.2
212.10741	14.8
213.06670	11.5
213.10214	11.1
214.07523	2.2
214.10878	10.0
224.09521	1.9
225.07796	1.2
227.08188	9.6
228.08881	27.3
229.04834	2.4
229.09891	24.3
229.13356	53.0
239.07137	1.4
239.11821	2.4
240.10197	5.7
241.09695	19.2
242.10501	40.2
257.04294	7.1
257.08203	6.8
257.12875	100.0
258.13162	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.8
55.05523	1.5
57.03431	2.0
59.04987	4.0
59.50484	1.2
67.05499	3.2
69.27203	13.7
71.04988	1.7
79.05494	4.0
81.03414	1.9
81.07034	3.1
83.04982	2.2
85.06511	1.9
91.05484	7.5
93.07053	2.9
95.01357	1.5
95.04970	30.2
97.06540	1.6
98.20806	3.1
105.07036	4.6
109.02866	2.2
109.06518	5.4
111.04454	4.5
119.04929	3.6
123.00790	5.9
123.04419	15.8
123.05231	1.6
127.07528	2.6
133.06494	2.8
137.05969	14.3
139.03900	85.2
141.05473	1.6
147.04433	5.3
148.08699	1.9
151.03909	29.4
155.03400	1.8
155.07028	19.1
165.05473	100.0
169.08621	2.3
175.03902	1.9
179.07086	3.3
181.04980	3.6
183.06525	8.0
191.86769	1.4
193.04935	7.6
197.08086	5.0
207.06508	5.1
207.08250	1.7
225.07590	21.6
229.04939	2.5
229.08582	2.2
239.09137	1.8
257.04410	4.5
257.07996	4.9
257.10257	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	256.0302
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.3
53.38042	1.0
54.39311	0.9
55.01865	1.7
56.96552	1.0
57.03447	6.3
57.07069	1.3
58.99854	3.8
61.02904	3.8
69.03427	7.2
69.81072	6.0
71.01324	1.1
71.04972	2.1
73.02919	4.8
77.00909	2.9
81.03400	1.1
82.01424	2.2
85.01398	1.0
85.02901	12.9
87.04483	1.5
97.01376	4.0
97.02864	6.1
99.02954	1.5
99.04418	1.4
100.02480	14.7
101.00871	4.4
101.02364	2.1
103.02444	2.4
105.00302	1.2
109.02906	1.8
111.02936	1.8
113.00869	3.7
115.02431	38.1
115.03767	1.8
115.25423	0.8
116.02573	1.0
117.03998	11.6
118.03506	7.4
119.01914	22.3
120.32346	1.0
121.03496	0.9
123.05555	8.6
124.03960	9.7
124.05909	9.9
127.02377	2.2
127.03896	2.1
129.00345	1.0
129.01808	1.8
131.01907	8.9
133.03468	32.1
134.03461	1.2
134.39069	1.0
135.05037	10.7
137.02898	5.5
138.04065	1.5
140.05547	3.4
142.03513	1.7
143.01878	8.2
144.99780	1.8
145.03461	13.7
145.04619	1.6
145.99904	2.1
147.01398	1.4
149.02887	2.2
149.23967	1.0
153.00322	1.1
155.01930	1.4
156.05058	3.6
157.03452	4.7
158.06619	5.5
159.01410	1.9
160.01476	1.2
160.04713	2.9
161.02953	13.3
161.04359	1.6
161.05608	1.4
163.04509	4.1
168.05029	4.0
169.03464	4.0
169.05292	2.9
170.02997	1.9
171.01392	11.1
171.04988	1.2
173.02962	4.0
175.04544	2.1
177.02408	4.6
179.03923	2.1
183.05048	2.3
184.04536	12.3
185.02960	3.0
186.06055	1.1
187.00830	5.9
187.04521	5.4
189.02428	12.7
189.03944	2.3
194.02956	2.1
196.99167	1.4
200.04150	1.3
202.05597	3.9
203.03976	2.8
205.01973	2.8
206.02055	1.5
207.03494	9.3
210.02469	3.0
212.04033	13.9
215.00316	6.4
229.01913	1.2
230.05055	8.3
233.01427	42.5
234.01526	1.5
238.01907	2.9
244.55341	1.5
247.02928	2.8
251.02492	100.0
256.03027	77.5
256.11905	1.9
256.26324	4.2
257.03116	1.6
263.35748	1.1
274.04071	51.0
279.04575	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	256.9647
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98655	0.4
55.01862	0.6
55.05511	1.3
56.96568	22.6
57.03426	1.3
59.05005	0.6
61.02930	2.3
65.92072	0.4
69.03427	3.2
69.66054	0.8
69.66463	2.0
70.06597	0.7
71.05003	0.7
71.95271	4.1
73.02921	2.4
74.53328	0.4
74.97632	0.5
81.03420	1.7
83.05012	0.5
84.08155	0.7
85.02905	4.5
87.04500	0.6
88.99163	0.5
89.35222	0.4
89.38250	0.4
90.51080	0.4
92.94746	0.5
95.04969	0.5
96.25969	0.4
97.02901	5.1
98.20772	0.5
98.97587	100.0
99.04485	0.4
101.00860	2.5
101.02481	0.5
103.02406	0.6
108.04448	0.7
109.02890	0.8
110.97562	1.1
111.02975	0.5
112.99124	0.5
113.00883	0.7
115.02431	2.4
116.02551	1.1
116.98624	79.6
118.02861	0.6
118.04102	0.4
119.01918	6.8
121.01643	0.5
123.05614	0.9
125.07088	1.3
127.02399	0.4
127.03935	0.8
128.98601	1.3
129.02104	0.5
130.93301	2.5
131.00201	0.7
131.01920	3.1
131.05560	0.8
133.03490	2.7
134.03569	0.6
134.05963	0.9
134.99660	38.9
137.02943	1.0
140.00209	2.5
143.01917	1.8
145.01756	0.6
145.03455	1.8
145.04991	0.7
146.03529	1.2
147.01421	0.6
147.05019	0.6
148.03844	0.7
148.94456	0.6
148.95955	0.4
149.02946	0.7
149.06610	1.1
150.06749	0.4
152.07054	1.3
153.00710	5.9
153.05797	3.1
153.55933	2.1
154.03754	0.4
154.05710	1.9
155.01947	0.6
157.03471	1.3
158.01241	1.6
159.01440	0.5
159.04944	0.6
161.02989	2.9
161.04205	0.5
161.05548	0.6
161.06664	0.9
162.03278	0.6
162.06415	1.6
162.56505	0.9
163.02765	0.9
163.04396	2.1
163.06290	0.8
169.03458	0.5
170.05159	1.3
172.94310	4.1
173.02945	1.6
173.06607	0.7
175.04437	0.6
177.00815	1.2
181.03903	0.5
185.02919	0.6
185.06625	0.7
187.04579	0.7
188.04567	0.7
189.02382	0.6
190.95412	6.7
199.04498	0.6
203.04057	1.0
208.96570	3.0
214.95436	1.6
219.01880	1.4
221.05078	1.1
232.94304	0.7
232.96460	6.7
233.01508	2.8
234.01656	1.2
234.99683	0.6
246.60849	0.5
250.97433	4.6
251.02481	6.6
252.02713	3.1
256.26514	0.5
256.96436	6.3
257.03220	1.9
257.05414	0.8
257.11655	1.0
257.15091	0.4
261.03098	0.9
274.97513	51.6
275.03946	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33794	0.5
55.01867	3.0
56.96562	5.2
57.03440	4.4
57.74719	0.5
59.05002	1.0
61.02929	2.9
67.05441	0.5
69.03431	4.0
69.07050	0.8
69.66673	2.7
69.67095	1.4
70.06573	1.3
71.01350	1.7
71.05003	1.0
72.57918	0.5
73.02925	4.7
78.03465	1.3
79.04277	0.6
80.05006	2.6
81.03440	1.4
83.04982	0.9
84.04501	0.6
84.08146	0.9
84.92245	0.6
85.02903	7.4
85.06519	0.7
86.09702	4.6
87.04434	1.1
96.04501	1.8
97.02900	6.2
97.99250	0.5
98.97573	3.7
98.98484	1.9
100.02497	1.0
101.00871	1.5
106.02920	7.7
109.02902	0.7
110.97545	1.0
113.00864	0.7
115.02431	3.0
115.03927	1.5
116.03994	0.6
116.98629	2.3
117.04001	1.2
118.03534	0.7
118.96944	0.5
119.01933	6.5
120.01981	0.9
121.01623	0.6
123.05556	100.0
124.05929	0.7
127.03919	0.7
128.98573	1.0
131.01913	2.2
131.05577	0.7
133.03473	2.2
133.04984	2.2
134.99690	1.1
135.05077	0.9
136.52637	0.6
137.02939	2.2
141.03902	0.6
144.99805	0.9
145.03484	1.7
145.04877	0.5
146.99617	0.9
147.05063	0.8
152.05023	2.0
153.05795	1.7
155.01981	1.0
157.03455	1.1
159.05058	2.2
161.02945	2.4
161.05522	3.7
161.06683	1.0
163.04503	0.7
171.01312	0.7
173.03008	1.2
175.04539	0.9
177.00995	1.0
183.05113	0.8
184.04533	0.7
185.03026	0.8
186.09773	2.1
187.04390	0.6
189.02411	1.0
203.04076	0.8
204.10823	1.0
206.98209	0.7
207.03493	0.9
210.02260	0.7
214.09334	2.2
219.02032	1.4
232.10312	7.9
233.01509	2.2
234.04973	0.6
234.99774	0.9
243.05377	1.7
243.55467	0.7
244.05247	1.0
249.99495	0.7
251.02518	5.1
255.03654	1.0
255.07306	0.9
255.10399	1.4
256.03088	2.6
274.04083	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.0
55.65764	0.2
56.66691	0.3
56.97527	0.2
57.03440	3.4
59.04989	0.4
61.02926	1.0
69.03431	2.3
69.57109	1.9
71.01345	1.0
73.02921	2.6
78.03442	1.2
80.05029	2.4
85.02912	2.7
87.04487	0.5
96.04505	0.6
97.02882	1.3
98.20762	0.3
99.04382	0.2
101.00868	0.3
103.03971	0.4
106.02916	6.7
106.03638	0.4
115.03938	1.3
123.05556	100.0
124.03988	0.3
124.05887	1.0
131.25128	0.2
131.90189	0.2
133.04965	2.5
145.03465	0.4
150.06372	0.3
155.01891	0.2
183.05122	0.3
185.02982	0.3
196.06903	0.5
218.04153	0.3
255.10684	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0861
Annotation	Sporovexin B
Peak:m/z	Relative Intensity
53.03936	5.6
54.45411	1.2
55.01876	6.8
55.05501	1.8
57.03419	2.2
58.27428	1.3
59.93521	1.4
65.03930	8.1
67.05497	6.9
68.99764	1.2
69.03425	4.0
69.07051	1.2
69.90670	7.8
71.01351	1.5
71.04991	3.2
77.03936	1.9
79.05483	12.4
81.03415	3.7
81.07049	5.0
81.14443	1.5
91.05477	18.6
93.03403	7.7
93.07047	15.4
95.04964	100.0
95.08613	2.9
97.02891	7.1
97.06521	2.6
98.98460	10.6
103.05474	8.6
105.03388	2.6
105.04523	2.6
105.07021	7.9
107.04954	35.8
107.08582	5.7
109.02870	1.7
109.06512	3.7
111.04438	6.4
115.05453	9.2
117.06245	2.2
117.07010	27.2
119.08575	6.3
121.02866	22.5
121.03931	2.5
121.06493	17.7
121.10086	1.7
123.04427	42.7
123.05353	2.2
123.08053	2.3
125.02344	12.9
125.05988	3.1
127.03914	1.4
128.06203	2.8
129.07019	6.5
131.04958	6.8
133.02881	4.0
133.06474	4.1
133.10117	1.3
135.04414	5.2
135.08064	8.7
139.03903	8.7
145.06480	23.3
145.07529	2.3
147.04382	4.3
147.08054	4.7
149.02348	7.2
149.05986	16.8
151.03899	43.8
151.07475	1.9
153.05406	3.9
155.06004	1.9
159.04416	3.2
163.07529	15.4
165.05435	2.2
165.06860	1.5
167.03391	21.3
167.07146	2.6
167.08556	2.9
169.04950	4.3
173.05963	15.1
175.03909	6.7
175.07544	4.8
177.05441	9.2
185.04448	63.2
191.07033	27.7
193.08655	3.1
193.54797	1.4
195.06485	2.3
195.08073	3.8
201.05472	3.8
203.25848	1.2
209.08107	2.0
219.06488	11.2
219.13882	1.5
223.07697	2.2
227.10640	1.7
237.07520	10.7
255.06096	2.3
255.08441	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	1.8
58.97524	0.6
60.08162	71.8
65.03936	4.5
70.89265	1.2
70.89641	1.3
79.05475	0.9
91.05474	6.5
93.03395	12.6
93.07079	0.9
95.04961	0.9
98.98448	2.8
103.05467	1.5
107.04931	1.0
110.03634	1.6
111.04442	16.2
117.05724	0.9
118.06513	1.8
119.04950	4.4
120.08076	1.3
121.06505	2.4
125.05988	29.6
125.69754	0.6
130.06506	3.6
134.03589	0.8
134.05977	0.8
135.04390	0.9
137.12323	0.6
138.05464	0.7
143.00163	1.4
146.05997	1.4
148.07576	0.6
149.05977	65.0
150.05414	0.8
151.07512	1.9
152.03412	2.1
153.05461	78.1
161.01195	1.0
162.02972	0.9
162.09126	1.1
163.03853	1.7
164.07005	1.7
166.05003	1.4
167.05731	3.5
176.07071	3.1
177.05469	4.1
178.08630	2.1
180.10239	0.6
181.87093	0.6
182.08130	17.3
194.08035	0.8
195.06520	56.2
196.06717	0.7
204.06546	8.4
208.09689	0.9
222.07674	4.6
222.11224	5.0
224.05484	1.2
224.09213	0.8
236.09164	15.3
237.09453	0.8
239.07895	1.0
249.02834	2.1
254.10216	100.0
254.13829	42.8
255.10501	1.7
255.14151	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.1022
Annotation	1-Acetyl-N-salicyloyl-2-aminopropan-3-ol
Peak:m/z	Relative Intensity
55.79319	0.3
57.03067	0.2
63.33739	0.3
71.24271	0.5
71.24622	0.6
91.05459	0.9
98.98410	0.5
103.05452	1.3
106.06535	1.4
107.04937	0.5
117.05767	2.9
118.06550	1.0
119.04969	0.6
120.08081	1.7
121.26432	0.4
130.06528	11.3
131.07309	1.2
132.08032	0.8
141.18025	0.3
146.05975	0.5
148.07559	1.4
150.05388	0.5
152.06984	0.6
166.08615	0.9
176.07082	11.6
178.04929	0.4
178.08626	0.7
180.06523	0.8
181.07242	0.5
184.23303	0.3
191.09419	2.0
194.08090	1.7
204.06558	23.4
209.10509	0.5
210.07629	0.4
220.06093	0.5
222.07620	9.4
222.11079	0.5
224.05522	2.5
236.09175	37.8
237.09520	0.9
238.07111	2.0
239.07893	1.6
254.10236	100.0
255.10649	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.1022
Annotation	1-Acetyl-N-salicyloyl-2-aminopropan-3-ol
Peak:m/z	Relative Intensity
53.03948	2.4
55.01864	2.1
55.70524	1.9
56.05031	5.2
58.06580	3.0
65.03918	2.5
67.05502	4.0
68.05025	5.1
69.03429	5.4
70.06606	2.4
71.51398	3.2
72.04532	2.6
78.63100	2.2
79.05490	13.8
79.71584	2.4
80.05020	4.2
81.03401	6.7
81.07059	5.4
82.06579	3.2
83.04960	2.9
84.04504	21.7
91.05507	15.1
93.07053	10.0
94.02946	3.0
94.06552	10.3
95.04974	10.4
96.04498	3.7
96.08141	2.8
97.02908	3.4
97.06509	3.5
98.98454	12.2
103.05456	8.0
105.03389	2.7
105.07030	6.2
106.06539	3.5
107.04946	17.4
108.08101	3.8
109.06534	5.4
112.03972	17.6
112.07590	4.4
114.05524	3.0
117.06982	3.9
118.06577	5.4
119.04942	9.6
120.08099	8.1
121.02845	3.2
121.06500	9.8
122.06004	14.2
122.18855	2.4
123.04443	10.6
124.03954	4.3
124.07564	5.4
125.02363	9.5
125.05926	3.1
129.12592	2.3
130.04999	7.8
131.04912	9.5
133.06470	2.5
134.09639	3.9
135.04399	2.3
136.07530	4.3
136.11209	3.6
137.05983	3.9
138.05469	4.4
140.07068	3.1
144.08046	4.7
145.06435	2.7
146.05995	4.1
146.09641	4.5
147.04408	9.0
148.07545	14.7
149.02325	3.7
149.05977	4.4
150.05486	4.8
150.09163	2.5
151.03929	4.8
152.07094	5.6
159.04425	5.1
162.09171	9.3
164.07074	3.0
164.10733	5.0
165.05484	5.0
166.05078	2.8
166.08643	8.5
167.03423	3.3
168.10242	2.9
172.07568	3.1
174.09163	3.3
175.03937	6.2
176.07089	8.1
177.05504	15.1
177.73296	2.3
180.10316	3.9
182.08011	2.2
184.32788	2.2
189.51411	2.7
190.08687	3.4
192.06554	7.4
192.10201	8.5
193.04898	2.6
193.08589	2.3
194.08092	4.0
208.09714	9.2
210.07620	9.3
210.11241	41.2
210.91882	2.3
211.05728	2.2
211.40762	2.2
212.09229	6.9
218.08078	7.5
226.10756	5.0
227.25143	2.4
234.38686	2.3
236.09166	28.1
254.10254	100.0
267.31079	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	254.0843
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92984	0.3
53.03936	0.3
54.56660	0.3
56.05030	0.7
61.01146	9.2
67.05499	1.0
69.03429	2.9
71.04983	0.7
74.59072	0.3
78.03805	0.3
79.05486	1.2
80.05003	0.5
81.03408	0.6
81.07050	0.7
87.02686	1.0
88.02210	98.5
89.02547	0.3
91.05454	0.7
93.07027	0.5
95.04959	1.8
95.08602	0.5
96.04480	4.3
96.08111	0.3
97.02885	17.8
98.20736	0.6
102.03778	0.6
103.05471	0.6
104.93370	0.3
104.94845	0.3
105.03353	0.3
105.07057	0.7
106.06531	2.2
107.04950	1.0
108.04511	0.6
109.06639	0.3
114.03763	0.5
118.14059	0.3
121.06504	1.0
122.02424	0.6
122.05991	0.4
123.04455	1.6
123.08013	0.4
124.03945	49.5
124.07581	1.0
125.04743	0.3
126.05511	7.4
130.06499	0.4
133.06464	0.6
134.05946	0.4
135.04439	0.3
140.03413	1.6
140.05246	0.5
148.07556	2.6
149.05916	0.4
150.09129	0.4
151.03915	2.5
151.07518	0.3
152.07019	1.4
153.05421	0.5
154.03235	0.5
156.04749	1.0
158.05954	0.6
166.06870	2.3
168.04825	0.3
176.07088	3.0
184.04265	100.0
185.04637	1.5
186.05840	8.4
194.08093	1.9
206.69812	0.3
208.07895	0.5
210.09419	0.7
220.09654	1.3
226.08899	1.0
236.07375	1.7
254.08440	41.1
255.08733	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.216
Annotation	Hydnocarpic acid
Peak:m/z	Relative Intensity
53.03937	3.6
55.01864	2.3
55.05509	69.0
57.03430	2.8
57.07071	14.6
67.05502	61.4
69.03439	3.2
69.07065	100.0
70.15079	5.3
71.04983	9.0
71.08619	4.7
79.05496	29.1
81.03405	1.6
81.07053	92.6
83.04976	4.9
83.08616	66.3
84.50929	1.8
85.06536	7.4
85.10145	2.4
91.05477	28.4
93.07037	39.1
95.04947	2.4
95.08601	84.4
97.06527	14.9
97.10159	50.6
98.98461	86.0
99.08112	8.1
101.06042	2.2
105.07029	23.4
107.08588	24.5
109.06522	3.5
109.10149	37.8
111.08077	13.5
111.11705	18.0
113.09647	4.2
115.07580	2.1
116.99520	2.6
119.08575	22.4
121.10139	41.6
123.08069	6.1
123.11704	19.1
125.09613	10.3
125.13277	4.7
127.07550	2.9
133.10120	29.9
135.11690	35.2
137.09612	8.8
137.13229	10.7
139.11163	8.9
141.09109	2.2
147.11674	19.0
149.13269	8.7
151.11176	8.3
151.14825	6.0
153.12759	4.8
161.13228	19.2
163.52190	1.7
165.07074	2.4
165.12721	7.8
173.02296	2.5
175.14934	7.3
176.98935	2.1
177.16379	2.4
179.14340	7.1
189.16565	1.7
191.17899	3.8
193.15927	2.1
193.19487	6.4
197.11714	2.6
203.29688	1.5
217.19510	40.6
235.07333	2.5
235.20529	21.4
253.08577	15.8
253.12253	2.0
253.15823	2.5
253.21606	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1797
Annotation	8,10-Dihydroxy-2,6,10-trimethyl-2,6,11-dodecatrien-4-one
Peak:m/z	Relative Intensity
55.01839	1.1
55.05496	3.3
57.03426	2.0
57.07066	2.1
67.05500	11.1
67.39102	0.6
69.03426	54.3
69.07068	3.4
70.90316	1.8
71.04981	1.2
79.05489	6.0
81.07059	11.9
83.04967	1.4
83.08599	3.0
85.06518	1.1
91.05482	6.5
93.07042	6.0
95.04956	2.0
95.08605	9.4
97.06534	3.6
97.10180	0.8
98.98463	100.0
100.98882	1.6
105.07030	5.5
107.08586	3.5
109.06519	2.9
109.10165	4.8
111.08035	1.3
116.99459	3.2
119.08563	4.9
121.06508	1.3
121.10139	2.6
123.08053	3.1
123.11681	1.6
125.09535	0.9
131.08517	1.1
133.10124	11.6
135.11644	1.1
137.09645	2.0
140.01096	1.9
141.05476	0.9
143.08537	1.1
147.11665	1.8
149.09633	2.0
149.13281	1.9
151.11200	3.7
157.10101	1.0
157.61559	0.6
161.13235	1.1
173.13275	1.0
174.99243	2.0
176.98972	1.5
189.16377	1.4
197.11766	1.1
199.14836	1.4
207.17487	0.8
217.15874	1.9
225.14856	0.8
235.16898	13.1
253.08588	0.9
253.14253	1.8
253.18092	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	253.1798
Annotation	8,10-Dihydroxy-2,6,10-trimethyl-2,6,11-dodecatrien-4-one
Peak:m/z	Relative Intensity
55.05516	3.2
57.03431	1.6
57.07065	2.1
57.31352	0.6
67.05507	8.5
69.03431	54.5
69.07065	4.7
70.97611	1.6
71.05000	1.6
71.08634	0.6
79.05491	4.9
81.07058	12.2
83.04974	1.1
83.08618	1.6
85.06532	1.0
91.05479	6.3
92.22779	0.7
93.07035	4.5
95.04958	1.8
95.08611	8.0
97.06530	4.0
97.10169	0.8
98.98470	100.0
99.08092	1.0
100.98903	1.8
102.41496	0.6
105.07024	5.5
105.94648	0.7
107.08590	4.4
109.06529	2.2
109.10150	4.4
111.08082	1.2
112.65553	0.6
116.99472	4.9
119.08572	3.1
121.06534	0.9
121.10152	2.3
123.08109	3.3
123.11737	0.9
125.09588	0.7
131.08551	0.9
133.10139	9.8
135.08069	0.8
135.11700	1.5
137.09621	1.9
140.01149	1.5
141.05415	1.1
145.10272	0.7
147.11700	2.2
149.09557	1.6
149.13275	1.3
151.11183	3.3
157.10078	1.4
161.13283	0.7
170.08775	0.8
174.99257	2.3
176.98955	1.9
189.16402	1.3
197.11693	1.6
199.14893	1.4
217.15952	2.0
225.14888	0.9
235.16934	11.9
253.08812	1.1
253.14381	2.0
253.18089	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	252.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06223	0.3
55.05500	0.7
63.27131	0.3
67.05510	0.4
69.07066	0.5
70.06577	0.3
71.51141	0.6
77.00645	0.5
79.05481	1.4
81.07046	2.6
84.04465	0.3
84.08141	0.5
86.09702	1.3
91.05479	0.6
94.04038	1.5
95.04960	0.5
98.98457	12.3
99.44791	0.3
103.05481	0.5
104.03454	0.4
105.07043	0.7
106.06551	0.5
107.04941	1.3
108.04539	0.4
109.02894	0.4
116.99490	0.4
118.06512	0.5
119.03524	2.1
120.08076	2.3
125.02341	0.4
130.06522	0.5
133.06459	0.3
136.06174	100.0
137.04622	1.7
137.06560	0.4
138.05496	1.1
138.09164	0.3
146.05949	0.7
148.07591	1.1
161.05992	0.4
176.07016	2.0
192.06564	0.6
193.08714	0.5
196.09764	0.3
206.08206	1.6
231.16618	0.3
234.13484	17.1
252.12352	3.3
252.14534	56.5
253.08603	0.4
253.14919	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.2004
Annotation	roughanic acid
Peak:m/z	Relative Intensity
51.43277	1.3
53.03935	1.8
55.01862	3.0
55.05507	18.2
57.03434	2.1
57.07074	3.4
59.04992	1.7
59.06648	1.5
65.03934	1.7
65.31653	1.3
67.05501	93.3
69.03422	3.7
69.07063	19.7
70.17276	6.0
71.04990	10.4
73.82427	1.6
77.03886	1.4
79.05491	42.9
81.07052	100.0
83.04967	4.2
83.08614	11.4
85.06531	7.6
91.05472	24.4
93.07039	61.2
93.07639	2.5
95.04957	5.2
95.08601	82.9
97.06528	15.3
97.10155	8.3
98.98460	91.7
99.08054	1.5
105.07024	18.9
107.04959	2.7
107.08589	36.1
109.06503	4.1
109.10149	47.9
111.08071	5.6
111.11704	1.6
115.05443	4.2
116.99529	3.0
117.06989	8.9
119.08586	16.5
121.06487	4.9
121.10136	36.7
123.08039	6.5
123.11697	16.8
129.07005	1.6
131.04924	6.8
131.08549	16.9
133.06435	2.1
133.10106	19.1
135.08040	11.4
135.11673	25.7
137.05965	2.3
137.09564	7.9
137.13268	4.7
139.07533	2.7
143.04977	2.2
145.06502	2.6
145.10088	10.9
147.11632	7.0
149.09621	10.9
149.13254	13.1
151.03912	14.7
151.11165	5.7
152.74326	1.4
153.09097	4.9
157.06360	1.4
159.04398	2.6
159.11679	10.7
160.05196	1.7
161.05948	1.8
161.13226	1.9
163.11172	7.9
167.10655	2.3
173.05945	2.3
173.09581	1.6
173.13268	6.2
174.99228	2.7
175.07648	2.4
176.04651	3.8
177.12781	3.7
181.05031	2.3
181.12256	3.8
187.14742	2.3
188.04662	1.5
189.05484	2.7
189.16356	2.9
191.07005	18.8
191.08615	2.1
191.14320	3.0
191.17957	18.4
195.13849	3.3
203.06996	14.1
209.15408	1.7
215.17929	24.2
219.08197	2.1
221.08058	6.8
223.07654	2.1
233.08089	2.9
233.15388	2.2
233.19002	24.8
236.08258	2.1
251.06897	4.4
251.09193	7.7
251.11140	3.5
251.16234	3.1
251.20059	49.1
252.12238	2.2
264.13739	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.2005
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	3.0
56.96570	0.9
57.03431	0.5
57.07060	1.1
59.04979	0.7
65.03919	1.3
67.05502	28.8
69.07065	3.4
69.80507	0.6
69.80921	1.9
70.24786	0.4
71.04993	1.4
71.08635	0.6
75.70025	0.4
76.65719	0.4
77.01573	0.5
79.05488	6.5
81.07053	25.7
83.04967	0.7
83.08610	1.6
85.06525	1.9
91.05476	2.8
93.07037	8.5
95.04957	0.8
95.08604	16.4
97.06516	1.1
97.10155	0.6
98.98462	100.0
99.08084	0.9
105.07024	2.3
107.04985	0.5
107.08578	4.3
108.11580	0.4
109.10160	6.0
111.08053	0.6
116.99509	4.0
117.07012	1.1
119.08563	2.1
121.06526	0.7
121.10147	7.0
123.11711	4.3
131.08607	2.0
133.10136	1.8
135.08031	1.0
135.11707	5.4
137.09595	0.7
137.13237	2.1
138.09081	0.4
140.01105	1.4
145.10126	2.2
147.11688	0.6
149.09618	1.7
149.13231	2.3
151.11185	0.7
151.14839	0.6
153.09087	0.6
159.11679	1.9
163.11227	2.8
163.97617	0.5
165.06999	0.4
167.08669	0.4
167.10641	0.8
173.13306	0.8
174.99236	3.1
177.12714	0.9
181.12282	2.0
191.17891	1.2
195.13823	1.0
205.19521	0.7
205.98721	0.6
215.17993	1.6
218.90428	0.5
229.07391	0.8
233.15407	0.9
233.19032	1.8
251.04903	0.6
251.16409	1.5
251.20131	5.6
269.10498	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.2003
Annotation	Methyl farnesoate
Peak:m/z	Relative Intensity
53.03926	1.3
55.05513	6.3
57.07062	1.8
62.33646	0.5
65.03939	1.1
67.05502	40.2
69.03413	0.6
69.07065	5.9
69.25245	4.0
69.25662	1.9
71.04991	1.2
77.01617	0.6
79.05488	12.0
81.07053	40.4
82.93749	0.5
83.04980	1.3
83.08613	7.0
85.06537	0.6
86.77567	0.5
86.82389	0.6
91.05484	6.7
93.07040	12.8
95.04983	1.5
95.08604	36.7
97.06520	4.4
97.10147	2.5
98.98461	100.0
99.08075	1.3
105.07038	3.7
107.08588	8.8
109.06484	1.0
109.10152	16.9
111.08076	2.3
116.99493	4.2
117.07021	0.9
119.08572	4.4
121.06475	0.7
121.09334	1.1
121.10142	11.5
123.08066	1.3
123.11707	5.6
125.05991	1.0
125.09627	1.1
131.08551	1.5
133.10132	7.4
135.08022	0.7
135.11681	7.1
137.09602	2.1
137.13263	1.3
139.11162	0.6
140.01077	1.8
145.10086	2.1
147.11702	2.1
149.13249	2.0
151.11179	2.6
153.09093	0.6
154.35307	0.6
159.11713	1.9
163.11121	1.4
167.10774	0.7
173.13242	1.0
174.99191	2.8
177.12762	0.8
181.12346	0.6
188.25232	0.6
195.11630	0.7
195.13843	1.2
205.98817	0.9
215.17944	5.9
233.19009	3.4
251.14342	0.8
251.16228	1.0
251.17668	0.9
251.20074	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.2004
Annotation	roughanic acid
Peak:m/z	Relative Intensity
53.03927	0.6
55.05508	7.3
57.03429	1.1
57.07070	1.4
57.50782	0.5
59.06562	0.6
65.03930	1.6
67.05501	49.1
69.03420	0.8
69.07066	7.5
69.46010	2.6
69.46442	2.0
71.04984	1.5
77.01589	0.5
79.05488	12.5
81.07052	43.1
81.50802	0.5
82.07384	0.6
83.04968	1.6
83.08612	7.3
84.22479	0.5
85.06541	0.9
90.08606	0.5
91.05458	6.2
93.07043	11.6
95.04967	2.3
95.08604	39.5
97.06531	4.7
97.10163	2.9
98.98462	100.0
99.08083	0.8
105.07039	4.4
107.05002	0.6
107.08588	9.2
109.06504	1.0
109.10150	18.4
111.08089	3.6
113.09576	0.5
116.99514	4.2
117.07066	0.8
119.08575	4.7
121.10143	13.0
123.08056	1.5
123.11679	6.7
125.09641	1.5
131.08549	2.6
133.10110	8.2
135.08066	0.7
135.11691	7.4
137.09610	2.7
137.13208	1.4
139.11156	1.3
140.01115	1.9
141.68912	0.6
145.10086	3.0
147.11688	1.8
149.09564	0.7
149.13228	2.8
151.11160	3.0
159.11691	2.5
163.11160	1.0
165.12770	0.6
167.10684	0.8
169.12286	0.6
173.13235	1.9
174.99236	3.1
177.12791	1.0
181.12216	1.5
187.14876	0.8
189.16280	0.6
191.17966	1.1
195.13774	1.1
205.98764	0.7
209.15321	0.7
215.17955	6.6
233.18979	4.7
240.57059	0.7
247.08600	0.5
251.16179	3.2
251.20061	15.8
253.24599	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.164
Annotation	Canusesnol A
Peak:m/z	Relative Intensity
53.03932	2.0
55.01853	1.3
55.05507	4.6
57.07045	3.9
57.96885	0.7
59.04977	2.8
62.25864	0.8
65.03926	0.9
67.05498	10.3
68.21797	0.8
69.03429	4.3
69.07054	3.5
69.98149	1.4
69.98559	3.5
70.43342	0.8
71.04988	34.7
79.05499	6.4
79.05894	1.1
81.03411	1.2
81.07040	8.1
83.04971	7.7
83.08596	3.1
85.02905	1.5
85.06519	3.5
91.05479	7.1
93.07039	9.0
95.04947	7.8
95.08604	10.1
97.06519	9.0
97.10167	1.0
98.98457	100.0
103.05468	1.2
105.07033	10.0
107.04952	2.1
107.08590	11.5
109.06507	2.5
109.10147	8.0
111.08056	3.4
113.05968	3.8
116.99506	3.8
117.06989	3.6
119.08569	11.6
120.65192	0.8
121.06504	3.6
121.09356	1.1
121.10143	15.1
123.08068	5.4
123.11689	3.6
125.05981	17.1
129.06921	1.5
131.04898	0.8
131.08559	5.3
133.06488	3.1
133.10121	5.1
135.08026	2.9
135.11676	5.3
137.09595	15.8
145.06479	1.3
145.10118	9.1
147.08035	18.1
147.11671	7.0
149.09633	5.7
151.07533	4.8
151.11122	1.2
151.14830	2.5
153.09065	1.2
155.10547	1.4
157.10091	1.1
159.08052	1.5
159.11681	1.8
161.05931	1.4
161.13264	1.4
163.11174	30.0
163.14799	1.7
165.06955	1.0
165.53902	0.8
167.10699	0.9
167.67496	0.9
173.09587	1.1
173.13292	3.0
174.99194	3.5
175.11162	5.1
177.09064	1.8
179.07108	1.1
179.14287	12.9
181.12202	8.8
187.14792	3.2
191.07014	1.5
191.14291	3.3
191.17879	1.5
193.08626	2.6
193.12219	2.6
195.10126	1.8
197.13182	1.2
205.08528	1.3
205.15872	2.2
207.13760	3.2
215.14296	3.9
215.17844	1.3
221.07990	1.1
233.08257	1.2
233.15338	18.6
250.75339	0.8
251.06918	2.9
251.12236	1.6
251.16406	37.4
251.19963	3.4
252.12195	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	251.164
Annotation	Sterpuric acid
Peak:m/z	Relative Intensity
53.03945	3.1
55.01854	1.8
55.05508	7.0
56.94636	0.7
57.03424	1.8
57.07074	1.1
59.09348	0.6
59.38890	0.6
61.32962	0.6
65.03926	2.3
67.05502	26.0
69.07060	6.4
69.70689	1.3
69.71101	3.4
71.04976	1.6
79.05487	17.7
79.47220	0.5
81.03413	35.2
81.07048	26.2
83.04976	3.8
83.08607	3.1
85.06545	1.8
91.05473	16.9
93.07037	12.4
95.04961	42.3
95.08604	12.0
97.06529	2.1
98.21499	1.1
98.98458	100.0
103.05423	0.8
105.04604	0.7
105.07024	13.0
107.04943	2.3
107.08578	7.3
109.06519	8.6
109.10135	3.2
111.08062	1.3
115.05439	1.0
116.99490	4.1
117.07024	7.2
119.04980	0.7
119.08580	11.5
121.06503	9.4
121.10115	5.4
123.04431	2.3
123.08052	4.5
123.11698	3.1
128.06239	0.7
129.07002	3.0
131.04849	0.8
131.08551	14.4
133.06491	1.8
133.10156	2.9
135.08049	4.4
135.11714	1.4
137.09593	1.5
140.01086	1.6
143.08549	1.3
145.06499	1.6
145.10129	7.1
147.08044	2.2
147.11664	3.4
149.05984	0.7
149.09634	3.0
149.13264	1.0
151.07558	1.0
155.08565	2.1
159.08051	1.6
159.11690	2.4
161.13214	1.0
165.12749	0.7
169.10120	1.9
169.58475	0.7
171.11697	3.7
173.09656	0.9
173.13264	3.1
174.99214	3.5
177.12686	1.0
187.14832	7.1
189.12796	0.9
191.06990	0.8
194.21278	0.6
197.13239	3.5
205.08485	0.7
205.15884	2.4
215.14316	5.3
233.11847	0.8
233.15359	14.6
251.16360	12.9
251.20090	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.0
57.03429	2.0
61.02914	1.1
66.19743	0.5
69.03432	2.8
69.68035	3.2
70.06600	2.6
72.19379	0.5
81.03421	1.1
85.02903	30.0
87.04470	10.0
88.07629	100.0
89.07940	0.6
91.03989	0.5
97.02892	3.2
98.20811	0.6
98.98467	30.4
102.69395	0.5
109.02869	1.7
116.99521	0.7
118.06585	0.8
120.08105	19.7
120.08966	1.2
127.03896	3.1
136.06207	0.7
145.04892	1.3
162.09108	1.0
164.07068	14.1
174.99254	0.9
178.16730	0.5
190.08655	1.1
250.10759	23.1
251.11203	1.1
253.18900	0.6
270.17749	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1641
Annotation	6-Hydroxy-14-sesquilimonenoic acid
Peak:m/z	Relative Intensity
53.03932	1.2
54.65245	0.5
55.01870	1.3
55.05505	3.3
56.96555	1.8
57.03449	0.7
57.07069	0.9
60.75129	0.5
62.05560	0.5
65.03940	0.7
67.05507	14.8
69.03426	1.2
69.07061	4.0
69.72266	3.3
71.04990	1.3
79.05495	10.6
81.03426	3.2
81.06593	1.2
81.07054	15.2
83.04981	1.6
83.08613	1.3
91.05486	13.7
93.07043	7.5
95.04967	4.7
95.08603	8.9
97.06523	1.4
98.20767	1.0
98.98467	100.0
99.15788	0.6
103.05444	0.8
105.07025	11.5
107.04967	3.2
107.08585	3.1
109.06509	2.9
109.10157	4.4
111.08000	0.7
116.99503	4.5
117.07009	4.5
119.08574	8.1
121.06505	2.3
121.10133	2.5
123.08077	1.1
123.11710	1.3
127.76625	0.6
129.07030	1.6
131.08565	6.2
133.06378	0.6
133.10133	2.0
135.08069	1.5
135.11650	1.3
137.84157	0.5
140.01091	2.0
143.08525	1.0
145.10107	3.3
147.08063	0.7
149.09636	1.3
155.08524	0.9
159.11682	1.1
169.10126	1.2
171.11703	1.4
173.13249	1.3
174.99257	3.6
187.14877	2.0
196.86359	0.6
197.13272	1.0
205.15919	1.5
215.14301	1.0
233.11778	0.7
233.15364	7.1
233.19002	0.7
251.16335	5.8
251.20100	3.0
269.10733	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1848
Annotation	4Z,7Z,10Z,13Z-hexadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03934	5.2
55.01881	2.1
55.05511	20.7
57.07066	2.2
61.33824	2.0
65.03958	1.8
67.05195	2.0
67.05513	31.4
69.07068	22.0
70.64859	3.0
70.65192	3.9
71.04981	5.0
73.06538	2.0
79.05495	99.6
79.44939	1.7
81.06595	3.3
81.07050	40.3
83.04972	3.0
83.08639	10.8
84.93452	2.1
85.06556	2.5
91.05476	35.8
93.07047	100.0
95.04962	7.9
95.08608	31.8
97.06521	2.7
97.10149	2.5
105.04466	2.4
105.07034	30.1
107.08601	55.7
109.06496	2.9
109.10187	11.1
111.08030	2.0
117.07003	6.9
119.08588	25.7
121.09232	2.7
121.10139	54.1
123.08047	4.3
123.11742	3.0
129.06978	6.1
131.08540	8.7
133.10133	28.5
135.08060	4.9
135.11685	41.9
137.09592	2.4
143.08562	3.8
145.10095	5.0
147.08017	3.7
147.11702	28.0
149.09563	4.5
149.13248	9.5
151.26561	2.2
157.10126	4.2
158.84166	2.0
159.11702	2.6
161.09586	8.8
161.13260	6.0
163.11154	2.2
167.10718	2.9
171.11685	8.3
175.11224	6.6
180.04741	1.9
181.12265	3.2
185.13284	3.6
187.14857	3.0
189.12773	4.0
189.16379	9.8
193.12183	5.0
203.14272	5.6
203.17928	3.6
207.13806	6.4
207.24944	2.1
213.16321	11.6
231.15367	2.0
231.17303	9.7
249.18498	73.8
249.76918	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	249.1851
Annotation	4Z,7Z,10Z,13Z-hexadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03943	4.6
55.01870	3.7
55.05516	17.1
56.26489	1.7
57.07040	2.2
64.44775	1.7
65.03919	2.8
67.05505	57.3
69.03421	2.7
69.07058	14.5
70.96756	1.3
71.04977	2.9
71.51268	1.6
77.03860	1.7
79.05494	85.1
81.03403	4.9
81.06590	2.9
81.07057	47.3
83.04971	3.9
83.08620	15.4
85.06522	3.8
90.57468	1.7
91.05485	48.2
93.07044	100.0
94.41145	1.5
95.04972	18.1
95.08604	35.0
97.06524	4.5
97.10163	5.0
103.05486	1.8
105.03371	4.8
105.04506	3.9
105.07034	22.0
107.04951	7.4
107.08592	46.7
109.06519	7.1
109.10155	13.4
110.89534	1.6
111.08053	5.3
113.09698	2.3
115.05485	4.7
117.07019	7.7
118.17522	1.8
119.04942	2.5
119.08595	20.9
121.06490	7.6
121.10143	96.3
123.04416	7.7
123.08031	7.8
123.11687	5.1
125.09656	3.4
128.06203	5.0
129.06993	15.2
131.04889	2.6
131.08572	19.8
133.06506	5.5
133.10126	20.4
135.04425	1.7
135.08072	7.7
135.11690	29.2
137.09598	12.7
137.13278	1.7
141.06982	3.9
142.07704	2.9
143.08554	6.0
144.05705	5.1
145.06531	2.8
145.10106	8.3
146.07320	1.7
147.08009	4.9
147.11667	10.9
149.06021	2.0
149.09663	9.8
149.13254	4.6
151.07512	1.9
151.11174	7.9
153.06886	1.7
153.09108	7.4
157.06483	5.5
157.10156	4.6
159.08099	11.1
159.11629	3.5
161.06023	4.0
161.09604	7.6
161.13271	3.2
163.11153	3.7
165.07027	1.9
165.12723	3.2
167.10727	3.9
169.10197	1.6
171.08060	3.3
171.11691	5.8
175.07457	3.4
175.14879	2.6
185.13255	6.8
187.07523	7.4
187.11139	1.8
189.09087	6.6
189.12753	2.3
189.16290	2.9
193.08606	2.0
193.12361	2.6
203.07011	3.8
203.14394	3.6
203.17992	6.3
204.07910	5.2
207.13795	4.7
213.12733	4.8
213.16386	11.3
231.10139	4.2
231.13805	9.9
231.17419	15.1
231.21068	2.2
249.09064	3.7
249.11238	47.6
249.14825	15.5
249.18503	94.4
249.22186	5.2
249.25188	5.7
250.18956	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	249.1848
Annotation	4Z,7Z,10Z,13Z-hexadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03933	7.7
55.05503	19.2
57.07056	3.8
67.05500	39.6
67.20032	2.5
69.03465	2.5
69.06790	1.9
69.07066	21.9
69.37000	9.7
69.37426	9.9
71.04988	6.0
76.88023	2.2
77.03918	2.5
79.05490	86.3
79.44197	2.4
81.03414	2.4
81.07053	43.3
83.04983	3.4
83.08614	9.0
85.02928	3.7
85.06543	6.1
89.57368	2.3
91.05477	39.9
93.07040	100.0
95.04952	11.8
95.08600	41.9
98.21513	3.1
105.07018	34.6
107.05010	2.7
107.08585	49.4
109.06512	6.9
109.10148	14.9
115.05519	2.5
117.07024	8.3
119.04932	2.4
119.08566	31.9
121.06493	7.9
121.10141	57.0
123.08057	11.4
123.11696	2.9
128.06195	2.4
129.07030	6.2
131.08553	10.4
133.06512	5.1
133.10126	33.8
134.64334	2.3
135.08060	6.5
135.11682	42.4
137.06015	4.6
137.09647	4.0
142.07768	3.5
143.08580	6.0
145.10121	10.3
147.08029	5.2
147.11674	27.1
149.05971	2.4
149.09528	3.8
149.13245	9.5
151.07527	2.7
153.09155	4.0
157.10121	7.3
159.11688	4.8
161.05981	6.8
161.09615	9.2
161.13254	3.8
162.06897	2.5
167.10706	2.7
170.07182	2.3
171.11726	6.7
173.09547	3.6
175.07553	5.5
175.11235	7.0
179.07031	13.2
180.90688	2.6
185.13315	3.5
187.14861	4.0
189.09024	3.6
189.12802	6.4
189.16399	11.3
193.12239	4.3
203.14252	8.4
203.17981	4.1
207.13857	7.9
213.12643	3.0
213.16409	8.5
231.13808	26.2
231.17436	7.7
234.13943	3.2
249.11275	6.2
249.14798	23.8
249.18517	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	249.1122
Annotation	Microhelenin E
Peak:m/z	Relative Intensity
52.10961	0.5
59.90122	0.5
66.38983	0.6
67.05486	0.9
69.35825	2.9
69.36263	2.8
91.05474	7.1
98.20715	0.7
103.05482	1.5
103.27864	0.6
105.07005	2.9
107.04951	2.0
112.46711	0.6
115.05433	5.7
116.06228	3.8
117.07020	2.8
118.34188	0.6
121.06548	0.7
128.06242	9.6
129.07007	19.3
131.04933	1.7
131.07613	1.0
131.08571	18.1
132.05707	0.9
133.06482	2.6
133.10126	1.7
139.05383	0.8
141.06984	10.3
142.07784	3.4
143.04910	0.9
143.08557	2.3
144.04617	0.8
144.05704	10.3
145.06483	5.7
146.07254	3.1
147.04353	1.6
152.06221	1.8
153.07021	2.2
155.06059	1.6
156.05681	1.6
157.06477	9.6
158.07263	2.6
159.08057	27.0
160.05206	1.4
161.05989	3.3
161.09612	7.5
167.07082	0.8
169.06444	2.1
169.07643	2.4
170.07269	10.3
171.08047	6.1
172.05156	3.2
173.05975	4.0
174.06769	2.7
175.07527	2.5
178.06305	1.2
184.05161	1.2
185.05988	1.6
187.07542	18.0
188.08315	1.2
189.05450	2.8
189.09087	9.6
191.07039	1.5
198.06729	2.1
199.07578	1.9
201.05441	1.9
203.07086	6.1
204.06105	1.1
204.07829	11.0
205.08647	2.5
206.09328	1.3
216.07809	3.9
217.08569	1.0
218.09308	1.3
219.10167	1.8
221.08098	1.2
221.11726	2.7
231.10184	7.1
240.86314	0.6
249.11223	100.0
250.11496	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1122
Annotation	Microhelenin E
Peak:m/z	Relative Intensity
55.01852	0.7
55.05503	1.4
56.81620	0.7
57.07064	1.0
67.05506	3.9
69.03416	0.9
69.07043	2.4
69.96548	2.7
69.96964	1.2
79.05479	2.1
80.35834	0.6
81.07053	7.2
83.08599	1.4
91.05465	7.0
93.06998	1.1
95.04977	1.3
95.08593	5.3
98.21477	1.0
105.07027	3.9
107.04960	2.0
109.10144	4.4
115.05452	4.6
116.06258	3.7
117.06982	2.8
119.08573	0.9
121.06512	1.2
123.11710	3.4
128.06236	11.4
129.07002	20.9
130.00098	0.7
130.07800	1.2
131.04919	2.2
131.08566	19.2
132.81647	0.7
133.06479	3.2
133.10080	1.9
141.06976	11.5
142.07780	5.0
143.04939	1.4
143.08563	4.2
144.05707	9.1
145.06483	6.1
145.10141	0.9
146.07262	4.0
147.04395	1.3
147.07837	0.8
152.06224	1.3
153.07028	1.6
155.06090	1.7
156.05681	1.9
157.06485	11.4
157.07735	0.8
158.07220	2.3
159.04497	0.8
159.08052	30.7
160.05147	1.5
161.05983	3.3
161.09602	8.1
167.07080	1.3
169.06419	1.7
169.07654	1.9
170.07268	9.3
171.04388	1.5
171.08061	6.8
172.05148	3.9
173.05966	4.7
174.06767	2.5
175.07462	3.6
178.06197	1.2
185.05957	1.1
186.06712	1.3
187.07535	18.0
188.08243	1.6
189.05453	3.1
189.09094	10.3
190.06216	1.4
191.06981	1.3
193.08603	1.1
198.06764	2.0
199.07526	2.9
201.05476	1.9
203.07016	7.6
204.07822	14.6
205.08572	2.1
206.09401	1.6
216.07814	4.6
217.08556	1.7
217.83430	0.7
218.09378	1.8
219.10127	2.4
221.08081	1.5
221.11723	3.1
231.10161	8.2
231.13672	0.9
244.17867	0.8
249.11215	100.0
249.25815	1.0
250.11578	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0371
Annotation	Unknow
Peak:m/z	Relative Intensity
60.95912	9.6
62.01362	12.2
71.50900	16.2
78.51032	11.3
85.02938	12.6
91.30143	10.0
94.93024	100.0
98.97650	11.7
119.01939	22.1
133.03407	15.1
152.43776	10.6
161.03040	15.2
161.31554	11.1
206.88570	14.7
248.89622	14.1
249.03754	63.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1121
Annotation	Microhelenin E
Peak:m/z	Relative Intensity
55.01841	0.9
58.11534	0.8
67.05473	0.8
69.03429	1.2
70.94701	1.8
73.26536	0.7
79.05489	1.0
81.07033	1.3
91.05477	6.5
93.07058	1.0
95.04956	1.0
95.08642	0.9
97.02881	0.8
103.05450	2.0
105.07030	3.2
107.04950	2.1
115.05473	4.7
115.37392	0.8
116.06250	3.6
117.07024	2.8
119.08585	1.5
121.06470	1.7
123.08073	0.9
128.06216	8.4
128.27232	0.8
129.07002	19.3
130.07709	0.9
131.04906	3.0
131.08568	16.8
132.05722	1.0
133.06483	3.2
133.10101	1.9
139.05461	0.9
141.06990	10.6
142.07811	3.6
143.08569	3.7
144.05678	8.0
145.06487	5.7
146.07205	2.3
147.04318	1.3
147.07997	0.9
150.32761	0.7
152.06209	0.8
153.06956	2.2
155.05991	1.2
156.05685	2.2
157.06493	10.7
158.07259	1.6
159.04414	1.3
159.08052	25.9
160.05235	0.8
161.05965	3.4
161.09604	5.3
167.06979	1.5
169.06404	1.5
169.07635	2.3
170.07304	7.5
171.04382	1.1
171.08063	6.2
172.05237	4.0
173.05995	5.2
174.06761	1.9
175.07506	3.1
185.05948	1.0
186.06775	1.0
187.07542	18.2
188.08246	1.2
189.05507	4.0
189.09096	9.7
190.06139	1.1
191.07036	2.0
191.37340	0.8
192.07927	0.8
198.06779	1.0
199.07550	2.5
201.05470	0.9
203.07033	5.6
203.08685	1.1
204.07796	12.5
205.08562	1.9
206.09427	1.3
216.07756	2.7
217.08473	1.7
219.10091	1.8
221.08051	1.1
221.11731	2.5
231.10138	7.6
231.13779	1.1
234.08989	0.9
249.11214	100.0
250.10857	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	247.2056
Annotation	(S)-Panaxjapyne A
Peak:m/z	Relative Intensity
53.03941	2.2
55.01853	3.5
55.05510	17.9
57.07068	2.3
63.59428	1.4
67.05507	25.4
68.70404	1.5
69.07066	12.2
71.51157	1.9
79.05489	19.1
81.07056	23.1
83.04965	3.0
83.08618	4.0
91.05502	15.0
93.07038	30.0
95.04954	5.5
95.08604	21.2
97.06539	11.7
97.10152	2.8
98.98486	2.6
104.10712	2.3
105.07027	18.0
107.08598	25.8
109.06500	5.8
109.10150	19.1
117.06984	8.3
119.08566	17.2
121.06505	4.8
121.10146	17.0
123.08058	4.2
123.11700	5.2
131.04922	2.3
131.08559	9.4
133.06490	1.8
133.10150	11.1
135.08052	5.0
135.11690	8.0
137.09608	8.0
138.18716	1.7
145.10124	12.1
147.04391	4.5
147.11638	7.5
149.09653	8.8
149.13216	4.1
151.07666	1.6
151.11160	12.5
159.11688	15.7
161.13255	4.9
163.11217	10.5
163.14737	2.9
165.12738	10.8
168.27687	1.5
173.13243	7.3
175.03909	29.8
175.14891	1.8
177.12755	5.0
179.14340	4.2
187.03966	1.7
187.14842	5.5
189.16391	3.0
191.14247	4.3
201.05338	1.8
201.16299	2.2
203.17979	5.0
205.15810	2.6
229.08539	5.9
229.16017	2.6
229.19499	45.7
247.09660	6.3
247.16896	5.5
247.20569	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.2055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.2
54.99646	1.0
55.01865	3.3
55.05507	12.0
57.03443	5.1
57.07084	3.0
60.07666	1.1
63.00646	1.0
67.05503	36.8
69.03407	2.1
69.07060	13.3
69.70770	4.4
69.71178	3.0
71.04998	2.8
72.58044	1.1
76.49762	1.1
79.05489	32.3
81.03419	3.8
81.07053	100.0
83.04970	3.9
83.08608	5.6
85.06564	1.8
91.05476	16.5
93.07037	24.6
95.04965	9.6
95.08602	23.1
97.06538	2.7
98.98463	11.7
99.08089	2.6
103.05407	1.4
105.07025	12.7
107.04925	2.2
107.08594	19.3
109.06516	33.6
109.10152	7.4
109.34462	1.2
111.04438	1.7
111.08089	2.3
117.07004	4.2
119.04918	1.6
119.08582	12.5
121.06518	3.8
121.10133	17.9
123.08076	5.0
123.11693	9.5
129.07010	1.8
131.04933	1.6
131.08549	8.2
133.10155	8.3
135.08023	5.8
135.11678	8.0
137.09608	4.3
137.13223	1.2
143.08453	1.7
145.10129	9.6
147.04437	5.1
147.11676	6.6
149.09613	4.8
149.13203	6.8
151.11235	2.3
159.11687	8.5
161.09625	1.5
161.13278	4.9
163.11188	3.7
163.14806	3.4
165.12715	1.7
171.11792	1.3
173.02092	2.5
173.13254	5.0
174.79936	1.1
175.03903	29.9
175.11292	1.1
175.14839	4.3
177.09123	1.8
177.12810	2.2
177.16338	1.5
187.03943	1.1
187.14787	6.3
191.10710	1.2
191.14275	1.9
197.48242	1.3
201.05508	1.6
201.16367	2.2
201.31673	1.1
205.15926	2.5
219.21065	1.3
229.08607	5.0
229.15826	2.1
229.19498	10.9
247.05911	2.9
247.09686	6.6
247.13293	1.3
247.16965	30.4
247.20599	39.9
248.17221	1.1
248.20779	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	247.1692
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
53.03932	1.6
55.01858	3.8
55.05502	6.3
57.03431	1.8
57.07071	1.3
67.05503	15.4
69.07067	11.8
70.04984	3.7
71.04980	1.7
73.06544	1.1
79.05493	14.0
81.07047	13.8
83.04960	4.5
83.08604	2.3
91.05479	20.3
93.06493	1.3
93.07040	14.9
95.04953	4.2
95.08599	10.9
97.06530	4.2
105.07032	24.6
107.04960	7.9
107.05596	1.7
107.08578	10.6
109.06516	2.8
109.10157	3.8
111.08107	1.6
111.36807	1.1
115.05441	1.3
117.07013	11.6
119.08582	15.1
121.06498	5.4
121.10098	7.0
123.08013	1.5
128.06192	1.1
129.06961	3.4
131.08557	16.7
133.06421	1.3
133.10132	9.8
135.08043	4.5
135.11684	6.6
137.09645	2.5
143.08556	3.7
145.06465	2.4
145.10124	20.8
147.08034	3.2
147.11714	5.8
149.09598	14.6
151.11172	3.4
155.08537	3.2
159.08035	1.6
159.11702	7.7
161.09639	2.5
161.13150	2.6
163.07535	1.2
163.11169	11.8
166.89716	1.1
167.08484	1.0
169.10153	3.3
171.11658	1.4
173.09637	5.3
173.13231	2.9
174.10579	1.1
175.03868	4.5
175.11115	1.6
177.12827	1.6
177.16319	1.7
179.10683	7.2
183.11667	2.0
185.13271	2.8
187.11182	4.1
187.14815	6.6
189.12704	1.3
191.10657	6.2
191.17995	1.4
201.16380	11.5
205.12285	2.4
211.14807	5.2
219.17459	9.7
226.30417	1.3
229.15863	15.2
240.21255	1.0
247.16930	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.2054
Annotation	(S)-Panaxjapyne A
Peak:m/z	Relative Intensity
53.03928	2.5
55.01870	3.6
55.05509	18.5
57.03421	1.9
57.07071	4.5
65.03925	1.8
67.05501	27.7
69.03420	1.2
69.07063	16.0
69.28197	6.4
71.04981	1.2
71.08634	0.8
79.05488	27.9
81.03387	1.3
81.07049	33.3
82.07372	0.6
83.04969	5.2
83.08609	5.5
85.06527	1.3
91.04910	0.9
91.05474	20.1
93.07037	40.8
95.04382	0.9
95.04965	11.9
95.07986	1.2
95.08600	21.6
97.06528	4.4
97.10157	2.9
98.98438	0.9
103.05469	0.6
105.04491	0.9
105.07025	16.5
107.04951	7.7
107.08583	22.7
109.06516	8.5
109.10154	10.5
111.08062	2.0
114.40457	0.5
117.06998	6.9
119.04930	0.7
119.08575	11.6
120.23589	0.5
121.06485	7.4
121.10131	21.5
123.08037	4.1
123.11692	4.9
129.06969	1.0
131.08569	11.2
133.10127	9.9
135.08029	5.0
135.11678	12.1
137.09616	4.2
145.10118	9.0
147.04433	0.7
147.07986	0.7
147.11658	7.4
149.09608	6.5
149.13248	7.5
151.11163	7.0
159.11655	6.6
161.13228	2.7
163.11160	7.5
163.14798	2.1
165.12714	2.4
173.13234	6.0
175.03857	7.2
175.14748	1.5
177.12730	2.9
177.16402	0.8
179.14369	1.2
186.96062	0.6
187.14929	2.8
189.16324	1.7
191.14314	3.7
201.16374	1.9
203.17883	1.0
205.15865	1.9
219.21075	1.1
229.08490	1.2
229.15945	0.7
229.19507	9.2
247.09587	1.5
247.20555	100.0
248.07088	0.9
248.20842	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	247.1692
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
50.38033	2.1
52.61183	2.3
53.03934	4.6
54.20358	2.2
55.01863	3.8
55.05506	24.2
56.25379	2.5
57.07058	5.0
62.94292	2.7
67.05183	4.1
67.05506	40.4
69.03423	3.2
69.07063	17.3
71.04980	3.6
71.51047	3.5
71.51460	2.7
72.08147	4.9
79.05488	52.4
81.03386	2.9
81.07053	49.7
83.04976	5.6
83.08604	6.8
85.41347	2.5
91.05479	57.5
93.07043	52.1
93.75043	3.2
95.04951	7.2
95.08592	28.1
95.94556	2.6
97.06534	8.4
103.05470	3.7
105.07027	50.0
107.04926	8.9
107.08593	30.1
109.06512	8.7
109.10152	18.8
111.03783	2.6
115.05431	2.8
117.07015	36.4
119.04932	6.3
119.08580	41.0
120.08121	12.2
121.02898	2.9
121.06522	7.5
121.10149	20.3
123.08009	4.6
123.11680	3.9
128.06181	3.6
129.06973	11.2
130.07806	4.0
131.08566	69.7
131.44664	2.4
133.10126	39.0
135.08061	10.6
135.11674	4.5
137.09695	5.3
137.74986	3.0
141.06934	6.2
143.08575	8.6
145.10118	54.6
147.04401	17.8
147.11670	11.6
149.09612	31.4
151.07468	2.6
151.11160	7.5
155.08423	3.9
157.10132	10.6
159.08061	3.4
159.11679	48.4
161.13223	3.7
163.11182	9.5
165.12769	3.9
169.10135	5.1
173.05939	2.7
173.09605	4.1
173.13229	27.1
175.03894	70.2
177.09102	4.3
177.12788	3.4
183.11676	4.8
185.13248	15.8
187.03925	6.8
187.11174	3.9
187.14828	7.9
189.16432	2.7
191.10687	4.4
200.37039	2.4
201.12578	3.7
201.16371	97.9
205.12236	4.1
211.14780	9.2
229.08591	10.7
229.15894	35.6
229.19478	21.6
247.05978	5.8
247.09740	14.7
247.13187	5.4
247.16920	100.0
247.20570	47.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1693
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
50.15253	0.6
51.02372	0.7
53.03930	2.2
55.01869	4.8
55.05275	0.7
55.05513	11.7
57.03418	2.7
57.07061	0.7
65.03922	2.3
67.03750	0.6
67.05502	15.6
68.67817	0.6
69.03406	2.0
69.06738	0.7
69.07067	10.6
69.60271	0.6
69.87716	2.2
69.88139	1.3
71.05000	3.2
71.20352	0.7
79.05490	28.7
81.03403	2.0
81.07053	41.1
83.04981	4.3
83.08611	3.5
85.06546	1.5
91.05477	36.5
93.07038	21.2
95.04965	6.9
95.08608	13.2
97.06529	4.1
97.10149	1.3
98.21462	0.8
99.08084	2.7
103.05464	1.3
105.07027	36.2
107.04960	6.9
107.07878	1.3
107.08588	14.8
109.05810	1.3
109.06517	20.1
109.10157	4.8
111.08057	2.5
113.05975	0.9
115.05402	1.8
116.06207	1.1
117.07010	15.2
118.07852	1.0
119.04916	1.1
119.08578	25.9
121.02859	9.5
121.06514	4.4
121.10139	8.8
123.08092	5.0
125.09634	1.3
128.06200	1.4
129.07022	5.2
130.07716	1.5
131.04913	1.5
131.08557	21.9
133.06483	2.1
133.10126	21.3
135.08046	15.5
135.11679	2.9
137.09618	5.0
139.07555	0.8
141.06987	2.7
142.07756	0.7
143.08563	4.9
144.09315	1.2
145.06497	2.5
145.10115	24.7
146.10844	0.8
147.04384	2.9
147.08040	3.6
147.11688	8.0
148.03001	0.7
149.08440	1.0
149.09613	14.3
151.07578	1.1
151.11153	2.4
153.08948	0.6
155.08534	3.4
157.10168	3.2
159.08069	3.1
159.11670	10.1
161.09593	2.7
161.13225	1.0
163.11168	5.8
165.09105	2.9
168.09358	0.7
169.10149	7.4
171.11661	1.8
173.09627	2.8
173.13226	4.8
175.03897	14.6
175.11174	1.9
177.09108	3.5
177.12798	1.4
177.16364	0.7
182.10858	1.2
183.11638	3.7
185.13254	5.5
187.03844	1.0
187.07544	0.7
187.11205	5.0
187.14830	9.7
191.10582	0.8
191.14323	0.9
196.12381	0.8
201.12785	3.3
201.16400	11.8
203.14314	0.9
205.12283	1.3
205.15793	1.2
211.14822	9.1
219.17453	2.9
229.08621	2.3
229.12363	1.0
229.15868	23.3
247.09729	2.3
247.16928	100.0
247.20459	4.2
247.24414	2.0
248.17384	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1693
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
55.01860	5.7
55.05511	14.8
57.03428	17.1
57.07057	7.8
59.33792	3.1
63.39835	2.8
66.51418	2.4
67.05505	24.6
69.03404	4.5
69.07064	16.0
70.79743	2.7
71.51040	2.3
71.51465	3.7
79.05486	34.7
81.07054	36.5
83.04967	5.2
83.08610	5.3
85.06551	3.2
91.05480	53.8
93.07050	27.9
95.04951	7.7
95.08618	16.1
97.06522	4.6
98.98466	63.4
103.05459	4.5
105.00120	2.8
105.07032	44.5
107.04934	8.1
107.08593	25.5
109.06519	8.0
109.10154	6.5
115.05558	2.9
117.07026	22.0
119.04934	4.9
119.08589	30.1
121.06486	8.5
121.10148	8.6
123.08108	4.3
123.11726	3.0
129.07030	5.3
131.08586	29.8
133.10136	24.9
135.08072	17.8
135.11678	4.3
137.09653	4.6
143.08574	4.2
145.06441	3.1
145.10114	27.7
147.04430	20.0
147.08057	4.3
147.11659	10.7
149.09627	16.7
157.10135	9.3
159.11723	11.3
161.09622	3.5
163.11264	3.7
169.10153	9.3
173.02168	14.3
173.09589	3.9
173.13271	20.2
175.03909	100.0
175.11188	11.8
179.54596	2.7
185.13257	7.1
187.07521	2.8
187.11247	3.3
187.14874	7.0
191.14310	50.1
201.05486	3.6
201.12698	2.9
201.16400	12.0
211.14761	6.8
229.08641	18.8
229.15866	21.0
229.19481	5.2
247.05856	5.4
247.09721	19.0
247.16951	92.3
247.20500	16.2
247.24527	5.7
262.80231	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	247.1692
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
55.01869	2.9
55.05508	13.1
57.03432	3.4
57.07067	1.3
65.03954	1.1
65.91830	0.8
66.13952	0.8
67.05505	16.5
69.03431	2.3
69.07071	11.9
71.02771	2.3
71.04984	3.4
72.18965	0.9
73.06557	1.3
79.05492	23.7
81.03426	1.0
81.06593	1.3
81.07056	19.4
83.04969	3.5
83.08608	3.7
85.06538	2.6
91.05486	42.3
93.07043	22.3
95.04967	5.3
95.08601	15.9
97.06530	2.2
99.08081	1.2
101.06030	1.4
103.05481	2.6
105.07028	51.5
107.04970	5.1
107.08589	15.0
109.06503	5.0
109.10135	4.1
110.08008	1.0
111.04361	1.0
111.08062	1.7
115.05455	2.8
116.06235	1.2
117.07021	16.7
118.07746	1.0
119.08579	37.5
121.02856	2.5
121.06493	4.2
121.10136	7.2
123.08077	3.7
125.09619	1.5
128.06203	1.9
129.07019	6.6
131.08574	26.2
132.57704	0.9
133.06493	1.0
133.10135	26.8
135.08058	11.0
135.11693	3.7
136.42505	0.9
137.09601	3.3
141.06963	2.9
143.08563	6.9
145.06506	2.4
145.10123	36.3
147.04414	5.5
147.08070	2.9
147.11694	13.9
149.09621	13.9
149.13184	1.0
151.11194	1.2
155.08554	3.7
157.10147	5.2
159.08055	1.3
159.11688	10.5
161.09596	4.3
163.11192	4.8
165.09172	1.4
169.10202	7.0
171.11755	2.3
173.09625	4.2
173.13274	5.9
175.03920	24.4
175.11212	4.1
177.09166	1.6
183.11690	5.1
185.13264	6.2
187.03946	1.3
187.11264	4.8
187.14809	9.7
189.07072	1.3
191.10713	2.3
191.14380	1.6
201.05621	1.1
201.12668	3.5
201.14568	1.4
201.16379	10.7
205.12247	2.0
211.14842	10.3
219.17410	1.6
229.08537	3.6
229.12234	1.9
229.15854	18.4
229.19467	1.5
247.09822	6.6
247.13052	2.6
247.16942	100.0
247.20483	6.1
247.24490	2.2
248.17305	1.5
255.09456	0.9
261.08990	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1327
Annotation	Loxoprofen
Peak:m/z	Relative Intensity
53.03935	3.5
54.95050	1.7
55.05495	7.6
57.07080	4.0
59.04968	1.7
65.03928	4.2
67.05499	5.0
69.03426	19.4
69.07066	4.0
70.88613	4.1
70.88972	4.0
71.47070	2.0
76.53368	1.7
79.05489	9.9
81.07043	15.7
83.04961	16.8
83.08635	1.7
91.05473	24.4
93.03365	2.2
93.07039	16.6
93.56638	1.8
95.04958	6.4
95.08620	9.7
97.02880	8.9
97.06519	2.4
103.05470	2.5
105.07016	18.9
107.04977	3.0
107.08591	16.5
109.02858	10.7
109.06525	12.2
109.10127	6.5
111.04399	3.9
115.05424	6.1
116.06215	1.8
117.07027	13.1
119.05050	2.8
119.08572	19.4
121.02861	5.8
121.06501	16.3
121.10124	5.2
123.04428	2.6
123.08001	2.8
128.06219	5.3
129.06979	11.4
130.07854	2.1
131.04955	3.3
131.08568	25.2
132.05591	1.9
133.06485	2.4
133.10132	8.4
135.08049	28.0
135.11714	3.1
137.05942	6.6
137.09622	5.0
139.03853	1.9
141.06956	6.8
142.07791	2.7
143.04845	2.2
143.08551	13.3
144.05649	4.9
144.09325	7.3
145.06468	14.0
145.10109	14.2
147.04369	8.5
147.08008	6.6
147.11720	2.1
149.05945	2.5
149.09621	20.6
150.10382	4.6
151.03882	4.2
151.11130	2.6
153.06963	2.7
153.09146	2.2
155.08546	3.8
157.06494	3.7
157.10081	4.3
158.07265	4.4
158.10893	11.2
159.08060	19.0
159.11667	25.9
160.08844	5.9
161.05928	3.1
161.09627	6.4
163.07518	20.8
163.11198	2.7
165.09077	4.5
168.09300	4.6
169.06439	3.0
169.10059	3.3
170.10893	5.3
171.07997	7.6
172.08836	16.5
173.05997	3.0
173.09625	28.6
173.13251	33.7
175.03893	29.5
175.07469	4.1
181.06461	2.5
183.11667	8.4
185.09483	2.3
186.10399	19.8
187.07660	9.7
187.11162	100.0
187.14771	3.4
189.05441	9.8
189.06975	2.9
189.09123	2.8
190.07768	4.5
191.07037	36.7
191.08580	2.8
193.10165	2.3
196.08786	8.2
201.09184	4.4
201.12743	58.2
203.06998	2.9
204.07687	4.0
205.08588	3.2
205.12193	4.7
211.11139	9.2
214.09883	3.2
215.06967	3.1
217.08566	5.4
218.07326	4.0
218.09311	2.3
219.08015	10.2
219.10045	3.9
219.13803	5.7
229.08578	6.3
229.12222	59.7
229.15758	3.8
232.07243	2.6
247.07457	20.5
247.09709	26.2
247.13277	89.9
247.16830	11.0
248.08342	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	247.0127
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11376	0.6
54.67859	0.5
55.05509	1.4
56.05042	0.6
56.96564	100.0
57.03428	1.2
61.02928	1.0
65.03965	0.6
67.05505	1.8
69.03429	2.7
69.07067	0.8
69.43925	4.4
70.98119	11.4
71.05003	0.6
71.95257	1.1
72.08154	2.9
73.02924	0.9
74.97599	6.2
75.11538	0.6
79.05502	1.6
81.03402	1.4
81.07075	1.3
83.05016	0.6
84.04527	1.4
84.08148	1.0
84.96030	6.6
85.02898	3.6
85.06559	1.1
86.09702	2.3
86.97602	2.3
88.04015	0.7
88.99162	8.0
91.05493	2.4
92.98626	1.1
93.07043	1.3
95.04975	1.2
95.08601	1.1
97.02905	2.0
97.99217	1.2
98.21499	1.0
98.97586	10.2
100.45666	0.7
100.99164	5.0
101.00884	0.8
102.97076	0.7
105.07023	0.7
107.00198	3.7
109.02930	0.8
109.06474	0.6
110.97579	3.0
111.04449	0.6
112.47224	0.5
112.95512	0.9
115.03951	0.6
115.07639	0.5
116.98624	8.9
118.08676	0.7
119.00157	6.6
119.01965	2.3
119.04995	1.0
121.01670	1.1
121.10181	0.8
126.88176	0.5
126.97045	1.0
127.03968	0.9
128.98598	8.1
128.99464	0.8
130.08635	0.8
130.96548	2.7
131.00143	0.6
131.01900	1.7
131.08604	0.7
132.10216	0.6
133.01744	3.9
133.03506	1.2
134.99655	5.7
137.01277	1.5
142.01816	1.2
143.00217	1.4
144.98077	16.0
145.01790	0.7
145.10143	0.7
146.99632	9.3
147.01495	0.6
147.03339	1.0
147.04306	2.7
148.00151	0.6
148.97583	5.7
151.02763	1.3
153.00726	0.8
153.05397	0.5
157.03523	0.8
158.99733	2.2
161.01268	3.9
161.02925	1.0
162.99142	33.1
163.02765	1.1
163.04158	0.5
165.00676	4.5
165.04234	0.7
166.98730	1.6
170.01279	0.9
173.02959	0.7
173.05901	0.6
175.03899	13.1
177.00729	3.3
179.02281	1.3
181.00206	18.0
186.00784	1.4
186.99194	2.5
189.00719	0.9
189.09123	0.7
199.01198	2.9
201.00740	1.1
201.12613	1.0
203.11061	1.5
204.01872	1.3
205.00191	24.0
212.07820	0.7
219.01871	1.6
221.05099	1.6
221.08324	0.6
223.01247	63.0
228.01736	3.2
229.08498	2.9
229.12112	0.7
232.03778	0.8
237.02776	3.3
241.02315	9.7
242.02989	0.7
246.02879	5.2
247.01329	1.7
247.04379	1.2
247.06720	1.5
247.09944	2.7
247.13278	1.6
255.98810	0.6
265.02368	1.5
265.05746	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	247.0424
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76665	1.5
69.50970	12.2
79.10136	1.3
83.15456	1.6
97.47124	1.8
99.02808	1.4
101.00885	10.1
103.00615	2.9
113.00856	1.7
115.02464	2.3
116.58074	1.4
119.01919	23.9
121.01653	4.6
131.01878	1.8
133.03436	3.5
137.02948	2.8
144.99812	3.9
154.74359	1.5
161.02928	2.0
166.89737	1.4
167.03146	2.7
168.99821	3.4
173.03014	2.3
175.03960	2.0
177.02464	2.5
187.00851	6.2
187.02307	2.7
190.98653	1.5
196.99318	2.0
215.00313	11.6
219.03731	1.6
229.03224	29.1
233.01497	1.8
240.52657	1.6
247.04280	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1021
Annotation	Tensyuic acid A
Peak:m/z	Relative Intensity
53.03947	2.7
55.01863	4.2
55.05499	4.6
56.96561	2.3
57.03448	9.8
60.82328	2.0
62.59472	2.0
64.33425	1.8
65.03935	15.1
67.05488	6.0
68.91505	1.5
68.99780	5.6
69.03421	3.9
69.07050	1.9
70.06590	3.5
71.05008	1.7
71.50832	2.4
72.08134	2.4
75.04459	5.1
79.05486	6.1
81.03401	5.1
81.07039	3.9
83.04985	11.8
83.08586	2.4
84.04488	2.0
84.08128	3.6
85.02885	7.1
86.05977	1.9
87.04433	2.2
91.05482	11.4
93.03398	6.9
93.07042	6.7
93.44666	1.7
95.04975	15.1
95.08614	3.6
97.02895	3.8
98.03683	3.2
100.11257	12.4
103.05488	2.9
105.03302	1.8
105.07019	2.1
107.04911	4.1
109.02895	4.5
109.06489	3.3
110.03672	3.0
111.04439	52.8
116.79956	1.5
121.03974	3.1
121.06490	9.9
123.04397	11.8
124.03926	2.8
125.02338	3.1
125.04285	3.3
125.06019	3.5
127.03876	2.3
131.01906	2.3
132.51042	1.5
133.02826	2.9
135.04419	2.3
137.05963	4.9
139.03896	100.0
140.04657	4.4
141.01778	2.3
148.05183	4.5
148.75452	1.9
149.05981	9.9
151.03882	3.2
151.94336	1.7
153.05479	2.3
154.02602	8.6
154.93610	2.2
155.03455	3.2
156.04201	8.7
157.06535	1.7
162.03082	1.8
163.03896	3.3
164.07103	1.8
164.84271	1.7
165.05470	17.8
167.03438	3.5
167.07204	2.1
169.04997	23.5
170.05730	13.6
171.06526	39.9
174.02983	2.0
175.03868	4.5
177.05519	12.3
181.04976	2.2
182.05687	3.1
183.06551	9.6
189.16484	1.9
194.05710	4.2
195.06497	18.3
197.08136	6.5
202.02577	7.1
203.03557	2.3
209.08112	20.0
213.07617	8.2
217.05019	3.4
227.09016	3.6
245.04483	18.4
245.08104	3.3
245.10159	36.5
245.18678	8.0
245.22678	3.7
246.11340	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0505
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	6.2
57.03392	0.6
58.99856	2.2
59.26711	0.5
63.12333	0.5
68.98288	2.4
69.03424	2.1
70.03785	0.6
70.06596	1.0
70.98136	0.7
70.99857	2.1
71.49504	0.9
76.71073	0.5
77.00890	2.8
79.80987	0.6
81.03404	2.7
82.99844	2.9
84.08138	0.7
84.96045	0.7
85.02906	1.7
86.99335	2.4
87.02528	0.5
88.99180	0.5
89.00909	2.3
94.99895	0.6
95.01926	0.7
97.01373	1.0
97.02882	4.2
98.97578	5.4
100.11263	0.7
101.00878	37.7
103.02464	1.7
105.00357	1.6
107.04988	0.7
109.02869	2.4
113.00856	4.5
115.02412	4.2
116.98605	4.0
119.01916	100.0
120.02007	2.2
121.03542	0.6
123.01395	0.7
124.02461	1.3
124.95479	0.6
127.02409	4.5
129.00333	0.7
129.03976	2.2
131.01892	18.9
132.01985	1.0
133.03455	4.2
134.99649	1.8
137.00798	1.3
137.02963	12.1
139.02406	2.1
142.03496	3.4
142.96526	1.9
143.01900	15.6
144.02727	0.6
144.89186	0.6
145.03458	25.2
146.03488	0.9
147.01350	3.6
147.05069	3.1
148.74797	0.6
149.02995	1.6
151.04509	0.6
153.04010	0.8
154.54901	0.7
155.01881	25.0
156.02684	1.0
157.03473	17.9
158.03471	0.7
159.01460	0.7
160.97557	1.3
161.02957	29.5
162.03156	0.8
163.04526	3.2
163.55444	0.7
167.01886	11.9
169.03441	3.0
170.96085	0.9
171.05020	6.9
173.02962	30.6
174.02998	1.0
175.04509	8.6
177.02429	1.0
179.01894	6.1
181.03462	0.7
184.04535	1.1
185.02948	82.0
186.03136	2.6
187.04521	8.0
188.97060	4.5
189.06174	1.2
191.03983	2.6
193.00301	0.9
196.04526	1.5
197.02945	30.4
198.03094	0.9
199.04495	0.9
202.98621	1.5
203.04005	20.0
204.04060	0.8
206.98178	2.8
208.04538	3.9
209.02777	0.6
215.03990	11.0
220.04503	1.3
220.99620	1.0
221.03172	0.7
221.05048	11.4
222.05156	2.5
226.05632	1.1
227.03975	4.9
227.05981	0.8
233.05038	0.8
239.06187	0.8
240.06325	1.7
245.05051	40.3
246.05171	0.8
263.05914	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	245.0506
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15554	0.5
56.96563	4.6
57.03448	1.0
58.99854	3.0
61.02897	0.7
68.77247	0.5
68.98290	1.4
69.03430	2.2
70.06588	0.8
70.99860	1.4
71.50692	0.9
71.95250	0.7
72.08147	0.6
73.02892	0.7
77.00906	3.5
79.14359	0.5
81.03416	2.3
82.19180	0.5
82.99835	2.4
84.08132	0.7
85.01415	0.8
85.02895	1.6
86.99332	1.9
89.00888	2.1
94.99812	0.5
95.01926	0.8
97.01341	0.6
97.02878	4.5
97.31366	0.4
98.97581	2.8
101.00878	38.4
102.00938	1.2
103.02446	1.5
105.00404	2.2
107.01891	0.7
109.02869	2.0
113.00869	4.7
113.13823	0.5
115.02443	4.5
116.98603	2.5
117.04060	0.4
118.01156	0.5
119.01919	100.0
120.01997	2.5
121.01641	0.7
121.03448	1.0
123.01404	1.1
124.02468	1.1
124.95515	0.5
127.02393	3.9
127.03862	0.5
129.00357	0.7
129.03969	2.9
131.01904	19.3
132.01952	0.8
133.03461	6.1
134.03644	0.5
134.99638	1.4
137.00845	1.6
137.02956	16.5
139.02377	1.7
141.03900	0.5
142.03494	3.9
142.96533	0.8
143.01895	15.6
144.02715	0.7
145.03458	26.1
147.01398	3.8
147.05008	3.3
149.02974	3.0
151.04514	0.6
153.04021	0.8
154.54797	1.1
155.01888	26.0
156.02667	1.5
157.03467	20.2
158.03612	0.9
159.05038	0.7
160.97589	1.1
161.02957	32.4
162.03008	0.8
163.04524	5.7
164.05220	0.8
165.02525	0.5
167.01907	12.8
168.05051	1.2
169.03482	3.7
171.05035	6.8
173.02959	35.9
174.03120	1.4
174.48628	0.5
175.02899	0.8
175.04523	7.9
176.04704	0.7
178.03523	0.9
178.66646	0.4
179.01874	6.1
179.04021	1.0
184.02206	0.5
184.04543	1.4
185.02951	85.5
186.03188	1.9
187.02988	0.7
187.04529	8.7
188.97040	1.7
189.02443	0.7
189.06044	0.9
191.04033	3.5
196.04573	1.8
197.02954	33.9
198.03125	0.7
199.04488	1.4
202.98582	0.9
203.03996	24.7
204.04205	1.6
205.03561	0.7
205.05493	1.1
206.98099	2.2
208.04572	5.9
209.02959	1.2
215.04004	10.1
217.05608	0.5
220.04533	1.5
220.99615	0.9
221.03035	1.3
221.05051	12.6
222.02582	0.5
222.05136	2.2
225.53900	0.4
226.05553	1.0
227.03999	4.8
233.04985	1.0
239.06181	0.5
240.06288	2.4
244.06685	0.5
245.05060	46.8
246.05241	1.0
263.03583	0.9
263.05923	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	243.138
Annotation	Methyl 5-methyl-8-isopropyl-2-naphthalenecarboxylate
Peak:m/z	Relative Intensity
53.03954	2.7
55.05516	7.5
57.07065	2.0
65.03937	1.5
67.05494	3.5
69.07069	3.4
69.98283	5.3
79.05501	6.1
81.07060	7.7
91.05481	25.4
93.07062	8.3
95.04976	3.7
95.08602	1.5
103.05469	4.6
105.07026	11.7
107.08588	3.9
109.06487	2.2
115.05465	7.9
117.07027	8.0
118.72247	1.5
119.04945	4.5
119.08578	6.6
121.06522	11.6
123.04467	1.4
128.06229	13.4
129.07030	15.6
131.04919	13.8
131.08586	3.5
137.05977	1.9
140.04724	2.7
141.06990	44.4
142.07790	32.7
143.08566	18.4
145.06474	3.6
145.10112	2.7
149.06007	18.1
152.06200	2.1
153.06993	25.6
154.07790	14.6
155.04945	3.6
155.07262	2.3
155.08554	62.9
156.09300	3.5
157.06497	6.5
157.10114	13.0
159.08014	3.0
163.07547	28.9
165.05634	2.8
165.07060	4.0
166.07750	2.0
167.08580	8.3
168.09349	37.7
169.05138	3.3
169.06517	10.1
169.10107	15.3
171.08147	3.1
171.11717	2.0
173.09645	3.3
178.07794	4.7
181.06488	3.6
182.07285	2.3
182.10901	1.9
183.08182	9.3
183.11697	100.0
184.12440	4.3
185.09622	1.5
187.07532	4.2
193.10107	7.7
196.08838	4.6
199.14761	1.6
201.09160	16.3
211.11177	66.3
215.10690	3.2
215.14375	1.7
224.15892	1.7
243.06514	2.7
243.10277	10.2
243.13806	39.2
243.17538	3.1
243.21072	3.0
250.72374	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77245	0.4
53.03931	0.8
55.01877	0.7
55.05511	0.6
55.95195	0.4
57.03439	5.8
64.99277	0.4
65.03941	0.8
67.05498	0.7
68.99785	2.1
69.03428	0.6
69.64222	2.3
70.06624	0.5
75.04485	3.0
78.67085	0.3
79.05489	0.6
81.03413	6.6
83.04955	0.5
85.02899	0.6
91.05464	1.0
93.07051	0.4
95.04971	1.0
95.08602	0.4
97.02901	0.8
98.03680	1.3
98.98432	0.6
99.04450	0.6
105.07033	0.8
107.04946	0.5
108.02094	0.5
109.02882	18.1
109.06517	0.5
111.00803	8.2
111.04448	2.0
113.05987	0.4
119.04955	0.4
123.04395	0.7
124.01594	0.4
125.02387	0.6
126.03133	16.7
127.03914	1.1
133.06522	0.4
137.05992	0.5
139.03909	0.9
141.05463	56.4
142.05791	0.4
151.03900	0.9
151.05074	0.4
154.02612	1.4
155.03372	1.1
165.05482	1.0
169.04964	100.0
170.05432	1.4
178.80743	0.4
179.07079	0.4
183.10214	0.5
211.05972	3.6
225.07608	0.5
243.06438	0.6
243.08519	4.0
261.87534	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0863
Annotation	alpha-Gardiol
Peak:m/z	Relative Intensity
50.19634	0.6
53.03923	0.7
55.01878	0.9
55.05484	1.4
57.03194	0.7
57.03437	6.8
67.05497	1.2
68.99785	2.2
71.51134	0.9
75.04474	2.8
79.05447	1.1
81.03411	7.2
81.07044	0.8
82.37440	0.7
83.04971	0.9
91.05465	1.3
95.04964	2.7
96.22398	0.6
97.02891	1.1
98.03677	1.4
109.02155	1.0
109.02883	17.6
111.00828	7.3
111.04425	1.5
117.57919	0.7
125.02419	0.9
126.03134	17.4
127.03934	1.9
139.03920	1.0
140.04617	1.1
141.05460	58.8
151.03902	1.4
154.02571	1.2
155.03416	1.8
165.05482	2.4
169.04961	100.0
170.05624	2.5
181.04976	0.8
201.05524	1.6
211.05923	5.2
228.07712	0.9
243.06561	0.7
243.08267	3.6
243.10529	1.5
243.14995	1.5
243.21112	0.8
255.74480	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0202
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	2.1
65.54945	1.0
69.29615	0.8
69.29900	9.2
75.18596	0.9
80.89689	1.0
81.95850	0.8
82.43391	0.8
94.03842	0.9
98.97608	2.6
98.98458	1.6
100.02479	1.2
101.00883	5.7
116.98595	1.8
119.01916	20.4
121.56231	0.8
131.93829	0.9
134.99846	4.7
137.02972	5.4
142.03456	1.2
148.49007	0.9
153.00951	1.8
156.96315	1.0
156.97502	5.0
157.49442	4.2
157.99516	2.8
158.49419	1.8
158.97223	5.6
158.99840	1.9
166.99223	1.1
167.95959	2.5
168.95912	1.4
168.97375	1.8
169.49390	1.5
170.00288	1.2
174.98517	1.0
176.96486	20.3
176.98282	5.2
177.00954	27.8
177.46526	7.6
177.96457	8.9
177.97975	2.1
178.01031	1.7
178.49725	3.3
179.46719	2.4
179.99243	1.3
180.46567	1.3
183.97806	1.2
185.97009	25.3
186.47043	12.1
186.96912	12.6
187.47026	1.2
188.47218	11.9
188.97350	4.9
189.47101	4.8
189.97957	2.2
190.00429	2.0
195.01991	1.2
196.94405	7.9
197.00568	2.0
197.47789	21.5
197.97842	9.6
198.47702	10.9
200.98187	2.2
201.00871	2.1
201.02489	2.1
207.94020	1.2
208.98402	3.8
209.48450	2.5
209.98280	1.8
214.95396	51.3
215.95569	1.2
216.94673	1.2
217.04060	4.2
217.94858	1.1
218.47853	1.8
218.99731	1.4
219.01990	25.2
219.03998	1.9
219.96062	2.1
220.02094	9.1
221.01755	1.3
224.98517	1.0
225.00845	1.4
225.94945	2.3
228.45348	5.5
228.95203	1.5
228.99249	1.4
229.45110	1.8
232.96616	43.3
233.96725	2.6
237.45619	13.5
237.97237	28.0
238.45496	6.7
238.95265	1.2
238.97392	1.4
239.95932	1.0
243.01892	8.1
249.46373	1.0
249.96339	1.4
255.98250	16.8
256.96597	4.0
260.98703	2.7
261.03061	100.0
262.03159	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	241.195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	5.5
57.07082	8.6
67.05503	5.9
69.07072	8.3
69.50137	1.8
69.50544	8.9
71.08614	1.4
79.05479	5.5
81.07064	5.9
83.08614	4.3
91.05473	8.4
93.03725	3.2
93.07049	6.2
95.08599	5.5
97.10070	1.2
98.20775	2.8
105.07021	10.5
107.08585	4.9
109.10130	2.4
115.05455	3.5
117.07015	36.2
119.08593	2.8
121.10162	4.3
128.06218	5.0
129.07002	19.4
131.08568	35.5
133.10149	6.6
139.67702	1.3
141.06914	2.4
142.07819	3.3
143.07533	1.2
143.08566	28.6
145.10152	11.6
147.11685	9.8
155.08557	1.5
156.09279	1.6
157.10132	18.7
159.11705	33.0
161.13272	3.7
169.10149	1.7
171.11670	20.9
173.11783	2.2
173.13274	39.4
183.11659	3.3
185.13251	35.2
187.14813	3.0
195.11638	1.2
197.13231	2.2
199.12993	2.4
199.14821	35.8
213.16287	6.2
241.04895	1.9
241.08623	3.6
241.19521	100.0
242.19827	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.087
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	10.3
57.03437	26.8
58.06569	9.3
61.02908	21.3
64.53674	5.6
69.03407	13.9
71.01347	16.5
71.37737	10.4
73.02899	19.9
81.03419	7.3
82.01430	6.8
84.08143	6.8
85.01376	6.3
85.02905	27.1
87.04449	12.8
88.24349	4.9
89.02377	8.1
97.02903	38.3
100.02493	19.7
100.04405	5.7
101.00879	5.8
101.02398	39.1
103.02438	13.2
115.03914	52.0
118.03551	7.9
119.01910	20.2
121.03484	11.6
129.01820	30.6
131.01923	8.0
133.03470	42.1
134.03682	5.2
139.04184	17.8
143.03383	19.6
144.99811	14.2
147.05023	6.9
148.04745	38.4
148.54832	10.0
151.04510	22.0
156.03433	5.7
157.01349	51.0
159.02733	6.2
161.02855	6.4
161.04398	11.6
161.05577	14.2
163.06062	5.9
168.01428	10.4
170.06126	7.3
172.99286	16.5
175.04489	8.0
187.00874	8.2
189.02269	6.2
189.03940	100.0
191.00348	14.0
196.00920	35.4
198.94029	5.9
200.02129	6.2
214.01967	16.4
228.03496	8.1
242.15767	70.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1069
Annotation	CMPF
Peak:m/z	Relative Intensity
50.26574	1.5
53.03939	4.7
55.01876	2.4
55.05510	1.6
58.09119	1.5
59.04976	5.2
67.05497	7.5
68.48747	1.5
68.58341	1.7
69.03409	3.7
69.04527	2.4
69.07062	1.8
71.01331	3.0
71.04989	8.1
71.51183	3.3
79.05492	27.9
81.03414	5.4
81.07053	5.5
83.04985	5.3
87.04446	3.1
91.05463	7.0
93.03716	2.5
93.07041	7.1
95.04952	15.1
97.02876	3.9
98.97557	1.8
99.04456	2.1
103.05468	5.2
105.03367	2.2
105.07035	2.7
107.04959	54.4
107.08593	1.6
109.02881	100.0
109.06538	8.2
111.04429	7.7
121.06496	17.2
123.04391	9.8
125.02370	1.7
127.03932	1.7
131.04897	3.8
135.04437	2.3
137.05968	3.4
139.03903	38.6
139.07544	4.5
141.05406	3.3
147.67831	1.5
149.05969	19.6
151.03902	16.0
157.05008	1.9
159.04375	1.9
163.07584	2.9
165.05490	39.4
167.07005	7.5
171.06548	3.4
172.85399	1.5
177.05472	52.2
179.08907	2.9
181.04912	3.2
195.06503	5.8
209.08090	12.1
227.75116	1.6
241.08661	3.0
241.12688	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	241.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63868	1.1
53.03936	4.0
55.01871	2.7
55.05500	1.3
59.04993	5.1
67.05502	7.0
71.01357	2.8
71.03605	3.2
71.04988	7.4
74.85087	1.1
77.03925	1.6
79.05493	21.9
81.03413	2.8
81.07061	2.6
81.95479	1.1
83.04980	5.0
87.04472	2.4
91.05478	6.1
92.13923	1.3
93.07037	6.0
95.04965	14.8
103.05450	7.7
105.03419	2.1
105.04492	1.8
105.07018	1.8
107.04958	57.4
109.02882	100.0
109.06512	8.8
110.03218	1.4
111.04461	7.4
111.08081	2.5
121.02872	1.1
121.06512	13.3
123.04412	8.6
125.05981	1.5
131.04898	4.2
135.04442	1.9
137.05997	2.0
139.03906	37.4
139.07529	5.0
141.05447	2.5
149.05975	18.7
151.03920	14.0
153.05444	1.7
157.05014	1.6
159.04373	2.8
163.07544	1.7
165.05493	33.4
165.06886	1.8
167.07066	6.7
171.06544	3.0
177.05475	53.7
179.07001	2.8
181.04922	1.8
181.08656	2.6
191.07005	2.8
195.06575	3.2
209.08134	10.1
241.08551	2.2
241.10576	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1071
Annotation	CMPF
Peak:m/z	Relative Intensity
53.03942	5.1
55.01868	3.5
55.25144	1.4
59.04995	6.4
65.03938	1.8
67.05523	8.4
69.03426	5.2
70.62352	5.1
71.01372	2.4
71.04989	8.2
79.05087	1.7
79.05502	24.5
81.03422	3.6
81.07050	5.1
83.04968	6.6
85.02888	2.0
87.04469	3.4
91.05476	7.1
93.07040	6.5
95.04968	18.0
95.05930	1.7
97.02888	1.8
99.04477	2.1
103.05472	7.1
105.03416	1.8
105.07084	2.5
107.04961	53.6
107.08562	1.9
109.02884	100.0
109.06526	10.2
111.04449	6.0
111.08092	2.7
121.06512	15.2
123.04411	11.9
125.02334	3.0
125.05848	1.6
131.04881	3.9
133.02914	2.6
135.04361	2.1
137.06007	3.2
138.37611	1.7
139.03902	40.7
139.07533	3.9
141.05463	2.7
149.02280	1.9
149.06003	21.4
151.03918	15.7
151.18214	1.4
153.07022	2.4
157.04985	4.6
159.04451	3.2
165.05478	37.3
165.08488	2.0
167.07042	6.9
170.94579	1.5
171.06526	2.6
177.05464	53.1
191.07050	3.5
195.06473	3.6
209.08128	9.3
219.32416	1.6
238.86989	1.6
241.08498	5.9
241.12408	5.7
241.21669	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0859
Annotation	Typhaphthalide
Peak:m/z	Relative Intensity
50.01604	1.4
51.02369	2.6
53.03714	1.5
53.03942	18.0
55.01871	6.9
55.05497	4.7
57.03432	1.4
57.40657	1.0
63.02364	1.3
64.85712	1.4
65.03918	4.4
66.44982	1.1
67.05506	29.4
69.03417	4.0
69.07047	1.6
69.58298	9.1
77.03911	4.5
78.04694	2.7
79.05494	73.6
80.06255	3.2
81.03415	6.4
81.07047	5.3
83.04984	12.8
83.08608	2.3
89.03914	50.0
91.05478	3.5
93.03724	1.4
93.07030	2.0
95.04961	45.3
95.05560	2.2
95.08570	2.5
96.05737	4.5
97.06571	1.2
102.62853	1.2
103.05473	6.7
105.03381	5.0
105.04504	7.1
105.07011	1.9
106.04154	2.9
107.04961	8.0
115.05435	6.8
117.03382	36.2
121.02792	1.2
121.10104	2.4
123.11665	1.9
128.06238	8.2
129.06963	6.7
131.04927	5.8
133.02841	9.2
134.03633	25.0
135.04419	47.1
139.03839	1.6
141.06979	5.6
142.07756	5.2
143.04897	4.9
143.08586	2.3
144.05676	1.6
145.02841	34.3
145.03940	1.3
145.06454	1.7
146.03676	3.4
147.04414	5.9
149.05977	1.6
152.06181	11.0
153.07007	3.2
155.04866	1.6
156.05699	6.4
157.03990	3.0
157.06525	6.5
157.10143	2.7
159.04419	7.9
161.02327	5.1
162.03128	6.6
163.03903	100.0
164.04155	2.4
165.06984	4.9
166.07811	1.8
167.07150	2.5
167.08545	10.9
169.06490	6.3
170.07251	6.3
171.04462	2.8
171.08035	2.4
171.11768	1.4
173.02336	2.6
181.06453	4.8
183.08063	3.4
184.05150	8.5
185.05974	2.9
185.09637	5.7
185.13301	2.2
187.03894	1.6
195.08058	12.1
197.05960	2.9
198.06853	5.7
199.03877	6.9
199.07532	4.6
212.04585	2.2
213.05609	1.5
213.09102	11.5
223.07591	4.0
226.06201	3.8
241.04898	2.9
241.08592	67.6
241.12321	2.1
241.19557	3.6
242.08920	1.4
257.15469	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91213	0.2
62.03245	0.2
62.92690	0.2
70.27226	0.3
70.27569	1.0
78.81932	0.3
78.86707	0.2
91.05483	0.8
108.08119	0.3
117.05726	0.5
118.06546	2.5
134.09657	0.3
136.07542	1.2
146.06003	11.2
164.07077	3.6
167.09459	0.3
178.08624	16.5
180.10106	0.5
181.07330	0.3
182.36324	0.3
183.36842	0.2
190.08565	0.5
195.44539	0.3
196.09680	9.1
207.09016	0.3
208.09634	2.3
210.07570	0.4
222.11220	7.5
224.09053	0.3
225.09930	0.8
240.12292	100.0
241.12541	1.5
241.71591	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0859
Annotation	Typhaphthalide
Peak:m/z	Relative Intensity
50.01595	2.0
51.02379	3.2
53.03948	17.1
53.06902	0.9
55.01871	6.3
55.05522	7.3
57.03431	2.3
57.07063	1.1
59.04992	1.5
63.02383	1.4
65.03931	4.0
67.05505	22.9
69.03459	4.7
69.03760	1.2
69.07058	3.7
69.80373	2.4
69.80804	3.9
71.04979	2.2
76.53617	0.9
77.03922	3.6
78.04691	2.8
79.05495	75.2
80.05829	1.0
80.06266	2.7
81.03425	7.0
81.07044	6.0
81.38867	1.0
83.04980	18.4
83.08616	1.7
85.06541	1.2
87.04472	1.2
89.03919	44.8
91.05489	4.8
91.11330	1.0
93.03761	2.1
93.07018	4.6
95.04967	41.0
95.08601	3.0
96.05727	4.4
97.06533	2.8
98.20844	1.4
103.01978	1.1
103.05470	5.5
105.03378	4.1
105.04488	6.5
105.07022	2.0
106.04191	3.1
107.04964	9.5
107.08608	1.1
109.02866	2.4
109.06523	2.3
111.04429	3.3
111.08097	1.2
115.05450	4.3
117.03383	35.3
117.06999	2.2
118.04223	0.9
119.04909	1.5
119.08563	1.7
121.06520	2.3
121.10117	2.1
123.04435	3.0
124.58447	1.0
124.59456	1.1
125.05991	1.8
128.06236	6.9
129.06976	6.0
131.04947	6.3
131.08574	1.9
133.02820	8.2
134.03639	26.9
135.04416	48.6
135.11682	2.4
139.03882	4.0
141.07007	5.8
142.07785	6.1
143.04918	4.7
143.08522	1.9
144.05661	1.1
145.02849	35.6
145.06482	1.5
145.10129	1.7
146.03600	1.6
147.04413	5.0
149.05971	1.0
151.03857	1.4
152.06207	9.8
153.05836	1.2
153.06924	5.2
155.04883	2.6
155.08516	1.7
156.05714	4.7
156.09352	1.1
157.04028	1.9
157.06468	6.0
157.10121	3.7
159.04442	7.8
161.02345	4.4
162.03087	6.1
163.03906	100.0
164.04257	1.1
165.05762	1.1
165.06992	5.5
167.08568	11.4
169.06448	3.6
170.07295	6.1
171.04410	2.9
171.08032	3.3
173.02370	2.5
177.05490	1.9
177.06998	1.8
181.06453	3.6
183.04485	2.0
183.08057	1.3
184.05214	11.0
185.02280	1.4
185.05995	4.5
185.09602	5.4
186.05533	2.1
187.03951	1.5
188.08145	1.1
195.06462	1.1
195.08070	12.9
197.06029	3.3
198.06776	5.7
199.03938	5.8
199.07542	4.4
199.09224	1.1
199.14851	1.5
209.08060	2.4
212.04652	7.1
213.05518	2.0
213.09073	10.7
223.07553	3.6
223.13249	5.1
226.06287	4.4
241.08614	70.1
241.12440	3.0
241.14322	3.0
241.19479	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	240.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13978	0.6
65.03934	2.0
65.61403	0.5
70.73000	0.9
70.73338	0.8
79.05477	0.9
80.04994	0.8
85.02875	0.7
89.63358	0.6
91.05482	11.7
92.05003	3.6
93.05780	0.8
93.06993	0.5
94.06576	0.6
95.04987	1.1
97.18890	0.5
105.03403	0.9
105.07027	0.5
106.06533	1.3
108.08109	1.4
110.06089	1.0
116.04968	2.8
117.05762	7.6
118.06541	28.1
120.04466	2.8
122.06058	0.6
123.04475	0.7
124.07603	1.2
134.06039	2.3
136.07541	3.3
137.05956	0.7
138.05562	0.7
144.04445	17.7
146.06003	73.4
147.06374	1.1
152.07080	1.0
162.05502	11.7
164.07065	11.9
165.05443	1.8
165.07600	0.5
166.05968	3.9
166.08659	2.0
172.03938	3.7
176.07063	17.9
178.08629	100.0
179.08978	1.7
180.06555	1.3
181.07358	0.5
190.04971	4.5
194.08183	1.2
196.09683	42.0
197.10010	0.5
204.06558	11.1
208.09671	1.2
222.07610	32.4
222.11035	1.0
223.07793	0.7
240.08640	29.7
240.12297	10.1
240.14789	1.1
241.08894	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1642
Annotation	5,8-Dihydroxy-14-nor-7-marasmanone
Peak:m/z	Relative Intensity
53.03941	10.2
55.01861	9.6
55.05274	2.8
55.05514	36.2
57.01545	2.0
57.03426	13.0
57.07074	9.0
63.62591	2.7
65.03938	3.7
67.05141	3.0
67.05505	58.9
69.03436	13.6
69.07072	44.7
70.80370	6.4
71.04980	8.2
71.08639	3.8
79.05494	61.7
81.03421	100.0
81.07060	48.6
81.70208	1.8
83.04984	45.0
83.08631	13.1
85.02921	2.6
85.06540	6.8
85.10209	2.5
89.06033	9.1
91.05488	38.4
93.07047	44.2
95.04967	22.3
95.08604	35.0
97.06551	10.4
97.10155	5.6
99.04488	3.1
99.08098	3.2
105.07046	22.4
107.04957	4.8
107.08596	13.3
109.06519	9.0
109.10156	16.8
110.81655	1.9
111.08101	5.0
115.05460	3.4
117.07014	9.7
119.08588	31.0
121.06491	19.0
121.10162	10.2
123.08059	9.4
123.11752	4.4
128.06186	3.0
129.06975	7.6
131.05049	2.0
131.08557	9.2
131.09422	2.0
133.02872	2.9
133.06517	3.4
133.10124	15.5
135.08063	7.8
135.11697	7.3
137.09602	9.7
141.06995	7.3
143.08560	9.6
145.10112	2.8
147.08002	4.7
147.11719	5.5
148.48979	2.2
149.13286	4.7
153.06979	6.6
155.08575	10.0
156.25510	2.2
157.10136	5.6
159.11748	6.1
161.13287	4.2
165.07011	16.5
165.09132	5.0
167.05833	2.1
167.08737	2.2
168.05766	4.1
169.10054	2.6
169.83870	2.2
173.02315	5.6
175.11046	2.6
175.14810	12.8
181.06456	2.5
183.08087	7.8
183.11607	4.4
185.13234	17.3
193.06505	5.8
193.10167	4.1
193.15874	5.9
197.13235	2.6
203.14389	5.9
211.07559	10.5
211.11258	3.2
216.05417	2.7
221.06078	3.6
221.15385	86.3
221.18738	3.8
222.15617	2.5
239.06990	32.9
239.08687	3.8
239.10742	6.6
239.12663	3.5
239.16278	26.2
240.07756	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	239.2006
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
52.23397	3.2
52.87636	3.4
55.05515	36.5
57.03430	3.5
57.07077	25.3
59.05002	24.1
61.91415	3.6
67.05498	29.7
69.07063	41.9
71.04973	11.1
71.51523	3.4
71.51885	4.7
72.84351	3.1
74.51726	3.3
78.32924	3.5
79.05480	12.4
81.03388	3.1
81.06593	6.5
81.07054	93.6
83.04945	3.8
83.08624	18.9
85.06544	9.1
89.06018	6.1
91.05476	13.6
93.07030	28.5
95.04942	4.2
95.08006	5.1
95.08606	100.0
97.06519	11.9
97.10170	16.7
99.08082	6.0
105.07027	19.7
107.08599	45.8
109.06494	7.2
109.10156	47.2
109.21169	3.3
111.08091	10.6
111.11705	12.5
115.07591	5.6
118.62109	3.5
119.08600	30.5
121.10136	33.6
123.08086	7.3
123.11692	41.3
125.09605	13.4
127.11131	5.4
133.10130	22.9
133.61847	3.2
135.11707	36.1
137.05917	3.6
137.09631	5.7
137.13254	82.8
139.11174	21.6
143.10716	8.0
147.11703	29.9
149.13235	12.9
151.07608	4.0
151.11180	7.3
151.14783	4.2
153.12762	6.2
161.13264	11.0
163.14859	28.0
165.05544	7.9
165.06979	7.6
165.12737	7.7
166.05638	3.4
168.05635	6.0
175.14841	8.3
177.16408	7.7
193.84949	3.6
196.05157	5.2
197.13347	3.9
203.17969	56.4
211.07516	13.0
221.19005	51.5
239.07103	21.9
239.10628	14.1
239.20042	35.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2369
Annotation	Bombykol
Peak:m/z	Relative Intensity
53.03938	1.6
55.05510	23.0
56.32541	0.6
57.03440	1.2
57.07074	100.0
58.07422	0.7
58.39716	0.6
65.03941	1.6
67.05504	53.3
69.07066	25.4
70.84428	0.6
71.04996	1.8
71.08630	61.4
71.52541	0.9
72.04514	5.0
73.04843	1.0
75.29699	0.6
79.05493	5.3
81.03432	1.2
81.07053	54.7
83.08620	26.5
83.09117	1.0
85.06556	3.4
85.10181	30.7
88.02227	3.0
89.06038	2.5
91.05493	1.1
93.07042	3.9
95.08605	73.4
96.08957	0.7
97.10162	13.2
99.04470	1.3
99.08113	2.5
99.11762	1.0
105.07079	1.3
107.08591	1.4
109.06564	0.8
109.10152	28.0
111.11749	1.7
115.73581	0.7
119.08599	1.2
123.11705	9.5
125.13301	0.9
137.13243	1.4
141.06952	1.0
143.08565	1.0
153.06915	1.0
154.07823	0.7
155.08516	1.5
157.10150	1.2
159.23149	0.7
162.87288	0.7
168.09381	0.7
169.10155	2.0
171.11696	1.6
175.66592	0.6
182.06435	0.8
183.06773	1.9
183.11777	2.6
188.17320	0.8
191.36435	0.7
197.13330	2.5
221.15417	0.8
239.09015	1.2
239.12811	1.8
239.17978	8.4
239.23703	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	238.1071
Annotation	Fumariflorine
Peak:m/z	Relative Intensity
53.03941	4.8
55.01874	5.6
55.81751	3.3
56.05026	2.9
58.06586	5.8
67.05500	7.5
68.05029	19.2
69.03410	5.3
70.06583	4.7
71.28962	6.7
72.04497	10.3
77.03926	3.7
79.05497	25.1
80.05001	3.5
81.03417	5.6
81.07037	11.7
82.06554	3.6
84.04498	3.7
85.02889	5.6
91.05482	28.5
93.07055	17.2
94.06553	14.7
95.04974	17.2
95.08572	4.8
96.04499	25.2
96.05095	4.3
96.08132	9.1
97.02871	12.8
98.06066	3.8
101.44035	2.9
103.05474	5.3
105.03365	4.7
105.07051	18.8
106.06547	6.6
107.04957	100.0
107.08598	4.4
108.08114	7.9
109.02860	9.9
109.06506	5.7
112.03957	4.0
114.05527	87.3
117.06982	3.8
118.06559	4.5
119.04951	6.3
119.08541	8.3
120.08068	7.4
121.06496	19.2
122.06023	32.3
122.09641	3.9
123.04405	9.5
123.08096	5.1
124.03939	7.8
124.07555	10.4
125.02350	3.6
125.05999	4.6
129.06993	9.7
130.06506	4.5
131.04927	5.1
131.08571	11.2
132.04425	5.3
132.08078	8.0
132.49084	3.9
133.02875	3.3
133.06503	10.1
135.04372	7.8
135.07982	3.3
137.05925	3.8
146.05984	6.2
146.09618	12.4
147.04436	7.2
147.08022	8.8
148.07593	26.1
148.11177	9.7
149.05948	14.6
149.08487	4.0
150.05511	40.4
151.03935	15.5
152.07013	11.1
157.06378	5.4
158.09651	4.9
159.08058	3.5
161.05927	6.8
164.10696	4.4
165.05472	4.7
166.08649	4.4
168.06563	12.3
174.09120	23.6
175.03908	10.5
175.07571	10.8
176.07027	12.9
176.10648	9.8
177.05447	6.2
177.09062	3.6
178.08583	8.0
192.10217	22.7
193.05023	3.4
194.08165	10.2
194.11816	15.3
202.08670	17.5
203.07028	7.5
210.11250	9.8
220.09691	38.5
229.00134	4.0
238.08456	5.3
238.10748	74.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1848
Annotation	Sirenin
Peak:m/z	Relative Intensity
55.01864	3.6
55.05510	14.8
57.03428	3.7
57.07076	5.6
59.04994	8.9
65.03947	2.2
67.05505	22.1
67.97248	2.3
69.03433	16.0
69.07072	14.8
71.04992	28.7
71.51638	4.1
79.05496	23.8
79.27058	2.4
81.07059	100.0
83.04978	10.2
83.08616	7.9
85.02931	2.2
85.06540	6.8
91.05466	11.3
93.07050	30.6
95.04957	7.9
95.08612	26.3
97.06552	12.6
97.10164	5.9
98.97583	7.2
99.07500	3.8
99.08096	44.4
102.44165	2.2
103.05497	3.5
105.07030	29.2
107.08616	22.9
109.06561	16.3
109.10158	33.1
111.08085	5.9
117.07024	3.7
119.08564	15.1
121.06528	3.9
121.10124	16.1
123.08068	5.2
123.11697	13.2
125.09634	8.6
127.07549	24.0
127.11198	22.4
131.04881	2.8
131.08575	9.2
133.10138	39.1
135.08086	3.6
135.11688	12.8
137.09642	5.3
137.13255	2.8
139.11195	7.0
143.10669	5.5
145.10141	17.1
147.11687	14.9
149.09624	3.8
149.13261	9.8
151.11189	44.3
155.10683	8.1
158.99712	2.9
159.07961	2.0
159.11732	9.9
161.13271	10.6
163.07538	4.4
163.11211	6.1
165.12746	4.0
169.12202	4.4
173.13309	2.2
175.07582	3.5
177.00632	2.4
177.12724	3.5
177.16435	3.7
191.06990	7.4
191.17966	4.6
194.07242	2.7
201.16415	9.4
219.10196	3.8
219.17429	17.4
225.85168	2.2
237.11122	2.4
237.18535	22.1
237.22142	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	237.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68314	0.7
53.03929	1.1
55.01869	1.2
55.05517	1.0
55.87387	0.8
57.03437	8.0
67.05505	1.2
69.07065	1.2
69.80809	2.7
71.04987	1.1
75.04475	2.7
78.57025	0.7
79.05486	2.7
81.07059	1.5
82.28626	0.9
86.58134	0.8
91.05466	2.8
93.07048	2.8
95.08613	1.7
102.04666	5.7
103.05459	32.9
105.07030	8.4
107.04948	1.7
107.08598	2.6
109.10144	1.0
114.05540	0.9
115.05442	1.8
117.07005	1.5
119.08570	1.0
121.06442	1.4
130.04146	16.3
131.04926	73.7
131.08473	1.2
133.06516	5.4
135.08063	1.0
145.06450	1.6
146.06003	1.0
147.04422	3.1
147.08035	1.1
148.05186	100.0
149.05617	1.6
151.11182	6.0
157.06526	1.0
159.11702	1.0
160.05251	1.5
161.05971	14.3
162.06776	8.8
163.07539	57.2
175.07536	3.0
178.08733	1.0
201.09175	1.9
204.07788	1.4
219.10309	1.0
219.17348	1.3
237.11340	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1848
Annotation	Farnesoic acid
Peak:m/z	Relative Intensity
53.03944	1.0
55.01858	1.8
55.05511	8.0
57.07071	3.9
57.13207	0.7
64.07635	0.8
65.03934	2.0
67.05504	100.0
69.03424	1.2
69.07069	8.1
70.11575	3.8
71.04981	2.6
71.08643	1.5
78.77759	0.8
79.05491	23.5
81.03416	0.9
81.07056	76.7
83.04971	3.3
83.08624	4.8
85.06528	3.2
86.09715	0.9
89.06423	0.8
91.05481	7.5
93.07041	28.6
95.04973	4.2
95.08606	43.2
97.06533	3.6
97.10145	1.4
99.08070	1.3
101.06007	1.5
104.10744	1.0
105.07051	4.5
107.08586	17.0
109.06490	2.4
109.10153	35.7
111.04445	1.1
117.07005	3.2
118.06501	1.0
119.08575	4.3
121.06511	1.7
121.10148	28.9
123.08043	2.4
123.10838	1.6
123.11705	23.2
125.09641	0.9
131.08575	7.0
133.10130	3.8
135.08075	4.4
135.11694	16.0
137.09575	1.7
137.13225	2.2
139.11195	2.3
141.12630	0.8
145.10143	5.8
147.11664	0.8
149.02325	3.6
149.09645	6.6
149.13243	3.4
151.11224	1.1
153.09116	1.3
159.11667	3.9
161.13152	0.9
163.11208	8.3
167.10706	3.2
173.13307	1.8
175.14838	1.6
177.12779	2.0
177.16396	5.8
181.12297	4.2
191.06993	1.2
191.14301	1.1
191.17912	5.4
193.04979	2.4
193.10135	0.8
195.11847	1.2
195.13721	2.0
201.16359	5.3
209.13174	0.8
219.14082	1.0
219.17459	7.3
222.72404	0.8
237.05542	1.3
237.07617	3.5
237.14676	1.8
237.16725	2.2
237.18497	49.7
237.21889	4.7
238.18439	0.9
244.66521	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.2054
Annotation	Nor-ent-labdan-7-en-aldehyde
Peak:m/z	Relative Intensity
53.03937	3.4
53.99336	1.2
55.01863	3.5
55.05275	1.7
55.05512	22.7
56.96565	2.7
57.03422	3.2
57.06798	2.4
57.07070	44.5
59.04978	3.1
65.03928	2.6
67.05499	78.9
69.03407	4.4
69.06734	2.1
69.07064	25.6
69.42480	6.6
69.42888	4.3
71.05002	6.3
71.08624	5.2
73.06551	2.0
77.03907	1.5
79.05486	44.4
81.03417	3.1
81.07052	100.0
83.04974	7.3
83.08607	15.6
85.06534	11.5
85.10190	2.9
91.05480	41.4
93.07043	56.0
95.04968	9.7
95.08602	99.8
96.07104	1.1
97.05932	1.8
97.06524	22.3
97.10168	6.4
99.04427	1.6
99.08091	9.0
105.07024	42.8
107.07890	2.5
107.08587	43.5
108.08939	1.3
109.06506	9.1
109.10148	48.1
111.04414	2.1
111.08050	7.1
111.11700	1.5
113.09619	7.0
115.05444	3.2
117.06986	5.1
119.08575	69.9
121.02865	1.7
121.06496	2.8
121.10136	52.0
123.04413	3.8
123.08046	7.6
123.11691	18.2
125.09623	3.3
128.06212	3.2
129.07001	2.7
131.08531	7.5
133.10123	50.5
135.08073	10.9
135.11690	39.5
137.05933	1.4
137.09618	11.0
137.13245	10.8
139.03900	2.5
139.11157	6.7
142.07747	1.6
143.08524	5.0
144.09308	1.4
145.06503	1.6
145.10083	8.1
146.07245	1.8
147.08043	4.6
147.11668	36.2
149.02318	4.8
149.09579	3.8
149.13251	13.2
151.11121	9.4
151.14767	6.6
153.12779	3.5
157.10141	4.4
159.11685	6.9
161.09601	12.7
161.13228	21.9
163.14839	4.2
165.12787	3.4
170.10854	1.7
171.11725	4.3
173.13226	9.6
175.07512	2.1
175.11160	5.9
175.14827	22.1
177.12750	3.9
177.16345	5.0
179.10678	18.4
179.14357	1.6
187.11122	1.5
189.04280	2.1
189.12706	2.2
189.16354	13.4
191.06970	2.7
191.14276	4.8
191.17955	7.3
193.15826	2.3
199.14822	5.7
217.15933	43.3
217.19476	65.4
231.09013	3.1
235.07564	3.3
235.09563	3.0
235.13181	3.1
235.16895	97.0
235.20547	87.5
236.17188	3.1
236.20972	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.3
55.05516	1.4
55.51450	0.2
57.03439	1.6
63.15663	0.2
70.59187	0.8
73.24982	0.3
79.05483	0.9
81.07051	4.1
91.05483	0.3
93.07020	0.5
94.04053	1.6
98.97568	0.3
99.08110	0.3
101.53880	0.3
103.05450	0.3
112.05118	0.4
119.03557	2.9
120.05736	0.3
120.08137	0.4
122.21570	0.3
129.06931	0.3
131.04893	0.4
131.08572	0.4
136.06180	100.0
137.04597	2.2
137.06598	0.6
175.07523	0.5
190.10899	1.4
233.63710	0.5
234.13493	62.5
235.09648	0.3
235.13701	1.2
235.16829	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1692
Annotation	Macrophyllic acid A
Peak:m/z	Relative Intensity
53.03941	1.6
54.99186	1.1
55.01872	2.4
55.05511	9.7
56.96569	1.5
57.07075	19.0
59.04984	2.5
60.73523	1.1
67.05508	23.8
67.69953	1.0
69.03421	3.0
69.07068	11.1
69.67152	1.0
70.95766	1.9
70.96098	1.2
71.04985	3.0
71.08638	1.1
72.40476	1.0
78.31123	1.1
79.05492	15.7
81.03426	1.5
81.07058	30.0
83.04969	2.5
83.08615	7.8
85.06548	5.2
90.21521	0.9
91.05487	21.9
93.07047	18.7
95.04968	10.0
95.08611	31.8
97.06518	5.0
97.10161	1.0
99.08092	2.1
105.05891	1.4
105.07035	28.2
107.04947	3.0
107.07878	2.2
107.08591	32.9
109.06513	8.4
109.10162	16.6
111.08072	4.8
114.90767	1.0
117.07030	7.8
119.08586	85.1
121.06519	2.0
121.10138	20.7
123.08049	5.0
123.11696	6.8
125.09663	1.4
128.06198	2.6
129.07018	3.0
131.08577	15.7
133.06496	2.2
133.10132	48.2
135.08064	17.8
135.11674	12.9
137.09625	6.7
137.13269	1.4
139.11108	1.4
141.07079	1.0
142.07776	4.2
143.08562	8.8
145.06474	2.0
145.10124	13.3
146.07251	2.9
147.08109	5.0
147.11688	21.1
148.19020	1.2
149.02313	1.2
149.09657	2.9
149.13231	5.2
151.07597	1.7
151.11200	8.1
151.14841	2.2
153.12819	1.2
156.09312	3.2
157.08006	1.0
157.10139	13.5
158.10957	2.5
159.11705	14.5
161.09627	28.8
161.13243	8.1
169.10121	2.2
170.10939	1.9
171.11684	7.2
172.77803	1.3
173.13280	20.8
175.11200	12.0
175.14819	22.2
176.11981	1.4
177.12773	6.3
179.10677	17.2
184.12456	2.4
187.11188	3.8
187.14864	4.7
189.12740	3.0
189.16376	19.0
189.17952	2.0
191.14345	2.1
191.18004	1.4
193.15868	1.7
199.14810	12.4
217.15889	90.0
217.19214	13.9
218.16164	2.4
231.09236	1.3
235.16937	100.0
235.20432	19.3
236.17239	2.9
236.20753	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1535
Annotation	CHEBI:69963
Peak:m/z	Relative Intensity
53.03945	2.9
55.01851	2.3
55.05518	6.3
57.07063	5.7
59.04982	2.6
65.03952	1.4
67.05505	11.2
69.03430	21.1
69.07055	4.4
70.96301	2.2
70.96632	1.8
71.04972	5.5
79.05492	36.8
81.03403	1.9
81.07049	14.4
83.04958	2.6
83.08624	5.7
85.06543	4.7
88.07590	2.3
89.24473	1.2
91.05481	23.6
93.07043	16.7
95.04376	2.2
95.04965	30.5
95.08614	8.9
97.06469	2.9
102.87661	1.2
103.05460	2.5
105.07032	29.9
107.04950	31.4
107.08588	24.7
107.73091	1.1
109.06508	7.6
109.10151	8.9
111.04425	1.8
111.08095	4.6
113.05997	3.8
115.05441	6.9
116.06284	1.8
117.07001	14.6
119.08578	100.0
121.06496	7.4
121.10141	16.8
123.08059	3.7
123.11707	4.4
125.09647	2.7
127.74813	1.2
128.06181	3.0
129.07013	5.4
130.07796	2.7
131.04921	3.1
131.08553	23.8
133.06474	8.0
133.10106	15.9
135.08047	5.1
135.11693	4.1
137.09602	8.5
141.06943	2.5
142.07753	3.2
143.04880	1.4
143.08553	5.3
144.05693	4.6
144.09282	1.9
145.06464	5.4
145.10115	29.4
146.10866	2.0
147.08041	23.5
147.11697	13.2
149.09618	14.6
149.13254	3.0
155.08525	5.7
156.09343	3.0
157.10136	12.9
158.10933	2.2
159.08069	7.9
159.11676	7.4
161.05890	2.2
161.09639	2.8
161.13237	4.5
163.11189	5.6
163.14859	1.6
167.08522	2.5
169.06642	1.2
169.10130	2.8
171.11665	8.6
172.05182	3.5
173.05995	3.1
173.09601	6.1
173.13240	12.5
174.06602	1.6
174.10304	1.5
175.07645	1.5
175.11197	13.8
177.05429	1.6
177.09087	4.1
182.10883	7.4
187.07520	3.9
187.11194	3.0
187.14824	13.5
189.09108	2.0
189.12740	6.3
190.06204	2.8
191.03374	11.0
191.14287	36.4
197.13290	10.3
200.04741	1.5
200.12021	1.7
201.05428	1.9
205.04901	1.4
205.06728	2.1
205.08499	6.8
215.10895	2.0
215.14282	16.0
215.17894	2.8
233.04373	2.2
233.08000	17.4
233.11601	3.4
233.15359	86.6
233.19070	5.2
233.23006	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	233.1535
Annotation	Hypacrone
Peak:m/z	Relative Intensity
53.03925	2.7
55.05511	4.0
57.07066	2.4
67.05499	4.1
69.03424	4.8
69.07043	3.0
69.72855	1.7
69.73283	3.6
70.06550	0.8
71.04968	1.0
77.03928	1.0
79.05490	46.5
81.03405	1.0
81.07039	5.3
83.04957	1.3
83.08613	4.7
85.02882	0.9
85.06529	2.9
85.43504	0.8
91.05474	10.1
93.07041	7.9
95.04940	5.0
95.08614	3.5
97.06516	1.5
103.05455	0.8
105.07023	13.9
105.81156	0.8
107.04949	45.0
107.08582	11.1
109.06486	2.9
109.10145	1.7
111.08105	4.9
113.05978	1.1
115.05455	1.4
117.07023	5.3
119.08578	12.6
121.06484	2.8
121.10146	5.8
123.08061	0.8
125.09653	1.3
128.06204	0.9
128.72865	0.7
129.07028	1.6
130.07755	1.4
131.08562	11.7
133.06483	1.2
133.10136	7.9
135.08023	2.8
135.11655	1.3
137.09602	3.6
142.07784	0.9
143.08534	2.4
145.06479	2.0
145.10109	11.1
146.10902	0.9
147.08044	12.6
147.11671	11.5
149.09619	8.2
149.13246	2.8
155.45168	0.7
156.09344	0.8
157.10126	5.8
158.10887	2.4
159.08018	1.6
159.11697	2.2
160.08858	1.1
161.05946	2.0
163.11165	3.2
165.22470	0.7
169.10112	1.1
171.11586	1.5
173.09578	2.2
173.13261	8.1
175.11185	15.5
175.12604	1.4
177.05411	0.9
182.10712	0.9
187.14760	4.0
189.09084	1.6
189.12735	2.7
191.03352	1.6
191.14296	56.2
192.14595	1.3
196.74712	0.7
197.13249	2.6
205.08484	1.0
215.07007	1.5
215.14330	6.0
218.02147	0.8
233.04439	1.4
233.08124	2.9
233.15352	100.0
233.19089	3.2
234.15662	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1534
Annotation	CHEBI:69963
Peak:m/z	Relative Intensity
53.03943	3.1
55.01869	2.4
55.05510	8.9
55.20914	1.6
57.07058	4.0
59.58689	1.6
65.03935	2.4
67.05502	26.8
69.03417	2.5
69.07069	8.5
71.04978	2.0
73.02935	2.1
79.05498	23.7
81.07054	38.1
83.04968	1.8
83.08608	5.5
85.06546	2.5
91.05489	25.3
93.07044	33.2
94.55434	1.6
95.04968	6.5
95.08609	33.2
97.06540	3.8
103.05460	1.7
105.07031	38.2
107.04942	8.6
107.08585	21.3
109.06500	6.7
109.10146	13.3
111.08073	4.4
115.05423	1.9
116.06296	2.0
117.07027	11.0
119.08569	25.3
121.06488	13.2
121.10120	15.6
123.08091	3.4
123.11703	2.4
125.06042	3.1
129.06973	3.3
130.07747	2.1
131.08571	43.5
133.06465	3.6
133.10141	14.7
135.08081	4.1
135.11708	9.6
137.06006	3.0
137.09583	2.3
139.07576	3.0
143.08557	3.9
145.06453	3.3
145.10121	34.3
147.08066	4.1
147.11694	13.1
149.06027	2.6
149.09637	4.5
149.13266	4.1
151.07538	3.1
155.08530	3.8
156.09335	2.1
157.10097	3.7
159.08061	5.7
159.11694	17.2
161.13254	12.2
163.07518	4.7
165.09161	1.9
165.94656	2.0
169.10130	3.8
171.11639	3.8
173.09612	7.9
173.13275	6.2
175.11188	2.3
177.05458	3.0
177.09160	7.9
178.06313	4.1
182.10880	2.3
187.11195	5.7
187.14818	100.0
188.15211	2.1
191.07114	1.9
191.10616	4.1
191.14345	5.7
197.13313	8.6
205.15936	6.0
215.14330	24.0
215.17955	7.6
218.02110	1.9
233.07967	3.0
233.11671	3.5
233.15367	73.0
233.18930	23.5
233.22520	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	233.1536
Annotation	Hypacrone
Peak:m/z	Relative Intensity
53.03935	2.6
55.01871	1.0
55.05508	3.4
57.07063	1.0
67.05496	2.4
69.03441	5.7
69.07056	2.2
71.04965	1.0
71.36112	1.0
74.70615	0.5
79.05494	53.2
80.05825	1.0
80.72027	0.5
81.07061	3.8
83.04987	1.5
83.08623	4.5
91.05479	5.5
93.07042	4.6
95.04954	4.6
95.08596	1.9
97.06532	1.0
105.04482	0.8
105.07034	8.1
107.00457	0.6
107.04956	58.3
107.08594	10.5
109.06537	1.5
109.10134	0.9
111.04365	0.6
111.08076	5.7
115.05427	1.3
117.07020	3.0
119.08577	6.7
121.06500	2.3
121.10157	6.2
122.46690	0.6
123.08098	1.3
123.11633	0.9
125.09613	3.5
128.06194	0.7
129.07037	1.1
131.08562	5.9
133.06454	1.0
133.10112	6.7
135.08034	2.7
135.11713	1.4
140.70761	0.5
141.06940	0.5
142.07799	1.0
143.08566	1.4
145.06441	1.4
145.10129	4.5
147.11699	9.6
149.09622	8.4
149.13226	3.8
150.10350	0.9
153.09087	0.9
155.08527	0.7
157.10146	3.2
158.10890	1.0
159.08022	1.2
159.11664	1.9
160.05183	0.8
160.08818	1.6
161.05925	1.2
171.11693	0.9
173.09628	1.1
173.13297	4.4
175.11205	8.7
187.07596	1.2
187.11217	1.2
187.14870	1.7
189.09097	1.0
191.03316	1.4
191.14308	69.2
192.14687	1.4
197.13303	1.5
201.77258	0.7
215.07002	1.4
215.14314	2.6
215.17906	1.3
233.04413	1.4
233.08080	1.5
233.11600	3.0
233.15366	100.0
233.19115	3.1
234.15675	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.3
55.01839	1.2
55.05495	2.6
56.05015	1.6
56.96563	36.5
57.03432	21.6
59.04970	1.2
61.02903	2.8
67.05467	2.3
68.99758	1.5
69.03415	4.4
69.38410	1.2
69.38772	8.8
70.06581	1.4
70.98094	2.1
71.04985	9.3
72.08134	1.8
73.02905	5.2
73.06545	2.6
74.06073	4.9
74.97576	1.1
75.04480	8.0
79.05472	1.1
81.02934	1.5
81.03413	29.7
81.07053	1.6
83.04949	1.4
83.06136	0.9
84.08131	1.6
84.96024	1.9
85.02899	100.0
85.06548	5.4
86.03223	1.0
86.09686	3.1
88.99148	1.6
91.05457	1.8
95.04957	3.7
97.02872	5.7
97.99152	1.5
98.03649	6.4
98.97585	16.5
99.04453	24.9
100.99140	5.8
101.00854	2.5
101.02375	2.0
103.00625	2.5
103.02457	1.7
105.02193	1.7
109.02874	9.6
110.97549	2.7
112.99105	1.2
113.05995	63.5
115.02393	1.0
115.03891	1.5
116.98615	16.1
117.01981	1.0
117.05420	1.5
119.00189	4.6
119.01900	14.0
119.04883	1.1
120.01974	2.3
121.01665	8.7
121.06516	0.9
123.03173	1.2
123.04432	1.6
127.00632	1.3
127.03908	55.3
128.98589	5.7
131.00194	1.2
131.01865	2.6
133.01695	1.3
133.03482	5.4
133.10167	1.1
134.99649	10.6
135.03279	1.4
137.01157	1.0
137.02910	2.3
137.05965	2.8
139.02657	3.2
141.05450	40.8
141.06564	2.1
143.01868	3.3
144.98087	2.9
145.01691	3.1
145.03426	3.2
145.04898	1.1
145.10046	1.1
146.99669	6.0
147.01411	1.4
147.03214	2.9
147.04288	1.3
149.01195	2.5
149.02916	1.5
150.96893	1.2
151.04526	3.1
152.04990	1.0
153.00661	1.3
153.05458	1.3
154.74838	0.9
155.04617	1.9
157.03517	2.1
158.99698	1.4
159.06516	94.6
159.11668	1.6
161.01233	3.2
161.02927	13.3
162.99135	4.4
163.02725	8.6
163.04012	1.2
165.00749	6.5
165.04254	2.5
169.99191	1.1
172.97581	1.9
173.01050	1.7
173.02979	3.0
173.04674	1.2
173.06091	1.1
174.99223	1.3
175.05994	10.5
177.00771	1.6
179.02243	1.8
181.03726	2.2
182.02359	1.4
183.01741	3.2
183.05092	1.6
183.06526	10.2
185.02902	1.9
187.00885	2.3
187.02655	3.2
187.04521	2.5
189.00694	1.8
190.98648	9.9
191.00259	1.4
191.00540	1.6
191.02209	10.9
191.03955	5.4
191.05565	1.3
197.03030	1.0
201.05864	1.5
201.07584	2.4
205.01878	1.8
205.03658	2.3
207.01768	8.1
208.99690	13.0
209.03172	3.0
218.98077	1.7
219.01709	1.6
221.04968	1.2
227.00684	2.3
233.03165	2.6
233.05191	6.5
233.10185	24.6
233.15274	2.7
233.18820	1.3
237.02959	1.3
250.51631	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0349
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07211	0.7
55.01854	1.1
56.96562	5.1
57.03432	0.9
58.99854	1.3
61.02918	2.1
68.98300	0.9
69.03429	1.0
69.41917	1.4
69.42324	5.9
70.06576	1.2
70.99873	0.8
72.08162	0.7
72.88329	0.7
73.01447	0.8
73.02895	0.9
77.00887	0.9
81.03398	0.7
82.99828	1.7
84.08131	1.2
84.96015	0.9
85.01400	3.4
85.02884	2.3
86.09689	1.4
86.99313	1.7
88.03982	1.0
89.00828	0.7
91.02467	1.1
97.02881	1.1
98.97015	0.7
98.97583	4.5
101.00873	21.3
103.00636	5.6
103.02444	18.6
104.10738	1.1
105.00350	2.3
110.97532	0.9
113.00867	1.3
115.02431	1.5
116.07057	1.1
116.98597	3.5
117.04017	6.5
119.01920	81.3
120.01969	2.7
121.01668	19.6
121.02518	1.7
121.03474	12.7
122.24586	0.7
127.02386	1.8
128.98595	1.8
129.00316	3.3
129.10236	1.0
131.01906	7.3
133.01640	1.3
133.03452	8.3
134.99706	1.1
135.03218	2.3
135.05063	8.4
137.02942	25.0
139.02664	5.8
141.03920	0.8
142.03491	2.6
143.00111	1.5
143.01892	6.0
144.03185	0.8
145.03464	40.6
145.10196	0.8
146.99568	2.8
147.01384	22.9
149.02954	2.5
149.54752	1.1
151.04507	3.1
153.04207	0.9
155.01866	1.8
157.03447	7.1
158.99562	1.0
159.01437	0.9
159.05020	1.0
161.01346	2.0
161.02960	27.6
162.02885	0.9
163.04579	26.7
164.04404	0.9
165.02460	10.0
167.01895	1.5
168.05051	1.9
169.03520	0.7
170.99803	1.2
171.01367	15.6
171.07831	0.9
173.03052	3.4
175.04526	0.8
179.02505	0.7
179.04030	5.7
180.05051	1.8
183.03442	1.8
184.04555	1.9
185.02962	13.0
185.13248	1.0
186.06073	1.6
187.04515	4.3
189.02432	100.0
190.02534	2.4
191.04021	1.9
193.00153	0.9
199.00865	1.5
199.04480	1.0
202.95703	0.8
203.03976	8.7
205.05472	1.3
207.01790	1.7
207.03503	23.1
208.04584	9.7
212.04059	6.4
217.00122	3.8
217.01900	0.9
219.03531	1.7
221.05013	1.2
226.05556	1.7
231.03470	26.5
231.07060	2.0
231.13655	0.8
234.05235	1.2
235.04813	0.8
249.04553	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	231.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.2
55.01856	1.6
55.05502	1.4
56.05023	0.8
56.27173	0.7
56.96564	19.7
57.03415	2.3
58.99863	1.5
60.04513	1.1
61.02921	1.5
65.03923	1.4
67.05485	3.2
69.03429	4.6
69.07064	1.7
70.06599	2.3
70.74495	1.7
71.04966	1.2
72.08143	2.0
73.02884	1.5
73.06536	3.4
73.08492	0.8
74.06023	0.8
77.00874	1.0
79.05500	4.6
81.03400	2.0
81.07070	4.9
81.38151	0.8
82.99825	1.9
83.04965	1.3
84.04500	1.3
84.08136	5.2
84.96016	3.0
85.01395	2.0
85.02911	4.3
86.09686	3.1
86.99319	1.2
87.04462	1.8
88.03973	0.9
91.05474	5.7
93.07025	2.8
95.04957	2.5
95.08609	1.8
97.02882	4.5
98.97576	14.4
99.04428	0.9
101.00868	11.0
103.02439	17.5
103.05499	1.0
105.00349	1.2
105.07027	5.2
107.04943	1.6
107.08572	1.8
109.02858	1.3
109.06512	1.6
110.70300	0.8
110.97531	0.9
111.04432	1.0
113.06010	1.0
115.05400	1.3
116.07043	0.9
116.98620	13.0
117.03963	4.9
117.06998	2.5
119.01917	74.1
119.04886	1.7
119.08565	2.8
121.03482	15.1
121.06485	1.4
121.10073	0.9
123.04415	1.3
125.02343	1.6
127.00600	1.2
127.02444	1.6
128.06201	2.7
128.98593	2.7
129.00325	2.1
129.06972	2.9
129.10236	2.4
131.01927	4.6
131.08565	5.3
133.03465	4.3
133.06430	1.5
133.10063	2.3
134.99654	10.7
135.05077	8.5
135.08015	0.9
137.02959	29.2
137.05916	1.0
138.02475	0.9
139.03900	1.6
139.07585	1.3
141.06848	1.0
142.03511	3.0
142.07744	2.4
143.00151	1.6
143.01921	2.3
143.08566	8.0
144.98111	1.0
145.01649	1.8
145.03461	39.0
145.06570	0.9
145.10126	4.7
146.99605	3.5
147.01389	22.5
147.04367	1.6
147.08061	1.5
149.02914	1.2
151.04543	1.2
153.00650	3.1
155.04591	1.3
156.03273	1.6
157.03473	1.5
157.10114	3.9
158.99663	3.9
159.03116	1.3
159.11629	3.7
160.04527	1.6
161.01204	4.5
161.02928	17.5
161.04454	1.1
161.04730	0.8
161.05978	1.0
161.09583	1.3
162.99207	1.5
163.02748	1.9
163.04547	31.5
165.00905	1.3
165.02438	13.3
167.07103	0.9
168.03433	0.8
168.05075	2.9
171.01381	14.7
171.07904	1.3
171.11685	1.6
173.02905	3.0
173.09583	2.5
174.04350	3.2
175.03922	1.7
175.07527	2.6
177.00732	6.5
179.02458	1.7
179.03935	6.8
181.00060	1.0
183.03407	3.0
185.02931	3.0
185.09512	0.9
185.13228	12.0
186.04340	2.6
186.06097	1.8
187.02771	1.1
187.04515	2.1
187.11020	1.0
189.02443	100.0
189.09131	2.2
189.12689	1.9
190.02480	1.4
191.03902	2.0
192.05367	1.2
193.00188	1.2
195.11639	1.0
197.01253	1.3
199.00867	1.0
201.00685	1.3
201.05936	1.1
203.04022	2.1
203.10614	1.9
203.14317	1.2
204.05428	3.1
205.03786	1.8
205.05545	1.5
207.01723	1.8
207.03476	25.9
207.05333	1.8
208.04594	1.6
212.03992	9.3
213.12769	3.3
230.04933	1.8
231.03464	28.9
231.06152	1.6
231.06587	1.5
231.10252	2.4
231.13799	14.3
231.17253	1.7
234.05264	1.0
237.02798	1.8
248.99121	2.9
249.04639	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	231.0348
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98423	0.5
52.77685	0.5
55.01867	1.2
56.96568	5.9
57.03444	1.3
57.08041	0.7
58.99859	1.3
61.02919	1.1
61.10661	0.6
68.98306	2.1
69.03429	1.3
70.06587	1.5
70.99850	1.0
71.51038	0.9
72.08150	0.7
73.01441	1.0
73.02908	1.0
77.00914	1.2
81.03403	0.7
82.99867	2.1
84.08150	1.5
84.96015	0.7
85.01395	3.7
86.09713	5.8
86.99329	2.3
91.02458	1.5
97.02890	1.1
98.97565	3.4
101.00874	18.8
103.00642	1.6
103.02443	21.1
105.00369	1.8
110.97583	0.7
113.00877	1.1
115.02444	2.4
116.98620	1.7
117.03985	7.7
119.01920	80.2
120.02039	2.4
121.01656	9.8
121.03477	13.1
126.04011	0.9
127.02425	2.2
128.98602	1.4
129.00372	3.1
131.01898	8.4
133.01686	0.6
133.03465	7.1
134.99713	1.3
135.03181	1.4
135.05040	7.2
137.02953	25.9
139.02663	2.5
142.03510	2.3
143.00175	1.1
143.01892	5.3
145.03465	46.1
145.44560	0.6
146.03561	1.5
146.99561	1.8
147.01385	26.1
147.03166	1.1
149.01147	0.7
149.02985	2.3
149.54935	0.6
151.04565	2.9
153.04265	0.7
155.01901	0.7
157.03487	6.2
157.10133	0.7
159.01421	1.5
159.05066	1.6
161.01259	2.6
161.02960	30.9
163.04547	27.7
164.04428	1.0
165.02478	9.1
167.01944	1.2
168.05113	2.2
170.99875	0.8
171.01389	17.3
173.02994	4.5
174.99178	0.7
175.04543	1.3
176.66383	0.7
177.00717	1.1
179.02461	1.0
179.03984	6.0
180.05133	1.5
183.03488	2.6
184.04572	1.2
185.02950	12.0
185.04610	1.1
185.13274	1.0
186.06119	0.8
187.04514	4.7
188.04213	0.8
189.02440	100.0
190.02556	2.2
191.04034	2.8
193.00137	1.0
199.00975	1.1
201.02504	0.8
203.04036	8.0
205.05563	1.4
207.01785	1.2
207.03503	24.1
208.04596	10.2
212.04037	6.1
213.08434	0.7
217.00185	1.6
219.03471	2.2
221.05074	1.3
226.05658	2.4
231.03494	30.9
231.07170	1.7
231.13591	0.8
249.04549	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	229.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.5
55.05508	53.2
55.75694	1.5
56.19093	1.7
57.03416	7.1
57.07058	7.5
57.47424	1.7
59.04998	12.5
59.06975	1.5
64.08918	1.8
64.52152	1.6
67.05502	51.9
69.03432	13.3
69.07070	18.0
70.06571	2.4
71.05000	10.3
71.51039	2.5
73.06525	2.5
79.05487	6.2
81.03410	3.8
81.07055	26.3
83.04498	3.5
83.04975	53.7
83.08151	2.8
83.08614	33.8
85.06537	25.8
87.04455	4.2
88.08598	1.6
91.05475	11.2
93.07034	16.2
94.82362	1.6
95.04963	6.8
95.08612	20.9
97.06499	2.4
97.10142	7.8
98.19768	1.5
99.08094	12.4
101.05982	8.8
105.06998	6.8
107.04943	4.5
107.08576	30.5
109.06482	3.2
109.10149	100.0
109.64773	1.7
111.08060	6.9
113.06000	3.0
117.07010	2.4
119.08590	10.9
121.10139	10.6
123.08064	3.2
123.11690	35.0
125.09641	14.0
125.13207	2.2
127.11194	24.7
131.08531	4.9
133.10095	9.0
135.11691	26.3
137.09581	4.1
141.07024	1.8
142.07838	2.0
145.10089	2.5
147.11642	1.7
149.13203	9.1
151.11235	8.0
151.14807	3.2
153.12723	9.4
155.08450	1.8
155.10619	3.7
157.10115	2.8
159.11627	2.1
167.14322	25.4
169.10056	3.2
169.12231	35.4
171.13791	3.9
173.09537	2.0
173.11713	7.6
173.13168	2.5
175.14818	10.9
185.06007	2.1
185.15324	7.1
193.15904	17.3
201.09100	2.7
211.15005	2.5
211.16908	56.7
214.06296	1.7
229.04987	3.5
229.08563	15.5
229.12169	5.4
229.14107	3.4
229.15862	4.6
229.17540	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	230.0702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.6
55.73137	0.5
56.96565	47.3
57.03422	0.7
60.09947	0.5
60.86261	0.5
62.10368	0.5
69.03425	1.1
69.07060	0.5
70.04905	1.5
70.06591	2.5
71.06942	1.0
71.95266	3.3
72.08162	0.9
72.96041	2.0
73.06534	0.7
74.97625	1.2
81.07066	0.5
83.45981	0.5
83.97633	1.0
84.08142	1.9
84.96048	2.5
85.02901	0.9
86.09708	6.0
91.05499	0.9
97.02876	0.8
98.20814	0.8
98.97583	100.0
101.00882	1.9
102.00981	2.0
102.02238	1.2
103.00653	0.7
103.02419	0.6
116.00245	2.1
116.98620	79.5
117.97135	0.6
119.01924	6.4
120.01998	8.2
120.61452	0.5
121.01653	2.3
126.02299	1.6
128.98576	0.6
129.10213	0.7
131.01942	0.9
133.01656	0.8
133.03471	0.9
134.01250	2.8
134.03596	0.6
134.99655	45.7
137.02925	1.6
137.05977	1.2
138.03033	1.8
139.00749	0.6
140.00186	2.6
140.03835	1.5
142.03508	0.6
142.05382	1.6
142.08614	1.0
143.01921	1.0
143.08945	1.2
144.03365	1.4
145.03496	1.0
145.99869	0.8
146.99600	1.6
147.01427	0.6
152.02451	0.7
153.00691	7.3
158.01236	2.9
158.04861	5.1
158.99664	0.8
160.06465	6.9
161.01204	1.0
161.02986	3.0
162.03175	0.8
170.04866	2.5
171.01425	0.9
171.03275	2.2
176.05968	1.5
177.00726	0.9
178.07552	3.3
181.03381	1.0
184.04567	0.8
188.01004	1.8
188.05928	5.6
189.00806	1.1
189.02477	1.9
189.04329	14.9
189.06064	0.8
193.00089	0.9
198.00742	1.1
199.04562	1.9
202.07480	1.1
203.05914	0.9
206.02086	1.0
206.07025	9.1
207.01878	0.7
207.05391	10.1
207.07289	0.9
212.05911	1.1
216.00574	1.5
220.08525	0.7
222.06000	0.6
224.05981	1.1
224.08064	13.7
229.08568	0.8
230.06964	11.1
230.08943	1.0
230.11385	1.1
230.13693	0.7
230.15828	6.4
231.05391	3.2
247.09442	0.7
248.08064	28.6
248.99170	1.4
249.06465	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1797
Annotation	Tectoionol A
Peak:m/z	Relative Intensity
53.03928	2.5
55.05508	53.2
55.75694	1.5
56.19093	1.7
57.03416	7.1
57.07058	7.5
57.47424	1.7
59.04998	12.5
59.06975	1.5
64.08918	1.8
64.52152	1.6
67.05502	51.9
69.03432	13.3
69.07070	18.0
70.06571	2.4
71.05000	10.3
71.51039	2.5
73.06525	2.5
79.05487	6.2
81.03410	3.8
81.07055	26.3
83.04498	3.5
83.04975	53.7
83.08151	2.8
83.08614	33.8
85.06537	25.8
87.04455	4.2
88.08598	1.6
91.05475	11.2
93.07034	16.2
94.82362	1.6
95.04963	6.8
95.08612	20.9
97.06499	2.4
97.10142	7.8
98.19768	1.5
99.08094	12.4
101.05982	8.8
105.06998	6.8
107.04943	4.5
107.08576	30.5
109.06482	3.2
109.10149	100.0
109.64773	1.7
111.08060	6.9
113.06000	3.0
117.07010	2.4
119.08590	10.9
121.10139	10.6
123.08064	3.2
123.11690	35.0
125.09641	14.0
125.13207	2.2
127.11194	24.7
131.08531	4.9
133.10095	9.0
135.11691	26.3
137.09581	4.1
141.07024	1.8
142.07838	2.0
145.10089	2.5
147.11642	1.7
149.13203	9.1
151.11235	8.0
151.14807	3.2
153.12723	9.4
155.08450	1.8
155.10619	3.7
157.10115	2.8
159.11627	2.1
167.14322	25.4
169.10056	3.2
169.12231	35.4
171.13791	3.9
173.09537	2.0
173.11713	7.6
173.13168	2.5
175.14818	10.9
185.06007	2.1
185.15324	7.1
193.15904	17.3
201.09100	2.7
211.15005	2.5
211.16908	56.7
214.06296	1.7
229.04987	3.5
229.08563	15.5
229.12169	5.4
229.14107	3.4
229.15862	4.6
229.17540	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	229.1798
Annotation	3,6,9-Trihydroxy-4-megastigmene
Peak:m/z	Relative Intensity
55.05512	70.0
57.03426	4.7
57.07071	9.6
59.04999	14.9
67.05512	33.9
69.03434	17.5
69.07071	20.0
71.04977	14.4
71.51371	4.3
79.05486	7.9
81.07064	37.8
83.04980	69.6
83.08621	37.9
84.40117	2.8
85.06550	32.3
87.04470	3.6
91.05487	9.8
93.07046	23.6
95.04969	8.8
95.08614	17.7
97.06526	3.8
97.10165	10.9
99.08093	14.0
101.06025	11.0
105.07042	12.6
107.08603	40.2
109.06543	6.2
109.10160	100.0
111.08086	9.8
113.06071	2.8
117.07027	3.1
119.08593	11.2
121.10139	11.6
123.08046	4.0
123.11703	48.8
125.09653	17.2
125.13128	2.6
127.11202	33.7
128.06241	2.9
131.04906	3.7
131.08569	5.0
133.10115	13.8
135.11696	42.0
137.09636	7.4
139.11136	3.4
145.10127	7.0
149.13290	19.0
151.11208	14.7
151.14842	3.5
153.12740	10.4
155.08600	4.4
159.11693	4.2
167.14296	41.2
169.10146	5.2
169.12257	42.9
171.11739	2.9
171.13805	4.2
173.09714	3.3
173.13254	4.2
175.14847	16.6
185.15376	8.4
193.15871	21.9
211.16928	78.4
229.04907	5.0
229.08562	21.2
229.12303	5.5
229.15865	13.6
229.18045	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	229.1547
Annotation	H-Pro-Leu-OH
Peak:m/z	Relative Intensity
53.03928	0.6
55.01871	1.1
55.05507	0.4
56.96563	10.9
57.03436	1.5
57.07057	0.3
58.06595	6.3
58.99867	0.5
59.07384	1.1
60.08161	7.0
60.95870	0.3
61.02918	0.8
67.05495	1.3
67.07100	0.3
68.05022	1.0
69.03420	1.6
69.07080	0.3
69.50832	1.1
69.51257	1.0
70.06587	35.2
70.98113	0.6
70.99857	0.3
71.04974	0.5
71.95260	0.6
72.08130	1.5
72.96034	0.3
73.02913	1.0
74.06089	0.4
77.00887	0.9
79.05510	1.4
81.03425	0.9
81.07050	1.0
82.06611	0.2
82.99854	0.6
83.04995	0.7
83.97684	0.3
84.04491	0.6
84.08138	0.7
84.96029	0.7
85.02889	2.8
86.03699	0.3
86.09702	1.2
86.99310	0.4
89.00863	0.7
91.05480	1.4
93.07045	0.8
95.01940	0.4
95.04961	1.1
96.08117	1.6
97.02884	2.7
98.06071	0.8
98.97578	12.4
99.04449	0.7
100.02480	0.5
101.00875	8.7
101.02563	0.4
102.00922	0.3
103.02397	0.4
105.00374	0.6
105.07015	0.8
106.01059	0.3
107.04944	0.8
107.08585	0.4
109.02863	0.6
109.06549	0.7
110.01352	0.4
110.97610	0.4
113.00890	0.4
114.05503	3.9
114.09184	1.6
115.02433	1.5
115.05494	0.3
115.23777	0.2
116.00165	0.3
116.07102	1.2
116.98611	11.9
117.04037	0.3
118.01118	0.3
118.03494	0.4
119.01913	42.3
120.01980	3.1
120.03235	0.3
121.01627	0.6
121.06490	0.4
123.04430	0.7
124.07585	3.6
125.02373	0.5
126.09108	0.4
126.98816	0.7
127.03920	0.7
128.02286	0.7
128.98605	1.1
129.03978	0.4
131.01875	2.7
131.04907	0.3
133.01654	0.4
133.03464	3.6
133.06355	0.4
134.01242	0.5
134.02969	0.7
134.99644	8.9
135.03152	0.4
135.04324	0.4
137.02946	14.7
137.05956	1.7
138.03035	0.9
139.02539	0.4
140.00165	0.5
140.98553	0.3
141.05441	0.5
142.03539	1.9
142.08623	31.9
143.00227	0.4
143.01878	1.2
143.08957	0.3
144.03329	0.3
144.99835	3.3
145.01620	0.4
145.03468	1.8
146.99652	1.1
147.04272	0.5
149.02919	0.7
149.05887	0.4
151.02861	0.3
151.03912	1.0
153.00677	1.6
154.03535	0.3
155.01910	0.5
157.03479	1.0
158.01259	0.7
158.04895	0.9
158.99655	1.1
159.06476	0.5
160.02045	0.3
160.04623	0.7
160.06451	1.1
161.01309	0.7
161.02963	2.4
162.03145	0.5
163.00871	0.9
163.03984	0.9
164.04681	0.4
165.00681	0.4
165.04095	0.4
165.05478	0.9
168.99828	3.8
169.03572	0.4
170.08099	1.8
172.99295	0.7
173.02956	0.9
174.99179	0.7
175.02702	0.3
175.04575	1.1
176.05998	0.3
177.00731	2.1
177.02400	0.9
178.02965	0.3
178.07614	0.4
179.02158	0.4
179.04060	0.3
179.07056	0.9
181.03751	0.3
183.04997	0.5
183.11354	0.4
183.14909	0.6
184.04417	0.4
185.02914	0.6
185.06618	0.3
186.04411	0.3
186.99174	0.8
187.00883	10.3
187.02629	0.8
187.04492	2.0
188.01007	0.6
188.05972	0.9
189.00706	0.6
189.04324	1.7
191.00357	0.8
191.02196	0.3
191.04010	0.6
192.00543	0.5
192.02792	0.4
193.00197	0.3
193.05078	0.5
196.99318	1.3
197.01111	1.0
199.04457	0.8
199.54756	0.4
201.02448	0.6
203.04114	0.4
204.05295	0.6
205.00198	0.5
205.01950	3.6
205.03806	0.4
205.05653	0.8
206.06987	1.5
207.05338	1.4
208.04904	0.6
210.02512	0.8
211.06013	0.7
215.00357	6.4
215.02202	0.7
216.00653	0.5
217.01949	0.3
217.05444	0.7
221.05115	0.6
222.05954	0.3
223.04515	0.4
224.08051	2.9
229.15456	100.0
230.06946	1.2
230.15775	2.0
233.01331	0.5
233.05058	0.5
237.02763	0.5
238.01941	0.6
247.06728	0.6
248.08063	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89271	4.3
55.05507	15.0
56.04428	3.8
57.03436	22.6
67.05504	100.0
69.03412	6.2
69.07063	6.2
69.36589	36.9
71.04986	5.2
74.01748	4.2
79.05499	5.9
81.03413	5.1
81.07047	29.3
83.08622	9.1
91.05481	17.3
93.07070	7.0
95.04992	7.1
95.08638	10.7
99.00809	5.1
105.06989	7.2
105.47343	4.3
107.08585	5.2
109.06536	6.9
109.10152	81.3
110.22361	4.4
117.07052	6.2
119.08582	10.8
129.07004	8.0
131.04930	6.0
131.08549	8.9
137.09657	6.9
141.06999	6.7
142.07715	4.3
143.08589	5.9
145.10121	16.6
152.94777	4.6
157.10136	10.2
173.06004	6.2
173.11757	25.6
175.03859	4.5
183.11714	9.4
201.05542	5.9
211.11295	4.2
211.14702	5.3
229.04962	7.7
229.08546	26.3
229.12239	12.5
229.14310	20.0
229.15971	19.0
229.19426	7.0
229.23541	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1435
Annotation	Ieodomycin C
Peak:m/z	Relative Intensity
51.99165	2.0
55.05513	58.9
57.03431	7.9
57.07088	11.0
58.16430	1.9
59.04998	12.9
67.05507	56.6
69.03432	14.5
69.07075	20.4
70.06583	4.1
71.04987	9.1
71.50922	2.8
71.51278	2.4
72.09492	2.0
79.05485	10.0
81.03419	6.2
81.07054	32.2
81.14327	2.2
83.04982	52.9
83.08624	34.2
85.02937	3.0
85.06539	28.0
87.04481	3.7
91.05475	12.2
93.07042	20.2
95.04956	12.6
95.08608	27.3
97.06510	3.8
97.10145	7.7
99.00839	2.3
99.08080	16.0
101.06031	10.9
105.07032	9.9
107.08601	32.1
109.06532	3.9
109.10159	100.0
111.08060	6.7
111.11714	2.3
115.05514	2.8
117.06998	5.1
119.08579	10.2
121.10144	11.9
123.08030	4.1
123.11695	35.4
125.09608	13.4
127.11185	23.5
129.07010	3.5
131.04927	4.8
131.08582	7.0
133.10110	8.7
135.11699	27.2
137.09595	5.3
141.06969	3.7
145.10075	6.8
147.11632	5.9
149.13246	13.0
151.11183	7.6
151.14783	2.6
153.12726	11.5
155.08484	2.7
155.10587	2.8
157.10155	3.9
159.08017	2.8
167.07072	2.9
167.14322	35.2
167.15628	3.7
169.06471	3.6
169.10161	2.7
169.12247	32.6
171.13763	3.0
173.06013	3.5
173.09550	2.9
173.11711	6.2
173.13150	4.3
175.03882	3.3
175.14847	8.8
183.11653	2.3
185.13356	2.3
185.15364	5.7
187.07600	3.2
193.12234	3.7
193.15903	17.7
197.07043	3.2
201.09061	4.6
201.12752	2.7
211.14958	2.7
211.16933	63.1
229.04977	5.1
229.08614	24.2
229.12239	8.4
229.14102	4.3
229.15877	7.6
229.18007	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	229.107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.6
55.01854	4.8
55.05498	4.7
58.31652	2.1
67.05487	6.1
69.03411	2.6
70.62172	7.7
71.04986	2.6
79.05488	24.5
79.63373	2.2
81.03412	12.3
81.07045	18.6
82.90855	2.2
91.05470	41.7
93.07039	11.9
93.59059	2.2
95.04953	9.9
95.08596	13.7
97.06534	3.4
103.05472	3.3
105.07026	44.0
107.04946	7.9
107.08590	7.5
109.02874	3.4
109.06519	58.9
111.08068	3.7
115.05454	3.6
119.04953	11.5
121.06494	8.6
123.08047	31.9
125.05989	7.9
127.03899	2.6
130.10330	2.5
133.06499	33.2
135.08015	2.8
137.05994	32.8
137.25484	2.5
139.07556	18.5
141.05444	12.2
149.05989	3.6
151.07544	30.9
153.09061	2.7
155.07025	90.7
155.10614	6.4
161.05946	9.8
167.07025	3.9
169.08607	100.0
179.07054	17.5
183.10176	32.0
193.08656	11.7
197.08052	6.2
201.57655	2.2
211.09618	9.7
229.10474	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1222
Annotation	Mansonone C
Peak:m/z	Relative Intensity
53.03932	2.8
55.05510	15.1
57.03426	7.0
57.07055	3.7
64.55328	1.4
65.03944	1.6
67.05500	15.8
69.03436	2.0
69.07075	7.7
70.01508	1.4
70.34164	5.7
71.04974	1.5
74.37717	1.3
77.03891	1.7
79.05489	14.4
81.03395	3.1
81.07043	12.8
83.04955	2.4
83.08591	1.5
91.05477	76.9
93.07049	11.6
95.04932	3.9
95.08592	8.5
97.02898	1.6
103.05475	7.0
105.03394	2.4
105.07028	25.0
107.04942	8.4
107.08562	4.3
109.06502	3.0
109.10152	7.3
115.05450	16.7
116.06251	8.0
117.07014	47.4
119.04929	10.1
119.08571	8.6
121.06487	5.7
126.39070	1.6
128.06213	30.9
129.07010	34.8
130.07745	4.6
131.04887	6.4
131.08557	88.6
132.05635	2.3
133.06461	6.0
133.10120	6.5
135.04370	3.4
135.07985	1.4
141.06978	39.4
142.07808	8.5
143.08549	52.6
144.05690	5.3
144.09311	4.8
145.06476	23.5
145.09070	1.9
145.10127	22.5
146.07225	3.2
147.08047	5.0
149.06133	1.4
153.06981	11.8
154.07846	3.0
155.06142	1.9
155.08556	24.7
156.09315	2.4
157.06461	4.4
157.10133	6.0
158.07297	3.2
158.10852	2.5
159.04396	1.7
159.08054	39.9
159.11667	5.4
161.06015	3.0
161.09610	6.4
166.07751	1.4
167.08517	3.8
168.09348	11.9
169.06451	4.1
169.10165	3.9
171.08025	5.4
172.08902	1.9
173.06007	4.3
173.09628	7.0
173.13240	23.5
181.06499	2.5
183.08002	2.6
183.11699	22.5
185.09564	5.6
185.13263	2.3
187.07526	14.3
187.11143	2.3
193.10019	2.6
196.08795	1.9
201.09013	2.6
201.12735	71.3
205.08586	3.6
211.11185	12.5
213.00832	1.4
215.32607	1.3
229.04927	2.2
229.08563	6.4
229.12225	100.0
229.15909	3.7
230.12404	1.7
247.13223	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	229.107
Annotation	Loganetin
Peak:m/z	Relative Intensity
53.03931	6.0
54.58729	1.8
55.01869	3.5
55.05505	6.5
62.41025	1.9
62.98507	1.8
67.05505	7.7
69.03436	3.9
69.07041	2.2
70.06577	3.9
71.04973	3.2
71.46584	4.1
76.78091	2.1
79.05491	19.6
81.03418	20.3
81.07054	21.0
83.05002	2.5
86.89642	2.2
90.78906	1.8
91.05489	21.7
91.91848	1.9
93.07050	24.1
95.01301	2.6
95.04960	16.9
95.08602	15.2
97.02882	5.6
97.06529	3.2
97.08371	1.9
105.07019	27.6
107.04957	5.3
107.08605	8.1
109.02883	6.1
109.06519	43.0
109.10180	2.8
115.05443	2.6
121.06525	5.3
123.08055	46.2
125.02341	4.4
125.06004	6.3
127.03905	4.4
129.06987	2.1
133.06500	16.5
135.08092	2.4
137.05966	22.8
139.07539	9.7
141.05467	12.4
143.03381	22.9
151.07539	31.2
153.09093	2.5
155.07037	44.0
155.10666	9.0
157.04950	4.4
161.05997	9.3
167.07001	2.6
169.08604	100.0
179.07019	22.1
183.10168	52.4
193.08540	2.8
197.08112	13.8
201.05673	2.1
209.39580	2.1
210.77942	2.2
211.09622	6.1
219.36386	2.2
229.08551	2.9
229.10612	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	229.107
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26048	1.3
52.34653	1.3
53.03944	2.9
55.01862	3.2
55.05513	10.4
67.05498	6.0
69.03439	3.4
71.01350	5.3
71.21009	2.2
71.21343	2.5
79.05480	18.6
81.03435	3.3
81.07052	100.0
82.07410	2.0
83.04983	5.4
90.09499	1.4
91.05445	7.3
93.07040	11.4
93.23849	1.4
95.04971	4.3
95.08612	12.3
97.02882	8.9
99.00785	1.9
99.04388	1.4
103.03954	2.5
103.05446	2.4
105.07030	45.1
107.04934	2.7
107.08631	4.3
107.18389	1.4
109.06513	95.1
111.08045	2.0
115.05466	1.9
117.06995	1.6
119.03413	2.4
121.06514	2.9
123.08061	15.7
133.06493	39.5
135.08069	3.9
137.05988	15.7
151.07542	56.6
155.07072	3.4
155.08289	1.4
161.05963	19.8
165.09140	3.2
167.07060	1.8
169.08611	4.4
179.07036	57.5
179.08586	3.1
185.65665	1.4
193.08617	4.5
197.08084	14.2
210.95255	1.6
211.09676	2.5
229.10625	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	229.1069
Annotation	Octahydro-6-hydroxy-7-methyl-1-oxocyclopenta[c]pyran-4-carboxylic acid
Peak:m/z	Relative Intensity
51.21307	1.2
53.03940	5.6
55.01873	11.9
55.05499	5.4
57.03424	1.3
57.28855	1.2
65.03922	4.3
67.05502	21.8
67.45435	1.2
69.03428	3.0
69.07053	1.6
70.06586	1.3
71.13076	1.4
71.25015	2.3
77.03934	1.7
79.05489	86.3
81.03419	3.3
81.07056	25.9
83.04568	1.3
83.04974	8.4
85.02903	1.3
91.05477	67.1
93.07040	18.4
95.04962	24.7
95.08605	17.3
97.02880	1.9
97.06527	5.5
103.05436	6.4
105.07027	100.0
107.04963	17.2
107.08591	61.2
107.09180	0.7
109.02851	1.5
109.06515	30.9
109.10125	2.2
111.04448	7.0
111.08067	3.2
113.05994	1.4
115.05451	7.9
117.06985	6.0
119.04968	6.3
119.06038	6.2
119.08543	1.6
121.06498	9.8
123.04441	10.6
123.08059	18.0
125.05994	13.4
125.09623	1.6
127.03893	1.3
127.07551	9.1
133.06490	49.3
135.04419	9.4
135.08049	67.5
137.05998	7.1
137.09586	1.8
139.03889	2.9
139.07538	2.1
141.05463	2.0
147.04413	1.5
149.05940	2.9
151.03903	22.5
151.06451	2.3
151.07547	26.1
153.05487	5.0
153.06691	1.6
155.07016	5.2
155.08580	1.8
161.05977	12.7
165.09094	5.0
167.07048	19.8
168.07478	1.3
169.04987	1.6
169.08612	4.0
177.05354	1.6
179.07040	36.7
183.08008	1.7
183.10222	2.7
193.04921	1.6
193.08621	8.3
197.08086	83.4
201.09134	2.5
211.09651	28.4
211.11545	2.4
229.05017	3.2
229.08575	6.6
229.10721	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	229.0705
Annotation	Nortetillapyrone
Peak:m/z	Relative Intensity
50.26060	1.1
53.03932	5.6
55.01846	1.6
55.05482	1.5
57.03432	2.4
62.44259	1.1
67.05495	12.6
69.03416	5.3
69.07059	2.2
70.06576	3.6
70.36098	5.3
71.01315	1.2
71.04986	4.4
79.05483	9.7
81.03423	2.1
81.07050	7.9
85.02874	1.3
86.09688	3.5
91.05480	14.7
93.07030	5.1
95.01333	6.8
95.04961	97.9
95.08573	2.0
97.02876	7.6
97.06525	8.9
98.20837	1.5
99.00773	1.5
105.03379	1.7
105.04501	2.2
105.07023	3.5
107.04945	2.8
109.02885	1.2
109.05817	2.0
109.06516	19.3
116.07098	5.9
119.04929	8.8
121.06472	2.8
123.00781	11.4
123.03491	1.6
123.04417	52.1
125.02342	97.2
131.08612	1.3
133.06462	1.9
137.05983	20.6
139.03838	1.5
139.07516	3.1
141.01805	7.3
141.05469	20.3
147.04414	6.9
149.06020	1.8
151.03894	100.0
151.07474	2.2
155.07002	10.2
165.05479	29.0
167.03407	12.7
167.07013	4.3
169.04945	12.8
169.08574	7.9
175.03947	2.9
179.07025	1.3
183.06506	3.3
193.04979	14.6
200.36656	1.3
211.05994	49.4
229.06917	11.7
229.09000	2.1
229.15767	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	229.0705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.9
53.82631	1.4
55.01863	3.3
56.94548	1.5
61.16600	1.5
63.51356	1.5
65.03924	1.9
66.68692	1.5
67.05500	11.5
69.59222	11.5
71.04982	1.9
76.61533	1.6
79.05495	18.3
81.07042	6.5
83.04993	2.7
83.08585	1.7
90.38509	1.5
91.05476	14.4
93.07040	4.2
95.04965	38.0
95.08595	3.4
97.02881	2.0
97.06498	2.1
98.20821	2.2
105.07015	16.1
107.04951	4.8
107.08588	9.1
109.06519	9.5
111.04439	2.6
117.06934	1.9
119.04914	7.1
119.08507	1.9
123.00801	2.6
123.04426	16.8
123.08061	2.6
125.02400	1.7
125.05933	2.3
129.07028	2.0
133.06496	8.2
135.08080	9.5
137.05939	3.1
137.09660	2.8
141.01808	2.2
145.06496	2.5
147.04385	5.3
149.05916	2.5
151.03899	100.0
151.07516	5.1
152.04173	2.2
155.07021	6.2
155.08501	1.5
161.05939	2.7
162.37825	1.5
165.05455	2.4
165.09154	1.4
167.07013	3.0
169.04945	2.9
175.03880	4.0
179.07031	5.7
193.04921	4.1
197.08067	13.3
211.06029	3.1
211.09642	4.5
229.04945	3.2
229.08676	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	229.0194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.7
56.96560	8.1
57.03431	1.6
58.06594	0.6
58.99861	1.6
59.07378	0.3
60.08149	1.2
61.02919	2.8
64.18108	0.3
67.05490	0.3
67.41772	0.3
69.03424	1.6
69.82926	0.9
69.83337	0.7
70.06586	5.4
70.98088	0.3
70.99854	2.2
71.95250	0.7
72.08137	0.4
73.02903	1.7
77.00898	1.3
77.01287	0.3
79.05503	0.3
81.03397	0.5
82.01453	0.5
82.99831	1.9
83.04991	0.5
83.97689	0.3
84.08148	0.5
84.96033	0.7
85.02888	2.6
86.09695	0.5
86.99340	0.4
87.00370	0.3
88.99154	0.4
89.00872	1.3
91.02457	0.6
91.05467	1.0
95.01929	0.3
95.04974	0.5
97.02879	2.5
97.96825	0.3
97.99172	0.3
98.20850	0.4
98.97573	8.8
99.04445	0.8
100.02483	0.6
101.00873	32.1
101.02568	1.3
102.00951	0.9
103.00572	0.5
103.02438	0.7
105.00379	0.5
107.01871	0.3
109.02846	0.5
109.06529	0.3
110.01293	0.4
110.97558	0.8
112.99159	0.4
113.00877	0.9
114.05534	0.5
115.02415	2.3
116.98621	5.5
117.02016	0.5
117.04025	0.4
118.01102	0.5
119.01910	100.0
119.97347	0.3
120.01976	3.2
121.01615	0.5
121.02355	0.3
122.03696	0.5
124.02439	0.7
126.98783	2.9
127.03903	0.9
127.75213	0.3
127.98869	0.4
128.02324	1.0
128.98599	1.1
129.04015	0.4
131.00127	0.4
131.01897	4.2
133.01631	0.3
133.03462	9.0
134.03598	0.4
134.99641	3.0
135.03087	1.1
135.05092	0.3
136.01828	0.3
137.02945	24.1
137.05942	3.5
138.03113	0.7
140.00276	0.3
142.03484	3.0
142.08621	3.3
143.00154	0.5
143.01851	1.9
144.99812	11.3
145.03471	2.0
145.05043	0.3
145.99980	0.9
146.99638	1.4
147.01337	1.0
147.03294	0.3
147.04366	0.8
148.03860	1.7
149.02946	1.2
150.15604	0.3
151.04549	1.7
153.00591	0.5
154.03746	0.5
155.01854	0.6
156.05022	0.3
157.03406	0.5
157.04475	0.4
158.01448	0.3
158.99574	0.8
159.01369	0.6
159.04979	0.3
160.04584	0.5
160.06453	0.4
161.01427	0.5
161.02931	5.3
163.00871	1.2
163.04495	0.6
165.00636	0.4
168.01628	0.4
168.98340	0.5
168.99825	9.3
169.01389	0.5
170.08070	0.4
171.05084	0.5
172.99294	2.5
173.02943	1.1
173.99384	1.2
175.04561	0.6
177.00880	0.6
177.02406	1.5
177.03851	0.3
178.04948	0.4
179.04044	0.4
179.07076	0.4
181.03438	0.5
185.02939	0.4
187.00873	24.1
187.02397	0.9
187.04364	0.8
188.01051	1.2
188.05826	0.4
189.00775	0.6
189.06026	0.4
190.98798	0.4
191.00352	1.8
191.02100	0.5
191.04008	1.6
192.00523	0.7
193.00188	0.3
195.05092	0.7
196.00931	0.4
196.99300	2.3
197.01076	3.0
198.00792	0.3
199.04366	0.6
201.00714	0.5
201.02434	1.0
205.00348	0.4
205.01936	7.4
205.03745	0.3
206.01955	0.5
206.07082	0.8
207.01614	0.5
208.04813	1.6
208.55214	0.4
210.02493	1.3
215.00351	19.9
215.02132	1.7
216.00447	0.5
217.02003	0.4
217.05502	0.4
219.01717	0.5
221.05099	0.9
224.08084	1.1
229.01913	0.4
229.03738	0.7
229.06232	0.5
229.08545	0.4
229.15463	12.0
233.01410	1.5
237.02692	0.8
237.06050	0.5
238.01941	1.0
247.03000	0.7
248.07933	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.7
55.01860	1.2
55.05503	5.3
56.02653	0.9
57.03437	0.6
62.05709	0.5
62.39532	0.5
65.03928	0.7
67.05499	24.0
68.05833	0.5
69.03436	0.7
69.07061	4.4
69.71998	3.4
71.04984	100.0
79.05023	0.6
79.05484	12.1
79.05918	0.8
81.03416	0.9
81.07047	29.9
83.04965	1.3
83.08623	2.5
85.06535	3.3
91.05470	6.1
93.07034	14.2
95.04964	6.1
95.08591	14.6
97.06510	4.2
97.10162	1.5
99.08087	1.0
100.11245	0.8
103.05449	1.2
105.03376	0.7
105.07001	3.2
107.04948	17.8
107.08583	6.0
109.02858	3.2
109.06538	2.5
109.10141	2.4
109.82536	0.5
111.08099	2.4
113.09557	0.5
117.07016	4.1
119.08551	1.2
121.06509	2.9
121.10156	2.5
123.04451	1.7
123.08040	0.7
125.02364	0.8
125.09632	1.3
131.08548	4.6
133.02864	1.2
133.10092	4.2
135.08054	1.4
135.11687	8.7
137.05971	0.9
139.03879	1.0
149.05995	1.5
149.13243	5.2
151.03891	3.7
159.11678	7.0
165.05444	8.7
167.07066	2.9
171.11707	0.7
177.05508	1.9
177.12752	2.3
195.06642	0.8
195.13759	1.0
209.15358	1.1
227.07024	0.6
227.10686	1.1
227.12599	1.1
227.14569	1.0
227.17986	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.4
53.87240	0.5
53.87528	0.5
55.01859	0.8
55.05507	4.5
55.85551	0.6
56.02645	1.2
57.03437	0.5
58.28892	0.5
58.29251	0.5
59.05002	1.0
59.14209	0.5
65.03943	0.8
66.59441	0.4
67.05506	22.4
69.03439	1.2
69.07055	3.4
70.01516	0.8
70.01910	1.6
71.01349	0.5
71.04991	100.0
72.05330	0.8
76.36073	0.5
79.05492	11.7
81.07056	29.9
81.13586	0.5
83.04990	1.7
83.08186	0.5
83.08634	2.4
85.02887	0.6
85.06525	2.6
87.04446	0.6
87.70110	0.5
91.05475	8.0
93.07045	17.0
95.04975	7.0
95.08604	14.5
95.09184	1.1
97.02905	1.7
97.06540	5.8
97.10159	0.6
99.04482	0.6
99.08106	1.4
100.11263	1.1
103.05497	1.3
105.07014	3.6
107.04952	15.8
107.05636	1.0
107.08589	6.9
109.02888	4.8
109.06532	1.9
109.10155	2.1
111.04469	1.6
111.08091	2.6
115.05512	0.8
117.07031	4.8
119.08599	1.8
121.06488	2.7
121.10165	2.3
123.04424	2.1
125.02335	2.8
125.05994	2.4
127.07559	0.7
128.06242	1.4
129.07024	1.2
131.08557	5.6
133.02827	0.9
133.10101	4.6
135.04425	1.6
135.08046	1.4
135.11693	9.8
137.05942	0.6
139.03914	1.9
141.05461	1.1
142.07785	0.6
143.08580	4.0
145.10118	2.2
149.05965	2.1
149.13263	5.0
151.03925	3.1
153.05511	1.9
156.09314	0.8
157.10167	2.0
159.11684	8.1
161.13338	0.6
165.05475	7.6
167.07069	3.7
171.11748	2.3
173.13182	0.6
177.05383	2.5
177.12787	2.2
185.13316	2.8
186.74062	0.6
195.06534	7.1
195.13794	1.2
209.08102	1.0
209.15404	2.1
227.07013	1.3
227.10704	0.9
227.12679	1.0
227.17929	7.4
237.69817	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.7
55.01867	7.7
55.05507	15.6
57.03449	4.1
57.07066	2.3
65.03946	2.5
67.05503	22.5
69.07069	12.4
70.29986	10.0
71.05000	4.8
73.02924	3.1
78.04685	3.7
79.05499	41.2
81.03423	8.2
81.07053	22.1
83.04970	4.7
83.08620	12.4
89.85957	2.3
91.05487	17.6
93.07042	44.7
95.04962	30.3
95.08609	42.9
97.02912	6.5
97.06536	7.3
97.10152	3.4
98.21529	2.4
99.04439	7.4
100.11250	6.3
103.05473	10.1
105.03416	2.3
105.07027	8.3
107.04956	84.2
107.08587	32.2
107.46512	2.4
108.36034	2.2
109.02880	11.0
109.06510	6.2
109.10155	5.1
111.04450	5.4
111.08079	2.6
117.07021	8.2
119.08589	11.4
121.06503	19.2
121.10126	13.5
123.04430	13.6
125.02368	3.9
125.05975	3.9
129.07036	3.1
131.04945	11.0
133.02888	5.1
135.04419	5.4
135.08043	2.5
135.11688	54.8
137.05975	12.4
139.03961	3.5
140.04639	3.6
145.10121	29.0
149.05978	20.1
151.03947	12.1
156.40060	2.2
159.04405	3.9
163.09978	1.4
163.11174	74.2
165.05478	36.4
167.07037	100.0
177.05469	31.8
181.12193	16.8
194.93922	2.3
195.06482	4.0
209.08115	7.4
227.07005	7.1
227.10704	4.3
227.12708	68.3
227.17798	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0912
Annotation	Ficusol
Peak:m/z	Relative Intensity
53.03934	9.7
55.01872	4.6
55.05486	5.0
58.59697	2.7
59.04991	6.3
61.55091	2.6
62.11908	2.4
65.91217	2.6
67.05489	5.4
69.03425	6.8
69.07050	3.0
70.63479	8.7
71.04985	28.2
74.50937	2.4
79.05484	12.8
81.03404	23.6
81.07054	7.1
83.04964	8.8
85.06536	5.0
86.09681	2.7
88.44179	2.4
91.05460	11.9
93.07036	15.6
95.04972	44.0
97.02901	12.9
97.06523	3.6
99.00795	9.1
99.04416	3.2
100.11249	25.1
103.05468	13.5
105.03401	3.0
105.07018	5.6
106.04144	3.3
107.04956	22.3
109.02881	31.8
109.06499	7.7
111.04442	15.4
119.72013	2.2
121.06502	26.4
123.00817	4.0
123.04408	30.9
125.02344	13.6
125.05971	13.3
127.03902	10.0
131.03416	4.2
131.04916	8.6
133.06480	5.7
135.04352	3.7
137.05984	9.9
139.03899	95.7
141.05446	40.4
149.02377	5.3
149.05974	48.4
151.03891	11.8
151.07524	6.2
153.05466	5.1
155.03387	26.0
155.07011	3.5
159.04384	5.2
165.05504	7.8
167.03412	5.8
167.07043	100.0
177.05461	55.9
181.04956	12.3
181.08554	3.5
183.06549	10.4
195.06511	32.9
209.08043	8.3
227.09096	11.1
227.17636	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0913
Annotation	Taraxafolin
Peak:m/z	Relative Intensity
51.62480	1.3
53.03937	5.0
55.01863	1.2
59.05011	1.2
60.75337	1.2
67.05502	2.3
70.86046	3.0
70.86387	1.8
71.01352	1.7
77.03902	1.7
79.05490	15.5
81.03424	3.6
81.07060	3.0
88.93930	1.0
91.05469	7.5
93.07028	6.2
94.92252	1.3
95.04977	26.9
95.08575	1.3
97.02895	3.2
103.05506	6.2
105.03393	1.9
107.04957	100.0
108.05291	2.0
109.02881	13.2
109.06521	1.9
121.06499	8.7
123.04417	4.8
125.02355	4.2
125.06000	1.8
131.04883	1.9
133.02829	5.6
135.04410	2.9
137.05988	2.7
138.00920	1.4
139.03903	5.0
149.06003	6.8
151.03900	14.3
153.05455	2.6
165.05481	43.8
167.07111	10.0
177.04085	1.5
177.05452	7.5
195.06538	3.4
203.08865	1.4
209.08142	2.2
209.80519	1.2
240.84668	1.2
244.05670	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0911
Annotation	Taraxafolin
Peak:m/z	Relative Intensity
51.02377	1.3
52.12907	1.0
52.26891	1.2
53.03931	4.5
55.01863	1.6
55.28622	1.0
62.78606	1.0
67.05501	4.0
69.03429	2.0
69.51836	7.5
71.01353	2.7
71.04978	2.6
77.03896	1.6
79.05489	18.4
81.03395	3.3
81.07048	1.7
83.04978	1.7
91.05466	8.5
93.07037	7.1
95.04961	29.1
95.05567	1.5
97.02876	3.4
100.34744	1.1
103.05459	7.8
105.03377	2.4
105.04490	2.1
107.04951	100.0
108.05280	1.2
109.02139	2.1
109.02874	37.6
109.06507	4.5
111.04449	1.6
121.06497	10.2
123.04423	7.4
125.02351	7.2
125.05951	1.9
131.04912	2.8
133.02856	5.6
135.04370	2.5
137.05916	2.1
139.03885	5.1
149.05959	10.4
151.03888	20.6
153.05426	2.5
159.04404	1.9
165.05469	46.6
167.03409	1.7
167.07033	8.0
177.05492	13.9
195.06470	3.8
209.07979	1.6
209.95689	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	7.3
53.26498	1.4
67.05502	3.3
68.86354	1.5
69.03412	1.6
69.18950	6.9
69.19369	10.6
79.05496	15.0
81.03414	3.5
85.58042	1.6
91.05493	7.7
93.07030	6.9
95.04979	26.8
97.02907	2.6
98.20812	3.4
103.03940	2.2
103.05453	7.6
103.11653	1.6
105.03382	3.6
107.04953	100.0
108.05229	1.9
109.02876	15.3
109.06523	3.5
121.06515	8.2
123.04430	6.6
125.02352	5.1
125.05994	2.5
131.04935	3.0
133.02840	7.1
135.04466	1.7
137.05966	2.6
139.03906	6.8
139.07524	1.8
148.61201	1.4
149.00052	1.5
149.05975	8.3
149.60147	1.3
151.03897	16.7
154.76691	1.4
165.05476	48.2
167.07069	5.6
168.64787	1.9
177.05455	7.9
195.06612	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1483
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
55.05492	21.5
56.01138	6.1
57.07068	14.4
59.17412	6.3
67.05492	12.8
69.91017	20.8
69.91427	14.0
71.04973	11.5
79.05490	22.4
81.07038	16.8
83.04974	14.7
91.05456	19.1
93.07028	12.2
93.18058	6.5
95.04988	39.2
95.08604	20.1
98.20841	7.8
99.04398	7.8
101.95045	11.7
105.03368	8.0
105.06992	14.7
107.04902	8.2
107.08599	17.2
109.06509	14.4
111.08054	6.6
119.08553	19.1
121.10125	10.5
123.04416	9.1
138.77008	5.9
139.03917	54.1
141.06982	7.7
152.06255	6.9
161.13197	7.2
207.13791	13.8
225.05357	11.3
225.14819	100.0
225.16568	5.0
226.09804	8.9
231.91884	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	227.0913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.2
55.01867	1.6
67.05501	3.2
71.01350	1.9
71.04996	1.6
71.06475	2.5
71.06818	1.9
79.05499	15.3
81.03413	4.3
81.07059	4.1
91.05469	10.4
93.07050	8.7
94.50987	1.3
95.04963	24.0
97.02911	3.2
103.03942	1.7
103.05455	5.6
103.43357	1.4
105.00186	1.5
105.03422	3.1
105.07034	1.6
107.04952	100.0
109.02875	11.8
109.06490	2.7
110.70692	1.2
111.04401	1.9
111.40523	1.4
114.55591	1.3
121.06525	6.3
121.10119	3.9
123.04433	6.2
123.11666	2.9
125.02380	6.4
125.06003	2.6
127.03955	1.9
131.04912	3.6
133.02844	5.8
135.04489	2.2
137.06035	3.0
139.03920	4.5
149.05988	7.3
151.03889	16.6
153.05397	3.2
156.98662	1.3
165.05486	47.6
167.07019	9.2
167.10716	4.2
177.05486	9.6
181.04955	1.5
181.70322	1.8
195.06537	2.5
209.07991	2.9
226.19841	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0756
Annotation	cis-sinapic acid
Peak:m/z	Relative Intensity
50.60018	0.9
51.02357	0.9
51.29033	1.0
53.03941	5.6
55.12449	1.0
65.03940	1.5
66.82017	0.9
67.05486	4.9
70.77182	2.3
71.01331	2.5
75.04463	2.3
77.03918	2.6
79.05477	4.7
81.03395	1.0
81.07045	2.3
91.05484	6.6
91.25793	1.0
95.01310	1.6
95.04964	100.0
103.03933	2.4
105.03381	1.7
105.04488	1.7
109.06479	3.1
119.04926	8.7
123.00780	3.4
123.04424	25.4
133.02824	2.5
135.04451	1.8
137.05989	5.6
140.10355	1.0
147.04382	7.0
151.03899	89.9
152.04202	1.8
164.74538	1.1
165.05473	74.2
175.03908	4.3
183.06557	1.7
193.04974	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0757
Annotation	Calaminthone
Peak:m/z	Relative Intensity
51.02387	0.4
53.03944	3.2
55.01872	0.7
55.05508	0.8
57.03444	0.7
59.04987	1.1
61.62754	0.4
65.03940	1.6
67.05502	6.0
69.03437	0.5
69.07055	0.5
70.60703	0.9
70.61037	0.9
71.01357	0.9
71.04994	1.9
77.03909	0.5
79.01862	1.5
79.05495	7.3
81.03424	1.7
81.07047	2.7
83.04987	4.6
85.02910	2.0
85.06539	1.3
91.05479	7.9
92.05812	0.5
93.07053	1.3
94.04191	1.8
95.01314	1.5
95.04968	32.6
95.08617	1.4
97.02934	0.8
97.06526	0.5
98.02502	0.5
99.04468	2.0
103.03960	0.6
103.05478	0.7
105.03381	1.8
105.04464	1.1
105.07042	1.3
107.04960	3.2
107.08601	1.7
109.02891	1.7
109.06517	6.4
109.29578	0.4
111.04442	5.5
113.06039	0.7
119.04917	2.9
119.08562	0.8
121.02864	1.1
121.06498	1.2
121.10101	0.6
122.03600	0.6
123.00790	3.0
123.04433	11.0
123.08076	2.1
123.18002	0.6
125.02282	0.5
125.05957	1.2
127.03931	1.1
127.07540	3.3
133.02824	1.2
135.04399	3.2
135.08052	0.7
135.26476	0.4
137.05975	5.0
139.03899	96.2
140.04282	1.5
141.05467	1.4
147.04413	2.1
147.06313	1.6
149.02325	4.6
149.09621	0.6
150.03093	1.2
151.03905	22.5
151.07468	1.1
153.05458	0.5
153.12709	0.6
155.06987	1.1
163.03857	1.3
165.05472	100.0
166.05739	1.2
167.03465	0.5
167.05824	0.5
167.10614	0.7
168.93533	0.5
169.84831	0.5
175.03848	1.8
179.07179	0.9
179.08934	3.3
180.04149	0.9
181.04950	6.4
183.06525	5.5
193.04971	4.9
197.06012	0.7
197.07954	0.8
207.06548	1.6
207.13771	0.8
225.07529	5.5
225.09407	1.4
225.14925	1.0
226.10738	0.6
242.27284	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.009
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.8
58.20705	0.7
63.76777	0.6
64.72830	0.6
68.13462	0.6
69.88401	3.7
82.99847	1.2
87.74791	0.6
101.00884	16.1
102.81146	0.7
103.00668	0.8
116.98778	1.1
119.01921	73.8
120.02072	1.9
124.02473	0.8
131.64828	0.7
134.99878	3.4
137.02956	19.7
140.98796	0.8
142.03505	15.1
143.03665	0.8
153.00969	1.7
158.99870	4.3
160.04541	4.3
161.02945	1.6
165.05084	1.0
175.02956	1.0
177.00957	100.0
178.01068	8.5
178.98717	0.8
179.00780	1.4
179.04024	1.9
179.49435	2.1
179.99454	1.3
182.99950	1.3
187.99252	2.2
188.49391	0.8
190.49547	2.4
190.99585	0.9
193.04016	1.7
195.01997	2.9
196.99661	0.9
199.50063	11.5
200.00107	3.5
200.02489	1.9
201.00946	4.0
201.02588	1.5
202.00307	0.8
202.05695	0.8
211.00923	2.1
211.50853	1.3
216.95270	0.8
217.04068	11.8
219.02008	88.6
220.02095	10.4
221.02139	1.1
225.00648	3.3
238.95575	1.8
242.03568	3.2
243.01944	12.2
244.02324	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.6
53.10381	0.5
55.05510	1.0
55.93528	0.9
56.05039	1.1
60.05341	0.6
67.05510	1.2
68.71945	0.7
69.07073	0.9
71.04983	1.0
71.14387	1.7
79.05502	1.7
81.07062	2.1
83.04995	1.1
84.96094	0.7
85.06559	0.7
91.05476	0.9
93.07058	1.0
95.04978	2.1
95.08606	1.3
99.04433	1.2
101.00880	10.5
102.00909	0.7
102.03096	0.5
102.83395	0.5
105.03391	2.1
105.07067	0.7
107.04988	1.4
107.08553	0.6
108.05746	1.1
109.02905	0.6
109.06525	0.7
110.30496	0.6
111.71597	0.7
118.03525	1.7
119.01913	65.7
119.08569	0.9
120.01971	3.3
121.01683	0.7
123.04399	0.8
123.08109	0.7
125.05974	0.7
131.01938	0.7
133.10133	1.0
134.99860	3.2
137.02948	29.9
137.05925	0.8
138.03078	1.1
139.03923	2.9
139.11137	0.6
140.98770	0.9
142.03485	9.6
145.48659	1.3
149.09598	0.5
153.00954	3.4
155.38577	0.7
158.99846	4.2
159.06125	0.8
160.04582	5.2
161.02956	2.8
161.04704	0.6
165.05225	1.2
176.02614	0.9
177.00945	100.0
178.01044	10.8
178.03819	0.9
179.00591	3.2
179.03975	6.8
182.99840	1.6
183.06210	1.2
184.02122	1.0
184.04601	1.7
193.03951	1.3
195.01996	3.0
195.94360	0.8
200.02512	2.6
201.00983	3.2
201.02385	3.4
201.07262	0.9
202.00922	0.8
202.02567	0.9
202.05577	1.7
203.03986	0.9
207.01315	1.0
217.04062	11.0
218.03819	1.0
219.01985	84.2
220.02084	17.8
220.04164	1.1
221.01736	3.2
225.00929	2.5
225.02635	1.3
225.04282	1.1
225.07477	0.8
225.09508	1.2
225.14816	1.4
226.09738	0.9
227.04102	0.9
236.42821	0.7
237.95612	1.3
242.03545	4.2
243.01872	11.1
243.10852	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.169
Annotation	Rumphellolide F
Peak:m/z	Relative Intensity
53.03935	5.2
54.82738	1.1
55.01854	3.0
55.05269	1.6
55.05510	18.9
57.03421	4.1
57.07064	3.1
59.04987	1.1
65.03925	4.2
67.05501	71.4
69.03419	2.9
69.07064	15.2
71.04984	3.4
71.25727	2.2
73.02861	0.9
79.05023	1.8
79.05489	36.9
81.03410	14.3
81.07051	99.8
83.04971	11.5
83.08602	8.5
85.02879	2.6
85.06532	3.6
91.05463	19.4
93.07038	34.3
94.04197	1.5
95.04962	70.0
95.08599	100.0
96.05307	1.3
96.08946	1.2
97.02902	1.2
97.06521	7.9
97.10149	2.8
105.07020	11.3
107.04941	5.8
107.08584	22.6
109.06519	6.8
109.10146	28.5
111.04466	2.0
111.08073	3.9
117.06995	5.8
119.08578	9.5
121.06477	5.4
121.10136	22.5
123.08058	7.1
123.11685	4.2
125.05943	1.7
125.09628	2.1
127.07577	1.0
129.07048	1.1
130.07777	1.3
131.04915	1.4
131.08546	11.6
133.10129	4.7
135.04404	1.9
135.08060	5.3
135.11665	7.5
137.09583	1.9
139.07594	1.6
139.11096	1.2
141.06946	1.4
145.06517	1.1
145.10106	11.6
147.08018	2.0
149.02365	5.5
149.09592	5.4
149.13295	1.8
153.09088	1.6
159.11714	6.5
161.09616	1.7
161.13246	2.9
163.03871	2.6
163.07495	1.2
163.11189	10.2
163.14810	5.4
167.10640	1.4
169.10106	1.2
175.14816	1.4
177.12729	3.8
177.16412	2.7
181.04771	1.3
181.08649	1.6
187.11197	3.5
187.14844	10.2
188.62616	1.2
205.12283	2.4
205.15907	5.0
223.05905	5.4
223.07927	1.3
223.11523	1.9
223.13315	30.7
223.16823	22.2
223.20328	1.2
225.04274	5.3
227.02136	1.6
242.90706	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1327
Annotation	Aristelegone D
Peak:m/z	Relative Intensity
50.65403	2.2
53.03935	7.1
54.75716	2.6
55.01857	5.9
55.05501	10.7
57.07064	3.7
59.04995	11.9
65.03935	4.0
67.05506	21.8
69.03427	20.5
69.07052	8.0
69.86040	10.8
71.04980	8.4
78.34238	2.2
79.05479	19.8
81.03394	6.0
81.07053	15.7
83.04975	25.3
83.08623	3.8
85.02902	3.8
85.06556	3.8
91.05476	43.8
93.07037	91.0
95.04961	24.2
95.08624	11.9
97.02911	3.2
97.06534	8.4
97.07652	2.3
97.73843	2.5
98.97572	8.3
103.05473	7.4
105.07031	30.4
107.04957	14.3
107.08598	32.8
109.06513	17.2
109.10144	9.9
111.04433	4.0
111.08061	8.3
113.05937	5.4
115.05409	3.2
116.98614	6.6
117.07014	13.7
119.04932	5.8
119.08566	26.8
121.02863	2.7
121.06496	100.0
121.10133	24.9
123.04465	3.5
123.08053	6.5
125.05963	3.2
125.09615	9.3
127.07574	6.9
129.07005	11.2
131.04900	4.8
131.06883	2.4
131.08560	15.5
133.06454	7.1
133.10141	14.0
135.04414	8.3
135.08044	19.0
135.11656	12.4
137.05957	5.7
137.09595	9.5
139.03859	4.1
139.07570	11.0
142.07762	5.4
143.08499	2.9
144.09328	8.4
145.06479	10.0
145.10080	20.8
147.04427	4.8
147.08044	9.2
147.11665	7.0
149.02357	15.6
149.05972	9.9
149.09608	66.7
149.13251	3.6
151.03931	8.0
151.11189	4.9
153.05505	3.5
153.09062	12.3
157.08766	3.1
157.10101	12.4
159.07996	4.2
159.11659	31.2
161.05902	3.4
161.09618	8.2
162.03088	2.4
163.03879	5.6
163.07539	7.5
163.11154	22.7
164.07024	6.4
165.05486	3.0
165.09108	7.0
172.08838	6.6
175.11189	28.2
177.00777	3.8
177.05455	10.3
177.09117	3.9
177.12712	18.8
179.06906	3.3
179.10628	8.6
181.08577	4.6
187.11140	27.6
191.03436	3.3
193.12239	4.6
195.06462	4.8
198.40685	2.2
205.04976	4.0
205.08702	5.1
205.10475	2.4
205.12262	33.4
208.03568	3.1
223.05966	13.9
223.07899	3.2
223.09645	7.3
223.13435	51.0
223.16707	4.4
223.62187	3.7
225.04306	19.7
227.02168	6.9
230.91679	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	223.1328
Annotation	Placidene C
Peak:m/z	Relative Intensity
53.03936	0.7
55.01863	1.2
55.05277	0.4
55.05511	5.7
57.03435	0.3
57.07057	0.7
60.22074	0.3
65.03939	0.9
67.05507	5.9
69.03414	0.6
69.07066	6.1
71.04984	0.9
71.51878	0.4
71.52264	0.4
79.05499	3.8
81.03417	11.4
81.06606	0.4
81.07059	5.5
83.04971	1.6
83.08615	2.4
85.02898	0.4
85.06535	0.8
87.08144	0.3
91.05465	2.8
93.07034	2.9
94.04184	3.5
95.04967	17.6
95.08610	3.1
97.06505	0.9
103.05492	0.3
105.03381	0.4
105.07012	1.9
107.04947	5.2
107.08595	1.6
109.06512	1.6
109.10149	0.9
111.08086	0.9
117.07011	1.5
119.08586	1.2
121.06489	1.0
121.10128	0.9
121.32235	0.3
123.04478	0.3
123.08059	1.2
123.11705	0.4
125.09584	0.5
129.07002	0.3
131.08534	1.2
135.08066	0.9
135.11687	0.7
137.09601	0.5
143.08589	0.5
145.06487	1.2
145.10139	1.6
147.08005	0.4
149.02357	2.5
149.09558	0.7
149.13239	0.4
154.28564	0.3
159.11667	0.8
161.09758	0.4
162.03078	0.6
163.11153	1.2
169.10112	0.4
173.42500	0.3
176.44810	0.3
177.12813	0.4
181.08563	0.5
187.09290	0.3
187.11101	0.5
190.02655	0.4
193.10236	0.4
195.11725	0.3
205.12254	1.8
208.03653	0.4
208.12334	0.5
223.06009	1.8
223.13280	100.0
223.37743	0.3
224.13618	2.7
225.04236	1.1
227.02361	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1327
Annotation	(+/-)-6-Hydroxy-3-oxo-alpha-ionone
Peak:m/z	Relative Intensity
53.03936	2.6
55.01858	3.4
55.05510	4.4
57.07065	1.2
59.04992	1.1
65.03932	2.9
67.05502	8.6
69.03090	1.5
69.03429	19.8
69.07045	3.1
70.12137	0.8
79.05492	7.5
81.03414	1.2
81.06611	0.8
81.07056	12.4
83.04980	9.1
85.02898	2.1
85.06513	0.9
87.04466	30.4
88.02538	0.9
91.05479	18.9
92.02657	0.8
93.03371	1.3
93.07043	18.0
94.04145	1.6
95.04970	9.7
95.08629	4.6
95.09108	1.0
97.02886	2.5
97.06525	2.9
101.02369	3.9
103.05449	2.6
105.03387	1.1
105.07026	7.4
106.81657	0.8
107.04931	9.0
107.08608	9.2
109.06516	54.2
109.10162	8.1
110.07341	2.0
111.04420	2.4
111.08050	4.0
115.05420	1.5
117.07008	5.1
119.06052	3.5
119.08569	7.9
121.02816	1.8
121.06506	49.2
121.10136	7.8
122.07291	9.9
123.08039	2.3
123.11718	1.3
125.05980	3.2
127.44699	0.8
131.04941	1.6
131.08534	1.1
133.06474	1.0
133.10112	1.9
135.04430	1.3
135.08084	5.9
135.11681	3.5
137.06013	1.7
137.09613	100.0
138.09898	1.2
139.03909	3.3
139.07533	2.6
139.11124	1.5
145.06462	1.6
145.10124	3.0
147.04361	1.1
147.08038	2.4
147.11661	1.3
149.02307	3.1
149.05980	8.4
149.09624	7.2
153.05556	0.8
156.54771	0.9
157.10126	0.9
159.11687	5.1
161.06026	1.1
161.09648	0.9
162.06877	1.3
163.03894	1.8
163.07530	4.6
163.11157	7.1
165.05434	2.0
167.03391	2.6
167.07129	1.4
173.06012	1.9
175.11147	1.6
177.12749	6.4
179.09064	1.3
181.04944	1.8
181.08583	4.7
181.12233	1.4
187.11163	2.7
190.06102	0.9
191.07037	1.6
195.06476	2.9
195.08034	1.1
205.08551	1.4
205.12221	3.5
223.05899	1.6
223.07680	1.4
223.09550	4.3
223.13257	14.4
225.04265	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1328
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03134	0.2
53.03932	0.5
55.01878	1.1
55.05511	4.1
57.02484	0.2
59.86489	0.2
63.95472	0.2
65.03936	1.0
67.05508	5.7
67.69286	0.2
69.03429	0.4
69.07066	3.5
69.44817	0.4
69.45223	1.3
71.04996	1.5
76.49956	0.2
79.05494	4.3
81.03416	3.2
81.07055	8.2
81.07536	0.4
83.04977	1.8
83.08634	1.3
85.02898	2.6
85.06543	0.3
87.04461	0.3
91.05479	3.8
93.06473	0.4
93.07037	4.0
95.04964	100.0
95.08601	4.1
96.05302	1.2
97.06529	0.9
98.21500	0.3
99.08079	0.2
103.05449	0.5
105.07027	2.6
107.04932	1.0
107.08594	2.0
109.06514	3.2
109.10105	0.2
115.05412	0.2
117.07016	2.5
119.08583	3.3
121.06497	2.2
121.10143	1.9
123.08064	2.9
128.06210	0.4
129.07042	1.1
131.08592	0.9
133.10164	0.7
135.08014	1.2
135.11684	2.9
141.06970	0.3
141.09171	0.4
143.08554	0.9
145.06476	0.4
145.10118	5.1
147.08058	3.0
149.02365	0.3
149.09586	0.3
154.07788	0.3
159.08127	0.2
159.11670	1.6
161.09572	1.0
163.11172	12.7
164.11545	0.3
169.10156	0.8
177.12691	1.0
181.08586	0.3
187.11169	1.8
205.12254	1.9
210.57066	0.2
223.13251	3.4
225.04300	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.076
Annotation	6-Hydroxyindolelactate
Peak:m/z	Relative Intensity
54.75256	0.3
56.96561	0.6
67.05508	0.6
68.82127	0.4
69.83350	1.2
69.83742	0.7
70.06589	0.5
79.05489	0.5
79.50378	0.4
85.02933	0.5
91.05486	3.4
93.07021	0.5
98.21479	0.4
98.97615	0.5
102.04836	0.4
103.05462	3.2
105.07000	0.8
105.16519	0.4
106.06553	1.2
107.04960	0.9
107.06860	0.4
115.05458	10.7
117.05744	1.9
118.06547	7.1
120.08102	3.3
121.06560	0.4
125.05994	0.9
130.06529	100.0
130.33377	0.4
131.04929	3.8
131.06860	5.4
132.04454	2.6
132.08067	1.6
133.04826	1.6
133.06493	15.2
134.05984	0.6
134.06854	0.6
143.06020	2.4
144.08020	0.5
146.06023	9.8
148.03835	0.4
148.07565	10.5
148.08710	0.5
149.05986	0.5
153.05440	0.7
158.06018	71.7
159.06360	6.1
160.07631	1.0
161.05992	0.5
162.05437	1.1
162.09132	0.6
175.08691	0.8
176.07088	4.3
176.09003	6.4
177.07518	0.5
178.08633	10.1
186.05490	5.3
187.05879	0.5
190.08623	0.8
204.06558	10.6
205.06947	1.1
207.13750	0.6
222.07622	4.5
222.11261	31.9
223.06128	0.5
223.11713	0.5
225.04298	0.8
228.27838	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1899
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03929	1.6
55.01862	0.8
55.05504	4.6
57.07054	1.9
58.79789	0.7
60.92611	0.7
65.03903	0.7
65.16761	0.6
67.05497	4.5
69.07066	3.3
71.04985	7.3
71.49835	0.7
71.50176	0.9
79.05492	6.7
81.07053	19.5
83.04960	1.0
83.08603	2.5
85.06535	1.1
91.05467	6.1
93.07037	14.9
95.04951	1.8
95.08607	9.0
96.95416	0.7
97.06521	0.8
97.10195	0.6
99.08088	1.4
103.05468	2.1
105.07029	13.3
107.08589	19.7
109.06532	2.0
109.10157	8.0
111.08074	0.9
111.28836	0.6
115.05424	2.9
116.06241	1.0
117.07027	4.7
118.04097	0.7
119.04912	0.9
119.07726	1.0
119.08578	16.7
121.06552	0.6
121.10114	3.7
123.08059	1.2
123.11661	5.2
125.09672	1.0
127.11195	2.4
128.06200	1.8
130.98439	0.7
131.04919	1.6
131.08525	1.0
133.06490	4.8
133.10120	8.0
134.07259	0.9
135.08011	0.8
135.11681	34.6
137.05989	1.0
137.09599	1.7
137.13269	0.9
143.04866	0.7
143.08531	2.3
145.06444	1.6
146.06013	1.6
147.04410	1.1
147.08052	1.4
147.11687	6.8
149.02315	2.5
149.13283	3.3
150.05484	0.8
151.03886	1.8
151.05838	1.0
151.11140	1.5
152.07050	0.8
153.07332	1.1
159.11682	1.0
160.05215	1.4
161.05986	5.8
161.13258	5.5
161.88271	0.6
162.06740	5.2
163.14803	1.6
165.09103	1.5
165.12686	0.9
171.08052	1.1
175.07523	6.1
175.11053	0.7
175.14732	1.0
176.06877	0.7
177.09097	100.0
177.16342	1.2
178.09412	2.2
189.05472	2.0
193.06863	0.7
193.08594	2.8
193.86116	0.7
196.47310	0.6
203.07051	1.2
203.10651	2.1
203.14297	0.8
203.17941	12.3
206.16237	0.8
221.04257	1.3
221.06113	1.2
221.08020	1.6
221.11748	1.0
221.15611	3.1
221.19002	15.0
221.21973	2.4
222.11255	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	221.19
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03932	1.7
55.05507	9.6
57.07059	3.7
65.03927	1.4
67.01849	1.0
67.05502	5.6
68.99802	1.4
69.07058	8.7
69.85889	5.5
71.04993	16.5
79.05492	12.8
81.07055	39.9
83.04973	1.6
83.08624	5.6
85.06520	1.3
91.05471	9.1
93.07044	31.1
95.04951	1.2
95.08606	22.5
96.34846	0.9
97.06506	1.0
97.10163	1.8
99.08074	4.1
102.81522	0.9
105.07028	19.9
105.07704	0.7
107.08595	57.9
109.06512	2.9
109.09476	1.7
109.10156	17.7
111.04455	2.0
111.08085	2.2
111.11684	1.3
113.09641	1.0
115.05489	2.0
117.07017	1.6
119.08583	28.9
121.06512	1.0
121.10142	9.7
123.08063	1.2
123.11699	14.7
127.11202	4.0
131.04944	1.7
133.06482	3.6
133.10127	19.3
135.11691	100.0
136.12025	1.9
137.09592	2.8
137.13237	2.7
145.10149	2.1
147.11694	17.8
149.13287	6.3
151.11200	2.7
155.03403	1.8
160.05185	1.3
161.05927	6.8
161.13239	11.8
163.14812	5.2
165.12750	2.7
169.67413	1.0
175.07596	2.3
175.14790	2.5
177.09105	11.3
177.16380	2.5
179.03392	21.9
179.14262	0.9
180.03775	1.3
189.05450	2.6
193.08588	2.2
203.17952	28.9
204.18480	1.1
221.04454	46.3
221.08005	2.7
221.11589	1.1
221.15468	1.9
221.19008	36.6
222.04788	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1899
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.00301	1.2
53.03928	2.6
55.05512	11.3
57.07053	3.2
67.05503	9.5
69.07063	14.2
70.64028	3.1
71.04993	25.1
73.06558	1.3
77.06824	1.3
79.05486	12.9
81.07055	57.6
83.04980	1.7
83.08605	5.0
85.06519	2.1
87.88564	1.0
91.05479	12.5
93.07040	36.8
95.04960	2.5
95.08606	26.8
97.06532	2.2
97.10152	2.9
97.17962	1.0
99.08077	3.6
105.07028	29.9
107.08593	61.8
109.06496	2.5
109.10155	23.2
111.08070	2.4
113.09637	2.4
115.05369	1.0
117.07000	1.5
119.08580	39.0
121.10136	11.6
123.08069	4.0
123.11709	14.4
125.09658	1.2
127.11176	3.8
131.04857	1.4
131.08493	1.4
133.06464	2.2
133.10130	20.9
135.11688	100.0
136.12077	1.3
137.09590	3.5
137.13211	3.7
139.11176	2.0
147.11696	19.2
149.13237	9.1
151.11145	3.1
158.65019	1.1
160.54877	1.0
161.05972	3.2
161.13261	10.1
163.14836	6.0
165.12759	2.9
175.07561	2.4
175.14821	3.5
177.09131	6.9
177.12726	3.4
177.16414	3.0
191.48778	1.0
193.08641	2.3
203.17941	36.3
210.39104	1.2
210.41037	1.1
221.06158	1.3
221.19002	52.3
222.11343	1.7
222.19237	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1898
Annotation	Helianthol A
Peak:m/z	Relative Intensity
50.00205	1.7
55.05502	13.0
56.48451	1.9
57.07057	5.5
60.22652	1.6
67.05513	11.1
68.75051	1.6
69.07068	13.5
69.85174	4.2
69.85583	5.2
71.04610	2.2
71.04989	26.8
71.43246	1.8
74.10807	2.1
79.05491	23.4
81.07057	67.6
81.07538	4.4
82.58105	1.6
83.04978	3.2
83.08604	5.7
85.06541	3.0
88.07618	1.9
91.05466	16.2
93.07044	42.9
95.04958	2.8
95.08063	2.9
95.08612	32.4
97.06528	3.5
97.10150	2.2
99.08086	4.7
103.05457	1.9
105.07032	34.0
107.07884	3.8
107.08591	60.4
109.06520	2.2
109.09460	3.1
109.10149	29.0
111.04375	1.8
111.08092	2.9
115.05444	4.7
117.06998	6.4
119.08585	52.3
120.08876	1.8
121.10143	12.4
123.08047	2.2
123.11713	18.4
127.11215	5.5
128.06184	2.3
131.04959	2.5
133.06493	3.7
133.10130	26.1
135.11690	100.0
136.12033	1.8
137.06075	2.1
137.09612	2.5
139.11218	2.1
141.79713	1.8
143.04916	2.5
143.26645	1.6
145.10164	2.0
147.11699	19.5
149.12219	2.2
149.13211	9.0
151.03915	19.0
151.05019	2.5
151.11142	4.7
159.11963	1.7
160.05162	2.4
161.05951	6.9
161.09615	1.8
161.13274	17.8
162.06752	2.9
163.14786	2.3
165.07034	2.2
165.09096	1.9
165.12671	3.2
175.07523	9.2
175.14792	3.4
177.09114	43.8
177.10648	2.2
177.16336	2.5
178.09492	1.6
191.07057	6.7
193.08585	6.0
194.70677	1.8
203.07034	4.1
203.10649	4.4
203.17944	32.9
206.16200	2.9
221.08011	4.7
221.15456	3.3
221.19008	44.6
221.22005	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	221.1898
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03933	3.2
55.05516	10.4
57.07062	4.1
60.11750	1.8
63.57101	1.8
67.05494	11.3
68.13568	1.8
69.07066	11.9
71.04988	19.6
71.49770	1.6
71.50158	2.2
79.05492	17.0
79.99534	1.7
81.07053	61.9
83.04987	3.7
83.08608	4.1
91.05469	18.9
93.07035	39.2
95.04955	2.8
95.08600	27.3
97.06529	2.7
97.10172	3.0
99.08071	3.1
103.05433	2.5
105.07026	32.3
107.04954	1.8
107.08588	57.3
109.06515	4.7
109.09473	2.2
109.10152	21.3
111.08074	3.3
115.05417	4.9
117.07033	8.6
118.06532	2.0
119.06881	3.5
119.08577	47.6
121.06515	2.2
121.10133	10.7
123.08064	2.5
123.11683	15.1
125.09644	2.3
127.11135	2.7
131.04939	6.3
131.08530	3.0
133.06491	6.9
133.10124	24.3
134.07225	2.5
135.08081	2.6
135.11688	92.1
136.12003	2.3
137.09616	3.5
137.13202	3.2
143.04869	2.0
143.08528	2.9
145.06482	3.4
146.06047	2.5
147.04430	2.1
147.08031	7.5
147.11693	17.1
149.02327	7.0
149.13252	6.7
151.03870	5.6
151.11174	5.7
159.11642	2.0
161.06015	10.0
161.09630	2.4
161.13249	11.8
162.06743	7.2
163.09534	2.8
163.14812	3.4
165.07030	4.0
165.09126	2.9
165.12659	1.8
175.07529	6.2
175.14828	4.6
177.09102	100.0
177.14661	7.2
177.16219	3.1
178.09607	2.4
193.08569	3.2
193.15923	2.0
203.06989	3.9
203.17940	32.0
206.16269	2.3
221.06219	2.3
221.08105	5.7
221.11725	3.3
221.15340	6.2
221.17249	33.1
221.19022	39.4
222.07617	3.3
222.11284	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	221.19
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03918	1.3
55.01863	1.1
55.05513	10.9
57.03407	1.1
57.07062	3.4
59.04988	1.4
65.03952	1.2
67.05511	9.5
69.03417	1.2
69.07069	13.4
70.30973	1.4
70.31321	3.1
71.04995	18.9
77.03893	1.0
78.29105	0.8
79.05495	17.0
81.07056	53.7
82.07360	1.2
83.04990	2.5
83.08598	5.7
83.28068	0.9
85.06544	2.0
86.09711	1.7
91.05476	16.3
93.07047	37.3
95.04951	2.4
95.08611	28.1
97.06539	2.0
97.10179	2.4
99.08099	4.8
102.09562	1.1
103.05473	3.2
105.04536	1.3
105.07034	30.6
107.05000	1.4
107.08595	59.4
109.06514	3.4
109.10156	23.1
111.08065	3.0
111.11709	1.0
113.09651	1.1
114.91617	0.9
115.05450	4.1
117.06982	3.3
119.08580	33.9
121.06516	3.2
121.10144	9.5
123.08067	2.8
123.11713	18.1
125.09644	1.8
127.11181	4.1
129.06973	1.4
131.04929	4.1
131.08556	1.1
132.05685	1.3
133.06522	8.5
133.10127	22.1
135.08096	1.7
135.11691	100.0
137.05995	2.9
137.09618	3.9
137.13239	3.1
139.11133	1.5
143.04936	2.9
143.08604	1.7
145.06467	2.1
145.10139	4.0
146.03632	1.1
147.04367	1.0
147.08037	2.7
147.11690	21.8
149.13271	7.8
151.03934	1.5
151.07523	1.7
151.11183	4.2
160.05219	2.0
161.06006	13.4
161.09607	1.8
161.13260	13.0
162.06677	1.6
163.07515	1.6
163.14847	4.1
165.07027	2.5
165.12741	2.3
175.07565	7.0
175.11255	2.8
175.14862	2.6
177.09125	28.9
177.16425	2.5
178.09479	1.3
179.03450	2.8
179.07074	1.3
185.13068	1.3
189.05522	2.5
189.09061	1.8
191.09682	1.1
193.06950	1.3
193.08614	6.5
193.55377	1.2
203.07034	2.6
203.10878	1.3
203.17958	32.6
206.05663	1.3
206.16277	2.0
221.04271	4.8
221.06177	1.9
221.07845	5.7
221.11607	3.1
221.15375	4.5
221.19023	41.8
222.11266	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	221.1535
Annotation	Glutinosone
Peak:m/z	Relative Intensity
53.03928	3.5
53.22243	1.3
53.95116	1.3
55.01875	11.8
55.05510	34.3
57.07079	7.1
58.55701	1.2
59.04984	2.5
65.03934	3.0
67.05143	1.5
67.05504	24.2
69.03430	72.9
69.07064	19.0
70.40426	6.4
71.04974	6.4
79.05489	39.0
81.03410	2.3
81.07056	86.2
83.04498	2.4
83.04975	37.7
83.05714	1.7
83.08614	10.3
85.06531	3.4
91.05469	25.5
93.07038	23.8
95.04962	15.6
95.08605	33.4
97.06506	3.9
97.10141	4.3
99.04444	2.3
99.08066	1.9
103.05460	6.0
105.04506	1.8
105.07026	36.1
107.04948	10.3
107.08593	27.7
109.06513	35.6
109.10153	43.4
110.07280	5.5
111.04442	2.4
111.08085	24.1
115.05449	8.0
117.07024	10.1
119.04920	4.1
119.08582	48.6
121.06518	13.4
121.10133	31.4
122.07270	4.5
123.08066	34.1
123.11686	6.5
125.09595	5.2
128.06233	10.4
129.06981	4.7
131.04938	6.1
131.08540	5.3
132.05675	3.1
133.06459	11.8
133.10133	27.8
135.08067	7.4
135.11682	14.1
137.05972	57.1
137.09607	41.6
138.06302	2.2
138.10411	10.2
139.11153	3.9
142.07751	1.5
143.04921	3.8
143.08553	10.7
145.06459	3.6
145.10117	9.3
147.04378	3.8
147.08054	11.8
147.11684	9.6
149.05930	1.8
149.09637	7.8
149.13249	3.9
151.03812	2.2
151.07553	18.8
151.11198	4.2
151.14807	3.1
157.10110	2.0
159.04419	2.0
159.11711	4.6
160.05182	5.9
161.05981	26.4
161.09628	8.8
161.13266	19.7
162.06729	3.4
163.07561	2.0
163.11174	22.8
165.05522	2.1
165.06918	3.3
165.09137	9.2
170.10858	2.8
171.04427	2.9
171.08076	7.9
173.06018	2.1
174.06735	3.8
175.07565	17.2
175.11150	2.4
175.14795	13.6
177.05609	3.2
177.09109	82.5
177.12720	3.3
178.09508	2.6
179.10695	2.5
179.14333	3.7
185.13287	2.8
188.04639	2.0
188.08304	5.6
189.05423	3.5
189.09111	2.3
191.06992	3.3
192.15114	3.9
193.06743	2.0
193.08513	7.5
193.15865	18.8
203.06998	5.3
203.10703	18.5
203.14319	9.7
203.17831	3.0
206.16196	3.3
221.04416	4.7
221.06142	2.1
221.07919	10.5
221.11685	6.4
221.15358	100.0
221.18822	6.4
222.11284	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	221.1536
Annotation	Oblongolide
Peak:m/z	Relative Intensity
51.02372	1.5
53.03940	4.6
55.01868	2.2
55.05512	9.7
56.96553	2.0
57.07062	2.3
59.04988	1.4
59.69113	0.9
64.49100	1.0
65.03939	1.5
65.29392	1.1
67.05178	1.7
67.05504	18.2
69.07067	13.7
71.04983	4.1
71.08624	0.9
71.51197	1.7
73.06554	1.9
77.03920	1.7
79.05494	64.9
81.03441	1.4
81.07056	39.3
83.04987	2.4
83.08610	4.4
85.06537	4.5
91.05482	41.5
93.07041	100.0
94.07384	1.3
95.04963	10.5
95.08601	21.5
97.06528	3.8
97.48672	1.0
105.04470	2.2
105.07032	39.9
107.04958	1.9
107.08589	74.2
109.06506	7.1
109.10151	3.8
111.08067	1.9
117.07014	6.2
119.08575	35.9
120.08870	1.1
121.06502	4.3
121.10133	20.6
123.04472	1.7
123.08062	6.4
123.11697	1.5
127.07576	1.6
128.06302	1.3
129.07007	4.6
131.08586	7.6
133.06523	1.8
133.10144	11.0
135.08040	2.3
135.11746	1.5
137.05957	2.4
137.09578	2.2
143.08551	9.5
144.09285	1.2
145.10152	2.4
147.08052	4.6
147.11684	4.1
151.07472	1.6
153.09094	1.6
157.10121	4.0
159.11678	8.7
161.06018	2.1
161.09579	6.2
161.13255	33.5
165.09134	3.2
166.76782	1.0
175.07530	1.5
175.11157	6.1
175.14790	9.1
177.09045	1.6
179.10645	1.9
185.11658	1.6
185.13242	17.5
187.82712	1.0
199.06406	1.3
203.10843	1.8
203.14313	13.1
203.17986	1.5
206.16208	4.1
221.04491	2.6
221.08055	1.5
221.11700	3.4
221.13503	1.7
221.15369	31.6
221.18791	4.4
222.07617	1.1
222.18562	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
60.50913	0.3
67.05505	0.3
69.03428	0.3
69.69668	1.4
79.05482	0.4
81.07042	0.4
91.05453	1.1
93.07029	0.3
95.08568	0.3
103.05465	0.3
105.07014	0.7
115.05453	1.7
116.06242	0.7
117.07021	5.1
118.06527	0.3
119.04925	0.3
119.08570	0.8
121.06447	0.5
128.06224	1.2
132.05710	0.4
133.06508	1.4
133.10062	0.2
133.76924	0.2
134.07251	1.0
135.08035	0.7
137.05977	0.4
143.04900	0.3
143.08499	1.1
144.05721	0.5
145.06480	0.9
147.08061	0.5
149.09604	0.3
157.26166	0.2
160.05199	0.4
161.06027	1.0
162.06749	6.0
165.07028	0.6
168.53761	0.2
171.08069	0.6
175.07567	3.9
176.14328	0.3
177.09108	100.0
178.07886	0.4
178.09468	2.0
193.08578	0.4
193.10135	0.5
203.06935	0.3
203.10649	0.5
221.06096	0.4
221.08066	0.8
221.09737	0.7
221.11613	0.4
221.17227	2.7
221.18871	0.2
222.11266	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67683	0.2
50.85057	0.2
53.03922	0.2
55.05493	0.7
56.27577	0.2
58.70529	0.2
67.05500	0.5
68.44010	0.2
69.07058	0.5
70.63408	0.6
71.04995	1.1
79.05496	1.1
81.07060	2.7
91.05475	1.1
93.07037	1.3
95.08589	0.8
99.86956	0.2
105.07030	1.4
107.08598	2.5
109.06507	0.2
109.10134	0.8
112.54613	0.2
115.05470	1.1
116.06232	0.8
117.06253	0.2
117.07024	4.2
119.04945	0.4
119.08587	1.9
121.06496	0.3
121.10130	0.5
123.11689	0.6
128.06207	1.0
133.06483	0.7
133.10139	1.2
134.07254	1.1
135.08046	0.8
135.11691	4.5
137.09630	0.2
143.08543	1.1
144.05685	0.6
145.06470	1.0
147.04382	0.2
147.08067	0.3
147.11682	0.8
149.02347	0.7
149.09644	0.2
160.05150	0.2
161.05983	0.4
161.13220	0.6
162.06761	5.2
171.08029	0.6
175.07568	2.3
175.14790	0.2
175.75409	0.2
177.09105	100.0
178.09401	1.6
202.92273	0.2
203.10681	0.3
203.17944	1.2
221.11714	0.4
221.15463	0.3
221.19020	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	221.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.3
59.99112	0.2
64.49685	0.2
65.64236	0.2
67.05490	0.3
71.49890	0.2
79.05488	0.5
81.06369	0.2
81.07019	0.5
82.51772	0.2
91.05457	1.2
93.07027	0.6
95.08609	0.2
103.05476	1.4
105.07018	1.7
106.07780	0.2
107.08605	0.3
109.06530	0.2
114.43154	0.2
115.05449	2.8
116.06207	0.8
117.07021	4.8
119.04951	0.6
119.08583	0.7
121.06487	0.5
121.10175	0.3
128.06236	1.3
129.07018	0.3
131.04938	2.0
131.08516	0.3
132.05672	0.4
133.06476	1.7
133.10089	0.2
134.03627	0.2
134.07231	0.8
135.08028	0.8
137.05994	0.5
139.95265	0.2
143.04942	2.1
143.06020	0.3
143.08568	0.8
144.05702	0.9
145.06497	1.3
147.04379	0.4
147.08064	0.7
148.05194	0.3
149.06018	0.3
149.09613	0.2
151.03860	0.6
151.07527	2.8
151.10991	0.2
159.08025	0.2
160.05212	1.7
161.05975	2.2
162.06757	4.7
163.07571	1.6
165.09138	1.0
171.04527	0.3
171.07997	0.6
175.07550	6.1
175.11116	0.3
176.04675	0.8
177.05789	3.7
177.09099	100.0
178.06143	0.4
178.09529	1.5
188.08344	0.3
189.01759	0.3
189.05389	0.6
191.07016	2.4
193.08598	0.9
203.07051	1.1
203.10672	0.8
203.17949	0.2
221.04503	0.4
221.08037	4.6
221.09824	0.3
221.11691	0.6
221.15425	0.3
221.18994	0.2
222.07547	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.117
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.3
57.07063	0.2
67.05481	0.5
69.03414	0.2
71.04980	0.2
71.49625	0.2
79.05489	0.5
81.07037	0.6
91.05453	1.6
93.07024	0.6
95.04961	0.3
95.08589	0.3
103.05420	0.2
105.03371	0.3
105.07061	1.0
107.08568	0.5
109.06482	0.4
111.08056	0.3
115.05417	1.3
116.06210	0.5
117.07010	5.0
119.04916	0.7
119.08570	0.6
121.06476	0.9
128.06219	1.1
129.07001	0.3
130.06509	0.9
131.04971	0.3
131.08553	0.4
132.05690	0.3
133.06503	1.2
134.07294	1.0
135.08066	1.0
137.05986	0.2
137.09647	0.3
142.07770	0.2
143.04861	0.2
143.08562	0.9
144.05695	0.8
145.06483	1.1
146.07265	0.2
147.04395	0.7
147.08040	0.8
147.13664	0.2
148.05000	0.2
148.07526	0.2
149.06017	0.2
149.09578	0.2
151.03888	0.2
153.08983	0.2
158.06007	0.4
160.05185	0.5
161.06000	1.3
162.06752	5.5
163.07516	0.3
165.09106	0.5
166.08592	0.2
171.08049	1.0
175.07515	3.1
175.08846	0.3
175.11215	0.3
175.14825	0.2
176.06995	0.9
177.09090	100.0
178.09489	2.0
188.08383	0.2
189.05533	0.2
189.09219	0.2
193.08571	0.4
197.56914	0.2
203.06908	0.2
203.10646	0.8
204.06686	0.2
204.10249	0.2
206.16232	0.4
218.98140	0.2
221.04297	0.4
221.06230	0.2
221.08076	0.9
221.09753	0.2
221.11818	1.1
221.15363	0.5
221.18106	0.3
222.07713	0.3
222.11229	0.7
230.35281	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0807
Annotation	(+)-Cyclosordariolone
Peak:m/z	Relative Intensity
50.01603	0.5
53.03934	0.9
54.93442	0.5
55.01852	1.8
55.05500	1.6
56.96559	1.1
57.07058	1.4
57.43011	0.4
64.59660	0.4
65.03926	0.7
66.37289	0.4
67.05507	2.5
69.03418	1.0
69.07050	1.2
69.32244	2.7
69.32654	1.2
70.06564	1.1
73.02903	1.5
79.05492	2.7
81.03404	0.7
81.07043	2.8
83.04957	0.7
83.08599	1.1
91.05450	8.0
93.07037	1.9
95.04951	1.5
95.08620	2.4
97.02899	0.5
97.06535	0.5
98.97578	0.7
103.05461	1.4
104.06252	0.7
105.03371	0.8
105.07014	4.5
107.04952	1.6
107.08578	1.6
109.02852	0.5
109.06515	1.7
109.10135	2.3
111.04433	0.6
111.08095	2.8
115.05463	3.5
116.98612	1.2
117.07010	2.3
117.57050	0.4
118.04141	3.5
119.04931	0.6
119.08587	3.1
121.06514	4.4
121.10164	0.7
123.08084	0.9
123.11708	0.8
129.07018	0.7
130.06511	2.6
131.04926	6.2
132.05708	3.5
133.02821	0.7
133.06476	1.3
133.10109	2.0
134.03610	1.5
135.08044	1.8
135.11719	0.6
136.06154	0.7
137.06013	2.1
137.09618	1.3
143.04884	0.9
143.08549	0.7
144.05705	1.2
145.06503	3.1
145.10103	0.5
146.03638	2.2
147.04411	2.3
147.08031	4.4
147.11705	1.1
148.05138	0.5
148.08701	0.6
149.05966	2.9
151.03900	0.6
151.07567	0.9
151.11198	0.7
153.09096	0.9
155.06033	0.6
158.05998	1.9
159.04407	1.6
160.05202	6.4
161.05975	100.0
161.09631	1.6
161.13217	1.6
162.06377	2.1
163.07559	1.4
163.11238	0.7
165.05504	0.8
165.09117	1.2
171.04420	1.2
172.05190	10.3
173.05951	0.7
175.03935	0.9
175.07532	24.2
175.11052	1.1
175.14774	1.4
176.07912	0.6
177.05525	0.6
177.09132	2.2
178.09839	0.7
179.03319	0.8
179.10667	0.5
179.18427	0.5
180.17238	0.5
185.06079	0.9
188.04645	3.3
189.05357	0.8
191.07057	1.1
193.05003	0.7
193.08548	0.9
193.15868	2.1
203.07024	40.3
204.07489	1.9
206.16205	3.1
221.04401	2.4
221.07983	2.9
221.11763	1.6
221.15356	3.1
221.18167	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	220.118
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
52.10932	0.6
55.01865	1.9
55.05510	1.2
56.01390	0.7
56.14563	0.6
57.07074	8.0
59.04996	5.8
66.66080	0.5
67.05508	5.9
69.03432	1.0
69.07073	5.5
70.02949	7.8
71.18219	1.6
72.04514	14.3
72.04895	1.2
73.02918	3.3
74.02433	1.5
79.05452	0.6
80.05001	0.7
81.07051	0.9
83.00475	0.6
83.04974	1.3
85.06544	10.1
86.09708	1.5
87.08111	1.8
90.05555	100.0
93.13997	0.6
94.96125	0.6
95.04972	7.6
96.08144	2.3
97.02914	0.7
98.02417	14.8
100.03968	2.4
100.74128	0.8
103.07578	7.4
105.06996	0.6
112.07592	0.8
113.05993	2.8
116.03450	15.0
116.98617	0.7
119.08626	1.2
124.07588	18.7
130.06517	1.7
131.07063	1.0
132.04463	1.1
132.08070	0.6
133.10072	0.7
142.08641	8.1
145.10103	0.9
146.06010	5.6
156.10164	1.3
158.06013	0.9
160.09727	1.6
162.13496	0.7
164.10814	0.6
166.08641	1.8
174.05513	1.3
174.11273	2.6
175.08638	1.5
177.12682	1.7
181.04970	0.9
184.08423	0.5
184.09694	17.3
202.08830	1.4
202.10745	28.4
204.14648	4.0
205.15860	10.0
220.06139	0.6
220.09987	1.1
220.11813	24.6
220.17798	13.3
221.12029	0.9
221.15401	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.118
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.5
55.05503	1.1
57.07076	7.7
59.05001	4.6
67.05499	5.5
69.07069	5.4
70.02953	5.9
71.01363	0.6
71.03295	1.5
72.04517	15.3
72.08163	0.8
73.02912	3.8
74.02458	1.7
75.04459	0.8
80.00920	0.6
81.07054	1.0
83.04993	1.6
84.08134	1.1
85.06545	10.8
86.09698	1.2
87.08099	1.5
90.05556	100.0
91.05456	1.1
95.04975	6.9
96.08133	2.0
98.02418	14.6
98.03012	1.1
100.03989	2.5
103.07575	8.6
105.07009	0.9
113.06001	2.9
116.03459	14.5
116.04281	0.9
121.06490	0.9
124.07594	20.3
124.08504	1.0
142.08624	7.8
145.10092	1.2
146.05992	1.4
156.10185	1.0
158.11786	1.4
160.03177	1.1
160.09721	1.9
161.05981	0.6
166.08617	2.0
174.11287	1.3
175.04033	0.6
175.07579	0.7
177.12770	1.1
184.09695	18.8
202.10741	28.5
204.14668	3.7
205.15889	13.1
220.09877	1.2
220.11800	30.6
220.17810	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	219.1744
Annotation	(-)-Taylorione
Peak:m/z	Relative Intensity
53.03948	2.3
54.46446	1.4
55.05515	11.9
57.07067	2.5
65.13512	1.3
67.05509	10.2
68.78584	1.6
69.03458	1.8
69.07085	9.3
69.23421	1.4
71.05006	18.0
71.07075	3.3
73.06544	1.5
79.05484	12.4
81.06594	2.4
81.07058	36.1
83.04977	5.6
83.08613	3.5
85.06534	3.1
85.44026	1.7
91.05484	30.3
93.06496	2.5
93.07050	24.2
95.04960	3.6
95.08596	15.3
97.06530	9.4
97.10182	3.4
105.07034	68.9
107.04935	1.9
107.08591	21.6
109.06493	5.1
109.10164	15.2
115.05457	7.1
116.06246	2.1
117.07019	9.9
118.06580	8.5
119.08575	23.7
120.08073	2.5
121.06477	3.7
121.10135	18.1
123.08045	4.3
123.11740	2.2
125.09630	20.2
128.06204	3.7
129.07011	15.4
130.07759	2.7
131.04927	3.8
131.08563	29.1
132.05721	1.6
133.10130	100.0
134.10512	1.7
135.08044	5.3
135.11682	9.7
137.09618	1.8
138.84032	1.8
139.11156	1.7
141.06993	9.4
144.05724	4.1
144.09337	2.2
145.06512	4.4
145.10129	22.2
146.07220	1.9
146.09653	1.8
147.08034	2.8
147.10840	1.5
147.11703	15.3
149.09616	5.0
149.13226	2.7
157.06490	7.1
158.07268	6.0
159.08072	9.9
159.11691	21.2
160.05275	2.1
161.05966	1.8
161.09622	3.1
161.13266	14.3
162.09120	4.9
163.11182	5.8
166.17119	1.7
169.06480	6.7
173.05992	3.4
173.13258	4.2
174.06770	21.3
175.07578	24.4
175.14815	5.7
176.10674	4.7
176.14351	26.2
177.11388	2.4
177.12808	2.9
177.16396	3.5
186.06772	5.4
187.07404	2.0
189.09103	27.8
190.09369	1.8
190.12209	2.7
191.07033	2.6
191.10718	3.0
191.17894	3.1
201.05530	1.6
201.09102	11.3
201.16370	23.3
203.14313	13.3
206.34048	1.4
219.10162	41.9
219.17445	96.2
220.16959	92.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1742
Annotation	(-)-Cryptomerione
Peak:m/z	Relative Intensity
53.03941	0.6
53.67038	0.3
55.01870	1.8
55.05506	4.1
57.03428	0.6
57.07066	1.1
59.04952	0.3
67.05506	11.1
69.03421	0.4
69.07067	10.7
69.45990	0.8
69.46413	1.6
71.04983	1.0
71.28445	0.3
75.83135	0.2
79.05489	8.7
80.24438	0.2
81.03395	0.9
81.07053	10.5
83.04972	2.5
83.08607	1.7
85.06535	0.8
91.05479	8.0
93.07042	11.2
95.04967	3.8
95.08601	9.4
97.06513	2.9
97.10175	0.5
103.05447	0.3
105.07028	5.7
107.04962	3.5
107.08588	7.6
109.06532	2.6
109.10153	4.9
111.08076	0.7
115.05477	0.7
117.07005	3.1
119.08578	6.9
121.06501	2.1
121.10148	10.4
123.08060	2.8
123.11696	1.0
125.09602	0.5
129.07001	0.6
130.07819	0.7
131.07619	0.4
131.08562	5.2
133.06447	0.3
133.10124	6.4
135.08063	2.2
135.11688	7.3
137.09622	2.9
139.11153	0.6
143.08527	0.7
145.06401	0.3
145.10114	9.9
147.11667	3.1
149.09608	6.0
149.13295	1.8
151.11169	2.9
157.10185	0.4
159.08051	0.5
159.11682	4.4
161.09660	0.7
161.13274	4.9
163.07497	0.6
163.11172	15.1
173.09627	0.3
173.13251	1.4
174.06775	0.5
175.07491	0.4
175.14810	2.0
177.12750	2.5
177.16350	0.5
185.13188	0.4
187.11150	0.4
189.09155	0.8
191.14226	0.3
191.17978	2.3
201.16379	10.4
203.14304	10.3
204.14685	0.4
205.15862	0.8
219.13879	2.9
219.17427	100.0
220.17781	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	219.1743
Annotation	Dihydromylione A
Peak:m/z	Relative Intensity
51.39825	0.6
53.03947	0.7
55.05512	6.4
57.03422	1.6
57.07059	1.8
58.42484	0.7
59.04991	2.1
67.05504	7.4
69.03417	1.2
69.07067	29.9
71.04998	3.9
79.05488	3.7
81.07054	10.6
83.04967	1.6
83.08619	4.5
85.06516	2.5
91.05472	4.7
93.07037	11.5
94.64760	0.7
95.04958	2.7
95.08606	19.4
97.06509	2.1
97.10169	1.4
98.21330	3.8
105.07022	16.7
107.04979	1.3
107.08597	19.5
109.06509	5.2
109.10159	20.1
111.08057	2.0
115.86084	0.6
117.06986	2.6
119.08582	18.7
121.06490	2.6
121.10136	18.0
121.10822	0.4
123.08071	3.4
123.11700	5.3
125.09623	2.5
129.06960	1.3
130.07748	1.4
131.08568	6.9
133.10121	8.3
134.65828	0.6
135.08044	4.7
135.11685	12.6
137.09605	10.1
137.13242	2.3
143.08498	1.0
145.10118	18.4
147.11713	4.3
149.09637	8.5
149.13297	3.3
150.10378	0.7
151.11168	2.7
159.11678	10.1
159.87437	0.6
161.13271	11.5
163.11176	14.7
173.13269	2.9
175.14838	8.1
177.12761	4.7
177.16341	2.2
186.13998	0.7
189.12703	0.9
191.17944	7.7
201.16371	15.9
203.14279	3.4
219.17436	100.0
220.17746	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1016
Annotation	1,2,4-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
55.05508	1.8
55.42939	1.6
57.03440	1.3
67.05499	2.2
69.07045	2.1
69.94144	4.2
69.94553	2.2
71.04974	1.3
72.04356	1.3
79.05480	3.1
81.03445	1.7
81.07047	2.8
91.05474	11.6
93.07040	3.7
95.08595	1.9
103.05466	3.2
105.07016	5.6
107.08637	2.5
110.58486	1.3
115.05466	10.9
116.06234	2.5
117.07019	3.5
119.08569	5.1
121.10126	5.2
128.06229	11.9
129.07008	47.2
130.07759	3.5
131.04922	10.5
131.08568	35.1
132.05707	3.2
133.06505	2.8
133.10101	6.6
135.07985	2.3
137.05972	3.9
141.06990	22.9
143.04893	4.2
143.08562	2.0
144.05695	6.5
145.06482	10.0
145.10091	3.9
146.07251	3.7
147.08119	1.3
147.11583	1.7
151.07506	6.0
155.05952	1.8
157.05251	2.4
157.06500	40.9
158.07272	12.6
159.04408	3.9
159.08066	30.7
159.11635	2.8
160.05237	4.8
161.06032	2.0
161.09630	4.0
161.13260	3.8
163.07532	4.0
169.06531	8.3
170.07219	4.9
173.05980	4.7
173.09625	2.5
174.06770	47.4
175.07544	22.0
177.09082	2.2
185.06166	1.4
186.06819	8.9
187.07552	7.1
187.11116	2.1
188.08220	2.9
189.09114	100.0
191.06996	3.2
191.10619	13.8
201.09096	29.9
203.14299	19.5
207.16682	1.4
219.10165	59.1
219.13759	2.6
219.17450	58.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1015
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
57.03421	1.7
65.42329	0.8
67.05499	1.0
71.04988	1.1
71.05324	2.1
76.30763	0.9
78.85165	0.8
80.82694	0.9
87.29365	1.0
91.05477	12.8
93.07017	1.0
95.08611	1.0
103.05444	3.6
103.06069	1.0
105.07016	3.2
107.08563	1.1
109.08304	1.0
109.10156	1.4
115.05452	10.9
116.06229	4.5
117.07007	3.1
118.07748	1.1
119.08545	3.0
121.10135	2.5
128.06221	10.9
129.06041	2.2
129.06999	43.4
130.07811	2.0
131.04913	8.7
131.08562	38.1
133.10094	5.9
137.05974	4.5
141.06984	40.4
143.04883	1.9
143.08530	2.4
144.05704	6.8
145.06479	8.6
145.10095	2.7
146.07213	5.9
147.11679	1.8
148.05171	1.7
155.06006	1.5
156.05678	1.2
157.06477	22.8
158.07283	21.8
159.04422	3.3
159.08051	27.5
159.11668	1.5
160.05203	6.1
161.05974	1.4
161.09587	3.9
162.06772	1.2
163.07520	1.9
168.05658	1.7
169.06474	16.4
169.07661	1.1
170.07246	6.6
171.08020	2.0
173.05963	5.2
173.09563	2.2
174.06764	79.4
175.07532	19.1
183.08073	1.2
186.05136	1.6
186.06769	20.6
187.07515	2.1
188.08275	3.9
189.09100	100.0
190.09468	2.8
191.07028	2.2
191.10635	7.9
201.09094	43.5
201.16391	1.6
203.14288	1.3
219.10153	98.9
219.17403	9.5
220.10460	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	219.1015
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
50.15904	0.8
51.60705	0.6
55.05505	1.2
57.03412	0.8
57.07045	0.9
60.68167	0.6
67.05492	1.7
69.03409	0.8
69.07038	1.6
69.50919	1.8
69.51324	3.1
69.74503	0.7
71.04970	2.1
75.41048	0.7
79.05474	2.5
81.07041	3.9
83.08591	1.1
91.05470	13.4
93.07020	3.1
95.04952	1.4
95.08591	2.9
97.06566	1.1
98.37225	0.7
98.97553	0.9
103.05457	4.4
104.06230	2.0
105.07027	8.3
107.04922	0.9
107.08579	3.8
109.06483	0.8
109.10114	1.7
111.22808	0.7
115.05453	11.7
116.06233	2.9
117.03417	0.8
117.07006	7.0
119.08578	6.1
121.06472	1.2
121.10138	3.6
123.08062	0.9
123.11709	0.8
125.09564	1.1
128.06209	6.7
129.07001	20.7
130.07779	1.5
130.28703	0.7
131.04915	7.4
131.08556	20.2
131.09535	1.1
132.05688	3.3
133.06474	1.7
133.10112	9.8
135.08029	1.5
135.11623	2.1
137.05948	2.1
141.06990	16.6
142.07703	1.0
143.04939	1.4
143.08604	1.7
144.05685	4.8
145.06483	6.3
145.10115	4.5
146.07227	2.6
147.08057	3.3
147.11693	2.5
148.05132	0.8
157.06468	9.5
157.10106	1.4
158.07263	9.9
159.04420	3.6
159.08063	13.8
159.11714	4.2
160.05176	6.5
161.05992	1.3
161.09630	2.1
161.13263	3.0
162.06656	0.8
163.07523	1.6
163.11256	1.2
169.06467	6.1
169.07721	1.1
170.07222	3.3
172.05209	1.0
173.05972	3.1
173.09590	2.3
173.13231	1.6
174.06761	43.0
175.07530	22.8
175.14771	1.4
176.08157	1.5
177.12756	0.8
185.06082	0.7
186.06732	8.6
187.07498	2.6
188.08321	2.4
188.83502	0.7
189.09094	42.2
190.09508	1.2
191.07004	1.9
191.08672	0.8
191.10674	3.8
201.09096	17.5
201.10973	0.9
201.16341	3.2
203.14301	11.4
205.43861	0.8
219.10149	100.0
219.13773	2.7
219.17416	43.0
219.20657	0.8
220.10471	2.5
229.01617	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0499
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46994	0.5
51.86431	0.5
53.03949	0.6
55.01875	3.1
55.02084	0.5
55.05498	2.2
56.96556	0.7
57.07060	1.2
59.05008	0.6
61.02925	10.2
67.05489	1.7
69.03416	0.7
69.07049	2.0
71.00974	0.7
71.01353	14.6
71.07072	0.7
71.07400	1.0
72.08143	0.8
75.04479	24.8
79.05482	2.1
80.41290	0.5
81.07042	2.3
83.04949	0.9
84.99223	0.8
87.04471	9.0
89.02396	4.4
90.05550	2.7
91.05469	2.0
93.07051	2.6
95.01361	0.6
95.04979	0.6
95.08580	1.5
96.14806	0.5
97.13390	0.5
101.06007	0.9
103.03944	28.6
105.07017	3.7
107.08573	2.4
109.06499	1.0
109.10093	0.6
111.04417	0.8
116.98599	0.9
117.06998	1.3
119.08579	6.0
121.06486	0.8
121.10136	5.0
123.04414	0.6
123.08044	1.2
129.07011	1.0
130.07800	0.5
131.03397	6.5
131.04877	0.8
131.08537	1.9
133.06448	0.6
133.10129	5.4
135.04399	1.0
135.08035	0.9
135.11688	1.5
143.08566	0.9
145.06473	1.1
145.10114	1.7
146.05995	1.3
147.08051	0.9
147.11656	2.3
148.08815	0.7
149.09625	0.8
155.07031	0.6
155.08472	0.5
157.07538	1.1
159.02884	37.9
159.08044	1.5
159.11642	1.1
161.09599	1.7
161.13249	3.5
163.03885	2.1
163.11197	0.7
170.10939	0.6
173.09660	0.9
173.13287	0.8
175.07408	1.1
175.14827	1.8
177.09085	0.9
184.09628	0.6
187.02391	5.7
187.11197	1.8
188.11948	1.4
189.09148	0.9
201.08977	0.9
201.12766	0.9
202.10788	0.9
203.14310	29.3
219.04822	3.3
219.10229	1.8
219.17427	100.0
220.11731	0.7
233.05199	0.7
233.23070	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0265
Annotation	Unknow
Peak:m/z	Relative Intensity
71.50738	9.9
72.08139	14.3
83.51185	6.4
97.02913	18.0
98.97562	9.9
107.08624	7.8
119.01928	15.4
119.40013	7.0
121.01705	10.6
121.10155	10.5
131.01909	7.7
133.03461	20.3
147.03314	9.0
148.04745	9.6
161.13264	9.1
162.15045	7.3
187.04538	7.6
191.02121	6.8
203.14330	35.1
219.07118	13.3
219.17429	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0499
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49536	0.5
55.01863	1.9
55.05519	2.5
57.07058	0.9
59.04989	1.0
61.02932	11.6
62.87620	0.5
67.05496	1.8
69.07060	2.3
70.70369	1.6
71.01359	15.7
72.08170	0.5
75.04483	24.2
79.05485	2.0
81.07056	3.5
83.05000	0.7
83.08619	0.7
85.02895	0.5
85.06533	0.5
86.09705	0.8
87.04475	9.4
87.79774	0.6
89.02396	4.2
89.69999	0.5
90.05556	0.8
91.05472	2.1
93.07051	3.5
93.84786	0.5
95.04968	0.8
95.08594	1.4
97.06553	0.6
98.97598	1.3
103.03945	28.6
103.05444	0.9
105.07036	3.8
107.08571	2.2
110.28918	0.5
116.98624	1.1
117.07005	1.3
119.08578	6.0
121.06473	0.7
121.10150	6.0
121.32601	0.4
123.08036	0.8
123.11697	0.6
128.06195	0.6
129.07028	0.9
131.03441	5.4
131.08548	2.0
133.10147	5.4
134.99620	0.8
135.07994	0.7
135.11713	1.2
143.08565	2.2
145.06482	1.4
145.10091	2.0
147.04407	0.8
147.08017	0.8
147.11697	1.7
149.09602	0.8
157.07573	0.8
157.10101	1.0
159.02898	38.3
159.08069	1.0
159.11714	0.8
161.09595	1.6
161.13271	4.6
163.11201	0.6
170.10750	1.2
173.09599	1.0
173.13206	1.0
174.06863	0.6
175.14809	1.7
177.12720	0.5
185.13335	0.5
187.02449	2.4
187.11160	1.3
188.11937	0.8
191.10640	0.6
192.29181	0.5
201.09077	0.8
201.12810	1.0
203.14326	32.2
219.04735	3.3
219.06621	1.4
219.10225	2.0
219.17447	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1587
Annotation	(+)-Nuciferal
Peak:m/z	Relative Intensity
53.03939	4.3
55.01853	4.6
55.05510	50.5
55.99461	1.1
57.03429	3.0
57.07061	5.0
59.04993	5.5
62.16846	1.3
63.28526	1.1
65.03938	2.1
67.05508	32.6
69.03432	6.6
69.07064	14.7
71.04984	1.3
71.05600	2.8
71.08607	1.3
73.02904	1.9
79.05497	35.1
81.03429	2.4
81.07056	67.1
83.04983	60.8
83.08629	8.4
85.06548	6.2
87.04469	5.8
87.48431	1.0
89.02383	5.7
89.06042	11.3
91.05483	54.6
93.03409	1.2
93.07047	57.1
94.07336	1.5
95.04970	31.8
95.05566	2.2
95.08609	42.5
97.06518	7.1
97.10157	3.4
99.04438	3.5
100.75408	1.2
101.06016	25.0
103.05405	1.6
105.07030	66.5
107.04955	3.5
107.08597	33.4
107.09312	2.3
109.06520	36.3
109.07275	1.9
109.10161	20.2
111.04444	76.8
111.08078	3.2
113.05997	9.8
115.05467	3.5
117.07015	11.4
119.08582	54.8
121.06506	9.0
121.10148	66.5
123.08064	12.6
123.11699	6.4
126.65285	1.1
127.07540	9.2
128.06247	8.3
129.05489	24.4
129.06973	9.7
131.07034	1.2
131.08559	16.6
133.06529	3.5
133.10132	43.7
135.08032	6.2
135.11697	25.9
137.06001	1.9
137.09612	3.3
141.06992	1.6
142.07784	4.3
143.08575	16.3
144.09340	2.0
145.10143	15.2
147.08084	7.5
147.11681	29.1
148.08864	2.3
149.09599	5.7
149.13268	3.9
155.07033	100.0
156.05666	3.6
156.09309	2.5
157.10129	20.3
158.10892	1.8
159.08061	2.2
159.11690	11.5
161.05989	3.3
161.09616	18.3
161.13252	21.9
170.10881	2.5
171.11624	8.0
173.08110	56.9
173.13239	14.6
173.40622	1.5
174.06705	2.2
174.10495	1.8
174.18550	3.0
175.11200	5.2
175.14825	12.4
184.12456	2.7
187.07523	1.3
187.14867	2.5
189.05399	1.4
189.09084	3.4
189.16386	10.6
199.07819	1.6
199.09592	6.6
199.14830	32.6
202.06247	1.4
202.09877	1.7
217.05081	6.7
217.08594	8.2
217.10623	46.2
217.15904	80.6
217.19435	51.9
218.16185	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.086
Annotation	CHEBI:70632
Peak:m/z	Relative Intensity
55.01865	5.7
55.05511	37.1
57.07071	1.1
59.04995	3.5
61.73086	1.2
67.05499	4.3
69.03419	3.3
69.07059	2.1
69.41261	4.7
69.41693	6.3
73.02899	1.4
79.05486	2.2
81.07053	4.7
83.04980	50.7
83.08595	2.4
85.06544	3.4
85.60088	1.5
87.04472	5.7
89.02390	4.5
89.06017	7.9
91.05475	14.9
93.07048	1.8
94.10636	1.4
95.08618	3.4
98.21485	2.8
99.04444	3.4
101.06010	19.6
103.05450	2.6
105.07034	14.7
107.04922	2.3
107.08595	1.7
109.10154	2.3
111.04440	63.3
113.05996	8.3
115.05432	9.7
116.06239	3.5
117.07010	5.6
118.07858	1.2
119.04938	2.3
119.08601	3.9
121.06511	4.9
121.10150	2.2
126.62740	1.2
127.07565	10.6
128.06218	23.9
128.34402	1.5
129.05495	16.0
129.07001	26.0
130.07695	1.3
131.04930	10.0
131.08588	7.3
132.05734	2.0
133.06482	4.7
133.10164	4.7
135.11613	1.4
137.06020	1.6
141.06969	5.2
143.04953	2.3
143.08583	4.2
143.79140	1.4
144.05724	8.7
145.06474	7.8
145.10124	1.7
146.07295	11.4
147.04404	1.4
147.06517	1.5
147.08041	2.1
147.11711	2.9
155.07034	87.4
156.05699	36.9
157.06502	14.2
157.10106	2.9
158.07130	2.1
159.04407	2.1
159.08043	15.9
159.11713	3.6
160.05170	2.3
161.06023	6.9
161.09619	58.8
161.13237	2.5
162.10020	1.5
163.02901	1.3
168.05737	1.8
171.04376	4.2
171.08022	6.4
171.11694	2.2
172.05191	22.6
173.05988	5.3
173.08101	48.4
174.06779	14.5
175.07526	4.4
175.11241	2.4
184.05205	17.1
185.05942	5.1
186.06575	5.5
187.07538	29.4
188.08282	4.2
189.05457	3.7
189.07271	2.2
189.09117	16.3
199.07544	69.6
199.09436	3.3
199.14835	2.8
202.06210	10.6
217.04997	8.5
217.08583	100.0
217.10709	39.8
217.15698	6.1
217.19446	2.8
218.09068	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0858
Annotation	Noraucuparin
Peak:m/z	Relative Intensity
53.03936	1.2
55.01858	2.6
55.05507	14.9
65.03941	1.3
67.05494	2.0
69.03434	1.1
69.07042	1.1
69.72460	2.4
69.72864	3.6
79.05486	1.7
81.07056	1.8
83.04975	22.2
83.08582	1.5
85.06527	1.2
87.04474	2.2
89.02411	2.5
89.06037	3.3
91.05476	12.7
93.07025	1.7
95.08587	1.7
97.03207	1.0
97.08182	0.9
99.04458	1.1
101.06015	7.8
101.31467	1.0
102.04653	0.9
103.05482	3.5
105.07045	8.8
107.04967	2.7
107.08582	1.2
111.04436	29.0
113.05997	2.5
115.04730	1.0
115.05436	6.7
116.06243	3.5
117.07010	5.9
119.04919	1.8
119.08603	1.9
121.06524	4.0
121.10158	1.2
127.07578	2.8
128.06219	23.1
129.05489	8.1
129.06992	21.1
130.07841	2.6
131.04926	9.0
131.08559	6.5
132.05771	2.2
133.06496	1.3
133.10097	1.9
137.05998	1.0
141.07022	3.1
143.08568	3.0
144.05701	6.4
145.06491	8.6
146.07274	12.7
147.08121	2.5
149.01308	0.9
155.05058	2.1
155.07027	41.6
156.05699	21.8
157.06483	12.6
157.10124	1.7
158.07260	1.5
159.08055	14.9
160.05186	1.7
161.06036	2.9
161.09608	69.5
168.05756	2.9
171.04431	2.7
171.08075	5.3
171.11790	1.2
172.05190	23.0
173.05975	3.4
173.08086	24.7
174.06773	13.0
175.07523	5.9
184.05191	14.0
185.06032	3.5
186.06653	7.5
187.07523	28.2
188.08253	4.1
189.05516	2.2
189.09116	20.0
189.10780	1.5
199.07526	64.0
200.07912	2.0
201.05591	1.0
202.06055	6.3
217.08617	100.0
217.10718	17.7
217.15955	3.1
217.19603	2.2
220.56128	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0859
Annotation	CHEBI:70632
Peak:m/z	Relative Intensity
53.03930	0.8
55.01861	2.6
55.05506	13.9
59.04988	1.6
65.03924	1.0
67.05498	2.4
69.03446	1.1
69.07046	0.8
71.49856	0.7
73.02922	0.8
79.05495	2.2
81.07050	1.2
83.04979	19.0
83.08620	0.8
85.06537	0.8
87.04461	2.2
88.06055	0.6
89.02393	1.4
89.06026	4.2
91.05477	14.5
93.03413	0.7
93.07030	1.8
95.04955	1.6
95.08616	1.2
99.04471	0.9
101.06001	5.8
103.05466	3.5
104.06313	0.6
105.07030	11.8
107.04946	1.9
107.08570	0.9
109.10137	0.7
111.04436	25.0
113.05979	3.0
115.05449	7.2
116.06266	3.9
117.06997	5.7
118.07826	1.0
119.04947	2.7
119.08592	2.2
121.06492	4.8
121.10140	0.7
127.05453	0.7
127.07558	3.4
127.58497	0.6
128.06219	23.5
129.05547	6.1
129.06998	24.0
130.07777	1.3
131.04915	7.4
131.08571	5.8
132.05675	1.3
133.06488	2.9
133.10133	2.7
137.05960	1.0
141.06973	3.6
142.07780	0.8
143.04915	1.5
143.08585	1.4
144.05699	8.2
145.06471	10.2
145.10059	0.6
146.07260	13.7
147.08032	2.7
147.11665	1.0
155.04958	1.1
155.06006	1.4
155.07030	35.0
156.05693	22.2
157.06491	12.9
157.10138	0.9
158.07271	1.6
159.04443	2.3
159.08057	14.4
159.11743	1.7
160.05205	1.7
160.08846	3.0
161.06004	3.8
161.09605	66.0
161.13277	1.5
162.09998	1.0
168.05704	2.3
169.06392	0.7
171.04387	2.8
171.08046	4.8
172.05182	22.4
173.05974	4.0
173.08095	21.9
174.06750	15.3
175.07550	5.2
184.05171	14.2
185.05975	4.0
186.06569	8.7
187.07527	27.8
188.08289	5.1
189.05460	2.3
189.09103	20.1
199.07530	64.4
200.07942	1.8
201.05458	0.8
202.06097	6.9
217.05070	3.1
217.08607	100.0
217.10706	15.4
217.15681	3.3
217.19600	2.3
218.08987	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	217.0858
Annotation	Noraucuparin
Peak:m/z	Relative Intensity
55.01868	5.2
55.05511	14.4
55.26552	0.7
58.56414	0.7
59.04992	1.2
67.05514	1.2
70.59253	0.7
71.50795	1.0
79.05488	0.8
81.07072	1.1
83.04978	23.4
83.08625	1.0
85.06539	2.0
87.04473	2.0
89.02406	2.1
89.06045	3.2
91.05486	1.4
95.04932	0.9
95.08620	0.9
96.92848	0.7
99.04491	1.2
100.39915	0.7
101.06016	9.0
103.05494	0.8
104.06216	1.4
105.07049	3.4
107.08599	0.9
111.04436	27.5
111.08045	0.8
113.06001	2.8
115.05472	2.3
117.07000	1.8
119.08578	2.0
123.08124	0.8
127.07575	3.6
128.06224	32.9
129.05528	7.6
129.07005	24.9
129.07930	1.5
131.04945	3.6
131.08563	3.5
132.05716	0.7
133.06485	0.8
133.10139	1.5
137.05954	1.3
139.05362	0.8
141.06941	0.7
142.07767	0.8
143.04980	1.2
143.08549	2.2
144.05672	4.7
145.06477	3.4
146.07246	2.0
155.05791	1.4
155.07031	39.5
156.05695	88.4
157.06496	25.3
157.10167	2.6
158.07249	2.1
159.04457	2.4
159.08054	1.0
159.11732	1.7
160.05212	1.4
161.06004	1.6
161.09581	1.5
171.08113	3.0
172.05188	4.4
173.05984	7.1
173.08093	22.3
173.09508	1.3
173.13298	1.1
174.06766	15.8
175.07491	2.1
184.05193	10.6
185.05951	11.0
187.07533	12.3
189.09113	14.2
199.07602	3.9
199.09703	2.8
199.14833	1.1
201.05399	1.2
202.06253	21.7
217.08649	100.0
217.10718	18.4
217.15726	3.7
218.08992	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	217.0196
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67607	1.2
55.05500	1.6
62.11912	1.2
66.36291	1.2
70.15512	4.1
82.99839	1.4
83.04969	4.8
85.01373	2.2
95.90053	1.2
101.00871	21.4
103.02429	13.3
111.04399	6.4
113.05962	1.7
119.01916	100.0
120.02033	3.0
121.01609	1.6
121.03481	7.5
127.02448	2.4
129.05489	1.7
131.01923	9.8
135.69870	1.4
137.02954	32.3
142.03456	3.1
145.03458	61.2
146.03563	2.3
147.01367	5.9
149.02934	5.1
155.07008	4.5
156.97470	3.9
160.98982	1.3
163.04518	37.9
168.05101	3.6
171.01419	3.7
173.02928	5.1
173.08069	2.8
174.98526	4.1
189.00053	2.4
189.02437	19.0
191.04019	2.3
193.02119	1.5
199.01129	1.3
207.03455	9.7
216.84671	2.4
216.99760	2.4
217.01901	4.1
217.10635	1.6
226.03409	1.3
235.02997	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.7
55.05268	0.8
55.05513	9.4
56.96562	1.1
57.03446	0.7
58.99849	0.6
59.04998	0.8
61.02925	4.0
65.53521	0.5
67.05504	1.0
69.03432	1.5
70.76314	1.0
70.76637	0.7
72.08150	1.3
73.02920	1.1
76.94625	0.5
77.00903	1.1
82.99866	1.3
83.04983	15.1
85.01406	2.6
85.02898	1.0
85.06554	1.1
86.06071	0.7
87.04470	2.2
89.02393	1.3
89.06041	2.4
91.05550	0.5
93.03406	0.5
96.04493	0.9
99.04449	1.1
100.02456	0.6
101.00878	19.7
101.06008	5.6
102.00990	0.6
103.00590	0.7
103.02447	14.5
109.01390	0.8
109.76015	0.5
111.04446	19.2
113.00868	1.2
113.02357	0.9
113.06023	2.2
115.02430	0.9
118.03512	0.7
119.01922	100.0
120.01959	2.5
121.01674	2.5
121.03480	10.4
127.02387	4.6
127.07569	3.1
129.00362	1.2
129.05478	5.4
129.07022	0.6
129.96182	0.6
131.01904	11.8
132.99817	0.6
133.01640	0.6
133.03467	1.9
137.02956	33.9
137.10776	0.8
138.09108	1.1
139.02591	0.8
142.03549	3.5
143.01845	0.7
144.99800	1.5
145.03465	88.4
146.03615	1.9
147.01413	7.3
148.02882	0.9
149.01134	0.5
149.02957	7.4
153.00410	0.6
154.08656	1.5
155.01886	0.9
155.07030	29.0
155.11839	0.6
157.03461	1.0
158.28734	0.5
159.05066	0.8
160.04636	1.2
161.02975	1.2
163.04532	54.4
164.04689	1.8
165.02449	1.0
168.05069	5.9
171.01385	6.1
171.02820	0.7
172.99310	0.6
173.02962	5.8
173.06609	0.9
173.08098	14.9
175.00905	1.4
177.02367	0.7
185.03033	0.6
186.06137	1.7
187.00993	1.0
189.02443	33.9
190.02542	1.3
190.88422	0.5
191.04028	5.1
193.01965	2.8
193.33586	0.5
194.02985	2.0
196.04608	0.7
199.00917	2.2
199.09567	1.0
203.04005	0.7
205.01962	0.7
207.03506	20.6
208.03662	0.6
212.04059	2.6
217.01862	8.0
217.03641	0.5
217.06862	1.5
217.10664	11.5
221.04971	0.5
235.02979	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	216.0356
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01838	0.9
56.96563	2.0
57.03432	0.7
59.05007	1.3
67.05503	0.8
69.94564	4.3
73.02907	0.8
73.06544	0.8
77.00887	1.0
82.99836	1.4
85.01411	1.3
88.02480	1.7
95.46948	0.7
98.21545	0.7
98.88158	0.7
98.97564	1.4
100.02454	1.4
101.00867	14.5
101.02371	1.0
102.04069	2.5
103.02441	8.7
116.98627	0.9
118.02081	0.8
118.03513	2.4
119.01920	100.0
120.02004	4.0
120.05070	1.2
121.03505	6.4
123.52190	1.2
124.02000	1.1
126.04016	2.6
127.00821	0.9
127.02430	1.3
130.03508	13.3
131.00949	1.2
131.01910	18.7
132.02664	1.3
133.02583	1.1
135.52014	0.9
136.04521	1.8
137.02954	43.8
137.51979	1.0
138.01881	1.0
138.03056	1.0
139.00752	1.6
142.03506	3.7
143.01895	1.2
144.05064	37.7
144.52768	1.9
145.03465	48.2
146.03563	2.9
147.01382	3.8
147.03223	2.1
148.04564	4.9
148.53003	1.6
149.02937	13.3
149.51981	1.1
154.03502	2.6
155.00810	1.0
156.01404	3.5
156.97507	1.5
157.53537	8.7
158.03372	8.4
158.52451	1.5
159.02458	1.3
160.04535	2.4
160.52362	1.0
161.02983	1.3
162.06128	15.9
162.52718	1.1
163.04518	30.4
164.01563	1.2
165.53282	1.4
166.54071	1.6
167.06665	2.0
168.02919	1.2
168.05058	2.6
170.02975	11.5
171.01411	2.1
171.03000	1.0
172.03133	1.6
172.04469	5.3
172.52185	1.4
173.03188	4.1
173.53041	1.0
174.02492	14.0
174.98561	3.1
175.01962	1.2
179.04002	1.3
180.03822	1.7
180.53836	15.1
181.03662	15.6
181.53825	2.5
182.02641	5.2
182.53604	1.8
183.01620	2.1
183.03297	0.9
184.02385	1.3
186.06125	2.0
188.04036	20.0
188.53542	1.5
188.99997	1.1
189.02357	12.0
190.03345	1.3
190.05536	1.5
191.04185	5.1
192.03542	3.1
192.53865	2.9
193.01828	1.9
193.03697	3.9
194.02780	1.1
196.53325	1.4
197.04120	1.4
199.00896	3.5
201.52531	1.0
201.54315	1.6
202.02275	3.7
202.04083	1.6
202.54329	1.0
205.03928	1.2
206.05098	3.7
206.99997	0.8
207.03506	9.0
211.02219	0.9
212.01810	1.8
212.04022	1.2
215.54111	10.6
216.03658	26.0
216.08681	1.9
216.54076	1.3
216.99646	2.2
217.01996	10.0
217.03755	1.1
217.16805	0.9
224.54707	1.0
226.03416	2.3
234.04660	3.0
235.03075	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	215.0913
Annotation	Morindacin
Peak:m/z	Relative Intensity
52.02457	2.9
53.03939	4.2
53.17916	2.6
53.52645	2.8
55.01867	4.1
55.05504	5.7
55.86334	3.0
56.16494	2.6
67.05493	12.7
67.16908	2.7
70.80826	4.6
70.81187	8.6
71.04950	3.9
79.05489	55.7
81.03391	3.4
81.07050	27.0
83.01344	3.9
83.04964	7.4
85.02862	3.4
91.05477	8.6
93.07030	10.0
95.04984	20.5
95.08587	17.1
97.02878	16.0
103.05460	8.0
105.07016	30.7
105.40292	3.1
107.04947	23.7
107.08594	3.2
107.13251	2.9
109.02856	8.0
109.06508	39.3
111.04446	3.9
111.08068	38.7
115.05488	4.3
117.07011	5.4
121.06500	8.3
123.04422	6.6
123.08050	10.3
124.23468	3.0
127.03915	100.0
132.95818	3.8
133.06480	15.3
135.04413	12.0
137.05988	18.7
150.96901	6.1
151.03899	33.0
151.07535	22.3
153.05469	35.9
161.05954	6.0
173.05878	2.8
177.05463	3.2
179.07027	65.3
197.08112	21.8
206.80434	3.2
215.07002	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	215.0913
Annotation	Morindacin
Peak:m/z	Relative Intensity
53.03931	14.0
55.01291	5.6
59.94222	5.1
67.05509	19.9
70.82081	9.9
79.05493	75.0
81.07067	52.2
83.04962	7.0
85.02921	10.8
91.05476	12.3
93.07034	11.9
95.04957	24.0
95.08610	15.9
97.02881	22.5
102.10821	5.2
103.05454	7.5
105.07014	34.4
107.04967	31.8
109.02862	6.8
109.06535	59.3
111.08102	45.9
115.57317	5.6
121.06526	15.0
123.04404	6.3
123.08056	10.5
127.03919	100.0
132.95819	7.5
133.06458	15.0
135.04433	14.3
137.06006	17.8
145.63182	5.8
150.96892	12.3
151.03903	37.8
151.07545	21.0
153.05469	45.8
155.07043	7.8
159.33748	5.9
161.05980	5.8
179.07036	53.2
197.08118	16.4
221.43671	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.6
55.05518	3.6
56.96555	1.1
57.07077	4.5
62.03923	0.5
67.05491	2.0
69.03391	0.6
69.07075	7.6
71.04962	0.6
71.52074	0.6
71.90179	0.5
77.03918	0.5
79.05493	6.6
81.07056	1.8
83.04978	0.5
83.08612	2.9
84.95973	0.4
85.56068	0.5
88.07617	1.4
91.05490	8.2
93.07038	6.0
95.04981	2.5
95.08623	2.4
103.05467	2.0
103.37190	0.5
104.06311	0.5
105.07033	55.6
106.07347	0.9
107.04945	4.8
107.08602	6.7
110.08917	0.5
115.05470	1.2
117.07035	2.7
117.07751	0.5
119.08582	48.1
120.08899	0.6
121.06541	0.5
121.10143	10.8
123.04433	0.9
128.06219	9.1
129.07021	7.6
129.74237	0.5
131.08545	2.0
133.02831	0.5
133.10130	5.6
135.04419	0.6
139.07533	1.1
141.06960	3.3
142.06653	0.6
142.07780	15.5
143.08563	46.5
144.09160	0.5
145.10103	4.7
145.53377	0.4
147.11636	0.6
151.03876	1.9
153.05507	0.6
153.06946	0.7
155.08524	3.4
156.09338	13.0
157.10129	52.1
158.10918	2.4
159.11679	1.7
167.07108	0.7
169.10141	3.4
170.10947	3.6
171.11688	44.2
172.12279	1.6
183.08124	0.5
183.11707	6.8
184.12553	2.4
185.13264	6.8
195.06482	0.7
195.10072	0.6
195.11723	1.0
197.13300	0.6
198.10323	0.6
198.14026	5.3
199.14742	0.9
201.11469	0.7
211.14807	0.6
213.05510	2.9
213.12799	3.8
213.16383	100.0
214.16725	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	213.1485
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.6
55.01865	6.7
55.05515	26.0
57.03426	8.9
57.07060	4.8
65.03935	3.8
67.05508	81.0
69.03411	9.9
69.07072	27.4
69.74831	2.1
70.06600	2.4
71.01337	2.5
71.04976	8.0
71.08622	3.8
71.51083	2.2
71.51510	3.6
73.02908	2.8
79.05495	49.4
81.03407	4.5
81.07056	100.0
83.04971	7.8
83.08617	20.7
85.06551	4.7
85.35460	2.7
88.07625	3.1
91.05476	29.1
93.07042	69.6
95.04949	11.6
95.08611	29.4
97.06516	15.9
97.10145	4.3
98.05994	2.4
99.08095	3.3
103.05442	4.9
105.07052	16.6
106.35429	2.1
107.04952	27.5
107.08588	30.0
109.02879	2.2
109.06519	3.0
109.10162	5.4
111.08060	6.8
115.05453	7.3
117.07013	24.4
119.08575	10.9
121.06487	4.9
121.10143	18.0
123.04410	3.4
123.11682	4.6
125.02364	3.5
128.06223	19.0
129.07068	14.9
131.08585	15.1
133.02859	8.4
133.10129	14.5
135.04413	2.6
135.08035	6.2
135.11716	16.0
139.05447	3.8
141.07008	4.2
142.07762	7.8
143.08534	16.5
145.06494	4.8
145.10118	28.1
148.97362	2.5
149.05998	2.8
149.09645	3.1
149.13252	29.0
151.03900	14.2
152.06209	2.6
153.05447	5.0
155.06015	3.4
157.06488	19.9
157.10139	25.9
159.11705	17.3
161.02373	9.0
163.07536	3.7
165.06996	3.4
167.07059	19.1
167.08493	3.8
169.10204	2.3
171.07968	2.9
171.11710	22.6
177.12743	8.5
184.05070	3.2
185.05986	11.0
185.09595	5.0
185.13248	5.5
195.08107	2.8
195.10110	4.3
195.11787	4.4
195.13799	8.8
198.06667	2.5
213.05475	77.8
213.09145	17.4
213.12752	11.4
213.16399	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	213.1484
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
53.03933	3.1
54.03226	1.9
55.05508	27.8
57.03416	3.5
57.05383	2.0
57.07083	9.6
62.61078	1.8
67.05505	12.0
67.05790	1.8
69.07062	8.1
71.04989	2.3
71.51798	2.1
79.05505	11.4
81.07051	11.9
83.04971	12.6
83.08627	3.4
85.06540	8.8
87.80563	1.9
88.07630	4.4
91.05469	9.4
92.24939	1.7
93.07038	21.3
95.04951	10.0
95.08602	18.5
97.06524	9.3
103.05455	2.5
105.07050	9.5
107.04945	19.9
107.08585	22.3
109.02879	1.9
109.06506	7.4
109.10157	5.2
111.04438	100.0
111.08056	5.1
113.06002	2.5
117.07052	2.6
119.08567	7.4
121.06500	5.9
121.10137	4.8
123.04454	2.2
123.08119	2.0
125.05993	38.4
127.07557	5.1
128.06178	2.2
129.06982	4.7
131.08508	2.9
133.02867	2.0
133.10104	1.9
135.08061	17.1
135.11690	17.5
139.07529	3.9
142.07809	4.4
143.08551	5.5
145.10104	16.2
149.05954	3.0
151.03915	7.2
153.05484	3.3
153.12741	6.0
155.06902	2.0
155.08566	3.4
156.09299	3.6
157.10117	8.7
163.11159	21.5
165.06998	2.2
167.07074	7.3
169.10152	2.6
171.07967	2.2
171.11699	8.6
177.05458	3.1
181.12225	41.8
183.08118	2.3
185.05881	2.9
185.13292	4.5
188.07945	1.9
195.11865	3.7
195.13834	6.1
213.05438	4.5
213.09378	2.6
213.12721	8.5
213.16394	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	213.1484
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58326	6.5
55.01868	10.7
55.05494	25.0
57.03427	11.1
57.07056	10.0
67.05505	82.1
69.07056	33.4
69.22503	37.2
69.22933	33.3
70.06569	7.4
71.04964	13.2
79.05491	58.2
81.03427	8.8
81.07050	100.0
83.04942	8.0
83.08614	19.7
85.02891	8.6
88.07620	9.6
91.05474	29.6
93.07045	66.6
95.04962	28.5
95.08598	25.7
97.06518	20.6
103.05434	15.9
105.07020	19.5
107.04958	78.3
107.08585	32.4
109.02921	9.0
109.10115	7.3
111.08088	11.8
117.06978	10.7
121.06525	8.3
121.10131	20.2
123.04420	8.0
128.06229	11.0
128.44069	6.8
129.06993	17.5
131.08536	17.4
133.10182	11.2
135.08064	13.9
135.11696	10.3
142.07736	17.2
143.08563	32.2
145.10112	9.7
149.05959	7.4
149.13245	39.5
151.03868	39.6
153.05435	9.9
155.08540	18.5
156.09283	12.9
157.06494	13.2
157.10136	52.3
159.11674	21.3
163.07610	11.0
165.06979	17.5
167.07059	22.9
171.08002	10.3
171.11647	53.1
172.08766	7.3
177.12813	8.5
180.09343	18.2
185.09561	11.3
185.13234	17.4
195.06589	10.4
195.11758	18.5
198.10420	10.4
213.05490	34.6
213.12967	60.6
213.16362	81.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1483
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
55.05493	33.4
67.05482	66.3
69.07039	33.6
71.32010	21.3
79.05471	75.5
81.07037	100.0
83.04957	16.9
89.24168	13.8
91.05460	37.1
93.07014	61.9
95.04947	35.9
95.08559	19.1
97.06518	21.7
101.18636	14.1
105.07031	21.2
107.04925	67.8
107.08588	40.2
119.08480	17.5
120.79057	13.8
121.10137	27.9
129.06972	25.1
143.08557	30.8
145.10114	23.4
149.13240	29.3
151.03844	43.1
157.06448	28.6
157.10092	58.5
159.11639	29.1
167.07043	33.2
171.11647	23.9
213.05394	50.8
213.12747	49.1
213.16391	58.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1484
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01559	5.7
55.05506	24.0
56.96558	6.0
57.03432	11.0
65.83665	4.6
67.05506	65.9
69.03427	7.7
69.07069	37.1
71.04986	18.6
71.31767	10.3
79.05488	50.1
80.10751	5.2
81.07055	99.3
83.04973	8.3
83.08606	16.2
88.07616	11.0
91.05450	28.0
93.07045	70.8
93.61919	5.8
95.04987	11.7
95.08603	32.9
97.06536	25.2
97.10168	5.1
105.07018	22.1
107.04946	16.2
107.08594	29.1
109.06527	8.7
109.10131	6.1
111.08056	7.9
117.07016	25.5
119.08582	30.5
121.06466	7.8
121.10104	25.2
125.02351	7.1
128.06244	16.7
129.07031	28.2
131.08562	20.9
133.10138	19.7
135.11710	14.9
137.05923	10.5
140.85872	6.6
141.06937	7.1
142.07768	12.3
143.08604	33.0
143.98717	6.2
145.10139	38.1
149.13214	34.7
156.09413	7.3
157.10150	49.1
159.11700	17.0
165.07042	6.7
167.07089	10.2
169.10158	13.9
171.11696	53.4
185.05898	6.0
185.13313	11.1
194.66763	4.8
195.13795	12.6
213.05496	24.0
213.09138	13.8
213.12708	17.1
213.16406	100.0
213.18398	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	213.112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.9
55.01854	0.9
55.05503	0.4
57.03432	0.4
63.87429	0.4
65.03938	0.6
67.05504	1.2
69.03467	0.4
70.00563	0.4
71.08729	1.1
76.54005	0.4
77.03930	0.8
78.04732	1.9
79.05494	9.0
80.05828	0.6
81.07041	1.0
91.05480	4.3
93.03416	0.4
93.07050	0.6
95.04987	3.1
98.70132	0.5
103.05467	9.1
103.76578	0.4
105.04517	0.6
105.07040	6.6
106.04170	1.8
107.04955	57.4
107.08545	0.6
108.05296	0.9
109.02841	0.5
109.06530	0.9
110.03670	0.5
111.04382	0.6
115.05453	3.8
117.07030	1.6
117.09090	0.4
119.04915	0.5
120.05765	2.0
121.06508	1.1
122.03625	0.4
123.04432	6.2
124.05264	3.8
125.02384	0.5
125.04974	1.2
125.06011	1.2
128.06166	0.5
129.06981	0.9
131.04947	2.4
133.02824	0.4
133.06471	0.5
135.07018	0.8
135.08051	15.3
137.05977	1.7
139.03891	1.2
143.08568	0.5
145.07603	0.9
147.04370	1.0
149.06018	0.6
151.03905	2.2
151.07599	0.8
152.04707	2.3
153.05438	0.6
153.08040	1.2
154.06262	2.8
157.10101	0.8
163.07547	26.9
164.08241	0.5
165.05505	0.7
167.07039	100.0
168.07430	1.8
169.08127	1.7
179.07002	1.3
180.07782	4.3
181.07515	6.1
184.05148	0.6
185.09756	0.8
189.24374	0.4
195.08394	0.9
195.10184	12.4
198.06613	0.4
203.38748	0.4
213.05482	1.4
213.09042	0.9
213.11113	1.8
213.16293	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1121
Annotation	1-(3,4-Dimethoxyphenyl)-1,3-propanediol
Peak:m/z	Relative Intensity
53.00313	0.3
53.03944	0.9
55.01876	1.1
55.05498	0.4
57.03467	0.3
59.80767	0.3
65.03947	0.3
67.05507	0.7
70.67011	0.5
70.67356	0.5
77.03905	0.5
78.04705	2.5
79.05029	0.5
79.05491	8.3
81.07065	0.9
83.04958	0.4
85.49522	0.2
91.05480	4.0
92.06283	0.4
93.03381	0.4
93.07043	1.1
94.04182	0.4
95.04966	3.4
96.05769	0.4
98.97588	0.4
100.02349	0.3
103.05465	7.2
103.29247	0.3
105.04506	0.5
105.07027	5.0
106.04174	1.5
107.04952	59.2
107.08582	1.1
108.05242	0.6
109.02880	0.5
109.06525	0.7
110.03622	0.4
111.04465	0.6
111.08068	0.6
115.05455	3.3
117.07024	1.3
119.04800	0.5
120.05731	1.8
121.06508	1.0
122.03641	0.8
123.04427	6.2
124.05212	3.2
125.05966	1.0
131.04938	2.6
133.02844	0.5
133.06506	0.5
134.03650	0.7
135.04466	0.5
135.08047	15.4
137.05988	1.3
139.03889	1.0
139.07574	0.2
140.04733	0.4
141.05501	0.4
145.06497	0.5
145.07588	1.3
147.04375	1.0
149.05969	1.0
151.03893	2.7
151.07524	0.3
152.04662	2.0
153.05464	0.5
154.06236	1.9
163.07539	27.1
164.07874	0.4
165.05478	0.6
167.07028	100.0
168.07332	1.5
169.04947	0.4
180.07819	4.2
181.08592	0.5
195.10167	16.6
196.10472	0.4
213.11214	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1119
Annotation	1-(3,4-Dimethoxyphenyl)-1,3-propanediol
Peak:m/z	Relative Intensity
51.02378	0.3
53.03942	1.5
55.01868	1.4
55.05517	0.4
65.03900	0.4
67.05498	0.8
70.50240	1.0
77.03918	0.4
78.04694	2.3
79.05488	10.2
81.03397	0.4
81.07053	1.0
85.06554	0.7
86.09762	0.5
91.05479	4.6
93.03392	0.5
93.07042	1.0
95.04957	3.5
95.08590	0.4
96.05757	0.4
103.05459	9.0
105.03365	0.7
105.04469	0.5
105.07022	6.2
106.04153	2.1
107.04949	62.3
107.08597	0.5
108.05269	0.9
109.02855	1.0
109.06535	0.8
110.03682	0.4
115.05451	3.8
115.09233	0.3
116.06210	0.4
117.07011	1.3
119.04942	0.6
120.05706	2.3
121.06464	0.7
121.10102	0.5
122.03645	0.6
123.04424	6.3
124.05241	3.1
125.02386	0.4
125.04906	0.3
125.05988	1.4
127.03916	0.4
128.06270	0.4
129.07028	0.4
131.04935	2.5
133.02811	0.8
133.06464	0.4
134.03639	0.6
135.04405	0.6
135.08049	14.3
137.05989	1.1
139.03865	0.9
142.07680	0.3
145.06502	0.5
145.07579	1.5
147.04417	1.2
148.05141	0.5
149.05956	1.2
149.13168	0.4
151.03888	3.0
152.04694	2.0
153.05505	0.6
154.06239	2.2
157.06503	0.3
157.10121	0.6
163.07535	26.1
164.07903	0.5
165.05409	0.9
167.07025	100.0
168.07358	1.8
169.07985	0.4
180.07825	3.4
181.07506	1.0
185.09578	0.5
195.10168	14.4
213.05537	0.7
213.09062	1.0
213.11192	2.2
213.16335	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1121
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.6
53.03946	2.7
55.01850	1.5
55.05508	1.0
57.03435	0.5
62.50761	0.4
65.03934	0.8
67.05489	2.1
69.03424	0.9
69.07043	0.8
69.19828	2.1
69.20249	3.5
70.06570	0.7
70.62068	0.5
71.04998	0.7
72.08152	1.0
73.40459	0.5
78.04698	2.1
79.05492	15.0
81.03410	2.3
81.07050	2.8
83.01311	0.8
83.04990	1.1
86.09687	2.0
90.86784	0.5
91.05481	5.3
93.07035	1.9
94.04225	0.8
95.04967	22.9
95.08590	0.8
96.05222	0.5
97.06512	2.3
98.97587	3.7
103.05466	9.3
105.03422	1.1
105.04507	1.4
105.07031	6.2
106.04150	1.9
107.04954	66.6
107.08576	1.2
108.05266	0.8
109.02869	4.6
109.06522	1.6
111.08122	1.1
115.05454	4.4
116.98622	1.6
117.07007	1.6
119.04898	1.2
120.05775	2.6
121.06505	2.3
122.03650	0.7
123.04430	21.2
123.69443	0.5
124.05173	2.2
125.02335	1.5
125.04926	1.8
125.05991	3.5
127.03937	3.5
128.06181	0.7
129.07045	0.7
131.04921	3.1
133.02858	1.8
133.06500	1.5
134.99635	0.6
135.04395	1.9
135.08052	14.9
137.05954	1.6
139.03908	3.0
139.07542	0.6
141.05458	18.8
142.05780	0.6
143.08633	0.7
145.06514	0.6
145.07582	1.7
147.04428	1.5
149.05997	2.1
150.60262	0.7
151.03912	6.8
151.07533	1.2
152.04628	2.0
152.07822	0.6
153.05481	6.4
153.08147	1.1
154.06192	1.9
157.06523	0.7
161.05934	0.5
163.07545	26.9
165.05524	2.8
167.07036	100.0
168.07413	2.1
169.04951	1.0
169.08070	0.6
171.06535	8.3
177.00717	0.8
177.05412	1.0
179.07039	1.2
180.07742	2.4
181.07524	6.7
185.05910	0.6
195.06546	1.9
195.10182	17.9
213.05496	1.2
213.07393	1.2
213.09174	1.2
213.11205	1.4
213.16325	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0757
Annotation	C-veratroylglycol
Peak:m/z	Relative Intensity
53.03936	6.4
53.37157	1.7
55.01865	2.9
55.05518	2.6
67.05489	4.6
69.03423	1.9
71.01344	2.7
71.04988	2.3
71.50921	2.3
71.51322	2.3
79.05492	34.1
81.03445	4.7
81.07047	6.6
85.05702	1.7
91.05492	5.2
93.07045	7.0
95.01373	1.9
95.04967	29.8
95.08640	2.4
97.02885	5.9
97.06533	2.9
98.97569	2.7
103.05447	8.7
105.03417	3.3
105.07040	5.3
107.04957	100.0
108.05287	1.8
109.02890	11.0
109.06502	4.7
121.06509	7.2
123.04433	9.3
125.02364	12.6
125.06005	4.3
127.03881	2.2
129.07030	3.8
131.04985	3.8
133.02852	7.8
134.92621	2.3
135.04401	2.7
135.08086	4.9
142.07767	3.3
143.08560	2.8
149.06026	10.6
151.03903	59.1
152.04285	1.9
153.05453	10.2
155.08549	2.9
157.10139	5.6
163.07527	8.0
167.07063	26.1
167.08452	3.5
171.11729	4.7
177.05472	6.3
194.16202	1.8
195.06476	4.9
195.10104	2.9
205.06744	1.9
208.39323	1.9
213.03406	1.6
213.05608	9.4
213.09192	9.6
213.12782	6.3
213.16306	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	213.0757
Annotation	C-veratroylglycol
Peak:m/z	Relative Intensity
51.18748	1.8
52.54039	2.1
53.03938	5.3
55.01863	2.2
67.05498	4.9
67.56974	1.9
69.03413	2.6
71.01338	3.9
71.02866	3.7
79.05488	32.8
81.03409	6.5
81.07039	5.6
91.05479	6.1
93.07042	4.3
95.04966	36.0
97.02894	5.0
97.06524	3.8
98.21464	2.3
102.69736	2.0
103.05476	9.0
105.03392	4.2
105.04507	2.2
105.07009	2.3
107.04955	100.0
107.08610	1.7
109.02906	13.7
109.06501	6.3
121.06511	10.7
123.04406	9.6
125.02354	13.6
125.05998	4.8
131.04900	3.3
133.02863	14.8
135.04391	3.5
135.07968	2.3
139.18930	2.3
140.85620	2.0
149.05913	10.5
151.03900	65.7
153.05476	11.0
161.76816	2.1
167.06993	4.2
177.05450	6.0
189.08029	2.2
195.06490	2.9
213.07617	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	213.0756
Annotation	C-veratroylglycol
Peak:m/z	Relative Intensity
53.03933	6.6
57.83007	1.8
60.81651	1.9
65.41131	2.0
67.05495	2.8
70.99235	4.4
71.01337	3.2
79.05495	29.4
79.54745	1.8
81.03421	3.3
81.07049	6.0
91.05461	4.5
92.97234	1.9
93.07031	2.8
93.25999	1.7
95.04968	34.8
97.02868	5.5
103.05461	8.3
105.03408	3.6
105.04495	2.5
105.06968	2.5
107.04955	100.0
108.05235	2.5
109.02892	12.0
109.06512	2.8
121.06489	9.1
123.04409	12.0
125.02375	13.4
125.05990	4.8
131.04918	4.2
133.02841	14.1
135.04401	2.5
149.06001	14.4
151.03906	67.7
153.05501	10.3
177.05461	6.7
195.06493	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	213.0756
Annotation	C-veratroylglycol
Peak:m/z	Relative Intensity
53.03943	5.0
55.01868	1.6
55.05510	2.6
56.96556	0.8
57.03438	0.9
57.64290	0.4
65.03946	0.9
67.05505	4.0
69.03429	1.7
69.07059	2.9
70.06591	0.9
71.01350	0.4
71.04982	1.6
71.45109	0.9
77.03928	1.3
78.04700	0.5
79.05489	18.4
79.29980	0.4
81.03410	5.6
81.07049	5.6
83.01342	3.9
83.05000	2.6
85.02913	0.9
86.09699	1.2
91.05492	3.1
93.07050	3.7
93.98450	0.5
95.01348	1.0
95.04964	80.2
95.08588	1.6
96.05297	1.3
97.02882	0.8
97.06526	9.2
97.23425	0.4
98.97567	3.8
99.04456	0.5
101.02383	0.7
103.05477	3.6
105.03343	1.0
105.04509	2.3
105.07018	2.6
105.21593	0.5
107.01273	0.5
107.04954	33.5
107.08601	1.1
108.05312	0.5
109.02877	17.5
109.06508	2.9
111.04470	1.1
111.08082	1.2
113.06021	0.8
115.05444	1.3
116.98619	1.8
117.06995	0.9
119.04887	0.5
121.06499	3.9
123.00802	1.3
123.04427	61.3
123.08025	1.0
124.04710	0.8
125.02350	5.3
125.05045	0.8
125.05986	8.4
126.02731	0.6
127.02968	0.8
127.03909	17.1
128.04224	0.5
128.06197	1.2
129.07007	1.3
131.04916	1.4
131.08548	0.5
133.02863	0.8
134.99693	1.0
135.04390	3.4
135.08037	5.7
137.06018	1.2
139.03889	11.8
141.05460	100.0
142.05814	1.4
142.07693	0.4
143.08513	1.0
149.05969	4.2
151.03917	6.7
151.07520	1.3
152.04703	0.6
153.05464	29.6
154.05945	0.7
155.07056	0.8
157.06519	0.7
157.10100	1.0
158.99670	0.7
161.06001	0.5
163.07550	7.1
165.05495	4.4
167.07034	29.7
168.07495	0.5
169.04962	7.1
171.06523	51.4
172.06868	0.6
172.47485	0.5
177.00703	1.6
177.05424	1.5
180.07751	1.3
181.07466	1.4
181.08691	1.2
185.05922	0.7
185.13254	0.7
195.06526	5.1
195.08150	0.5
195.08476	0.5
195.10204	4.5
195.11732	0.9
213.05476	1.5
213.07552	5.8
213.09270	0.9
213.11046	3.9
213.12816	1.3
213.16382	1.0
231.58034	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1328
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
53.03937	5.4
53.52681	1.0
55.01859	6.7
55.05511	46.9
57.03438	9.1
65.03929	2.9
67.05503	32.2
69.03426	8.7
69.07062	10.8
69.23581	2.1
69.23978	12.4
71.04982	7.9
79.05489	34.6
81.03416	100.0
81.07050	32.6
83.04977	54.5
83.08617	33.0
85.06520	2.9
91.05476	39.7
93.07045	17.0
95.04969	36.6
95.08593	12.7
97.02882	4.8
97.06540	3.7
97.10159	8.6
99.08079	2.2
101.20908	1.2
105.07033	27.8
107.04947	6.6
107.08614	7.8
109.06485	5.0
109.10159	2.8
109.66843	1.2
111.04415	2.4
111.08073	13.6
115.05477	1.8
117.06990	1.8
119.04917	2.2
119.08579	21.6
121.06517	2.1
121.10160	7.6
123.04431	3.2
123.08072	2.9
125.02325	4.5
125.09596	2.7
129.06993	14.1
131.08578	13.1
133.06491	4.6
133.10129	11.3
137.05960	1.8
137.09595	3.6
141.05530	1.4
142.07768	4.4
145.10112	2.9
147.08034	5.1
147.11688	14.7
149.09647	6.2
151.07533	2.3
157.10129	13.3
165.12828	3.1
167.07021	5.3
175.11172	14.3
179.07042	4.8
191.39229	1.1
193.12233	38.0
211.11354	2.2
211.13258	17.3
211.15047	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1327
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
53.03938	6.9
55.01868	6.7
55.05506	43.7
56.90956	1.0
56.96557	1.7
57.03430	10.0
59.04994	2.0
62.87190	1.1
65.03939	1.7
66.36556	1.1
67.05502	35.8
69.03428	13.0
69.06789	1.0
69.07064	10.8
69.73611	1.0
70.82834	3.5
71.04985	5.6
73.58632	0.9
76.04961	1.0
77.03924	1.2
78.77022	1.0
79.05489	37.4
81.03415	100.0
81.07050	39.4
83.04975	54.3
83.05397	0.8
83.08614	35.8
85.02900	1.6
85.06532	3.5
91.04906	2.6
91.05474	46.2
93.03400	1.3
93.07034	24.4
95.04962	40.8
95.08597	16.1
97.02867	4.7
97.06541	6.7
97.10159	7.8
99.08131	1.4
105.04507	1.3
105.07024	30.3
107.04950	9.0
107.08572	10.8
109.02882	2.8
109.06522	8.1
109.10143	4.6
111.04436	3.5
111.08073	13.0
111.76243	1.3
113.05970	2.3
115.05430	3.2
117.07011	2.2
119.04932	1.8
119.07818	1.8
119.08586	20.3
121.06457	3.4
121.10127	8.3
123.04472	5.9
123.08025	5.5
123.11705	1.8
125.02351	13.8
125.05968	1.1
125.09632	3.0
127.03947	2.2
128.06224	2.0
129.07014	13.5
131.08562	13.4
133.06493	5.2
133.10126	14.1
137.05968	4.8
137.09602	3.5
141.05457	12.8
142.07765	3.3
147.08058	3.2
147.11671	15.5
149.09645	8.1
151.03893	2.2
151.07516	3.8
155.08510	1.4
157.10117	17.1
165.06992	4.6
165.12762	3.0
167.07056	15.7
167.08473	2.1
169.10135	1.2
175.11174	18.6
179.07022	7.2
181.08694	1.9
183.08102	2.5
183.11575	1.3
193.12212	34.9
194.12637	1.3
196.12416	1.3
211.05826	2.1
211.07536	9.2
211.09602	3.2
211.11319	2.0
211.13176	18.0
211.14839	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1329
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
51.02376	1.1
53.03949	4.8
55.01873	6.3
55.05513	44.2
57.03445	8.3
59.04995	1.5
65.03940	1.7
67.05504	29.2
69.03433	12.7
69.07073	11.4
69.75462	3.2
69.75875	1.7
70.54813	0.7
71.04990	3.8
77.03932	0.9
79.05498	32.0
81.03420	100.0
81.07058	34.0
82.03755	1.4
83.04984	53.3
83.08247	0.8
83.08620	32.2
85.06534	3.2
91.05486	32.6
93.07047	20.2
95.04971	33.2
95.05579	1.7
95.08612	12.8
95.09914	0.8
95.37384	0.7
97.02883	4.0
97.06520	4.8
97.10165	8.6
99.08117	1.0
103.05460	0.8
105.07035	25.5
106.07430	0.9
107.04955	6.5
107.08597	8.1
109.06508	5.2
109.10184	3.4
111.04449	3.2
111.08088	12.4
113.06018	1.2
115.05498	2.1
117.07075	1.2
118.93980	0.7
119.04887	1.1
119.08582	19.2
121.06542	3.1
121.10136	6.8
123.04420	4.2
123.08085	3.3
123.11685	1.4
125.02352	6.1
125.09657	2.8
127.07574	1.5
129.07007	12.9
131.08571	12.7
133.06503	4.6
133.10149	9.3
137.05975	1.3
137.09650	1.7
142.07774	2.5
145.10126	2.3
147.08058	3.2
147.11676	15.2
149.05943	1.0
149.09622	8.0
151.03806	0.8
151.07538	1.5
157.10135	16.3
157.11345	1.3
164.71823	0.9
165.12764	3.3
167.07040	6.7
175.11192	18.7
179.07076	5.2
193.12244	38.9
194.12593	0.8
211.13275	15.5
212.13725	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	0.6
53.03956	2.5
55.01872	2.1
55.05515	0.9
56.24738	0.4
56.96563	2.8
57.03450	2.0
57.59934	0.4
65.03927	1.5
66.04714	0.7
66.39900	0.4
67.05502	3.4
69.03432	2.8
69.07096	0.9
69.23759	1.0
69.24183	3.6
70.06599	0.7
71.04987	0.5
72.08141	0.4
73.02890	0.7
77.03929	0.7
78.04713	4.5
79.05495	4.3
81.03419	2.4
81.07059	2.7
83.04967	1.7
84.08141	0.4
85.02913	2.5
87.04468	0.9
91.05481	15.8
93.03423	0.5
93.07044	11.0
93.49798	0.4
95.01316	0.5
95.04967	14.9
95.05987	0.6
95.06979	0.5
95.08592	1.5
96.05770	0.6
97.02896	3.2
97.06510	0.7
98.97572	2.9
99.04464	0.5
103.05471	9.8
105.03388	1.3
105.04512	1.2
105.07043	5.2
106.04169	2.4
107.04946	2.5
107.08601	0.5
109.02885	1.2
109.06524	2.3
109.10171	0.8
110.97555	0.6
111.04454	0.7
111.05527	0.5
111.08035	0.4
115.05441	0.7
116.98625	2.2
119.01816	1.3
119.04925	3.6
119.08553	1.0
121.02876	0.7
121.06505	18.6
121.07402	0.9
122.03686	0.5
122.06022	0.8
123.00718	0.4
123.04431	12.3
123.08098	1.0
124.05240	3.4
125.02361	9.9
125.06052	0.4
128.02226	0.5
128.98608	1.3
131.06044	0.8
133.06500	3.3
133.10185	0.7
134.03610	0.8
134.99643	1.2
135.04446	1.0
137.05971	8.8
139.03935	0.7
140.02295	0.6
141.05403	0.5
143.99370	0.5
146.99644	0.6
147.04384	1.9
149.05984	33.3
150.06450	0.5
151.03909	11.1
151.07492	1.1
151.11151	0.4
152.04684	2.2
155.04614	0.9
155.06943	0.5
158.99648	1.3
161.01317	0.4
161.05984	4.4
161.07907	0.5
163.03874	1.0
163.97745	1.1
165.05486	3.6
165.09099	0.5
166.04970	0.9
166.06267	7.4
166.08540	0.5
167.07039	100.0
168.07382	1.3
169.04933	1.0
177.00700	1.4
179.07120	0.6
179.08879	0.9
180.07832	2.2
181.08595	24.9
189.00694	1.1
192.48747	0.4
193.04984	2.2
193.08698	0.8
193.10603	0.9
193.12183	0.9
205.98778	0.9
211.05977	1.0
211.07828	0.7
211.09650	2.9
211.11581	5.1
212.09198	1.2
219.01813	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0964
Annotation	Methyl 2,4-dihydroxy-3,5,6-trimethylbenzoate
Peak:m/z	Relative Intensity
51.02389	2.1
53.03946	7.5
55.01871	13.7
55.05497	5.4
59.04986	1.9
65.03934	4.6
67.05499	12.0
67.19973	1.2
69.03428	6.2
69.07059	3.0
69.25273	12.1
69.25691	3.1
71.04977	2.7
77.03942	1.6
78.04700	3.2
79.05492	36.4
81.03422	9.3
81.07056	14.1
83.04986	3.7
85.02865	2.3
85.06546	2.0
91.05481	100.0
92.05796	2.6
93.07041	33.3
95.04969	27.9
95.08595	15.2
96.05298	4.2
97.02886	1.7
97.05388	2.3
97.06528	2.7
103.05466	13.7
105.03397	12.1
105.04520	3.2
105.06307	3.1
105.07024	64.7
106.04140	2.1
107.04956	36.0
107.08574	5.6
108.05718	5.1
109.02859	2.1
109.06523	26.8
109.10139	2.4
111.04428	2.4
111.08072	4.3
115.05466	1.8
118.04156	5.0
119.04938	77.2
119.08560	2.2
121.06499	41.4
122.07298	2.0
123.04424	10.0
123.08068	22.7
124.05205	2.3
125.02357	11.1
125.09602	3.9
131.04935	2.2
132.05748	2.1
133.06491	39.4
134.03621	12.0
135.04402	3.1
135.08035	5.5
136.05190	2.8
137.05969	11.7
137.09630	10.2
139.07539	1.7
141.05502	1.9
147.04384	12.5
149.05972	32.7
151.03940	8.6
151.07538	57.3
153.05458	10.0
153.09103	3.8
157.10287	1.5
159.04408	1.6
161.05988	13.7
163.03633	1.5
165.05447	3.0
165.09135	5.2
165.12837	1.5
166.06204	2.7
167.07047	44.2
168.07811	7.0
169.08601	2.7
170.45316	1.9
179.07018	23.6
181.08640	10.1
191.07008	2.8
193.08635	9.1
196.07350	1.7
197.08087	3.0
209.08049	2.1
211.07664	2.8
211.09622	29.3
211.11517	1.9
211.13142	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0964
Annotation	Methyl 2,4-dihydroxy-3,5,6-trimethylbenzoate
Peak:m/z	Relative Intensity
53.03941	8.7
55.01856	3.1
55.05511	5.9
65.03938	1.4
67.05508	11.2
69.03421	2.4
69.62206	2.8
69.62623	4.2
69.63069	0.9
71.04979	1.2
73.39929	0.9
74.44318	1.1
79.05493	21.3
81.03419	7.5
81.06602	1.8
81.07058	26.7
83.01352	1.1
83.04971	4.7
91.05471	9.3
93.07047	9.8
94.25350	0.9
95.01382	0.9
95.04969	47.6
95.08613	10.2
95.37761	0.9
96.38791	0.9
97.02884	1.3
98.21574	2.2
101.09098	1.2
103.05453	2.8
105.03417	1.6
105.07037	16.4
107.04948	12.4
108.05765	1.6
109.02873	27.3
109.05804	2.0
109.06513	26.6
111.04456	6.5
111.08084	58.4
113.05975	3.8
117.06996	1.9
119.04913	1.5
121.06545	5.3
123.04445	8.6
123.08058	10.1
125.02364	5.3
127.03922	6.1
133.06482	16.5
135.04417	3.1
137.05977	13.0
141.05463	100.0
142.05821	1.7
149.05986	1.2
151.03911	31.3
151.07530	18.9
153.05443	2.7
161.06007	7.3
165.05489	9.2
167.07039	11.7
176.10172	0.9
179.07043	38.6
183.06528	1.3
193.08711	3.2
211.09637	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	211.06
Annotation	5-Hydroxyferulic acid methyl ester
Peak:m/z	Relative Intensity
51.02370	0.7
53.03946	4.7
57.03431	0.6
65.03939	0.9
67.05508	6.5
69.63141	4.3
71.01327	1.0
72.77251	0.5
77.03941	1.8
79.05495	4.2
81.03416	2.1
81.07053	3.2
83.05009	0.9
91.05480	6.5
93.07035	1.6
95.01331	0.8
95.04970	78.7
95.08613	1.1
97.02890	1.0
98.20765	1.3
103.05487	1.0
105.03391	1.7
105.04519	1.7
105.06425	0.6
105.07023	4.0
107.04961	1.9
109.02867	2.1
109.06509	4.1
111.08082	7.4
119.04933	5.9
121.06516	1.2
123.00807	1.6
123.04430	22.2
123.08063	1.5
125.02361	4.0
127.03905	0.8
133.02893	0.9
133.06490	2.0
135.04393	0.7
137.05959	3.0
138.44501	0.6
141.05463	9.0
147.04384	6.4
149.06032	0.6
151.03906	100.0
151.07541	2.1
152.04277	1.3
161.05998	0.9
165.05458	1.7
167.07077	2.1
169.05042	0.9
175.03902	4.5
179.07040	4.2
193.04956	2.4
211.09622	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.1124
Annotation	Anhalamine
Peak:m/z	Relative Intensity
52.94192	0.3
53.03931	0.9
55.01852	0.9
55.05490	0.9
56.02195	0.3
56.96561	1.8
57.03426	0.5
58.06586	0.4
63.96286	0.3
64.34094	0.3
65.03929	0.7
67.05499	2.2
69.03415	1.4
69.07030	0.6
70.06573	0.4
70.81610	0.5
70.81956	0.6
71.04993	0.7
71.64701	0.3
72.08123	0.4
72.93735	0.3
73.02905	0.5
77.03930	0.4
78.04687	0.5
79.05500	2.6
80.05796	0.6
81.03405	1.2
81.07043	1.4
83.04970	0.8
83.06078	0.4
84.08157	0.5
85.02892	0.9
91.05479	5.0
92.05801	0.4
93.07058	1.5
94.06546	0.3
94.07386	0.5
95.04962	6.3
97.02884	1.4
98.97552	1.4
103.05423	1.3
104.05785	0.4
105.04510	0.4
105.07021	2.1
106.06547	0.4
107.04932	1.3
107.08590	0.4
108.05398	0.3
108.08103	1.7
108.08784	0.4
109.02866	1.8
109.06487	1.1
110.03194	1.5
110.06014	0.4
115.05445	0.6
115.69038	0.3
116.61285	0.3
116.98619	0.9
117.05767	3.8
117.07027	0.4
118.06529	0.8
119.04930	1.3
119.07343	0.5
120.08086	1.0
121.06468	1.4
121.08884	0.5
122.05994	0.9
122.06823	0.5
122.09647	1.4
123.04415	3.3
123.08079	0.4
124.03936	0.3
125.02354	4.6
125.10881	0.3
129.06992	0.3
131.04869	0.3
131.07303	0.8
132.08083	8.1
134.05978	0.8
134.88106	0.3
134.99611	0.5
136.07513	0.5
137.06013	1.7
139.03806	0.4
141.05467	0.5
145.03531	0.3
146.05989	0.9
146.09666	0.5
146.97453	0.3
146.99609	0.5
147.04404	1.3
149.05972	1.9
150.05360	0.5
150.06441	0.5
150.09103	3.3
150.10181	0.3
151.03882	5.8
151.07460	0.4
152.07095	0.9
158.99565	0.4
160.07571	15.3
163.03900	0.9
163.97684	0.4
164.07004	0.5
164.10693	6.0
164.11993	0.4
165.05551	1.5
166.06203	0.4
166.08572	1.5
167.07036	6.1
169.04967	0.6
175.03929	0.4
177.00685	0.5
178.05803	1.4
178.08620	12.1
180.06529	3.2
181.08580	1.4
181.98726	0.4
188.12328	0.5
192.10187	30.6
193.04924	0.5
193.10645	0.9
194.08115	2.6
195.08890	3.8
201.40594	0.3
205.98705	0.3
210.11244	100.0
211.05977	0.5
211.09723	0.6
211.11536	2.5
233.04863	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
51.81290	1.9
53.23978	1.8
55.01866	3.6
55.05496	7.1
57.07066	3.9
59.43838	1.8
65.03925	3.8
67.05505	9.1
69.03441	12.6
69.07069	13.1
70.63923	2.1
70.75999	1.8
71.04981	6.0
71.24967	3.8
79.05497	12.2
81.07055	23.3
83.04973	7.8
83.08620	6.1
88.29381	1.7
91.05476	18.8
91.73987	1.9
93.03429	2.0
93.07055	13.6
95.04952	7.4
95.08608	22.4
97.06541	4.7
105.07045	15.8
106.04168	8.9
107.04943	5.4
107.08595	45.3
109.02879	4.2
109.06515	19.7
109.10149	17.6
111.08070	2.8
115.05423	3.5
117.07011	4.2
119.08522	6.0
121.06500	10.9
121.10147	34.4
122.07273	9.1
123.08121	9.0
123.11700	3.5
125.05952	2.7
125.09634	7.7
131.08575	5.0
133.10136	100.0
134.41000	2.1
135.08066	29.3
135.11676	5.2
137.09619	72.0
139.11177	2.0
143.76086	2.1
147.11685	7.8
149.05951	10.2
149.09630	6.8
149.13258	25.1
151.11183	64.4
153.09116	4.1
158.10928	4.9
163.14796	6.7
165.12796	16.1
173.13310	10.4
173.43956	2.1
177.05489	4.5
191.14262	29.1
209.15353	9.5
222.31004	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03942	3.4
55.01872	14.7
55.05510	26.0
57.03428	1.6
57.07069	5.0
59.04999	1.2
65.03938	1.5
67.05503	17.1
67.05843	1.3
69.03441	1.5
69.07070	4.6
71.01347	1.8
71.04982	1.5
71.06347	1.1
75.61723	0.6
77.03941	1.0
79.05490	21.5
81.03413	4.5
81.07053	22.4
83.04977	100.0
83.08605	4.5
84.24616	0.6
85.06541	2.8
87.04483	1.9
89.03899	0.6
91.05473	12.1
93.07041	30.7
95.04962	10.0
95.08599	18.5
97.06501	3.1
97.10144	1.5
103.05482	5.8
105.03397	1.7
105.04499	0.9
105.07011	4.6
106.04178	1.0
107.04955	16.4
107.08588	19.9
109.02879	25.7
109.06520	8.2
109.10153	6.2
111.04443	2.7
111.08076	9.8
117.03384	2.1
117.06995	2.3
117.95947	0.8
118.04207	0.6
119.04958	1.1
119.08613	2.7
121.06508	11.8
121.10131	11.3
123.04413	1.8
123.08057	2.0
123.11677	2.5
125.05987	1.5
125.09595	3.5
131.04924	2.2
131.08565	3.9
133.02844	0.8
133.06491	0.6
133.10103	2.6
134.03642	1.0
135.04410	2.7
135.08026	5.9
135.11700	2.4
137.05960	1.6
137.09625	1.1
139.03922	1.6
139.07535	1.5
139.11148	0.7
141.05443	2.0
145.02861	2.5
145.10104	2.6
147.04346	1.2
147.11691	2.3
148.05106	0.9
149.02353	0.7
149.05988	9.8
149.09619	3.2
149.13249	9.8
151.03867	0.9
151.11168	1.0
153.05444	2.4
153.09062	3.2
159.04436	1.0
163.03908	1.4
163.07556	1.6
163.11214	1.4
163.14839	7.3
165.05516	4.9
165.06824	1.2
165.12740	4.6
166.07823	0.9
167.03581	0.6
167.07022	8.4
167.14310	1.2
173.13274	3.4
176.04756	0.8
177.03903	0.7
177.05446	13.7
179.08516	1.5
181.04932	1.4
181.06410	0.6
181.08559	1.4
181.15904	1.3
191.06995	4.1
191.14299	5.4
194.10941	0.9
195.06529	0.8
201.62790	0.7
209.04329	1.5
209.06067	1.5
209.07910	6.2
209.09686	1.5
209.11659	1.7
209.13429	1.8
209.15340	40.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
55.05512	5.7
56.57585	1.8
67.05489	4.2
69.03432	6.8
69.07066	3.9
71.24879	3.5
71.25204	2.1
79.05505	10.1
81.07056	18.3
82.63297	1.7
91.05476	12.9
93.07047	6.0
95.04976	2.6
95.08610	4.3
103.05489	3.1
105.07030	8.1
106.04191	2.1
107.04980	3.0
107.08606	26.2
109.02872	7.2
109.06519	11.9
109.10186	9.2
115.05455	4.8
117.07021	4.8
119.08584	3.9
121.06551	5.2
121.10146	16.6
122.07291	8.1
123.08068	2.0
131.08546	2.6
133.10135	100.0
135.08058	19.4
137.09630	66.3
145.94554	1.9
149.05998	6.0
149.13242	14.7
151.11150	2.4
165.12730	4.5
173.13295	6.7
177.05438	3.9
191.14377	3.8
209.15425	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	209.1535
Annotation	Prosopidione
Peak:m/z	Relative Intensity
53.03948	0.5
55.01879	1.2
55.05507	3.1
57.03439	0.4
59.04993	0.3
59.41961	0.3
65.03929	1.0
67.05498	2.1
69.07061	0.6
69.27271	2.0
69.27679	0.5
71.04989	4.3
79.05480	2.1
81.03419	0.7
81.07056	1.7
83.04977	3.5
83.08605	1.3
84.55578	0.3
85.06532	0.8
90.63907	0.4
91.05491	1.5
93.03390	0.5
93.07043	3.0
95.04961	100.0
95.08595	0.8
96.05296	0.8
97.06503	1.4
97.10155	0.5
98.20773	0.4
99.04449	17.7
99.08071	0.5
100.04752	0.3
103.05467	0.6
105.04498	0.3
105.07029	1.3
106.04179	1.7
107.04921	1.6
107.08578	1.3
109.02867	2.8
109.06508	2.8
109.10182	1.2
111.08076	1.5
115.07558	0.4
119.08556	0.4
121.06505	2.5
121.10120	1.1
123.04424	0.4
123.08065	0.4
123.11679	0.7
125.09634	0.8
131.04936	0.5
131.08569	0.5
133.10121	3.5
135.07999	0.8
135.11713	0.3
137.05965	0.5
141.05423	0.4
148.05194	0.5
149.05983	2.5
149.13252	0.8
149.49007	0.3
151.11169	2.4
153.09100	21.9
158.10840	0.3
163.14731	0.3
165.05449	0.7
167.07034	0.6
167.14317	3.2
173.13277	2.6
176.65727	0.3
177.05481	1.4
181.08582	0.4
191.06975	0.3
191.10590	0.3
191.14346	2.1
209.08070	0.9
209.15352	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	209.1535
Annotation	Prosopidione
Peak:m/z	Relative Intensity
53.03943	0.7
54.29001	0.3
55.01865	0.8
55.05508	3.0
57.03424	0.4
57.07064	0.3
59.04998	0.4
61.40762	0.3
65.03931	0.6
67.05506	2.0
69.03423	0.5
69.07057	0.5
69.48135	1.0
69.48560	1.3
71.04990	4.9
71.15291	0.3
79.05494	1.9
81.03431	0.5
81.07047	1.9
82.94382	0.2
83.04978	3.5
83.08620	1.4
85.06537	1.3
86.27991	0.3
86.91817	0.3
91.05473	1.0
93.03365	0.4
93.07040	2.7
95.04963	100.0
95.08584	0.7
96.05287	0.7
97.06522	1.2
97.10150	0.3
99.04449	17.6
101.09279	0.3
103.05471	0.6
105.07022	0.9
106.04165	1.0
107.04945	0.9
107.08595	1.6
109.02877	2.3
109.06513	3.3
109.10173	1.3
111.04465	0.3
111.08068	1.2
117.03354	0.3
119.08572	0.5
121.06469	1.7
121.10105	0.7
123.08082	0.7
123.11705	0.5
125.09638	0.6
128.42157	0.2
131.04930	0.3
131.08539	0.9
133.10126	3.5
134.03601	0.4
135.08041	0.9
137.05962	0.3
149.06009	1.7
149.13286	0.4
151.11176	2.7
153.09093	20.3
159.04388	0.4
165.05466	0.6
167.07030	0.6
167.14311	2.9
173.13281	2.6
177.05444	1.3
191.06966	0.5
191.14339	1.9
209.08040	1.0
209.15363	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	209.0808
Annotation	Methyl ferulate
Peak:m/z	Relative Intensity
51.02365	1.1
53.00291	2.2
53.03945	6.2
55.01877	4.1
55.05500	0.9
57.03437	0.8
65.03923	1.2
65.28635	0.8
65.52793	0.9
67.05494	1.3
69.03416	1.8
70.75449	2.0
77.03933	2.2
79.05491	14.4
79.82380	0.7
81.03409	2.6
81.07040	2.6
83.04967	1.5
85.02904	1.1
89.06013	1.0
91.05479	13.1
93.03414	1.5
93.07040	8.3
95.04967	11.4
95.08617	1.3
103.05469	59.8
104.06287	0.9
105.03402	1.8
105.04509	2.1
105.07020	3.2
106.04161	3.2
107.04951	9.1
107.08592	1.3
109.02880	6.9
109.06504	3.2
111.04434	1.0
117.06990	1.7
119.04931	3.0
119.08582	5.0
120.05714	1.2
121.06492	14.7
121.10121	1.0
123.04510	0.8
123.08087	1.1
125.05974	1.3
129.03250	0.8
131.04932	43.7
132.05762	3.9
135.04439	3.2
135.08031	3.4
137.05951	0.9
138.06651	1.1
141.05473	1.0
145.02887	0.9
145.06386	0.7
147.04396	3.3
148.05190	2.0
149.02339	1.4
149.05989	15.5
149.09612	1.3
151.03908	1.3
151.11156	0.9
153.05521	0.8
153.09094	2.0
159.04419	75.8
160.04669	0.9
163.03952	1.4
163.07521	2.6
165.05486	1.1
167.07060	2.2
167.14212	0.9
175.03900	1.7
176.04732	1.5
177.05473	36.6
179.07071	0.9
181.04909	1.5
189.05458	2.8
191.07033	65.8
195.06523	2.8
209.08092	100.0
209.15379	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0807
Annotation	Hofmeisterin
Peak:m/z	Relative Intensity
53.03935	6.4
55.01870	23.8
55.05509	10.4
57.07070	2.2
65.03947	3.2
65.50349	1.9
67.05502	43.5
69.07054	6.4
70.03130	8.7
71.01346	2.9
71.04975	1.8
79.05487	35.6
81.03427	12.7
81.06598	3.1
81.07052	50.2
83.01324	1.8
83.04971	6.9
83.08606	3.6
85.02922	1.7
85.06496	2.4
87.04433	2.4
91.05472	19.6
93.07038	33.2
94.04199	1.4
95.04966	17.8
95.08598	45.1
97.02895	7.5
97.06534	4.7
98.21380	2.2
99.04446	2.5
103.05449	13.8
105.03355	2.4
105.04501	2.4
105.06996	7.6
107.04951	34.1
107.08584	21.0
109.02872	100.0
109.06538	9.7
109.10156	10.0
111.04403	3.8
111.08078	2.5
114.15147	1.9
117.03367	1.7
117.06992	3.3
119.08580	3.2
121.06504	19.5
121.10120	6.8
123.04400	2.7
123.08070	2.9
125.05991	2.2
125.09617	2.5
131.04906	5.2
131.08542	7.5
133.02780	2.0
133.10066	2.5
135.04391	3.7
135.08005	4.5
135.11696	3.8
137.05981	2.5
139.03883	4.6
139.07584	2.4
141.05426	6.2
145.10104	6.8
147.04446	1.9
147.11688	2.8
148.05170	1.9
149.05971	20.7
149.09630	4.1
149.13252	8.3
153.05478	4.9
153.06792	1.6
153.09076	4.7
160.14900	1.5
163.03842	2.3
163.07422	1.7
163.11200	4.9
163.14845	3.3
163.66304	1.5
165.05475	9.5
165.12767	1.9
167.07037	11.8
173.09528	2.0
173.13321	7.6
177.05453	29.0
179.08446	2.0
181.04922	1.7
181.10010	1.8
191.07031	5.1
191.14326	7.3
209.04323	2.4
209.06166	2.6
209.08043	6.7
209.09840	3.2
209.11723	5.4
209.15269	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	209.0807
Annotation	Hofmeisterin
Peak:m/z	Relative Intensity
51.02379	1.4
53.03949	11.9
54.22809	1.2
55.01871	27.7
59.05003	3.2
67.05505	10.2
69.92866	1.3
70.06599	6.2
71.01347	4.8
77.03913	3.3
79.05490	45.5
81.03398	12.5
83.04984	1.6
87.04459	3.5
91.05480	23.9
93.03429	1.9
93.07047	21.5
94.04192	1.6
95.01318	2.5
95.04967	24.9
95.08606	3.4
95.13676	1.3
97.06535	2.3
99.04480	1.4
103.05460	13.1
105.03384	5.7
105.04517	3.5
105.07015	2.3
106.04170	6.5
107.04955	81.8
108.05837	1.3
109.02880	100.0
109.06512	11.6
111.04463	6.5
111.08089	1.9
121.06499	34.0
123.04424	5.9
125.02312	1.9
125.05962	3.3
131.04948	6.9
133.02859	2.5
133.06363	1.4
135.04428	13.6
137.05968	5.8
139.03888	8.1
139.07507	3.8
141.05458	10.6
149.05978	26.5
149.07141	1.9
151.03896	4.5
153.05467	4.9
153.09082	1.9
159.04431	3.6
163.07559	2.6
165.05461	28.5
165.06749	2.4
167.05658	2.5
167.07034	36.6
177.05486	27.9
181.08601	2.4
181.28125	1.4
195.06573	1.3
209.08075	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	209.0808
Annotation	Methyl ferulate
Peak:m/z	Relative Intensity
53.03948	5.9
55.01868	10.1
55.05500	2.1
59.04991	1.6
65.03933	4.5
67.05505	6.2
69.03412	1.1
69.07060	2.1
70.15008	4.6
71.01347	1.5
71.04970	1.6
75.04456	2.2
78.04704	4.2
79.05490	14.7
81.03414	5.3
81.07045	4.2
83.04967	3.1
85.02902	2.7
87.04453	2.7
89.03917	2.4
91.05474	20.8
93.03406	9.4
93.07049	12.5
95.04964	14.9
95.08572	2.5
97.02892	1.7
97.06525	4.4
103.05465	12.7
105.03350	2.1
105.04529	1.7
105.07024	3.1
106.04169	22.0
107.04300	1.8
107.04952	18.5
107.08572	2.9
109.02875	100.0
109.06512	9.9
109.10123	1.5
111.04432	2.8
111.08156	1.0
117.03359	1.8
119.04934	2.1
119.08560	1.4
121.06500	35.9
121.10135	2.7
122.06799	1.3
123.04427	6.1
123.08079	1.4
124.05198	1.4
125.05976	5.5
131.04944	5.2
133.10133	1.7
134.03633	3.5
135.04411	4.0
135.08057	2.0
135.11740	1.3
137.05957	4.7
139.03908	5.4
139.07524	2.4
141.05502	5.1
145.02827	2.1
145.10068	1.2
148.05190	2.9
149.05975	41.9
149.09641	2.8
149.13275	2.5
151.03891	4.7
151.11176	6.5
153.05482	1.7
153.09126	5.8
159.04439	3.5
163.07521	2.1
164.06967	1.2
165.05511	6.6
165.07413	1.8
165.12871	1.4
167.07021	6.4
173.13277	2.2
177.05455	30.9
181.08614	5.7
188.79018	1.0
191.07024	3.1
191.14217	5.0
195.06500	1.1
209.06209	2.1
209.08087	10.1
209.09927	3.0
209.15366	2.6
214.35892	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0808
Annotation	Hofmeisterin
Peak:m/z	Relative Intensity
53.03947	8.8
55.01871	28.9
55.05502	1.5
59.04988	2.1
63.79763	1.2
65.03939	2.2
67.05502	8.1
69.45974	5.8
69.46393	4.1
71.01351	4.0
77.03926	1.9
79.05494	42.1
81.03423	12.0
81.07051	4.3
83.04991	1.1
87.04469	3.0
91.05476	19.1
93.07048	22.3
94.04181	2.1
95.04964	21.8
95.08628	3.0
97.06506	2.2
98.21471	2.6
103.05472	16.0
105.03407	6.5
105.04521	3.5
105.07040	3.0
106.04160	3.1
107.04211	2.8
107.04955	77.3
109.02879	100.0
109.06515	10.1
111.04434	4.4
111.08094	1.7
121.06503	30.5
123.04442	5.8
123.08101	1.6
127.03910	2.0
131.04921	7.8
133.02879	2.9
135.04440	9.4
135.08049	1.4
137.05981	5.5
139.03926	8.1
139.07530	4.0
141.05460	11.2
149.05983	27.1
151.03903	4.5
153.05469	4.8
159.04396	2.7
159.80948	1.3
163.07552	2.0
164.07005	1.5
165.05490	25.0
167.07033	37.8
177.05460	29.2
181.08722	1.3
191.06924	1.3
194.05693	1.6
209.08076	8.9
209.10042	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	209.0807
Annotation	Methyl ferulate
Peak:m/z	Relative Intensity
53.03945	8.9
53.27265	1.3
55.01870	14.2
65.03938	14.9
67.05499	6.1
69.69286	10.6
69.69622	1.8
71.04985	1.5
73.00947	1.6
75.04472	8.2
77.03925	2.6
78.04707	11.6
79.05489	10.6
81.03407	3.6
81.07062	2.9
83.04963	1.6
85.02903	6.4
85.77396	1.4
88.80255	1.6
89.03899	7.8
89.06011	1.7
91.04903	3.4
91.05470	50.2
92.05816	2.0
93.03393	27.2
93.07038	22.7
94.04188	1.5
95.04959	19.2
95.08609	2.4
97.06542	9.8
103.05451	20.6
105.03371	2.9
105.04504	4.7
105.07027	1.6
106.04164	91.2
107.04984	10.7
108.05788	2.4
109.02850	12.9
109.06492	5.6
110.03667	2.5
111.04456	2.8
117.03386	5.3
118.04151	2.9
119.04958	3.7
120.05718	1.5
121.06493	87.8
122.03642	2.0
123.04446	5.0
123.08031	3.1
125.05989	23.3
131.04941	7.2
133.02829	2.4
134.03619	15.2
135.04408	7.7
137.05969	10.8
138.06747	3.7
139.07516	4.6
145.02852	5.2
147.04413	2.9
148.05179	11.5
149.05965	100.0
150.06340	2.3
151.03894	4.4
151.07578	3.4
153.05467	8.0
153.09103	14.8
159.04401	2.2
162.03058	2.0
163.03891	1.9
163.07527	5.1
165.05466	4.5
166.06271	5.2
167.07021	4.9
171.70435	1.3
177.05452	46.4
181.00542	1.5
181.08585	19.9
191.06987	7.9
194.05731	1.7
209.08067	19.9
209.15334	2.0
214.06714	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0807
Annotation	Methyl ferulate
Peak:m/z	Relative Intensity
50.03056	0.9
53.03930	4.1
55.01872	19.3
55.05504	3.5
59.04987	2.2
64.87782	1.0
65.03944	1.5
67.05515	5.6
69.03441	1.4
69.61803	7.2
71.01350	1.7
71.04965	1.5
79.05491	22.5
81.03409	5.5
81.07052	2.7
83.04968	6.4
83.08603	1.8
85.02933	1.0
87.04440	2.8
91.05477	10.4
93.07041	12.1
95.04964	18.7
95.08615	2.1
97.06509	2.2
99.04424	1.4
103.05450	9.2
105.03389	1.4
105.04472	1.4
105.07011	3.1
106.04161	2.5
107.04953	24.8
107.08617	1.6
109.02875	100.0
109.06513	15.3
109.10120	1.6
111.04463	3.1
111.08082	1.8
121.06502	22.0
121.10158	3.0
123.04404	6.6
123.08083	1.1
123.11709	1.4
125.02351	1.3
125.05970	2.4
125.09625	2.8
131.04912	5.1
133.02924	1.2
133.06531	1.6
133.10075	1.6
135.04425	5.8
135.08015	1.2
137.05978	3.3
137.44055	1.1
139.03902	5.6
139.07556	1.9
141.05457	11.4
149.05992	21.3
149.09612	1.9
151.03873	3.1
151.11171	2.5
153.05458	2.2
153.09087	2.6
159.04387	2.0
161.33043	1.2
163.07556	1.4
164.07079	1.3
165.05470	14.0
165.07428	2.5
167.07030	12.7
167.14290	2.8
177.05463	27.6
181.05026	1.5
181.08589	1.3
191.14232	1.2
193.64926	1.1
195.06561	1.5
208.09698	4.3
209.08072	5.3
209.10168	3.7
209.15428	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	209.0807
Annotation	Hofmeisterin
Peak:m/z	Relative Intensity
50.68072	1.1
51.02386	1.4
53.03955	7.8
54.82034	1.1
54.90951	1.2
55.01875	25.0
55.05513	1.7
59.05005	2.2
65.03944	1.9
67.05500	6.3
68.28398	1.3
69.27729	1.1
69.28382	9.2
71.01353	5.4
77.03921	2.3
79.05496	44.2
81.03425	13.1
81.07049	3.4
83.04982	1.6
85.02891	1.2
87.04476	3.7
91.05484	19.5
93.03427	1.8
93.07043	17.4
95.01316	2.1
95.04971	23.0
95.08588	3.9
99.04459	2.4
103.05463	13.8
105.03408	5.1
105.04510	3.1
105.07023	5.0
106.04166	3.5
107.04955	76.7
109.02879	100.0
109.06532	10.3
111.04442	4.4
111.08095	2.6
119.04977	1.2
121.06510	35.7
122.07204	1.2
123.04418	6.3
125.02336	1.5
125.05968	1.6
131.04958	7.2
133.02884	2.2
133.06444	1.4
135.04411	10.1
137.05966	5.3
139.03931	8.7
139.07550	3.5
141.05469	13.1
147.04436	1.4
149.05980	31.1
151.03899	5.9
153.05479	4.6
153.09076	1.5
159.04445	2.4
165.05464	27.5
167.07033	38.1
177.05470	30.4
181.04909	1.4
181.08641	2.8
195.06511	1.6
209.08127	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	209.0808
Annotation	Methyl ferulate
Peak:m/z	Relative Intensity
53.03944	7.5
53.19863	1.3
55.01870	12.6
65.03944	12.0
67.05502	5.9
75.04478	7.5
75.60190	1.6
76.65825	1.8
77.03933	2.8
78.04705	12.6
79.05487	9.9
81.03416	3.3
81.07037	2.1
85.02901	9.1
86.95844	1.4
89.03912	6.5
89.06003	2.9
91.05481	48.4
92.05759	1.7
93.03400	27.6
93.07034	12.4
95.04964	19.3
95.37500	1.4
97.06540	11.1
97.48926	1.6
98.20715	2.9
103.05471	20.9
105.03403	3.2
105.04524	4.2
105.06996	2.6
106.04171	68.9
107.04949	12.2
108.05701	2.0
109.02885	12.0
109.06527	4.4
111.00256	1.6
111.04441	3.3
114.64980	1.6
117.03374	4.6
118.04189	2.5
119.04951	2.8
120.05701	3.1
121.06501	69.1
122.07293	1.6
123.04408	4.8
123.08079	2.1
125.06000	19.7
130.66640	1.6
131.04915	8.9
131.05804	1.6
133.02821	1.6
134.03671	11.2
135.04407	4.8
137.05980	10.8
138.06731	4.0
139.03867	1.4
139.07513	4.4
145.02831	4.0
147.04396	3.2
148.05164	7.6
149.05978	100.0
151.03995	2.3
151.07558	3.0
153.05481	7.2
153.09067	15.3
159.04369	4.0
163.07558	5.4
165.05511	4.8
166.06221	2.5
167.07051	4.1
176.04703	2.5
177.05461	44.7
181.08594	17.2
183.67778	1.6
191.07014	6.2
209.08151	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	207.1743
Annotation	alpha-Irone
Peak:m/z	Relative Intensity
52.67914	1.2
53.00295	1.1
53.03940	8.0
55.01878	7.5
55.05508	26.3
55.72543	1.0
57.03423	3.5
57.07066	1.9
59.04987	1.4
65.03928	5.2
67.05502	100.0
69.03415	3.2
69.07067	29.8
69.94875	6.7
71.04972	4.0
71.74463	1.2
77.73046	1.1
79.05017	2.2
79.05490	63.2
81.03417	23.5
81.07053	89.8
83.04984	9.1
83.08619	14.6
85.06528	3.8
91.05483	38.0
93.07040	59.3
93.07640	2.5
94.07383	1.3
95.04968	10.7
95.08604	84.9
97.06532	7.1
97.10164	3.2
99.08080	4.5
103.05460	2.0
105.04551	1.4
105.07025	24.3
107.08588	43.1
108.08932	1.2
109.06517	6.3
109.10152	23.5
111.08067	6.7
111.11702	1.3
113.09634	1.3
115.96416	3.2
117.07012	2.3
118.04083	1.8
118.32184	1.3
119.04958	6.5
119.07796	2.0
119.08585	20.3
121.06490	2.2
121.10140	46.2
123.08066	7.8
123.11707	6.3
125.09614	3.0
128.06189	2.0
129.06979	1.6
130.47763	1.3
131.08549	3.8
133.06511	1.4
133.10124	20.5
133.97458	3.2
135.11690	16.4
137.09607	4.8
137.13214	1.3
143.08572	2.0
145.10141	3.3
147.04376	8.4
147.08110	2.5
147.11691	26.7
149.09624	3.5
149.13226	2.8
151.07584	1.7
151.11157	2.8
161.05981	1.8
161.09631	2.7
161.13274	5.0
164.04662	1.1
165.12685	2.3
171.11679	1.9
175.03894	7.3
189.09143	1.3
189.12730	4.6
189.16396	17.5
192.04227	2.4
192.69508	1.3
207.02945	2.4
207.06517	8.2
207.08275	2.3
207.11885	2.6
207.13814	9.6
207.17436	70.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	208.0454
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22571	0.6
53.87318	0.6
55.01873	1.1
55.05537	0.7
55.62568	0.7
56.96564	5.7
57.07081	1.0
58.99873	1.6
66.64948	0.6
67.05520	0.9
69.03427	0.6
71.50182	0.8
77.00919	1.3
81.03448	2.0
81.07072	0.7
81.40295	0.7
82.04149	0.6
95.01966	0.9
95.06034	0.7
95.08639	0.7
95.90819	0.6
98.97603	2.1
100.02484	1.7
101.00883	1.1
104.79156	0.6
106.00442	0.7
109.02904	2.0
115.02439	2.1
116.98637	3.7
118.03529	2.4
119.01935	6.9
120.02073	1.3
121.01681	2.9
127.00905	0.8
129.03999	1.3
131.01904	3.9
133.03458	2.2
134.03563	0.8
134.96260	0.6
134.99638	4.5
137.02968	6.1
137.14702	0.7
138.03059	0.9
139.02632	2.1
139.06023	0.6
141.03983	1.1
142.03505	2.3
143.01926	0.9
144.03209	3.4
145.03529	1.3
147.05063	2.1
149.00868	1.1
149.02992	1.1
153.00748	1.0
157.03474	8.8
157.04637	1.1
157.55138	0.7
159.05061	2.7
160.04573	1.2
161.02921	2.3
162.03096	4.0
162.04292	1.3
167.01854	5.4
173.03001	1.0
174.48431	0.9
175.04498	2.7
177.01096	1.2
177.06026	2.2
178.49648	0.8
180.04018	1.3
182.06673	1.6
183.06239	0.6
184.04539	1.0
185.02962	100.0
185.04550	4.5
185.06508	4.3
186.03093	3.4
186.48407	2.1
190.03500	2.5
191.03973	1.0
199.99744	0.7
200.07571	0.7
203.04012	42.0
203.05582	1.5
203.07518	5.4
203.09375	1.1
204.04204	2.0
208.04549	33.0
208.06233	1.3
209.00618	0.6
209.04697	1.3
209.07715	0.9
211.94121	0.8
214.46347	1.1
214.95956	2.7
221.05006	2.0
226.03639	0.9
226.05559	5.2
226.09329	1.1
227.03899	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1379
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.70911	2.2
55.05500	7.4
57.07085	5.6
57.46645	2.0
59.04988	3.3
59.86557	2.2
64.71547	1.8
65.03927	2.8
67.05506	33.8
68.84460	1.9
69.03442	6.4
69.07034	2.5
70.87485	6.0
71.05000	3.2
79.05491	5.6
81.07056	7.1
83.04990	6.1
85.06541	8.7
91.05487	9.5
93.07036	16.8
95.04980	5.8
95.08607	100.0
96.16503	2.2
97.36247	2.3
105.07052	22.3
106.98531	2.2
107.08585	26.7
109.02493	2.3
109.06506	6.9
109.10134	6.7
113.06003	5.5
119.08588	35.5
121.06502	4.9
121.10146	21.1
123.08073	65.0
123.11707	9.2
131.08562	3.9
131.91399	2.0
133.06477	4.9
133.10112	7.3
135.08069	4.8
135.11699	4.2
137.09630	7.2
141.06996	3.0
143.08559	3.1
145.10107	3.1
147.08076	9.6
147.11693	15.1
149.09622	77.5
151.07581	2.8
156.09308	2.7
161.05998	12.4
161.09587	4.5
161.13232	25.1
165.09163	2.3
165.12807	17.1
171.11708	6.4
174.10437	4.0
179.14282	3.2
182.81851	2.0
189.09122	4.9
189.12723	29.6
207.13802	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	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.02378	1.5
53.03941	7.3
55.01862	2.0
55.05513	8.1
56.96556	1.8
57.03433	0.7
57.07080	1.2
65.03942	2.3
67.05505	28.2
69.03434	1.3
69.07070	6.7
71.04984	2.9
71.82232	0.6
73.06563	1.4
74.80972	0.7
77.03938	1.3
77.12052	0.6
77.95918	0.6
78.05807	0.7
79.05492	44.0
80.05805	0.9
81.03434	2.4
81.07056	21.9
83.04981	3.8
83.08602	2.6
85.02921	0.8
85.06541	3.7
91.05480	57.6
92.05814	0.7
93.07041	100.0
94.07345	1.2
95.04967	17.6
95.08603	12.2
97.06528	2.3
97.10156	0.9
103.05503	0.9
105.04491	3.4
105.07027	25.8
107.04978	0.9
107.08589	11.8
109.06509	6.4
109.10153	1.8
115.05447	0.9
115.96477	2.0
116.97186	0.8
117.07018	5.3
118.89961	0.7
119.04951	3.2
119.08585	17.5
121.06502	3.2
121.10175	2.5
123.08068	6.2
125.06032	0.9
127.07593	1.3
128.06255	0.9
129.07016	9.7
133.06522	1.9
133.10118	6.8
133.97467	2.1
135.08078	1.0
137.06027	0.9
137.09662	0.8
140.04063	0.7
143.08554	5.7
145.10118	8.9
147.04370	4.6
147.08023	3.1
147.11679	46.9
148.12051	1.0
149.09599	2.0
151.07523	2.2
156.09338	0.9
159.08092	0.8
159.11678	1.1
161.05997	1.3
161.09596	3.5
161.13269	8.7
165.09132	1.0
165.12787	1.1
171.11679	18.9
175.03902	4.2
175.08795	1.7
175.58907	0.7
179.07088	1.6
179.14279	0.9
184.09280	1.4
189.09140	0.8
189.12737	11.8
192.04143	1.3
192.09332	1.3
207.02995	1.2
207.06523	7.0
207.08287	1.2
207.11748	1.6
207.13768	21.3
220.67253	0.8
229.26044	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1379
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
50.41352	1.9
55.05505	6.3
57.07064	5.6
59.05002	1.9
67.05511	24.8
69.03418	4.7
69.07068	4.0
71.46603	3.4
79.05492	4.8
81.07071	7.6
83.05012	2.9
85.06552	11.2
91.05479	9.6
93.07053	16.5
95.04974	5.7
95.08607	100.0
105.07029	23.6
107.08591	24.0
109.06516	7.1
109.10165	4.4
111.08113	2.5
113.06003	7.1
117.07024	2.5
119.08572	35.0
121.06521	4.2
121.10145	18.2
123.08067	73.1
123.11687	6.1
131.08549	4.3
133.06511	3.0
133.10146	6.2
135.08134	1.8
135.11655	3.4
137.09619	6.2
137.13275	2.4
144.78452	2.0
145.10101	3.6
147.04520	2.3
147.08051	7.8
147.11710	18.1
149.09622	73.1
151.14815	3.9
156.09389	3.2
161.05971	5.3
161.09615	3.6
161.13255	25.2
163.11133	2.8
165.12756	16.7
171.11713	6.5
174.10374	4.6
179.14320	2.5
189.12743	32.2
207.13824	56.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1222
Annotation	Plastoquinone-1
Peak:m/z	Relative Intensity
53.03946	3.2
55.01867	0.9
55.05503	0.5
57.07066	1.5
65.03940	0.7
67.05499	0.9
68.43958	0.3
69.03429	1.6
69.07062	1.0
70.79105	0.8
70.79475	0.6
71.05001	0.4
74.17835	0.4
77.03925	1.1
79.05473	1.9
81.03420	0.7
81.07050	0.9
83.04977	1.0
85.06521	0.6
91.05476	17.2
93.07037	58.4
94.07339	0.4
95.04963	5.7
95.08598	0.8
97.02886	0.9
103.05455	3.4
104.29079	0.4
105.04509	1.1
105.07030	3.9
107.04948	0.5
107.08615	1.8
109.02867	0.6
109.06523	0.7
109.10136	0.5
115.05434	1.1
117.06987	2.9
118.06554	0.5
119.08582	2.8
121.02889	1.1
121.06494	100.0
121.10125	1.0
122.06859	0.6
123.02887	0.5
123.04440	0.8
127.07549	0.6
129.06973	1.7
131.04935	0.8
131.08554	2.4
133.10091	1.0
135.08044	1.5
135.11691	1.2
141.06924	0.3
144.09332	3.0
145.06470	1.7
145.10100	1.6
147.08040	0.8
149.02335	5.6
149.05898	0.7
149.09583	0.5
149.13275	0.8
151.03926	0.5
154.07784	0.5
159.08064	0.7
159.11691	8.3
161.09607	0.7
163.07559	0.6
163.11174	1.9
169.08569	0.4
169.10051	0.4
172.08826	1.1
173.06047	0.5
175.11070	0.4
177.05475	1.0
177.09113	0.6
177.12727	1.3
187.11142	2.7
191.53499	0.4
205.04927	1.4
205.08705	2.3
205.12219	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	205.1951
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
51.86991	1.0
55.01863	0.9
55.05511	5.1
57.07079	12.3
60.04510	1.1
65.03941	6.6
65.60223	0.8
67.05503	5.6
69.03429	2.3
69.07072	10.0
71.53014	1.8
79.05488	5.8
81.03427	1.6
81.06608	1.0
81.07055	17.3
83.08607	3.0
84.04481	1.0
85.02914	1.9
91.05466	5.0
93.03382	2.3
93.07041	22.0
95.04937	1.6
95.08605	13.2
97.02903	6.2
97.10148	3.5
105.06994	3.7
107.08591	15.2
109.02896	1.8
109.09596	0.9
109.10172	9.9
111.04403	1.2
111.11707	1.4
111.54244	0.8
115.05451	1.5
117.07044	2.8
118.06564	1.9
119.08567	2.8
121.02847	12.6
121.03993	2.1
121.06538	2.3
121.10146	34.1
123.11720	5.4
127.05842	1.3
131.04909	2.0
131.08553	2.0
133.10104	1.2
135.11685	13.7
137.05972	1.1
145.06456	1.9
145.10089	4.0
146.05975	1.3
147.11691	1.1
149.02336	100.0
149.13242	21.1
150.02629	1.8
159.04567	1.0
159.11674	1.7
163.11241	1.6
163.14803	3.2
167.03418	3.2
177.05362	1.5
178.08624	2.1
190.04941	1.5
191.14342	1.2
205.04932	6.1
205.06653	1.1
205.08658	2.9
205.12450	4.7
205.14082	4.6
205.15923	4.3
205.19473	11.0
206.08090	4.2
222.77873	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.1018
Annotation	Nigellimine
Peak:m/z	Relative Intensity
54.05553	0.3
55.01865	0.3
55.05506	0.3
56.05025	0.7
56.96552	0.6
57.03425	0.6
57.07063	0.5
58.78678	0.2
59.06124	0.2
60.04526	11.8
61.02920	0.8
65.03926	0.3
68.05029	3.7
68.19337	0.2
69.03417	1.1
70.02931	0.3
70.06579	0.3
71.50684	0.2
71.99005	0.2
73.02911	0.5
79.05473	0.4
79.27576	0.2
81.03409	0.8
82.06572	0.3
83.01334	0.5
84.04499	2.7
85.02909	2.1
91.05477	6.5
92.05813	0.3
93.07053	0.3
96.04491	4.5
97.02299	0.4
97.02888	5.6
98.06055	0.7
99.04458	0.8
101.02354	0.3
103.05452	0.8
105.07023	3.2
107.08645	0.3
109.02853	0.6
109.07635	0.2
110.06059	1.1
114.05527	4.2
115.03925	0.9
115.05463	2.8
116.06242	2.8
117.07021	3.1
118.07778	0.6
119.08582	3.2
120.08086	0.3
121.02872	0.7
122.06020	0.3
122.07191	0.2
126.05527	3.1
127.03921	0.7
128.06241	0.5
129.07028	1.8
130.06526	2.3
131.01912	0.3
131.04900	0.3
131.08551	3.6
132.06551	0.4
132.09370	0.2
133.06456	0.8
133.10124	0.6
135.04395	0.4
135.08035	1.0
138.05489	0.9
138.98930	0.3
142.06540	1.1
143.04910	1.4
143.05939	0.3
143.07294	0.3
144.06616	0.6
144.08080	7.7
145.04868	0.3
145.05159	0.3
145.06483	4.7
145.08856	3.9
147.04425	0.5
148.04904	0.3
149.02336	3.4
156.06529	0.5
158.05994	0.9
158.09644	4.7
160.07576	2.2
161.04608	0.2
162.09082	0.3
163.03940	0.3
163.07568	1.8
168.06555	0.7
170.05952	0.3
172.07553	3.4
173.02951	0.3
174.09206	0.3
175.07600	0.5
177.09135	0.4
186.07613	0.6
187.04108	0.3
188.07059	0.9
188.10703	0.5
189.07787	0.4
189.11446	0.5
202.08615	2.7
204.10201	100.0
204.13850	4.4
205.05061	0.5
205.10507	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	204.0657
Annotation	Indolepyruvate
Peak:m/z	Relative Intensity
50.24232	0.8
51.56211	0.8
53.03937	1.0
54.83065	0.8
55.01869	1.1
56.05021	1.6
56.96554	0.8
57.03426	2.1
60.04527	49.2
61.02911	2.1
64.16599	0.9
68.05029	9.0
69.03416	2.9
69.07045	0.9
71.50546	0.9
72.04504	2.5
73.02919	1.5
81.03385	2.1
81.04559	1.0
83.01318	1.4
84.04497	9.3
85.02907	7.2
86.06022	1.0
91.05500	4.5
91.96789	0.8
93.07049	1.0
95.06089	1.0
95.08599	1.0
96.04488	18.8
97.02889	18.9
98.06037	3.4
99.04450	2.8
100.03974	0.9
103.05468	5.6
105.06978	1.1
106.06553	1.2
109.02897	1.7
110.06034	4.6
114.05533	18.3
115.03945	2.0
115.05450	20.1
117.05660	1.8
117.07009	1.2
118.06538	17.3
120.08121	1.1
122.06008	1.2
126.05513	14.7
127.03905	3.4
130.06528	100.0
131.04922	6.6
131.06863	1.4
132.08081	4.4
133.06496	25.4
133.10080	1.1
134.06021	7.6
135.04372	1.1
138.05492	2.7
142.06499	2.0
143.06044	3.7
143.07262	1.8
144.06615	1.6
144.08038	4.9
145.04958	1.5
145.06442	1.0
146.06012	25.1
147.04437	1.4
148.07599	5.5
148.08626	1.4
149.02338	4.7
156.06549	2.2
158.06013	74.9
159.06700	1.7
159.09183	3.1
160.07588	4.4
162.05490	12.7
168.06569	5.5
170.05981	1.7
176.07034	2.1
181.02872	0.9
186.05515	7.8
186.07552	2.3
187.09741	1.1
188.07082	20.9
188.10715	1.2
189.11501	2.0
204.03656	1.1
204.06572	8.2
204.08630	18.8
204.10278	5.9
204.12575	1.3
204.13879	14.4
204.18240	1.5
205.05028	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1793
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
52.96974	1.9
53.03937	2.5
55.05509	12.5
57.07068	3.3
60.04510	4.8
67.05512	11.4
68.05018	6.5
69.03416	2.0
69.07071	12.8
69.19115	26.0
79.05481	6.7
81.07053	23.2
83.08620	6.2
84.04498	10.2
85.02880	2.1
91.05477	20.8
93.07026	13.1
95.08002	2.8
95.08607	47.1
95.46777	1.8
96.04483	5.7
97.02896	11.4
99.12889	2.1
105.07033	50.9
107.08598	23.2
109.10153	28.3
114.05539	9.7
117.07000	4.4
119.08582	69.2
121.10164	15.4
123.11677	6.3
126.05510	9.7
128.06215	2.3
130.06552	2.2
131.08586	5.3
133.10129	72.1
135.11684	3.6
137.63512	2.3
138.03789	2.1
143.08551	3.9
145.10100	7.5
147.04399	2.6
147.11682	49.9
148.11938	2.8
157.10031	2.3
159.11649	6.5
160.12491	4.3
161.13254	25.4
166.73303	2.3
168.06596	3.2
174.14041	4.1
175.03850	2.1
175.14830	8.6
188.08354	3.0
202.07861	5.3
203.03395	5.7
203.06935	4.3
203.08554	6.2
203.10695	5.8
203.14233	7.6
203.16037	5.0
203.17961	100.0
204.08669	9.4
204.13823	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	203.0067
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96571	0.5
57.03431	0.9
58.99860	0.9
61.02910	0.4
62.62632	0.4
69.03449	0.9
70.96841	0.9
73.02914	1.4
77.00915	0.7
81.03423	0.9
82.01440	14.8
85.02890	0.7
86.03664	0.5
93.14867	0.4
97.02895	1.6
100.02478	52.6
101.00887	2.1
101.02518	0.8
102.94386	0.5
108.01686	0.5
113.52477	0.4
117.02177	0.6
118.03516	26.5
119.01916	6.1
120.02031	1.3
120.95322	2.1
121.01654	1.1
123.04069	0.8
124.17357	0.4
131.01898	1.7
133.03400	0.6
134.99782	0.4
137.02956	2.6
137.49976	0.5
138.96385	13.8
138.97443	0.7
139.02608	0.8
140.02435	0.6
141.03885	0.6
141.05064	0.8
142.03494	1.1
142.52744	0.4
145.03477	0.8
145.98711	0.9
147.04083	0.5
148.04684	0.4
149.02884	0.9
149.53014	0.5
149.99632	0.5
151.53262	1.2
152.03310	0.7
156.97472	100.0
157.03464	1.5
157.49391	0.8
157.97543	1.6
160.04608	0.8
160.53725	3.6
161.02983	1.2
161.98016	5.1
165.97934	0.7
166.99254	1.6
167.49391	0.5
168.48256	3.8
168.98344	1.0
169.49521	0.7
171.00203	0.5
174.98528	91.8
175.98766	1.3
178.49995	4.3
179.00143	1.3
179.04007	1.2
179.99123	98.6
180.99216	1.6
183.05026	0.7
185.02934	0.9
190.00807	0.4
192.05553	0.8
198.00124	87.6
199.00235	1.4
201.06111	0.5
203.00853	4.9
203.04010	0.8
207.09344	0.5
208.97891	0.4
209.97453	0.4
214.96542	2.6
215.96632	0.9
221.01848	3.0
221.05112	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.0561
Annotation	Unknow
Peak:m/z	Relative Intensity
58.62906	2.7
71.50874	4.8
82.01455	28.2
85.77953	2.6
98.97592	6.5
100.02481	100.0
101.00874	22.0
116.98625	7.4
118.03525	47.5
119.01054	4.8
119.01923	99.7
120.02037	8.8
124.02431	4.7
134.99841	2.9
137.02968	38.2
142.03516	41.7
143.03627	6.9
156.97530	3.4
157.49030	2.8
160.04568	28.6
161.02956	11.9
168.99898	3.6
172.51167	2.9
177.00957	6.8
178.01085	5.7
178.05615	7.9
179.00748	7.7
179.04002	27.3
179.98016	18.2
187.99379	3.9
190.49532	5.5
197.46851	4.0
197.99184	76.1
198.00916	5.4
199.50110	20.2
200.00168	11.5
202.05704	3.8
206.47337	3.3
208.97731	2.7
214.95628	4.0
220.02087	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	202.9973
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	0.7
58.99866	1.1
60.31319	0.4
63.46223	0.5
70.98340	1.0
73.02909	0.7
81.03418	0.5
82.01440	17.1
82.01933	0.9
83.01512	0.6
97.02843	0.6
100.02483	67.0
101.00878	1.9
101.02570	1.4
118.03522	39.1
119.01929	7.5
119.03625	0.7
120.02033	1.4
120.95351	2.0
121.01685	1.2
123.04053	1.9
131.01903	0.8
137.02962	2.8
138.96391	10.8
138.97435	0.7
141.05081	1.5
142.03516	1.3
145.98729	1.3
156.97484	81.7
157.49464	1.7
157.97571	1.1
160.04610	0.8
160.53810	0.8
161.02994	1.3
161.04768	0.5
161.98003	5.4
166.99194	2.3
167.49301	1.1
168.48273	2.2
169.49519	1.3
170.49480	0.6
171.00090	0.5
174.98541	81.9
175.98598	1.1
176.99071	0.8
178.50017	5.8
178.99956	2.4
179.04015	1.0
179.49950	1.3
179.99165	100.0
180.99263	1.5
197.47095	0.9
198.00148	77.7
198.99178	0.4
199.00412	0.8
200.00421	0.6
200.49980	0.9
203.00916	4.6
203.04082	1.2
214.96672	3.1
215.96696	0.6
221.01973	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	201.1273
Annotation	Lacinilene A
Peak:m/z	Relative Intensity
51.02381	1.2
53.03935	2.2
55.01854	1.2
55.05507	9.4
57.03432	4.4
57.07077	7.6
59.93106	1.1
65.03925	1.9
66.34457	0.8
67.05503	26.3
69.03406	1.2
69.07073	4.5
69.41068	0.8
69.97792	3.4
70.06573	1.1
71.08612	0.9
74.43166	0.8
77.03870	1.0
79.05080	1.2
79.05496	15.8
81.03384	1.0
81.07050	11.4
83.04964	2.0
91.05480	69.9
93.07040	13.5
95.04954	3.3
95.08606	38.1
96.08927	0.9
103.05480	5.2
105.03387	2.4
105.04506	1.0
105.07032	20.2
106.49373	0.8
107.04939	3.7
107.08590	6.3
109.06510	2.2
109.10144	1.2
114.41193	0.9
115.05454	22.2
116.06272	7.1
116.38416	0.7
117.07018	57.1
118.96752	3.2
119.04919	1.6
119.08575	9.5
120.72404	0.7
121.06473	1.8
121.10119	1.6
123.08008	1.2
123.22132	0.8
127.03931	0.9
127.05417	1.0
128.06216	17.9
129.07007	29.3
130.07780	5.7
131.04918	4.7
131.08562	100.0
132.08878	1.5
133.06499	2.6
133.10150	4.7
141.06979	27.2
142.07791	12.6
143.08557	24.0
144.05724	5.2
144.09320	2.6
145.06473	16.1
145.10115	41.1
147.08031	1.5
153.06981	5.5
154.07761	1.8
154.96445	1.0
155.04904	2.0
155.06042	2.6
155.08551	18.3
157.06482	2.6
157.10149	6.8
158.07236	4.0
158.10857	2.2
159.04391	1.5
159.08058	38.5
159.11679	15.4
160.08743	0.9
165.07181	0.8
167.08582	1.3
168.09296	8.2
169.06454	4.6
169.07704	1.6
171.08066	3.3
171.11717	2.3
172.08839	2.8
173.06012	5.4
173.09622	7.5
173.13260	19.2
177.98076	2.1
183.04382	1.3
183.11678	7.3
186.06740	2.3
186.10406	2.0
201.05461	10.4
201.09105	17.6
201.12749	52.9
201.16365	17.0
202.09386	0.9
202.13060	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1121
Annotation	Masutakic acid A
Peak:m/z	Relative Intensity
55.01863	1.9
55.05505	4.9
57.03435	2.6
59.05390	1.4
65.09435	1.4
67.05504	46.8
69.07046	2.5
70.42500	3.5
71.69022	1.5
72.08136	5.3
73.02906	4.0
79.05153	1.5
79.05496	18.7
81.03402	1.6
81.06592	2.5
81.07053	38.5
84.08126	2.2
85.02875	2.3
86.09695	4.3
91.05476	33.5
93.07043	34.0
95.04385	2.5
95.04967	38.7
95.08607	100.0
96.08937	1.9
98.97572	3.8
103.05453	2.1
105.07002	4.1
107.08608	15.4
109.06519	9.2
109.10178	21.5
109.10876	3.0
115.05424	4.5
115.55468	1.9
116.98618	1.9
117.07031	9.2
118.96781	2.3
119.08576	52.0
121.10106	1.9
125.09655	2.6
128.06239	2.6
129.06921	3.1
131.08546	3.9
137.09621	33.7
141.06964	7.2
143.08549	2.9
145.06487	2.8
145.10115	7.4
147.08022	5.2
153.09071	4.9
155.10596	2.5
158.07256	4.1
159.11670	4.6
165.07817	2.7
165.09126	43.1
165.10526	2.3
169.06453	5.4
173.05986	3.0
173.09625	2.1
173.13312	2.0
177.00696	1.6
177.98010	2.1
183.10197	8.8
183.11603	1.7
186.06764	4.7
201.05466	7.0
201.09132	20.8
201.12776	2.9
201.16364	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	201.112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	10.9
55.01869	3.8
55.05514	10.1
56.05019	3.1
56.96567	10.6
57.03443	5.0
57.07088	2.2
58.74105	1.6
59.93101	2.6
60.04526	2.2
65.03946	5.0
67.03994	1.7
67.05504	32.1
68.05027	1.9
69.03429	9.0
69.07069	3.0
70.06589	4.2
71.04994	2.1
71.50637	2.9
71.51012	2.5
73.02903	3.7
76.52451	2.2
79.05492	71.2
80.05834	2.6
81.03421	24.5
81.07052	24.8
83.04977	6.3
83.08622	2.5
84.04518	5.3
85.02913	12.4
85.06528	1.8
86.06055	2.0
86.09686	5.2
91.05484	33.0
93.07055	20.0
95.01305	1.9
95.04969	35.9
95.08607	64.4
97.02901	5.8
97.06531	4.2
98.97578	13.6
99.04478	2.6
101.05995	3.5
103.05466	5.7
105.03394	2.2
105.04510	2.3
105.07034	78.4
107.04966	9.1
107.08605	10.8
109.02883	9.9
109.06528	20.8
109.10129	4.0
110.97588	3.0
111.04446	4.7
111.08090	7.9
114.05537	2.4
115.05466	2.1
116.98603	13.0
117.07027	3.8
118.96771	19.3
119.01926	2.5
119.04929	2.4
119.08575	9.5
121.06546	9.5
121.10132	3.2
122.03079	3.3
123.04438	34.1
123.08064	47.2
125.07101	2.6
127.03899	9.6
127.07578	7.8
128.06239	2.4
128.98650	2.4
131.08554	4.9
133.06497	20.3
133.99068	4.0
134.03659	2.7
134.99651	7.7
137.05960	18.6
137.09636	8.5
141.01843	3.7
141.09190	2.1
143.08606	10.9
145.06546	2.1
145.10126	9.9
146.06042	2.9
146.99614	2.8
147.04433	4.3
147.06456	2.3
147.08168	2.0
150.95743	2.5
151.07541	100.0
154.96492	4.5
155.08632	2.1
156.04459	3.6
156.10138	2.8
157.10199	2.6
158.99684	2.5
159.11723	6.1
161.01213	2.8
162.03119	4.2
165.09126	7.8
169.08536	1.9
171.07993	2.5
173.06027	4.4
173.13164	2.9
174.05547	3.1
177.00706	4.6
177.97968	11.5
183.10164	5.9
186.06787	2.3
201.05623	5.9
201.09109	9.1
201.11034	3.2
201.12823	3.9
201.16335	12.2
201.56169	2.4
202.05016	3.9
202.08669	6.4
202.10529	2.2
211.34645	1.8
212.70796	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	201.112
Annotation	4-epi-Alyxialactone
Peak:m/z	Relative Intensity
53.03946	12.5
55.01870	11.0
55.05511	15.5
55.30190	2.3
56.96569	4.5
57.03430	7.6
57.16570	2.2
57.25797	2.4
59.06131	2.6
65.03939	7.0
67.05140	3.6
67.05502	66.3
69.03442	12.8
69.07067	11.2
70.89480	8.5
71.04991	13.2
73.02921	5.6
77.03963	2.8
79.05492	59.1
81.03403	9.6
81.07059	30.8
83.04971	12.9
85.02901	5.9
91.05477	100.0
93.07040	99.4
95.04963	62.8
95.05936	2.5
95.08612	28.8
97.06533	10.7
98.97582	9.0
99.04459	2.9
103.05472	6.8
105.04517	4.3
105.07011	28.2
107.04953	6.1
107.08595	27.8
109.06528	12.4
109.10152	22.2
111.04442	19.4
111.08066	20.6
113.06013	7.3
115.05460	11.6
116.98615	5.4
117.07023	16.4
118.96768	6.3
119.04919	5.4
119.07813	4.5
119.08585	54.6
121.06513	10.1
121.10127	5.4
123.04434	27.5
123.08076	10.6
125.06051	3.5
125.09661	3.3
127.03888	4.3
128.06200	4.9
129.07013	5.9
131.08566	3.9
134.99615	4.1
135.08038	14.7
137.05957	10.1
137.09598	28.3
139.07562	3.4
141.05453	70.7
141.07060	3.1
141.09151	2.7
143.08543	6.6
145.06488	7.6
145.10117	13.6
147.08061	17.7
153.09109	12.8
154.96445	3.1
155.07068	3.8
155.10609	4.3
158.99609	3.1
159.11664	6.2
165.09103	28.6
173.06046	8.3
173.09525	3.4
173.13200	4.0
177.00676	3.3
177.98134	5.1
183.07970	2.6
183.08507	2.9
183.10168	30.9
201.05522	11.4
201.09140	10.6
201.10994	3.3
201.12691	6.1
201.16400	6.4
213.47134	2.3
213.97801	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	201.112
Annotation	4-epi-Alyxialactone
Peak:m/z	Relative Intensity
50.21519	0.5
51.58503	0.5
53.03945	1.4
55.01864	2.5
55.05513	4.4
56.96590	0.5
57.03429	1.6
58.30248	0.5
65.03934	1.1
67.05500	7.3
69.03422	1.8
69.07053	1.7
70.04922	0.6
70.06618	0.8
70.35922	1.2
70.36314	1.6
71.04982	1.8
73.02872	0.7
76.15800	0.5
79.05488	3.0
81.03406	1.7
81.07056	4.7
83.04974	3.7
83.08605	1.5
83.92096	0.5
85.02897	1.7
85.06531	0.7
86.09663	0.9
91.05477	8.0
93.07043	10.6
95.04961	4.5
95.06018	0.8
95.08598	10.5
97.02905	0.9
97.06536	2.2
98.20860	0.8
99.04436	1.2
101.06033	0.7
103.05460	1.1
105.03398	0.6
105.07034	1.9
107.08619	2.9
109.06519	13.4
109.10166	3.3
111.04443	1.1
111.08076	100.0
112.08449	1.2
113.05988	0.8
113.09548	0.6
115.05495	1.0
117.07014	2.2
118.96751	1.8
119.04939	2.2
119.08584	5.1
121.10134	1.9
123.04453	0.7
123.08044	6.9
125.05975	3.0
127.03881	1.3
128.04979	2.3
128.06210	0.5
129.03326	0.8
129.07013	0.9
131.08534	1.1
133.02870	0.6
134.03632	4.3
135.08032	0.7
137.05988	1.4
137.09619	7.2
139.07552	2.8
141.05441	1.7
141.09128	1.0
143.08519	1.8
145.06474	1.7
145.10144	2.1
146.05997	1.1
147.04414	5.9
147.08061	2.1
153.09111	2.5
154.96439	0.8
155.05792	1.4
155.07028	25.0
155.10683	1.7
156.04471	1.8
159.11690	1.7
160.48358	0.6
162.03111	4.9
165.09068	3.5
173.06020	0.9
173.09622	1.0
173.13297	0.9
174.05487	3.7
175.03931	1.2
177.98064	1.6
183.10167	11.8
201.05331	3.3
201.09151	2.4
201.11169	4.3
201.12814	1.4
201.16403	1.6
202.05022	4.1
202.06967	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0607
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.3
55.05504	1.9
56.96556	4.1
57.03425	3.5
57.07066	1.4
58.99855	3.4
59.99949	1.6
61.02917	3.1
67.05500	2.0
69.03430	4.0
70.10931	0.8
70.99868	1.8
71.50559	1.2
71.99921	1.0
73.02919	1.9
77.00909	3.4
79.00648	1.0
79.05473	1.0
81.03404	2.0
81.07047	2.3
82.99849	1.1
83.04958	1.2
85.02897	3.5
88.13336	1.0
89.00915	1.5
91.02486	1.0
91.05485	1.0
95.08644	1.0
96.41518	1.1
97.02904	1.9
98.97560	1.3
100.02493	2.9
101.00880	18.6
101.01513	1.5
101.02547	2.3
101.05993	1.4
102.00980	1.4
102.02323	2.0
103.00655	1.7
103.02431	3.1
105.07070	1.1
110.03582	1.1
111.04463	1.1
113.02362	2.3
115.02435	3.0
116.98653	1.9
118.03500	2.8
118.96786	2.5
119.01921	100.0
120.02021	6.9
120.03236	0.9
121.01673	6.4
121.03500	3.0
126.98783	1.2
127.03914	2.2
128.98570	1.1
131.01907	6.2
131.08577	1.7
133.01785	1.3
133.03470	23.2
135.03177	1.3
137.02957	35.7
138.03062	2.9
139.02647	1.4
142.03520	5.9
143.01880	2.2
143.08585	2.6
144.99818	8.3
145.03474	3.2
145.10147	2.2
145.99971	5.8
146.99634	3.0
147.01366	2.1
147.05031	1.5
149.02969	4.4
151.04524	9.4
155.01872	1.2
157.03500	1.5
158.97279	3.1
159.01379	1.6
159.11697	2.5
160.04575	3.5
161.01167	1.3
161.02943	8.2
163.00946	1.5
163.02727	0.9
163.04460	2.7
164.01143	1.6
168.99849	5.2
169.01585	7.3
171.01328	1.9
172.99345	1.3
173.02982	5.4
175.02730	1.4
175.04466	1.1
176.98294	3.7
177.00850	2.1
177.02455	5.7
177.03789	0.9
177.98140	1.1
178.02568	6.8
178.05623	1.4
179.02246	1.9
179.03964	1.1
185.02995	1.5
187.00932	11.8
187.02513	1.5
189.02489	1.9
191.03969	4.7
195.03531	2.0
196.03741	1.8
201.02455	12.2
201.04189	5.4
201.05914	1.9
201.09070	1.2
201.12793	1.3
201.16464	2.1
205.01836	2.0
210.02844	1.1
210.47758	0.9
215.00282	1.0
219.01714	1.4
219.03537	10.4
219.05325	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0607
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.3
55.05504	1.9
56.96556	4.1
57.03425	3.5
57.07066	1.4
58.99855	3.4
59.99949	1.6
61.02917	3.1
67.05500	2.0
69.03430	4.0
70.10931	0.8
70.99868	1.8
71.50559	1.2
71.99921	1.0
73.02919	1.9
77.00909	3.4
79.00648	1.0
79.05473	1.0
81.03404	2.0
81.07047	2.3
82.99849	1.1
83.04958	1.2
85.02897	3.5
88.13336	1.0
89.00915	1.5
91.02486	1.0
91.05485	1.0
95.08644	1.0
96.41518	1.1
97.02904	1.9
98.97560	1.3
100.02493	2.9
101.00880	18.6
101.01513	1.5
101.02547	2.3
101.05993	1.4
102.00980	1.4
102.02323	2.0
103.00655	1.7
103.02431	3.1
105.07070	1.1
110.03582	1.1
111.04463	1.1
113.02362	2.3
115.02435	3.0
116.98653	1.9
118.03500	2.8
118.96786	2.5
119.01921	100.0
120.02021	6.9
120.03236	0.9
121.01673	6.4
121.03500	3.0
126.98783	1.2
127.03914	2.2
128.98570	1.1
131.01907	6.2
131.08577	1.7
133.01785	1.3
133.03470	23.2
135.03177	1.3
137.02957	35.7
138.03062	2.9
139.02647	1.4
142.03520	5.9
143.01880	2.2
143.08585	2.6
144.99818	8.3
145.03474	3.2
145.10147	2.2
145.99971	5.8
146.99634	3.0
147.01366	2.1
147.05031	1.5
149.02969	4.4
151.04524	9.4
155.01872	1.2
157.03500	1.5
158.97279	3.1
159.01379	1.6
159.11697	2.5
160.04575	3.5
161.01167	1.3
161.02943	8.2
163.00946	1.5
163.02727	0.9
163.04460	2.7
164.01143	1.6
168.99849	5.2
169.01585	7.3
171.01328	1.9
172.99345	1.3
173.02982	5.4
175.02730	1.4
175.04466	1.1
176.98294	3.7
177.00850	2.1
177.02455	5.7
177.03789	0.9
177.98140	1.1
178.02568	6.8
178.05623	1.4
179.02246	1.9
179.03964	1.1
185.02995	1.5
187.00932	11.8
187.02513	1.5
189.02489	1.9
191.03969	4.7
195.03531	2.0
196.03741	1.8
201.02455	12.2
201.04189	5.4
201.05914	1.9
201.09070	1.2
201.12793	1.3
201.16464	2.1
205.01836	2.0
210.02844	1.1
210.47758	0.9
215.00282	1.0
219.01714	1.4
219.03537	10.4
219.05325	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.0403
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86191	1.0
53.03918	1.8
55.01869	4.8
55.05484	1.3
56.05008	1.1
56.96565	16.1
57.03436	15.5
58.96161	1.0
58.99856	8.9
59.99925	1.1
60.08157	5.1
61.02928	15.8
65.03938	6.5
66.04678	1.1
67.05486	1.9
68.04999	1.0
68.98272	1.3
69.03426	28.9
69.82833	5.6
70.06581	1.3
70.98129	1.0
70.99848	8.1
71.01330	2.7
71.04972	2.2
72.08124	2.0
73.02914	45.6
74.03245	1.1
77.00906	12.5
78.00954	1.3
79.05495	7.9
81.03407	10.5
81.07015	3.0
82.01426	5.0
82.99817	1.9
83.04962	2.2
84.04471	3.2
84.08125	1.2
84.96003	1.6
85.02900	21.8
86.03659	1.6
86.99323	3.7
87.04478	1.7
89.00884	6.0
91.02454	7.1
91.05478	43.4
92.05774	2.6
93.03367	3.4
93.07044	2.5
94.04136	3.5
94.99767	1.2
95.01918	3.9
95.04990	6.6
97.02888	25.9
98.97577	18.2
99.04459	1.9
100.00060	2.2
100.01858	1.5
100.02477	20.2
101.00878	27.8
101.02486	0.9
101.48978	1.1
102.00928	4.2
102.02242	2.7
103.00589	1.8
103.02433	5.1
103.05477	4.8
105.00314	4.3
105.00970	1.0
105.02095	1.0
105.03350	1.5
105.04478	1.2
105.07012	4.4
106.53042	2.4
107.01919	1.2
107.03452	5.8
107.04943	9.3
108.05715	1.8
109.02837	5.4
109.03481	3.4
109.06466	4.3
110.02921	1.2
110.03644	1.7
110.97557	2.0
111.04438	5.9
111.52228	1.7
112.02414	1.2
112.53049	1.2
113.00855	12.9
113.03432	1.9
114.00925	2.0
114.02361	2.0
114.04168	4.2
114.54263	1.1
115.02406	6.8
115.03170	1.9
116.02509	1.4
116.98618	15.3
117.03775	1.7
118.01141	9.4
118.02682	2.4
118.03500	14.1
118.53077	5.5
119.01918	100.0
119.03377	10.8
119.04920	28.6
120.02000	13.0
120.03255	1.3
120.04143	1.4
120.05161	1.5
120.52765	1.9
121.01675	5.7
121.03416	2.2
121.05705	1.1
121.06503	20.5
122.03675	4.9
122.06004	1.2
122.06767	1.2
123.04483	5.5
123.08021	3.1
124.02559	2.2
124.52970	1.8
125.03438	5.0
125.05991	6.6
125.53704	2.2
126.02475	10.6
126.04196	9.7
126.52765	1.3
126.98766	8.2
127.02355	2.2
127.03915	3.3
127.53410	1.5
128.03944	6.6
128.53987	1.3
128.98560	3.0
129.03835	1.7
131.01903	75.3
131.03415	4.4
131.04913	6.8
131.53772	1.9
132.01964	10.3
132.04185	10.6
132.05040	1.5
132.52721	1.2
132.54260	2.9
133.01617	3.1
133.03471	23.1
133.04964	1.7
133.06451	3.2
133.53458	3.7
134.03877	7.9
134.07210	3.8
134.54045	1.6
134.99649	6.6
135.03285	1.6
135.04398	6.5
135.07999	3.5
136.02132	2.5
136.04428	1.5
136.05249	2.1
136.06087	1.3
136.07570	2.2
137.02953	23.9
137.05971	53.6
138.03076	2.7
138.04135	3.4
138.06296	4.1
138.52686	0.9
139.02344	1.3
139.03197	1.2
139.04971	4.9
139.06265	0.9
139.53476	2.0
140.03937	20.3
140.54086	4.8
141.03969	2.1
141.04802	27.8
142.01103	3.6
142.03494	8.3
142.54021	1.4
143.01898	18.5
143.02985	1.6
143.03506	1.8
143.98993	1.2
144.01941	3.4
144.99825	43.8
145.01558	1.8
145.03459	20.3
145.04774	1.5
145.06497	1.7
145.53439	1.7
145.99904	1.7
146.03772	6.9
146.54222	1.5
146.99608	2.7
147.01355	5.2
147.04367	34.0
147.08022	1.6
147.53226	2.1
148.01474	1.4
148.03690	1.8
148.04976	2.0
149.01152	1.5
149.02910	18.1
149.04443	7.9
149.05917	10.8
149.54527	2.0
150.00307	3.2
150.03012	1.7
150.06795	5.2
151.02472	1.7
151.04410	3.5
151.07556	10.8
152.07016	3.4
153.00676	1.7
153.05521	8.9
154.01138	1.4
154.03519	5.4
154.08617	1.1
155.01886	6.6
155.04460	6.0
155.54608	1.3
156.05052	1.7
157.03459	18.1
158.01260	5.1
158.03517	3.4
158.99634	2.4
159.01338	7.6
159.02536	1.2
159.03143	1.2
159.04877	4.8
160.02142	3.8
160.04521	1.8
161.02979	45.4
161.04419	4.9
161.05920	20.4
161.54568	1.6
162.03099	5.3
162.06761	12.5
163.00969	6.9
163.02658	2.1
163.04373	5.7
163.07529	9.7
163.54454	1.4
164.04782	1.9
164.07007	1.3
165.04041	1.4
165.05455	26.4
166.06239	10.6
167.01906	1.8
167.04137	1.8
167.06866	2.1
168.01421	43.4
168.02701	6.5
168.99731	2.0
169.01523	1.3
169.01964	1.4
169.03485	15.7
170.04948	3.4
171.03102	1.3
172.04649	1.1
173.02983	16.4
174.03082	2.5
175.02911	1.4
175.04387	4.7
175.07541	5.9
176.02261	4.4
176.04774	3.8
177.00739	5.0
177.02446	54.9
177.03975	5.2
177.05731	3.2
178.05940	1.2
179.05600	1.4
179.07007	24.6
179.55424	1.3
180.02660	2.5
180.07355	2.1
181.03456	9.4
182.03056	1.5
182.08046	1.2
183.04944	3.3
184.04483	2.3
185.02979	7.6
185.05475	6.6
185.55510	1.4
186.02280	7.2
186.03751	4.6
187.00786	2.7
187.02507	1.3
187.04436	4.5
188.04709	1.7
189.00681	1.2
191.03954	3.5
191.06978	2.2
193.03384	2.4
194.04263	9.5
195.01581	1.7
195.03430	17.5
195.04994	24.4
196.02139	2.0
196.05135	4.6
196.06882	1.1
197.01230	1.8
197.02821	2.2
199.04462	3.1
200.02376	1.5
200.04012	35.0
200.09123	1.6
200.12164	10.1
200.19048	1.5
201.02359	4.3
201.04114	2.4
201.06042	1.9
203.03937	4.0
203.06995	8.2
205.03500	2.7
206.04027	1.2
207.04947	1.8
209.02890	4.1
209.06586	6.1
210.03780	8.3
211.04507	7.2
212.05301	5.4
213.02483	1.3
213.06055	5.8
214.03186	2.2
218.04958	4.5
219.01665	2.5
219.03209	1.9
219.05273	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	200.0231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.2
55.01864	3.0
55.05517	2.2
56.05042	7.4
56.96301	2.3
56.96564	33.8
57.03428	6.0
58.99867	3.8
60.99621	1.5
61.02912	2.6
65.03909	1.4
67.05507	1.9
68.05025	1.5
69.03431	12.1
70.06586	3.6
70.98112	1.5
70.99843	3.1
71.04998	1.5
71.95263	2.8
72.08142	5.3
73.02909	9.9
74.09716	1.8
77.00903	6.3
79.05486	5.1
81.03409	5.6
81.07053	3.5
82.01440	2.3
82.06574	2.9
83.04955	2.0
84.04495	5.2
84.08135	3.6
84.96031	4.0
85.02907	10.8
86.09715	4.4
87.04468	2.0
89.00930	2.5
89.80223	1.6
91.02462	2.1
91.03999	1.2
91.05477	10.4
93.03423	1.7
93.07008	2.0
95.01920	3.0
95.04948	2.7
95.06102	1.3
95.08613	1.4
97.02882	14.7
97.06535	1.8
98.97583	100.0
99.04439	2.4
100.02476	12.6
100.07605	1.4
101.00866	9.3
102.00990	1.7
102.02249	2.6
103.02424	1.4
103.05482	1.9
105.00354	1.6
105.02200	1.9
105.07023	2.7
107.04960	2.4
107.08619	2.2
109.02879	5.9
109.03532	1.8
109.06452	1.4
110.97558	5.1
111.04387	1.3
113.00866	4.6
115.00623	1.6
115.02426	2.8
116.00224	1.7
116.98618	89.6
118.03515	15.0
119.01920	52.5
119.03588	1.9
119.04922	6.9
120.02007	10.7
120.03227	3.1
121.01664	3.0
121.06507	2.8
121.53265	1.3
122.03606	1.9
125.05991	1.5
126.98814	2.6
127.03921	5.0
128.02315	2.0
128.98613	7.5
129.10219	2.3
130.03474	3.8
131.00934	1.9
131.01903	38.4
131.03418	1.8
132.02013	1.9
132.05081	2.6
133.01662	1.6
133.03459	4.6
133.06450	2.8
134.03009	4.5
134.99649	72.8
135.03090	4.5
136.02798	1.6
136.04567	5.2
137.02963	18.4
137.05969	25.8
138.03043	2.8
138.04298	1.3
138.06325	2.0
140.00175	4.5
140.03993	2.2
140.98627	3.0
142.03479	4.2
143.00168	2.6
143.01900	6.8
143.18839	1.3
144.86206	1.4
144.99814	15.3
145.03427	4.1
146.99681	4.8
147.01387	2.4
147.04384	10.2
148.04692	1.5
149.02930	15.9
151.07562	2.0
153.00728	14.6
154.03499	16.3
154.08652	2.1
154.12267	1.4
155.01857	1.9
156.05051	2.8
157.03368	2.6
157.97552	3.7
158.01294	7.5
158.03059	2.6
158.97263	1.7
158.99657	9.1
159.01433	3.3
159.04985	2.1
159.06456	1.6
160.04555	2.8
161.01453	2.7
161.02959	19.6
161.05913	2.6
162.03146	2.3
163.00891	1.7
163.04559	1.5
164.07239	1.3
165.00720	1.4
165.03893	1.4
165.05399	1.8
168.01434	16.1
169.03525	2.1
170.99699	2.3
172.02859	2.9
172.04550	18.8
173.01488	1.7
173.02919	8.0
174.06151	2.8
175.98622	6.7
176.00978	2.2
176.02344	3.4
176.04041	8.6
176.98372	2.6
177.00757	18.1
177.02448	20.8
177.03986	2.5
179.07047	3.9
181.03496	1.7
182.02933	6.4
185.02931	1.6
186.02489	3.8
189.00710	2.3
189.04175	4.8
190.05597	6.8
191.04059	3.5
195.01871	3.0
195.03511	11.5
195.05093	2.0
199.18858	5.7
200.04034	34.1
200.05768	2.3
200.07541	1.6
200.09140	1.9
200.12724	1.5
201.00803	1.6
201.02492	6.7
203.04094	1.7
210.01979	1.5
218.03262	2.9
218.05093	16.7
218.08594	1.7
219.01740	3.4
219.03516	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	200.0231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.6
55.01862	2.2
55.05505	3.3
56.05024	5.9
56.96565	42.3
57.03443	7.5
57.07061	2.9
58.06601	1.8
61.02909	4.1
69.03420	8.5
70.06580	3.0
70.59622	4.2
70.60023	2.8
71.04967	1.9
71.95275	3.2
72.04488	2.3
73.02909	9.0
73.06541	1.5
74.09695	2.8
77.00896	1.5
79.05481	3.1
81.03405	5.1
81.07041	4.6
82.06571	9.4
84.04470	3.4
84.08123	3.5
84.96008	2.5
85.02907	9.9
87.04463	1.7
91.05489	8.2
95.04967	2.1
95.08617	2.2
96.08121	1.8
97.02894	11.5
98.97585	99.1
99.04472	1.6
99.97916	2.3
100.07616	2.4
101.00877	3.6
103.05520	1.7
105.07030	2.1
107.04924	1.8
109.02888	3.1
109.06496	2.7
110.97575	8.9
116.98618	100.0
117.02046	2.0
117.98924	2.0
118.96790	1.7
119.01908	13.2
119.04933	5.4
120.01996	3.4
120.03320	2.5
122.03698	2.3
127.03889	3.4
128.07072	10.1
128.98575	7.6
131.01872	6.7
131.04880	1.4
134.03027	2.6
134.99652	68.3
135.00679	3.7
135.03064	3.6
137.02922	5.7
137.05974	22.3
140.00171	2.6
142.95673	1.6
143.00124	1.9
143.01852	5.3
145.03424	1.7
146.99635	9.9
147.04375	6.0
148.04649	1.8
150.03285	1.7
151.07500	2.1
152.02333	1.5
153.00711	16.2
154.08601	2.3
154.12263	6.9
158.01244	9.8
158.02951	2.6
158.04256	1.5
158.99637	3.5
161.01305	3.5
161.02916	12.0
162.03143	1.7
162.99126	2.5
165.00673	1.9
170.99603	2.9
172.04675	1.9
173.02950	1.7
176.02313	4.6
176.04033	4.8
176.98430	1.7
177.00690	11.8
177.02051	2.5
177.04070	2.6
177.44174	1.7
179.06972	3.0
182.08047	2.0
189.00685	4.2
195.01782	4.9
195.04942	2.6
199.18881	11.5
200.09010	3.2
200.12799	9.3
200.19043	3.1
210.01930	2.7
219.01711	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	199.0964
Annotation	1-(3,4-Dimethoxyphenyl)ethane-1,2-diol
Peak:m/z	Relative Intensity
53.03942	4.0
55.01827	4.3
55.05462	6.1
56.96519	1.2
57.03384	0.7
57.07041	1.5
57.93530	1.7
58.06564	0.7
59.06097	1.4
61.47413	0.7
65.03890	1.5
67.05504	6.8
69.03401	1.6
69.07056	5.5
71.04961	1.8
71.49853	1.3
71.50220	0.9
72.04467	1.2
72.08110	1.4
74.09715	7.8
75.94568	1.6
77.03895	1.3
77.26531	0.7
79.05489	26.3
81.03389	1.6
81.07058	11.3
83.04927	3.2
83.08614	3.7
84.08076	0.7
84.08925	1.3
85.06493	1.9
86.09697	1.8
91.05478	21.7
93.03362	0.9
93.07038	41.5
94.07349	1.2
94.44834	0.7
95.04405	0.9
95.04964	12.4
95.06055	0.7
95.08575	5.2
96.04424	0.7
97.02862	1.3
97.06535	5.6
97.13142	0.8
98.97541	2.1
100.07561	2.3
103.05473	4.5
105.03339	0.8
105.04467	2.0
105.06976	3.3
107.01282	0.8
107.04962	4.2
107.08599	5.3
109.06519	7.5
109.10142	1.0
111.04435	6.9
111.08067	6.4
116.97228	13.5
116.98595	1.7
117.07001	1.2
121.06496	43.8
121.10065	1.0
123.04391	2.3
123.08051	14.6
125.05966	2.4
125.09599	2.0
127.03905	3.5
128.98511	0.7
129.04224	0.8
129.05348	0.9
131.99509	2.8
133.06432	1.4
134.95842	1.3
134.99638	1.3
135.08031	5.7
136.08578	0.8
137.05984	1.0
139.03854	3.0
139.07532	30.8
140.04675	3.3
140.08031	0.8
142.07703	0.8
143.08595	1.5
147.69388	0.8
149.05965	10.0
151.07506	1.4
152.96947	4.3
153.05467	2.2
153.09094	1.9
155.07045	1.8
156.09320	0.9
157.10117	1.4
163.07523	2.2
166.06300	1.2
167.07031	100.0
168.07387	2.0
170.97929	0.9
171.07921	0.7
171.11613	1.0
175.98532	8.7
179.06987	1.5
181.08611	12.6
185.08060	1.5
199.03929	0.8
199.05927	1.4
199.07718	1.7
199.09660	4.7
199.11189	1.2
199.14873	2.4
199.18883	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	199.1481
Annotation	Guaiazulene
Peak:m/z	Relative Intensity
53.03939	0.6
55.05511	4.7
56.05842	0.8
56.11316	0.4
56.96552	2.2
57.03438	0.4
57.07060	1.8
57.93563	1.6
58.07405	0.6
65.03959	0.6
67.05497	1.2
69.07071	5.4
70.22332	1.6
71.16814	0.5
72.04517	0.6
74.09724	5.3
75.94598	1.0
77.03925	0.6
79.05492	4.9
81.07050	2.2
83.08606	1.8
91.05483	7.8
93.07041	10.8
93.95643	0.5
95.04970	1.4
95.08614	0.6
97.06502	0.5
97.10184	0.6
98.10531	0.5
98.97601	0.6
100.07620	1.6
103.29450	0.5
105.06322	0.9
105.07031	16.9
107.08601	7.0
111.04461	1.3
115.05435	2.4
116.97217	9.6
116.98563	0.5
117.07013	1.4
119.08585	17.2
121.10130	1.1
128.06212	6.5
129.07019	9.2
131.08553	2.5
131.99586	2.6
133.10149	1.3
134.95850	0.9
134.99652	0.9
139.98788	0.7
141.07013	3.7
142.06628	0.8
142.07784	22.2
143.08563	34.2
144.09425	1.1
145.10106	2.5
148.23940	0.5
148.96170	0.9
152.96907	3.0
155.08563	5.6
156.09354	12.9
157.10129	60.6
157.97549	0.5
158.10738	2.1
165.07150	0.5
169.10136	14.8
170.10913	10.0
170.98021	0.6
171.11693	22.2
173.80856	0.5
175.98528	7.6
183.11678	1.4
184.12469	18.4
197.13248	0.5
199.00189	0.8
199.03915	2.2
199.11230	2.4
199.14827	100.0
199.18843	27.8
200.15137	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0753
Annotation	3,4-Dihydroxyfluorene
Peak:m/z	Relative Intensity
53.03960	0.2
55.05508	0.9
56.17351	0.2
63.89656	0.2
65.03939	0.2
67.05502	0.6
69.07056	0.5
71.04993	2.6
71.51345	0.3
73.06049	0.2
74.09717	1.5
77.55402	0.3
79.05498	1.1
81.07048	0.4
83.08634	0.5
86.62278	0.2
91.05488	0.6
93.06995	0.5
97.06582	0.3
100.07617	0.5
103.05484	0.4
104.06258	0.3
105.07056	0.5
107.08598	1.6
111.04448	0.5
115.05453	4.3
116.97223	1.1
121.10122	0.9
127.05446	0.5
128.06219	21.5
129.07004	0.4
131.04903	0.3
131.08615	0.4
132.05727	0.3
139.03909	0.3
139.05403	0.2
140.06215	0.5
141.06982	4.1
142.07747	0.5
143.04909	0.3
143.08551	1.8
145.06480	0.7
149.09622	0.5
152.06203	0.5
152.96910	0.3
153.06972	0.3
155.04919	0.8
155.06049	0.3
156.05698	28.3
157.06090	0.5
157.10150	1.1
159.08046	0.3
168.05704	4.8
169.06468	2.8
169.10098	0.3
170.07237	0.5
171.04382	0.3
171.08052	3.8
171.11655	0.5
175.98526	0.6
184.05194	60.4
185.05490	1.4
199.07536	100.0
199.14786	1.4
199.18895	7.3
200.07899	2.9
203.09718	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0753
Annotation	3,4-Dihydroxyfluorene
Peak:m/z	Relative Intensity
55.05495	0.5
57.07068	0.6
67.05502	0.6
69.07053	0.5
71.04988	2.5
71.45873	0.8
74.09716	1.2
75.45831	0.3
79.05488	0.9
80.05804	0.3
81.07050	0.4
83.08588	0.5
91.05497	0.4
93.07059	0.8
102.04648	0.4
105.07064	0.4
105.83603	0.3
107.08574	1.0
111.04446	0.5
115.05444	5.5
116.97224	0.9
121.10149	0.6
127.05392	0.3
128.06210	21.4
129.06798	0.4
139.05382	0.4
141.06995	4.3
142.07712	0.4
142.86226	0.3
143.08534	1.4
145.06468	0.4
152.06181	0.7
155.04869	0.9
156.05688	27.8
157.06073	0.6
157.10115	0.7
167.04750	0.3
168.05696	4.7
169.06468	2.7
170.07201	0.5
171.08043	3.5
175.98470	0.5
184.05188	60.0
185.05507	1.4
190.17558	0.3
199.07530	100.0
199.18912	5.5
200.07858	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	199.0754
Annotation	3,4-Dihydroxyfluorene
Peak:m/z	Relative Intensity
55.05495	1.4
69.07066	0.9
70.07394	0.5
71.04961	0.5
71.51331	0.5
72.04525	0.5
72.36567	0.4
74.09715	2.6
79.05494	0.9
81.07037	1.0
82.07896	0.4
83.08597	0.8
91.05466	0.9
93.07056	0.6
100.07594	0.6
103.05477	0.6
105.07017	0.9
107.08608	0.6
111.04453	0.7
113.06001	0.4
115.05456	5.8
116.97243	1.4
121.10130	0.4
128.06229	21.4
139.05432	1.0
140.04678	0.5
140.06207	0.6
141.07011	4.3
142.07751	1.1
143.08559	2.5
152.06108	0.6
153.06885	0.5
155.04890	1.1
155.08521	0.6
156.05701	26.0
156.09264	0.7
157.06021	0.7
157.10103	1.7
168.05717	5.6
169.06499	3.3
170.07085	0.4
171.08060	4.5
171.11655	1.4
175.98517	0.9
184.05202	57.6
185.05566	1.0
199.07550	100.0
199.14790	3.6
199.18881	10.6
200.07909	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	2.5
56.05036	12.4
56.96570	6.4
57.04548	2.3
57.93552	2.6
58.99848	1.3
59.06118	1.8
69.07056	3.0
70.07391	1.5
71.04972	1.3
71.15652	2.2
71.15992	2.0
72.04514	2.2
74.09719	7.2
75.94604	1.7
81.03407	1.6
81.07047	1.6
82.01451	1.1
82.99837	1.4
83.06059	1.2
83.08620	3.1
95.04964	1.0
98.96202	1.2
98.97584	22.7
99.04441	1.8
99.05560	6.2
100.02474	6.9
100.07610	2.1
101.00858	6.3
107.02746	1.0
111.04432	4.0
111.06896	1.1
116.00231	1.8
116.01954	10.2
116.97242	21.9
116.98608	24.4
118.03519	25.0
119.01919	41.8
120.02010	2.8
121.01643	4.5
130.03485	3.8
131.01917	2.6
131.99513	4.7
132.05064	4.7
133.04520	1.5
134.02989	100.0
134.04671	3.1
134.06783	1.4
134.33995	1.0
134.95886	1.6
134.99649	19.2
135.03075	3.5
136.04539	27.6
137.02968	22.2
138.03056	1.3
139.02634	2.4
139.03610	2.6
140.00133	1.3
140.01860	1.0
140.04651	1.3
142.03487	7.1
146.02940	1.6
148.04520	1.4
148.96182	1.6
150.06088	2.4
152.04047	24.1
152.05870	2.3
152.96890	7.6
153.00720	4.8
156.97449	2.8
157.03450	2.1
157.04581	23.5
157.05518	0.6
157.97491	2.0
158.02988	8.9
158.04622	1.6
158.51364	1.6
160.04550	9.3
161.02914	3.7
170.97972	2.3
171.04951	1.1
172.04565	6.1
173.07735	2.4
174.06058	2.0
174.98584	2.5
175.04082	4.1
175.05656	27.7
175.98540	18.1
176.02458	3.1
176.04028	39.9
176.05807	9.9
177.00937	3.8
178.05580	2.8
180.06192	1.8
181.04547	2.4
183.37032	1.1
189.06073	1.8
190.05643	3.9
193.05070	2.3
193.06717	11.9
194.05089	13.5
194.06944	4.5
199.04095	1.6
199.05685	13.4
199.08026	1.8
199.18884	34.8
200.04071	2.9
217.06874	15.1
217.08966	2.3
218.05151	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.5
55.05501	1.0
56.96563	3.5
57.03437	2.0
58.99855	0.6
60.08163	25.0
61.02924	1.0
66.19421	0.2
67.04211	0.3
67.05508	1.1
68.04680	0.5
68.05029	7.0
69.03432	2.4
69.07081	0.8
69.84081	1.3
69.84492	0.5
70.06589	0.6
71.04984	0.4
71.08631	0.3
73.02919	3.0
77.00882	0.5
79.05488	0.4
81.03410	0.8
81.07043	0.4
82.01448	0.5
82.06575	0.3
82.99853	0.3
83.04980	1.0
83.08633	0.5
85.01411	0.3
85.02908	2.5
86.09726	0.3
87.04478	0.4
88.02680	0.3
92.74108	0.3
93.03414	0.4
93.07046	0.3
95.06090	100.0
96.06413	1.4
97.02879	2.1
97.10182	0.3
98.97585	0.9
99.04453	0.5
100.02491	3.7
101.00877	2.1
102.02414	0.7
103.02458	2.5
105.00340	0.2
108.02402	0.4
109.02921	0.4
110.07175	0.3
110.97565	0.7
111.02946	0.9
111.04437	0.5
111.05569	0.9
113.00870	0.8
113.02357	0.4
113.98123	0.2
114.02462	0.3
115.02435	0.8
115.03204	0.4
116.27819	0.2
116.98639	0.5
117.02992	0.5
117.03983	0.3
118.01160	0.3
118.03516	2.8
119.01917	5.2
119.03580	0.3
120.01987	1.2
120.03419	1.0
121.01645	1.0
121.03474	1.3
124.07567	0.3
125.02466	0.3
127.03906	0.6
128.04248	0.3
128.98610	1.0
129.00301	0.3
129.02901	0.7
129.03983	1.0
131.01904	3.4
131.02844	0.4
133.01657	0.9
133.03496	1.4
134.05991	0.3
134.99712	0.4
137.02939	0.8
137.06052	0.3
138.03265	0.6
138.06456	0.3
138.96370	0.3
139.04022	0.2
139.05035	0.4
141.03932	0.4
143.01906	1.3
144.03362	0.7
144.05087	0.7
145.03423	1.6
146.99646	0.7
147.01395	2.1
148.01358	0.3
149.02948	1.4
150.03331	0.4
152.07053	0.5
153.04025	0.3
154.03552	0.5
154.13387	23.5
155.01880	0.8
155.13780	0.3
156.01926	0.2
156.97423	1.5
157.03497	0.8
160.97612	0.6
161.02927	3.3
161.03983	0.3
162.04503	0.4
165.09021	0.3
166.04906	0.3
166.75807	0.3
167.01955	0.3
169.03540	0.6
169.04843	0.3
170.02983	3.0
172.04575	0.3
173.02972	2.8
174.03244	0.4
174.98685	2.1
175.00699	0.3
175.02699	1.0
175.04520	0.7
175.06279	0.3
180.06535	0.3
185.02937	1.7
187.04478	0.3
193.00215	3.1
193.01881	0.5
197.02977	0.6
198.12448	5.6
198.18530	12.8
198.98526	0.7
203.04012	1.2
204.04103	0.3
207.23514	0.3
211.01338	0.4
216.99736	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.0247
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28276	0.7
55.01869	1.7
55.05516	3.2
56.96571	5.6
57.03439	3.8
57.07069	3.6
58.99859	2.3
60.08164	24.7
61.02922	3.5
67.05508	1.1
67.39923	0.6
68.05022	7.0
69.03417	4.0
69.07066	4.3
70.24493	2.2
70.24841	0.7
70.98123	0.6
70.99873	1.3
71.08642	0.9
71.95277	0.8
72.04508	0.6
73.02900	1.8
77.00913	2.3
78.23083	0.6
79.05488	1.6
81.03436	1.0
81.07051	1.4
82.01432	4.3
83.08620	4.1
85.01412	3.3
85.02911	5.0
86.06068	0.9
88.02684	0.9
93.07050	1.5
95.06089	100.0
97.02909	2.0
97.06537	0.8
97.10151	1.7
98.97592	1.4
100.02480	24.8
100.07658	0.7
101.00903	3.2
102.00980	2.6
102.02341	2.3
103.02441	17.3
104.53313	0.7
109.02882	1.1
110.97546	0.8
111.02916	1.2
111.05618	0.9
113.00867	1.7
113.02396	1.8
114.00861	0.6
115.02426	1.6
115.03204	0.8
118.03518	17.1
118.04327	1.0
119.01925	11.0
120.02000	9.3
120.03397	2.0
121.01670	2.4
121.03479	13.3
123.04036	0.6
124.95487	0.9
126.04028	3.8
127.03941	0.9
128.98558	0.8
129.00339	2.1
129.03957	1.9
131.01915	9.6
132.02014	1.1
132.05063	1.3
133.03436	3.0
134.06053	1.3
137.02934	2.1
138.03123	2.2
139.02632	0.7
141.05038	1.1
142.96516	3.9
143.01880	1.9
144.05083	4.9
145.03429	1.4
146.01390	0.7
146.99554	1.9
147.01392	11.7
147.03952	1.1
149.02946	5.4
151.04608	0.7
152.01962	1.4
152.07065	1.5
154.03474	3.4
154.13383	23.8
155.01955	0.7
156.04572	0.6
156.97440	0.7
157.03474	2.0
160.97543	3.2
161.02867	3.2
165.02501	1.2
166.53955	0.6
170.02986	23.4
171.03259	1.4
172.04565	2.3
173.02988	2.4
174.99048	2.5
175.00920	2.3
175.02625	1.2
175.04572	1.0
178.98666	0.7
180.06596	1.8
180.11111	0.8
184.04646	0.7
185.02934	1.3
193.00201	3.5
193.01947	1.7
198.00688	0.6
198.02539	1.1
198.12447	5.7
198.18529	79.8
203.04037	1.5
211.13701	0.7
216.01756	0.7
216.99669	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1173
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
53.03934	3.4
55.01860	3.3
55.05515	5.8
56.72683	0.9
57.03429	1.3
57.07075	1.0
59.04983	4.2
65.03943	1.9
67.05506	10.5
69.03409	3.5
69.07054	1.9
69.85404	2.1
69.85818	3.1
70.95843	3.8
71.04984	5.2
72.93766	1.8
73.02912	1.5
77.03915	1.1
79.05494	18.6
81.03399	1.8
81.07060	18.0
83.04982	2.4
83.08620	1.4
85.02921	4.4
85.06518	1.3
91.04903	1.5
91.05481	27.6
93.07042	30.2
94.04185	1.1
95.04971	24.0
95.08611	9.5
97.02892	11.2
97.06525	2.2
98.20880	1.3
99.04462	4.7
103.05460	1.0
105.03371	2.5
105.04485	1.2
105.07032	42.2
107.04942	5.1
107.08591	74.8
108.05700	1.3
109.02863	2.6
109.06519	23.2
109.10162	7.2
111.04424	2.6
111.08075	18.4
111.22475	0.9
111.98479	2.4
115.05429	2.2
117.07001	2.1
118.07775	1.3
119.04929	2.5
119.06046	1.3
119.08583	10.8
121.06511	8.6
121.10165	1.1
123.04409	5.7
123.08076	6.0
123.11695	3.2
125.05979	4.0
127.03915	77.7
128.04207	1.4
131.08549	3.1
132.95847	3.6
133.06535	5.9
133.10129	71.0
135.08037	2.7
135.11688	58.9
137.05025	1.3
137.05980	12.2
137.09605	5.1
139.07556	1.0
141.05484	0.9
143.08524	1.1
144.95915	1.0
146.07269	3.3
147.04437	1.0
150.96872	5.3
151.03899	6.9
151.07555	9.1
151.11174	6.5
153.05447	1.7
155.97429	2.4
161.05972	2.2
161.09610	36.2
165.05482	5.2
167.07036	4.3
173.98506	4.6
179.07146	12.0
179.10663	100.0
180.11052	1.0
197.06367	1.4
197.08128	9.7
197.10173	2.6
197.11726	65.0
198.11815	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1172
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
52.52767	0.5
53.03949	2.3
55.01867	1.1
55.05513	2.9
57.07070	0.6
59.04744	0.6
59.05003	3.4
61.75535	0.6
65.03942	1.2
67.05503	8.3
67.91432	0.6
69.03429	1.8
69.07072	2.2
70.95865	1.0
71.05004	0.6
71.51083	1.1
73.02931	0.8
77.03952	1.1
79.05493	9.1
81.03407	1.1
81.07058	8.2
83.04974	1.1
83.08629	0.6
85.02890	1.0
85.06525	1.8
91.05480	24.4
93.07043	25.2
95.04962	11.5
95.08601	4.7
97.02894	1.0
97.06514	1.7
99.04459	0.9
103.05441	1.0
105.03402	2.1
105.07032	33.1
107.04956	2.0
107.08592	74.3
108.08907	0.7
109.02840	0.6
109.06513	12.3
109.10153	6.5
111.08104	1.6
111.98471	1.6
113.08221	1.5
115.05459	1.0
117.07026	1.0
119.04939	2.3
119.06063	1.2
119.08581	10.3
121.06490	7.9
121.10159	1.7
123.04443	4.7
123.08031	1.2
123.11724	3.6
125.05985	0.9
127.03910	2.8
131.08531	3.3
132.95804	0.9
133.02861	2.9
133.06458	1.2
133.10127	71.4
135.04437	0.9
135.08046	2.5
135.11691	62.0
136.11977	0.9
137.05980	8.1
137.09604	4.5
141.06984	1.7
143.08537	1.4
146.07237	1.7
150.96893	1.9
151.03914	2.2
151.07524	1.8
151.11177	6.8
152.56657	0.6
155.97464	0.9
161.09619	34.1
165.05481	3.8
167.07033	1.7
167.10722	0.6
169.06470	1.6
173.98486	1.4
179.10667	100.0
180.10982	2.0
197.05952	3.4
197.08002	2.5
197.11728	68.5
198.12038	1.1
198.18573	1.0
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	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
53.03943	2.4
55.01855	2.1
55.05506	2.8
57.31024	0.5
65.03946	0.5
67.05508	4.2
69.03409	1.7
69.45596	3.5
69.45986	0.7
71.04996	6.1
74.80991	0.5
79.05076	0.6
79.05492	6.9
81.03410	1.2
81.07053	7.1
83.01329	1.0
83.04954	1.6
83.08595	0.7
85.02898	4.0
91.05479	3.8
93.07070	2.5
94.31767	0.4
95.04964	14.8
95.08605	6.1
97.02888	13.2
97.06496	1.0
99.04448	5.9
103.05451	0.8
105.03387	0.5
105.07035	7.0
107.04961	1.8
107.08604	1.4
109.02884	3.2
109.06509	6.9
111.04460	1.2
111.08076	22.3
115.05383	0.5
117.07016	0.6
121.06438	1.1
123.04443	3.4
123.08070	4.6
125.05989	1.3
127.03911	100.0
128.04245	1.1
133.06490	5.6
133.10236	0.5
135.04417	0.7
137.05975	1.3
149.05949	0.6
151.03922	6.5
151.07542	6.3
153.05434	2.5
161.06029	1.7
169.04906	1.2
169.08615	0.9
179.07025	12.1
179.08575	0.8
181.07985	0.5
197.08087	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	197.0809
Annotation	1135-23-5
Peak:m/z	Relative Intensity
53.03939	3.1
53.64231	0.7
54.51627	0.6
55.01875	6.5
55.02104	1.3
55.05273	1.0
55.05518	12.4
57.03443	0.7
60.21188	0.7
65.03941	2.4
66.22836	0.6
67.05507	11.5
69.03421	2.8
69.07069	0.8
69.31229	7.3
69.31539	0.7
70.95853	1.7
71.01350	6.2
71.04976	1.2
72.93791	1.2
77.03916	1.4
79.05492	18.3
81.03409	3.0
81.07058	55.7
82.07405	0.9
83.01340	0.8
83.04993	4.3
85.02866	0.9
91.05484	12.5
93.07049	9.6
94.04175	2.9
95.04394	0.9
95.04973	10.3
95.08604	25.0
97.02900	5.8
97.06529	3.1
99.04443	3.0
103.05482	2.6
105.03394	2.0
105.04542	0.7
105.06313	1.7
105.07029	32.1
107.04953	5.9
107.08599	9.5
108.05759	3.4
109.02886	1.3
109.06517	100.0
109.10188	1.5
110.06866	1.8
111.04424	1.6
111.08096	3.7
111.98462	2.6
113.08257	2.5
115.05448	2.2
119.04903	1.5
119.08598	1.5
121.06531	5.7
123.04442	2.7
123.08065	28.2
123.11765	0.8
125.06001	11.6
127.03918	12.2
132.95854	3.2
133.06502	24.2
133.10118	6.2
134.06981	0.8
135.04451	1.6
135.08040	2.5
135.11699	3.4
137.05975	44.6
137.09598	1.4
147.04440	0.8
147.06224	0.9
149.05981	7.3
150.96898	3.3
151.03979	3.5
151.07541	64.2
152.07898	1.0
155.07074	0.8
155.97450	2.2
161.05978	8.1
161.09688	2.9
165.05458	5.7
167.07047	7.2
169.06593	0.8
169.08629	0.9
173.98569	2.0
177.05534	1.5
179.07047	23.9
179.09250	1.4
179.10587	6.7
180.07433	0.8
195.06540	1.8
197.06241	1.4
197.08121	14.4
197.10033	2.8
197.11650	4.7
197.13266	0.8
198.18584	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0808
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
51.02375	0.9
51.57301	0.7
53.03942	3.8
55.01870	3.7
55.05510	6.3
57.03419	0.9
60.09514	0.6
65.03927	1.8
67.05496	12.6
69.03413	3.1
69.33311	5.1
69.33734	1.6
71.01357	0.7
71.04986	5.8
73.02915	1.0
77.03913	1.3
79.05491	29.5
81.03416	2.3
81.06598	1.2
81.07053	21.1
83.01311	0.7
83.04964	3.0
83.05437	0.7
83.08622	1.6
85.02905	4.4
91.05476	11.9
93.07047	7.2
95.01295	1.0
95.04961	26.7
95.08600	11.4
96.59890	0.7
97.02882	11.7
97.06516	1.5
99.04453	6.8
103.05455	2.1
105.04517	1.1
105.07027	21.4
107.04959	4.3
107.08601	4.0
108.05765	1.1
109.02850	4.1
109.06515	26.2
111.04449	3.1
111.08076	57.0
112.08366	1.0
114.98949	0.8
115.05457	1.5
117.06999	1.6
121.06510	3.7
123.04438	6.0
123.08062	8.8
125.02361	0.7
125.05976	4.6
127.03911	100.0
128.04257	0.9
132.95851	1.2
133.02823	0.9
133.06488	13.8
135.04385	2.4
135.08058	1.5
137.05969	8.6
149.06050	1.1
150.96956	1.3
151.03911	13.9
151.05109	0.8
151.07521	15.4
153.05429	5.3
155.07004	5.4
155.97409	0.8
161.05972	3.9
169.04962	1.3
169.08594	0.8
173.98537	1.0
179.07025	32.3
179.10548	1.2
180.07423	0.8
182.11015	0.6
197.08093	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	197.0809
Annotation	1135-23-5
Peak:m/z	Relative Intensity
53.03943	3.2
55.01871	3.3
55.05516	3.9
57.03444	0.8
59.05004	1.9
65.03942	7.1
66.04690	0.7
67.05506	28.2
69.03432	3.9
69.07066	4.1
69.79626	4.0
70.95871	1.3
71.01337	1.8
71.02654	0.7
71.04995	3.1
72.93791	1.0
79.05495	23.8
81.03416	2.7
81.07060	41.6
83.01339	1.7
83.04971	1.2
91.05482	44.8
93.07025	5.9
94.04189	10.7
95.04972	37.8
95.08607	3.2
97.02889	3.8
97.06532	11.6
99.04455	4.6
103.04006	1.2
103.05470	1.5
105.04559	1.0
105.07031	8.5
107.04954	11.7
107.08591	1.6
109.06519	100.0
110.06870	1.1
111.04442	2.2
111.08077	1.0
119.04951	10.2
119.06033	1.8
121.06498	1.5
123.08082	4.2
125.05993	1.5
127.03917	25.0
133.06482	3.2
133.10133	1.2
137.05980	40.3
141.09593	0.8
143.03412	1.1
147.04390	3.1
147.88596	0.8
150.96904	3.6
151.03931	6.0
151.07518	6.8
155.97475	1.1
157.65486	0.8
161.06006	1.7
165.05457	4.5
169.08658	1.6
173.98506	1.7
179.07069	7.3
193.77045	1.0
197.08081	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	197.0807
Annotation	4-Ethoxy-3-methoxybenzoic acid
Peak:m/z	Relative Intensity
51.07159	0.4
53.03943	2.6
55.01860	1.9
55.05511	2.5
57.03417	0.5
65.03935	0.6
67.05502	3.7
69.03409	1.4
70.66042	0.7
70.66435	0.9
71.01337	0.6
71.04988	5.9
73.26156	0.4
79.05481	5.9
81.03388	0.9
81.07057	6.7
83.04955	1.5
83.08582	0.4
85.02911	3.6
91.05471	2.6
93.07051	2.5
95.04382	0.9
95.04967	13.2
95.05578	0.6
95.08600	8.1
97.02888	10.7
97.06480	0.4
99.04460	5.8
103.05473	1.1
105.07028	7.2
107.04936	1.5
107.08587	0.9
108.05749	0.4
109.02878	2.6
109.06520	6.3
111.04460	1.9
111.08074	25.6
121.06513	1.0
123.04415	3.1
123.08068	5.0
124.64133	0.4
125.05958	2.1
127.03910	100.0
128.04234	1.2
133.06482	5.3
137.05978	0.8
151.03902	5.8
151.07542	6.7
153.05458	1.7
161.06042	1.9
167.07083	0.4
169.04890	0.6
169.08566	0.8
173.10197	0.4
179.07019	8.6
189.10492	0.4
197.08092	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	197.0807
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
53.03946	4.0
55.01872	3.2
55.05505	5.7
55.39891	0.6
57.03425	0.6
59.85459	0.5
65.03936	0.7
67.05502	7.8
69.03417	2.4
71.00213	1.0
71.01346	0.8
71.04993	5.5
73.02899	1.4
77.03883	0.6
79.05491	26.0
81.03410	2.7
81.07050	19.4
83.01302	0.8
83.04970	3.6
83.08616	1.0
85.02905	3.9
91.05478	8.3
93.07047	6.4
95.04965	26.8
95.08058	1.0
95.08600	9.5
97.02896	10.0
99.04443	7.2
103.05476	1.7
105.03384	0.9
105.04526	1.1
105.07024	16.8
107.04950	6.0
107.08614	3.1
108.05782	0.9
109.02900	2.8
109.06516	22.4
109.07269	1.1
111.04453	2.3
111.08077	54.3
112.08379	1.0
115.05444	1.1
117.07040	2.5
119.05003	0.7
121.06501	2.7
123.04420	5.8
123.08057	7.9
125.05980	2.9
127.03912	100.0
128.04260	1.4
133.06483	11.6
135.04416	1.7
137.05963	6.4
149.06038	1.1
151.03915	13.3
151.05107	0.8
151.07535	14.3
153.05476	4.9
155.07022	4.3
161.05943	4.6
163.97432	0.6
169.04967	1.3
169.08606	1.5
171.24692	0.6
179.07021	36.2
180.07358	0.7
197.08078	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	197.0807
Annotation	4-Ethoxy-3-methoxybenzoic acid
Peak:m/z	Relative Intensity
53.03941	2.2
54.62605	0.4
55.01865	1.7
55.05511	2.8
57.07066	0.5
65.03927	0.8
67.05501	5.1
69.03424	2.3
69.07055	0.6
70.35316	1.5
70.95860	1.0
71.01321	0.5
71.04990	5.7
72.93774	1.2
79.05489	8.6
81.02875	0.5
81.03398	1.8
81.06592	0.7
81.07054	9.3
83.04993	2.2
83.08630	0.5
85.02906	3.7
85.06535	0.6
90.94809	0.5
91.05477	5.0
93.07037	3.0
94.04166	0.6
95.04969	11.6
95.08609	7.7
97.02888	12.5
97.06509	1.0
99.04454	6.2
103.05466	1.0
105.03371	0.7
105.07030	8.0
107.04969	2.4
107.05598	0.5
107.08587	4.8
108.05757	0.6
109.02873	3.3
109.05803	0.5
109.06514	9.8
109.10166	1.2
111.04438	1.6
111.08078	23.0
111.98477	1.5
112.08405	0.5
113.08266	1.0
119.04973	0.6
121.06538	1.2
123.04455	4.4
123.08054	5.0
125.05982	2.1
126.26719	0.4
127.03912	100.0
128.04240	1.3
129.99490	0.6
132.95876	2.6
133.06499	5.0
133.10121	3.5
135.04387	0.7
135.08118	0.5
135.11674	3.1
137.05962	4.4
141.05411	0.7
149.05974	0.6
150.96880	5.1
151.03902	5.8
151.07553	7.6
151.11153	0.5
153.05452	2.7
155.97418	2.0
161.06001	1.5
161.09612	0.9
165.05492	2.1
167.07097	0.8
167.08501	0.5
169.05084	1.0
169.08603	1.2
173.98424	3.0
179.07045	10.3
179.08682	0.8
179.09248	0.7
179.10616	3.9
182.10741	0.5
197.06252	1.2
197.08089	13.8
197.09950	1.4
197.11638	3.2
197.13210	0.5
198.18600	1.5
207.86127	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.077
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51789	0.6
54.88916	0.6
55.01849	0.9
55.05506	0.7
56.05035	5.7
56.96562	1.3
57.07082	0.7
58.99862	1.3
59.06118	0.6
67.05502	1.4
68.05016	1.8
69.03434	0.8
69.07076	1.2
70.06580	1.2
70.95856	3.3
71.06100	0.9
71.07194	1.3
72.93773	2.2
73.02917	0.8
77.00908	1.2
79.05488	1.3
81.07027	2.2
83.08628	0.7
88.96918	0.9
91.05463	1.7
93.07024	1.2
95.01324	0.7
95.05009	1.1
95.06099	1.3
95.08615	1.4
96.05604	1.6
97.02923	1.2
97.03798	0.8
98.97594	1.6
100.02459	2.1
100.43814	0.7
101.00877	6.0
103.02441	1.3
105.07009	2.2
107.08588	2.1
108.02024	0.8
109.06472	1.4
111.08086	0.9
111.98465	3.1
113.08247	6.3
114.04045	1.7
114.94727	0.8
116.98638	2.0
118.03508	1.9
119.01920	37.9
119.08610	0.8
120.02014	1.4
120.03265	1.4
121.01665	1.7
127.00935	0.7
127.03922	1.4
129.99513	2.7
130.03500	1.2
131.01918	2.3
132.05074	33.5
132.95837	4.4
133.03473	2.3
133.05150	1.3
133.10106	3.5
134.02960	1.4
134.99687	1.9
135.03133	0.9
135.11696	2.0
136.04579	1.8
137.02956	19.6
137.05998	1.1
137.08218	2.2
138.02988	0.8
138.06654	0.9
142.03459	2.5
145.03477	2.0
146.99702	0.7
147.03781	9.0
150.06120	29.7
150.96870	11.1
153.00818	1.1
153.05009	0.9
154.03485	0.8
155.02954	1.4
155.06700	0.9
155.09319	4.2
155.97427	3.2
156.00319	1.2
156.04970	5.1
157.03500	0.9
158.02963	0.9
160.04495	1.7
161.09676	1.5
165.04823	5.3
172.04620	1.0
173.02888	2.9
173.04137	5.5
173.07811	1.6
173.98497	8.6
174.02763	3.2
174.06126	100.0
174.98692	0.9
175.04536	1.0
175.06197	2.8
177.00929	1.2
179.09200	2.7
179.10703	3.8
187.04500	1.3
191.03773	1.5
191.05167	2.6
192.07161	36.6
193.07257	1.1
195.07629	0.9
197.00514	2.2
197.04271	2.5
197.06142	1.3
197.07744	8.3
197.10109	2.0
197.11731	2.9
198.18550	2.0
208.90497	0.7
214.95483	0.8
215.01819	1.0
215.03537	1.0
215.05339	1.9
215.07079	1.4
217.32098	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	196.0968
Annotation	Damascenine
Peak:m/z	Relative Intensity
53.03949	0.3
60.81594	0.2
64.43707	0.2
65.03941	0.4
67.05505	0.4
67.75967	0.2
69.31184	2.3
70.89451	0.2
79.05496	0.7
80.05830	0.6
81.07046	0.6
82.07363	0.3
84.03764	0.2
91.05482	5.8
92.05008	0.9
92.05820	0.2
93.05815	0.3
93.07011	0.3
94.06537	0.4
95.04964	1.7
95.08606	0.4
96.05293	1.7
97.02897	0.5
104.05777	0.4
105.07024	0.4
107.04959	0.6
107.07360	0.3
107.08594	0.3
108.05219	0.5
108.08102	1.0
109.02899	0.3
109.06526	0.6
110.03212	0.6
111.08096	0.4
111.24046	0.2
116.98632	0.2
117.05768	3.5
118.06541	15.1
120.04486	1.0
122.06816	0.5
124.04801	0.4
125.06032	0.3
127.03948	1.6
132.05292	0.2
136.03929	0.2
136.07564	3.0
137.08485	0.3
138.05457	0.4
146.06007	44.4
147.06372	0.8
150.06331	0.4
151.03905	0.3
151.07513	0.3
152.04224	0.6
152.07063	0.7
162.05542	0.4
164.07063	12.7
166.04976	1.9
173.98535	0.3
178.08632	58.4
179.07133	0.3
179.09006	0.9
180.06567	0.7
181.07301	1.8
181.16524	0.2
196.09688	100.0
197.08232	0.4
197.10017	1.7
197.11687	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0659
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93314	1.0
53.03936	1.8
55.01863	6.9
55.05499	3.8
56.05021	1.9
56.96563	33.0
57.03156	1.9
57.03435	32.5
57.07064	1.5
58.99854	3.5
59.05000	8.1
59.84275	1.0
60.08148	3.1
61.02925	6.9
65.03944	1.6
67.05506	5.8
68.05019	2.7
68.98290	1.6
69.03429	96.7
69.07058	2.1
69.43631	2.8
69.44057	7.2
70.03733	2.0
70.06582	2.6
70.95857	6.3
70.98109	1.3
70.99852	1.8
71.01341	2.4
71.04986	5.1
71.95256	1.6
72.93782	5.4
73.02915	12.4
74.06065	1.0
74.97585	1.1
75.04472	4.2
77.00890	4.5
79.05485	10.7
81.03408	10.4
81.07048	8.6
82.01471	1.3
82.99826	2.6
83.04971	2.1
84.04475	1.8
84.08097	1.6
84.96013	1.6
85.02904	70.8
86.03249	2.3
86.99320	1.7
87.04469	34.8
88.04795	2.2
88.96900	1.9
89.00883	2.5
89.03452	1.2
91.03952	1.9
91.05476	7.6
93.07031	5.1
95.01933	1.4
95.04981	10.4
95.06091	17.6
95.08613	6.3
96.04258	1.0
97.02888	100.0
97.06517	1.2
98.03243	5.6
98.03765	1.1
98.97582	14.3
99.04455	5.3
99.05579	1.6
100.02499	5.9
101.00884	18.9
102.00960	1.8
102.02338	1.9
102.04213	1.4
103.02452	7.2
103.03052	1.2
103.05460	1.5
105.00386	2.7
105.03399	1.3
105.07027	9.2
107.03417	1.7
107.04946	10.0
107.08567	6.2
109.02876	8.5
109.06502	9.8
109.10153	2.0
110.97575	3.5
111.02905	1.1
111.05484	1.0
111.08070	10.5
111.98476	6.5
113.00840	8.7
113.08253	5.3
115.02438	16.3
115.03925	22.5
116.04076	1.0
116.98620	12.6
117.02140	1.1
117.02861	1.7
117.03175	1.5
117.03997	13.1
118.01096	2.0
118.03531	4.2
119.01917	77.8
119.04924	3.1
119.08598	1.4
120.02036	6.4
120.03391	1.8
121.01649	1.6
121.03464	4.8
121.06502	5.0
123.04414	2.7
123.08067	4.1
123.88744	1.0
125.05975	1.7
127.02467	1.4
127.03914	24.5
128.02209	1.2
128.98586	7.6
129.02930	2.2
129.03918	2.6
129.99550	5.2
130.01794	1.2
130.03564	2.3
131.01913	44.8
131.04462	4.7
132.02005	4.3
132.05060	6.9
132.95831	10.3
133.01624	1.9
133.03473	28.8
133.04964	8.6
133.06483	5.3
133.10112	4.6
134.03569	2.0
134.99663	8.7
135.05057	26.0
135.08038	1.4
135.11688	2.9
136.05217	2.5
136.93155	1.8
137.02983	16.9
137.04950	1.4
137.05968	10.1
140.04988	39.3
140.08188	1.2
140.55083	6.4
142.03462	3.7
142.96484	1.8
143.01888	16.2
143.03627	1.3
144.99817	2.2
145.01619	1.4
145.03441	17.4
146.03555	4.3
146.99669	6.3
147.01372	6.2
148.02853	1.6
149.02948	9.8
149.05998	8.9
150.06161	6.0
150.96866	19.7
151.03912	6.8
151.06461	1.3
151.07526	7.3
151.55833	5.3
152.05919	1.8
152.07062	2.9
153.00748	1.7
153.04022	1.7
153.05461	2.0
154.13388	4.8
154.90767	1.5
154.94225	2.9
155.01913	22.9
155.09279	3.8
155.97427	7.9
155.99664	2.0
156.01834	1.0
156.02638	3.6
156.05087	1.8
157.01544	1.9
157.03514	8.1
158.06638	1.7
158.99712	1.9
159.03986	2.5
159.05060	23.2
159.06157	0.9
160.05197	2.4
160.97559	2.0
161.02960	32.9
161.06577	3.8
161.09660	1.2
162.03075	3.5
163.02757	1.9
163.04498	9.8
164.04550	1.4
165.00676	1.3
168.04535	1.7
168.97890	1.3
168.99852	1.4
169.03542	1.3
170.03024	3.5
171.05014	28.2
172.05164	4.6
172.95253	9.0
173.01376	2.3
173.02940	31.5
173.04120	1.7
173.06546	8.9
173.98489	12.8
174.00734	5.0
174.03215	4.6
174.06087	19.3
174.99120	10.1
175.00761	2.2
175.04532	4.9
176.04076	1.5
177.00870	1.7
177.06105	13.5
178.06195	2.6
179.04106	2.3
179.05865	1.1
179.07056	10.2
179.09254	1.9
179.10577	5.7
180.06606	1.7
180.08817	1.2
183.05046	3.3
184.04550	1.7
185.02911	5.8
185.06642	3.0
187.00879	1.7
187.02893	1.6
187.04562	3.2
189.06070	28.3
190.06261	3.9
190.96213	7.3
191.03912	2.6
191.07654	3.7
192.01886	2.5
192.04030	1.9
192.07124	8.0
193.00220	18.7
193.01894	2.6
195.04973	2.7
196.04507	1.3
196.91817	4.6
197.02856	2.7
197.04584	1.5
197.06499	3.7
197.07997	4.3
197.10069	4.9
197.11761	3.2
197.17216	1.4
198.12308	1.2
198.18561	3.0
201.06064	15.7
202.06221	2.3
203.04019	11.2
203.05853	2.0
203.07642	2.7
204.04175	2.9
211.01183	2.1
212.07661	1.9
213.06087	7.0
214.06171	1.6
215.02031	1.7
215.03838	1.6
219.07106	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1379
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
52.42327	1.6
53.03937	8.7
55.01861	6.9
55.05510	19.4
56.96557	3.0
57.03418	6.3
57.07074	3.6
59.04958	1.7
65.03921	3.0
65.10828	1.2
67.05503	67.6
68.05836	1.3
68.99802	1.4
69.03405	3.9
69.07067	16.9
70.13143	5.6
70.29196	1.6
71.01340	5.6
71.04985	8.3
73.02906	2.8
75.55833	1.3
77.03901	1.3
79.05490	72.0
81.02936	1.5
81.03414	22.7
81.07052	100.0
82.07382	1.9
83.04974	19.3
83.08620	10.3
85.02902	2.1
85.06523	3.9
89.03918	3.4
89.06029	8.4
91.05473	36.6
93.03323	1.5
93.07041	77.4
95.01302	3.1
95.04963	60.8
95.08605	40.7
95.09222	1.1
96.05287	2.3
96.08927	1.9
97.02892	7.5
97.06524	21.5
97.10172	3.0
99.08053	2.4
103.05464	10.2
105.03386	1.8
105.04523	3.8
105.07018	14.0
107.04943	36.6
107.08590	31.9
108.08914	1.6
109.02861	21.9
109.06513	9.1
109.10143	5.3
109.98943	1.5
111.04437	4.4
111.08058	6.7
115.05462	1.8
117.03361	5.6
117.07013	11.4
118.06519	1.9
119.08559	5.1
121.02827	2.0
121.06493	19.7
121.10133	9.0
123.04421	7.5
123.08067	2.7
123.11734	1.4
125.02296	5.9
125.06011	7.0
127.03877	4.4
127.07562	1.5
129.07098	1.5
131.04898	4.2
131.08572	14.2
131.96127	3.2
133.02850	2.8
133.06509	1.9
133.10121	19.6
135.04399	13.7
135.08055	10.1
135.11674	32.3
139.07516	2.7
139.11160	1.8
145.02837	9.7
146.05988	5.2
148.97287	1.6
149.04929	1.5
149.05986	14.2
149.09604	5.2
149.13243	20.1
149.97139	10.0
151.03885	14.4
151.11176	3.2
153.05449	7.9
153.09085	2.4
159.04395	5.0
159.11685	19.0
163.03909	7.0
163.07523	2.9
164.07083	2.2
165.06966	4.4
167.03389	4.7
167.07013	4.0
167.08411	1.4
167.98265	2.3
171.98907	1.7
172.98785	4.6
177.05478	19.0
177.09105	2.1
177.12764	15.2
178.08650	6.9
180.09341	2.7
195.02835	7.5
195.06482	7.3
195.08234	2.8
195.10092	2.2
195.11728	3.4
195.13789	20.6
195.15704	3.4
196.07841	2.1
196.09679	13.6
196.17009	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1379
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
50.24928	0.8
53.03941	5.6
55.01873	4.5
55.05507	18.6
56.96556	4.2
57.03426	4.8
57.07069	2.4
65.03926	3.5
65.41771	0.8
67.05502	66.4
69.03439	3.5
69.07064	20.0
70.76728	1.7
70.77061	1.2
71.01348	3.6
71.04981	6.5
71.08627	0.9
73.02908	1.3
73.71977	0.9
79.05488	50.2
80.05785	1.1
81.03414	17.0
81.07051	100.0
82.07381	1.3
82.77215	0.9
83.04967	11.8
83.08614	12.8
85.06528	4.8
89.03910	1.5
91.05474	44.4
92.05838	1.0
93.07037	53.3
94.07346	1.7
95.04961	25.2
95.08601	33.6
97.02894	2.2
97.06523	13.0
97.10147	1.2
99.08071	1.0
103.05453	2.9
105.04520	2.5
105.07028	12.7
107.04952	23.5
107.05643	1.8
107.08588	26.6
107.73433	0.9
109.02865	6.7
109.06519	4.3
109.10133	4.5
111.08077	4.3
117.03367	1.6
117.07015	15.8
119.08583	3.8
121.06498	7.8
121.10130	10.3
123.04433	3.0
123.08055	1.7
123.11702	1.7
125.06007	2.7
127.03851	1.3
131.04927	1.7
131.08556	16.2
133.02831	2.3
133.10121	28.0
135.04414	8.1
135.08003	4.4
135.11684	31.9
139.07562	1.4
145.02844	1.8
147.11623	1.2
149.05981	4.0
149.09596	2.5
149.13249	18.5
149.97270	1.2
151.03917	4.4
151.11172	3.7
153.05501	3.5
153.09181	1.5
159.11671	17.5
161.91454	0.9
163.03896	9.1
165.05550	1.9
165.07014	1.4
167.03377	0.9
167.07117	2.1
167.08430	1.6
177.05470	5.6
177.12750	11.2
178.08627	2.2
195.02814	1.1
195.06546	4.7
195.08179	1.9
195.10120	1.3
195.11929	2.0
195.13779	16.7
196.09715	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	195.138
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03941	7.4
53.45663	1.1
55.01871	9.2
55.05269	1.6
55.05513	19.4
56.96566	9.4
57.03431	8.9
57.07069	2.0
65.03912	2.8
66.15746	1.1
67.05505	60.5
69.03416	5.7
69.07066	16.1
69.29282	11.3
71.01354	6.2
71.05010	6.9
71.05319	1.1
71.08620	1.3
73.02904	1.7
79.05492	61.5
81.03426	12.1
81.07055	100.0
83.04507	1.6
83.04975	16.1
83.08611	10.2
85.02856	1.3
85.06534	6.2
89.03920	4.4
89.06030	5.1
91.05478	30.6
92.05811	1.5
93.07043	67.6
95.04967	60.0
95.08605	41.2
97.02887	6.0
97.06532	17.9
99.08080	2.4
103.05479	7.8
105.03374	1.8
105.04514	3.9
105.07030	13.4
107.04959	28.8
107.08592	28.6
109.02883	17.5
109.06538	6.5
109.10156	6.6
111.04424	2.4
111.08092	7.1
115.05417	1.8
117.03383	5.7
117.07018	11.6
119.08582	3.5
121.02839	1.3
121.04092	1.5
121.06497	14.5
121.10142	10.0
123.04428	7.9
123.08073	19.4
125.02312	5.4
125.05974	5.9
127.03927	2.2
128.07385	1.3
131.04913	3.9
131.08572	14.0
131.96150	1.5
133.02832	2.4
133.10115	16.0
134.03569	1.6
134.04900	1.9
135.04439	7.8
135.08090	7.7
135.11685	30.1
137.06017	2.3
138.06656	1.5
145.02846	10.3
146.05940	2.2
148.97351	2.2
149.02274	1.5
149.05965	12.0
149.09613	4.1
149.13264	19.1
149.97203	5.4
151.03893	14.6
151.11197	3.8
153.05551	7.8
153.06573	1.3
155.08562	1.4
159.04401	1.9
159.11702	17.2
163.03937	9.2
163.07565	1.6
165.05688	2.2
165.06924	8.6
166.07643	1.4
167.03421	2.8
167.07166	2.6
167.08571	5.2
172.98775	1.7
174.08038	5.1
174.58344	1.4
177.05487	17.8
177.09061	3.5
177.12730	14.8
177.16299	1.5
178.08617	5.2
180.09375	7.6
183.08502	2.7
185.58824	2.3
195.00652	1.6
195.02875	4.5
195.06544	8.3
195.08313	3.8
195.10220	1.3
195.11687	22.5
195.13795	19.1
195.15576	2.5
196.09697	8.9
196.16959	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.138
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
50.82417	1.6
53.03938	6.0
55.01867	4.7
55.05513	26.1
56.65567	1.6
57.03431	4.9
57.07080	2.0
65.03933	3.5
67.05503	78.4
69.03416	3.8
69.07069	18.6
70.63934	1.6
70.64297	4.3
71.01357	1.8
71.05002	9.3
76.79164	1.4
79.05495	65.2
81.03426	17.5
81.07055	100.0
81.43384	1.5
82.07395	1.8
83.04980	36.9
83.08618	9.2
85.06539	5.2
91.05479	40.7
93.07040	75.4
95.04964	19.0
95.08602	52.7
95.73463	1.5
96.07702	1.8
97.02852	2.4
97.06527	20.3
99.08066	2.3
105.04529	1.9
105.07030	15.1
107.04974	5.5
107.08582	28.1
109.02876	9.6
109.06522	9.9
109.10159	5.4
109.72193	1.4
111.04452	1.7
111.08092	5.4
113.05997	2.0
117.03425	1.8
117.07018	18.7
119.08588	3.9
121.06503	8.8
121.10147	12.5
123.08054	3.0
125.05974	2.4
131.08565	21.3
133.10135	19.9
135.04436	3.3
135.08040	5.4
135.11690	32.1
145.02864	4.5
149.05989	3.9
149.09662	3.3
149.13263	17.1
151.03923	2.7
153.05493	1.8
159.11699	23.5
163.03876	1.7
166.67426	1.7
167.46835	1.6
177.05441	4.9
177.12723	15.1
182.99384	1.5
195.06543	2.2
195.12000	3.5
195.13800	24.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.138
Annotation	3,8-Dimethyl-4,6-decadiyne-3,8-diol
Peak:m/z	Relative Intensity
51.02376	2.3
53.03948	15.5
55.01865	9.8
55.05503	9.1
56.96554	2.1
57.03436	13.2
57.07057	2.8
61.99163	2.2
65.03928	5.8
67.05507	28.3
69.03414	8.1
69.07068	19.9
71.01352	6.1
71.04990	4.0
71.51356	3.7
77.03943	2.6
79.05493	67.8
81.03397	8.7
81.07063	34.5
83.04970	9.0
83.08617	3.9
84.08121	3.2
85.02889	3.9
85.06571	13.3
89.03916	10.3
89.06025	11.3
91.05478	25.5
93.03419	3.2
93.07041	37.6
95.01344	4.2
95.04973	94.3
95.08611	20.8
97.02927	10.7
97.06537	13.6
103.05466	19.2
104.01582	2.3
105.03384	3.6
105.04503	4.7
105.07015	14.0
106.04139	2.9
107.04955	100.0
107.08585	22.4
109.02885	42.4
109.06508	9.1
109.10142	7.3
111.04458	5.2
111.08099	3.3
117.03374	16.7
117.07005	4.0
118.06556	2.8
119.08570	6.3
121.02891	3.7
121.06506	25.8
121.10136	11.7
123.04443	15.7
123.08062	33.5
125.02361	11.0
125.06004	16.6
127.03912	7.2
131.04929	7.1
131.08545	9.0
131.96088	2.1
133.02866	11.4
133.03764	2.3
133.06499	4.1
133.10139	7.7
134.03665	3.7
135.04430	32.9
135.08057	10.8
135.11694	27.1
137.05984	5.6
137.09625	3.5
138.06531	2.2
139.03854	2.2
139.07574	4.2
139.11140	2.4
145.02861	28.5
145.03915	3.8
146.06006	6.8
148.97311	4.8
149.02263	2.4
149.05994	27.3
149.09599	7.1
149.13246	9.4
149.97191	4.7
151.03915	22.8
151.07515	3.5
152.04478	1.9
152.06197	4.0
153.05470	21.6
153.09113	4.6
159.04439	6.0
159.11649	5.4
162.03162	2.3
163.03912	37.8
163.07536	7.1
164.07022	3.0
165.05446	6.9
165.06989	9.6
167.03448	3.3
167.07002	10.5
167.08571	8.5
171.99016	3.8
172.98859	2.7
177.05478	48.7
177.09084	2.8
177.12733	17.7
178.05917	2.7
178.08632	8.4
180.09410	3.8
186.05484	3.3
195.02881	9.4
195.06511	20.2
195.08241	10.2
195.10182	7.4
195.11725	9.7
195.13802	13.4
195.15628	4.2
195.17462	3.4
196.09715	18.5
196.16885	4.4
199.66006	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	195.138
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03945	15.5
55.01871	11.9
55.05506	23.7
56.96566	26.6
57.03444	6.8
57.07070	6.5
64.08707	2.4
65.03941	7.3
67.05504	69.5
69.03423	7.4
69.07065	26.0
69.96147	2.3
70.06564	3.6
71.01358	6.3
71.03272	5.6
71.03619	3.8
71.04991	10.6
71.95285	2.4
73.02905	3.1
75.14478	2.6
79.05491	88.8
80.90026	2.6
81.03416	31.2
81.07054	100.0
83.01335	2.5
83.04980	28.1
83.08620	10.6
84.08136	2.3
85.06503	3.1
89.03912	4.9
89.06039	15.4
91.05479	43.2
93.07040	92.9
95.01323	6.2
95.04969	91.4
95.08604	46.8
97.02325	4.8
97.02888	12.8
97.06519	26.2
98.21573	2.6
99.04488	3.3
99.08086	4.4
103.05477	15.9
105.04495	5.9
105.07024	20.4
107.04956	59.4
107.08588	33.1
109.02879	42.6
109.06531	12.5
109.10157	7.8
111.04440	4.4
111.08073	11.3
117.03366	10.9
117.07015	14.8
118.06539	3.8
119.08579	5.7
121.02835	3.1
121.06505	25.8
121.10136	14.9
123.04435	12.8
123.08045	3.9
123.11707	3.9
125.02374	9.6
125.05969	9.5
127.03883	4.5
131.04918	11.3
131.08559	17.6
131.96164	8.7
133.02814	3.3
133.06433	3.0
133.10126	19.8
135.04402	22.2
135.08029	10.2
135.11684	30.5
138.06570	4.0
139.07533	7.3
145.02821	20.9
146.06012	13.6
148.04594	3.3
148.97382	6.4
149.05983	29.8
149.09665	4.6
149.13258	23.4
149.97208	22.2
151.03893	29.3
152.06226	3.1
153.05519	13.2
153.06699	2.5
153.09172	2.9
159.04393	3.5
159.11700	19.8
163.03915	17.4
164.07094	4.4
165.07010	7.9
167.03360	5.4
167.07085	4.0
167.08493	6.3
167.98245	4.2
168.55873	2.6
169.34248	2.6
171.98985	3.8
172.98753	5.4
177.05469	46.3
177.09091	2.9
177.12674	14.1
178.08595	19.6
180.09343	6.9
195.02818	12.8
195.06496	18.7
195.08264	8.5
195.10170	5.6
195.11725	16.9
195.13805	22.3
195.15623	5.9
196.09688	36.1
196.16994	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	195.1379
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03946	7.7
55.01870	7.2
55.05509	19.0
56.96551	3.0
57.03432	6.2
57.07069	1.6
59.04980	1.3
60.02692	1.2
65.03929	4.4
67.05499	59.4
68.05833	1.2
69.03426	8.7
69.06729	1.4
69.07063	16.3
69.85715	5.4
71.01342	3.0
71.04980	13.7
73.02885	1.2
77.03912	1.4
79.05485	70.5
81.03413	16.3
81.07049	100.0
82.07356	1.7
83.01350	4.6
83.04970	27.3
83.05465	1.4
83.08606	6.0
85.02905	1.2
85.06551	5.1
86.43790	1.2
89.03897	2.4
89.06021	3.7
91.05472	39.1
93.07034	67.9
94.07330	1.8
95.04961	40.5
95.07979	2.2
95.08597	44.3
97.02309	1.1
97.02892	12.0
97.06522	33.9
97.10157	1.1
103.05467	7.7
105.04473	3.3
105.07012	15.6
107.04944	25.2
107.08585	26.5
109.02869	71.1
109.06521	6.5
109.10144	5.1
111.04424	8.5
111.08082	5.1
115.05413	1.0
117.03361	5.3
117.07010	13.5
118.06528	1.0
119.08553	4.4
121.02850	1.5
121.06509	12.9
121.10149	8.9
123.04424	7.4
123.08067	2.9
125.02336	8.8
125.05981	16.1
127.03878	3.1
127.07546	1.0
131.04910	2.4
131.08534	14.3
131.96150	1.2
133.06454	1.6
133.10112	15.1
135.04407	25.3
135.08025	6.2
135.11684	29.3
138.06651	1.6
139.07550	2.3
145.02818	6.4
146.05942	3.0
148.97379	1.6
149.05975	11.6
149.09610	2.8
149.13251	15.2
149.96109	1.0
149.97189	4.2
151.03888	11.8
151.11116	1.8
153.05435	9.5
158.30997	0.9
159.04399	1.6
159.11665	18.5
159.98090	1.0
163.03908	6.5
163.07513	1.3
164.07047	1.2
165.07018	1.8
166.08678	1.6
167.03381	1.4
167.07054	3.9
167.08507	2.2
171.98888	1.1
177.05475	10.4
177.12703	10.0
178.08609	4.4
180.09320	2.3
195.02849	2.9
195.06516	9.5
195.08188	1.4
195.10091	1.7
195.11694	3.6
195.13780	18.0
196.09662	11.5
196.16989	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	15.5
55.01871	11.9
55.05506	23.7
56.96566	26.6
57.03444	6.8
57.07070	6.5
64.08707	2.4
65.03941	7.3
67.05504	69.5
69.03423	7.4
69.07065	26.0
69.96147	2.3
70.06564	3.6
71.01358	6.3
71.03272	5.6
71.03619	3.8
71.04991	10.6
71.95285	2.4
73.02905	3.1
75.14478	2.6
79.05491	88.8
80.90026	2.6
81.03416	31.2
81.07054	100.0
83.01335	2.5
83.04980	28.1
83.08620	10.6
84.08136	2.3
85.06503	3.1
89.03912	4.9
89.06039	15.4
91.05479	43.2
93.07040	92.9
95.01323	6.2
95.04969	91.4
95.08604	46.8
97.02325	4.8
97.02888	12.8
97.06519	26.2
98.21573	2.6
99.04488	3.3
99.08086	4.4
103.05477	15.9
105.04495	5.9
105.07024	20.4
107.04956	59.4
107.08588	33.1
109.02879	42.6
109.06531	12.5
109.10157	7.8
111.04440	4.4
111.08073	11.3
117.03366	10.9
117.07015	14.8
118.06539	3.8
119.08579	5.7
121.02835	3.1
121.06505	25.8
121.10136	14.9
123.04435	12.8
123.08045	3.9
123.11707	3.9
125.02374	9.6
125.05969	9.5
127.03883	4.5
131.04918	11.3
131.08559	17.6
131.96164	8.7
133.02814	3.3
133.06433	3.0
133.10126	19.8
135.04402	22.2
135.08029	10.2
135.11684	30.5
138.06570	4.0
139.07533	7.3
145.02821	20.9
146.06012	13.6
148.04594	3.3
148.97382	6.4
149.05983	29.8
149.09665	4.6
149.13258	23.4
149.97208	22.2
151.03893	29.3
152.06226	3.1
153.05519	13.2
153.06699	2.5
153.09172	2.9
159.04393	3.5
159.11700	19.8
163.03915	17.4
164.07094	4.4
165.07010	7.9
167.03360	5.4
167.07085	4.0
167.08493	6.3
167.98245	4.2
168.55873	2.6
169.34248	2.6
171.98985	3.8
172.98753	5.4
177.05469	46.3
177.09091	2.9
177.12674	14.1
178.08595	19.6
180.09343	6.9
195.02818	12.8
195.06496	18.7
195.08264	8.5
195.10170	5.6
195.11725	16.9
195.13805	22.3
195.15623	5.9
196.09688	36.1
196.16994	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	195.138
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
51.80727	1.9
53.03936	4.0
53.07630	2.1
55.01862	3.4
55.05510	13.4
57.03434	3.9
67.05502	58.3
67.95882	2.1
69.07067	12.4
69.95365	10.6
71.01341	5.3
71.04989	5.6
72.80785	2.1
79.05491	39.3
81.03417	9.3
81.07056	100.0
82.07409	2.5
83.04980	16.8
83.08610	7.7
85.06539	3.4
91.05482	27.1
93.07043	62.5
95.04975	16.1
95.08610	45.5
97.06530	14.9
101.06004	2.5
103.05481	2.0
105.07023	12.5
107.04939	8.4
107.08583	26.7
109.02894	4.3
109.06491	5.3
109.10168	4.4
110.67065	1.8
111.08054	10.8
117.07004	15.3
119.08548	2.3
121.06489	8.9
121.10147	9.6
123.04449	2.0
127.03939	2.0
130.24307	2.0
131.08572	11.1
133.10120	20.0
135.04395	3.0
135.08093	5.7
135.11673	32.8
143.13203	2.0
149.05951	2.4
149.09610	1.9
149.13264	23.5
151.03966	2.2
151.11169	2.3
159.11679	21.8
177.05479	5.3
177.12744	19.0
195.06383	2.6
195.13783	20.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1378
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
51.02369	2.0
53.03937	11.7
55.01873	8.7
55.05505	17.0
57.03415	5.3
57.07060	6.1
59.05003	1.9
65.03923	6.1
67.05498	60.2
68.83592	1.7
69.03420	6.9
69.07066	14.4
71.01342	6.2
71.04987	8.8
72.59208	1.8
72.93778	2.0
73.02904	3.3
79.05013	2.7
79.05488	70.7
81.03415	22.8
81.07050	100.0
83.01324	1.7
83.04964	20.2
83.08588	7.5
85.06519	5.6
88.76871	1.7
89.03895	4.5
89.06007	6.6
91.05480	40.7
93.03422	1.9
93.07035	76.1
95.01356	2.3
95.04966	76.3
95.08608	45.0
97.02876	7.3
97.06532	18.9
99.08058	3.5
103.05485	11.8
105.03378	2.2
105.04498	4.9
105.07014	16.6
107.04951	41.2
107.08595	26.4
109.02871	30.2
109.06509	10.0
109.10149	4.1
111.04442	4.0
111.08044	8.7
113.06048	1.7
115.05416	2.0
115.79243	2.2
117.03360	8.1
117.07001	12.4
119.08561	3.1
121.02843	2.3
121.06495	17.5
121.10099	11.7
123.04430	10.4
123.08031	3.1
125.02340	7.7
125.05961	7.5
125.08724	1.9
127.03867	6.1
131.04898	4.1
131.08551	14.9
131.96107	4.0
132.23166	1.8
133.10100	15.4
134.03593	2.1
135.04399	13.5
135.08015	7.1
135.11684	31.8
138.06619	2.7
139.07507	2.7
139.11188	5.1
144.09326	2.4
145.02805	10.4
146.05971	6.9
148.97302	2.7
149.02286	3.0
149.05991	21.6
149.09589	4.3
149.13251	18.3
149.97206	8.3
151.03885	18.5
151.11168	3.3
153.05464	11.9
154.97821	2.0
159.04359	3.3
159.11705	17.3
163.03908	9.5
163.07494	3.2
164.07140	3.7
165.06995	5.0
167.03392	7.1
167.07019	5.2
167.08539	2.7
172.98752	4.3
177.01793	1.8
177.05461	29.8
177.09091	3.3
177.12741	14.0
178.08655	11.7
180.09334	4.0
195.02852	7.1
195.06586	11.1
195.08194	4.9
195.10193	4.5
195.11725	7.9
195.13792	17.8
195.15602	4.3
195.17416	3.9
196.09671	19.8
196.17024	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1015
Annotation	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
51.02376	1.0
51.79768	0.6
53.00312	1.0
53.03948	5.4
55.01875	4.3
55.05517	1.1
65.03937	2.0
67.05508	5.1
69.03432	2.3
69.07066	1.6
70.62071	0.6
71.01356	1.4
71.04980	1.9
71.07301	1.2
71.07640	0.8
73.02913	0.8
77.03927	1.7
78.04710	0.7
79.05487	29.0
81.03423	4.9
81.07055	4.4
82.75656	0.6
83.01338	1.0
83.04961	3.2
89.03922	1.0
91.05472	14.0
91.13608	0.6
93.03321	0.6
93.07032	8.1
95.01329	1.7
95.04960	31.7
95.08580	1.3
97.02885	3.9
97.03986	0.6
97.06512	4.6
103.05460	16.5
105.04524	2.6
105.07022	12.2
107.04948	100.0
107.08578	3.2
108.05260	1.1
109.02872	30.6
109.06512	4.2
111.04431	3.7
115.05434	7.0
117.03414	1.8
117.06991	3.7
118.06547	0.6
119.04916	2.1
120.05724	2.4
121.02875	1.2
121.06490	10.7
121.10126	1.3
123.04424	8.2
124.05251	1.5
125.02357	3.8
125.05984	6.5
127.03893	3.1
131.04916	4.5
133.02832	2.1
133.06479	2.0
135.04413	9.7
135.07005	1.3
135.08041	21.9
135.11588	0.6
137.06006	2.2
139.03899	2.9
139.07555	1.1
145.02792	3.5
145.06461	0.7
145.07570	1.4
146.05974	1.7
147.04404	2.2
148.05074	0.8
149.02350	0.7
149.05960	16.1
150.06425	0.7
151.03889	13.6
151.07516	1.0
152.04584	1.0
153.05469	8.3
154.06247	5.0
159.04388	2.1
160.25784	0.6
163.03911	3.4
163.07547	30.8
165.05457	2.3
167.03363	1.9
167.07030	31.4
171.98885	0.6
177.05464	12.4
178.08638	2.0
180.07799	7.9
195.02940	1.2
195.06534	6.5
195.08533	0.9
195.10155	24.5
196.09573	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	195.0652
Annotation	Enalin A
Peak:m/z	Relative Intensity
51.02369	0.9
53.03947	8.5
55.01875	3.1
55.05490	1.1
55.67368	0.6
59.37633	0.5
61.89126	0.6
65.03937	2.0
67.05500	8.0
69.03431	4.4
69.07058	0.7
69.84859	3.5
71.01364	4.0
71.04992	1.7
73.02916	2.5
73.24841	0.7
77.03935	2.2
78.36870	0.6
79.05495	32.3
81.03423	4.8
81.07052	4.4
83.01347	1.5
83.04973	1.7
89.03929	1.2
91.05476	11.3
93.07047	10.4
95.01324	1.1
95.04966	100.0
96.05282	1.0
97.02882	11.0
97.06512	4.2
103.05470	14.3
105.03378	1.7
105.04510	3.8
105.07037	3.2
107.04956	40.3
107.08578	1.9
109.02879	45.1
109.06528	4.0
111.04401	0.7
117.03426	1.2
117.07075	0.7
118.06514	0.8
119.04933	0.8
121.02880	0.8
121.06501	15.5
121.07389	0.8
123.04426	15.1
123.08076	0.6
125.02358	9.7
125.05996	9.0
127.03914	6.5
128.80287	0.6
131.04932	7.3
133.02843	3.2
135.04416	11.1
135.08034	3.0
135.11664	0.8
139.07567	1.2
145.02872	2.4
146.06012	1.5
149.02354	1.5
149.05984	15.3
149.09642	1.3
151.03903	28.1
151.07558	2.0
153.05470	11.2
159.04413	6.3
163.03908	1.9
163.07584	1.0
165.05484	2.1
167.03404	4.7
167.07094	2.4
177.05457	12.7
177.06879	1.0
177.09044	0.8
178.08636	1.8
195.01010	0.7
195.06544	8.1
195.08202	1.4
195.10191	2.7
196.09718	3.8
198.54507	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0652
Annotation	Enalin A
Peak:m/z	Relative Intensity
50.01577	0.4
51.02370	0.6
53.03945	8.8
53.72107	0.4
55.01884	2.5
55.05511	0.4
55.47176	0.4
65.03941	1.8
67.05506	5.5
69.03430	3.9
69.69252	2.6
71.01353	5.0
71.04993	0.8
72.21282	0.4
73.02917	1.9
77.03901	2.6
79.05493	24.2
81.03421	3.7
81.07053	2.8
83.01325	0.4
83.04967	1.2
91.05486	7.6
93.03414	0.6
93.07043	7.2
95.01293	0.8
95.04966	100.0
96.05327	0.4
97.02889	10.4
97.06531	1.8
103.01300	0.5
103.05468	15.9
105.03409	2.1
105.04500	3.0
105.07025	1.5
107.04953	34.7
109.02879	27.3
109.06532	1.5
119.04964	0.9
121.02850	1.0
121.06497	11.9
123.04427	16.4
125.02346	8.5
125.05998	4.9
127.03904	7.4
131.04930	7.3
133.02818	2.0
135.04404	6.5
135.08142	0.5
139.03885	0.5
139.07571	0.7
147.04440	0.6
148.39214	0.4
149.02325	0.9
149.05980	11.5
149.07147	0.9
151.03902	30.2
153.05447	6.0
159.04428	5.6
159.05623	0.5
167.03398	3.4
167.07007	0.7
177.05464	6.8
195.06540	6.0
212.29947	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0651
Annotation	Enalin A
Peak:m/z	Relative Intensity
51.02365	1.1
51.05828	0.5
53.03945	5.8
53.40824	0.4
55.01868	2.7
55.05505	1.1
65.03922	0.7
67.05505	3.5
69.03429	2.3
69.83688	2.5
71.01342	2.4
71.04975	0.6
73.02914	1.2
77.03929	1.5
79.05491	14.7
81.03416	3.9
81.07057	4.2
83.01308	0.5
83.04991	0.5
87.70849	0.5
91.05486	7.0
93.03387	0.5
93.07044	7.1
95.01311	0.8
95.04964	55.4
97.02885	4.5
97.06517	1.3
103.05464	11.1
105.03391	1.2
105.04504	2.3
105.07027	2.3
107.04956	30.1
109.02875	100.0
109.06522	1.8
119.04959	0.4
121.02851	0.5
121.06497	10.8
123.04423	10.2
125.02336	6.8
125.05984	5.5
127.03938	4.3
131.04944	5.7
131.05908	0.9
133.02870	2.0
133.06450	0.5
135.04428	4.0
137.05916	0.5
147.04402	0.5
149.02345	0.7
149.05978	14.3
151.03900	28.3
153.05479	5.8
159.04393	3.8
165.05545	1.0
167.03424	1.7
167.07103	1.0
177.05463	15.1
195.06560	5.0
203.14131	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0651
Annotation	Enalin A
Peak:m/z	Relative Intensity
53.03951	11.3
55.01876	21.2
55.05490	2.4
65.03930	2.6
67.05510	15.4
69.03423	5.2
71.01355	7.1
71.03008	1.4
71.03382	3.1
73.02920	2.3
76.40576	1.4
77.03924	3.0
79.05496	81.4
79.54156	1.3
81.03424	26.2
81.06597	2.2
81.07053	29.4
83.01331	4.0
83.04994	6.9
91.05485	16.7
93.07056	14.4
95.01335	17.8
95.04974	100.0
96.55345	1.2
97.02900	10.8
97.06528	2.8
103.04813	2.2
103.05466	25.6
105.03392	6.6
105.04493	4.5
105.07008	4.7
107.04959	75.0
108.99744	1.3
109.02881	60.4
109.06520	15.6
119.04997	1.6
121.02915	1.4
121.06503	23.8
123.00751	1.8
123.04427	25.3
125.01537	1.8
125.02358	12.0
125.05995	7.4
127.03931	12.4
131.04941	13.2
133.02850	3.5
135.04419	13.0
144.49840	1.4
147.04471	1.7
149.05969	22.7
151.03909	52.6
153.05475	51.6
159.04410	7.9
167.06944	1.8
177.05479	16.8
195.06541	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	195.0652
Annotation	Enalin A
Peak:m/z	Relative Intensity
50.75769	1.2
51.02368	2.3
53.03944	16.1
55.01872	19.4
55.05503	1.3
60.01854	1.4
65.03933	4.6
67.05507	17.6
69.03415	5.3
70.29493	1.1
70.31628	1.1
71.01355	9.4
73.02901	2.7
77.03928	1.7
79.05495	95.2
81.03422	28.6
81.06603	1.6
81.07059	30.5
83.01324	2.1
83.04977	7.8
91.05489	16.9
93.07041	16.7
95.01330	22.8
95.04968	100.0
97.02901	10.4
97.06540	3.1
103.04803	2.2
103.05463	30.1
105.03381	5.3
105.04514	4.9
105.07014	5.7
107.04955	90.5
109.02879	62.6
109.06512	14.3
111.08053	1.3
119.04935	1.9
121.02907	1.3
121.06509	25.9
123.00765	1.8
123.03583	2.4
123.04426	31.4
124.79491	1.3
125.02354	16.5
125.05959	10.8
125.06617	1.0
127.03896	11.6
131.04918	13.6
133.02885	6.1
133.03735	1.3
133.06488	1.9
135.04413	17.0
135.08066	3.2
138.06609	4.6
141.01720	1.4
147.04361	1.8
149.05978	26.6
151.03903	58.5
153.05463	65.4
159.04417	9.9
163.03958	4.1
163.07491	3.2
167.03398	3.7
167.07004	4.1
173.39281	1.3
177.04100	1.7
177.05484	21.0
195.06517	16.6
195.08745	8.2
195.10294	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	193.1586
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
50.49656	2.5
53.03935	7.9
55.01854	2.9
55.05510	32.9
57.07069	5.9
57.49113	2.4
57.58363	2.2
65.03932	3.8
67.05502	33.0
67.75644	2.1
69.03423	19.9
69.07070	19.2
69.78457	14.0
71.04990	3.0
71.08591	2.8
79.05495	19.3
81.03400	8.4
81.07054	46.4
83.04987	17.8
83.08609	15.7
87.62897	2.2
91.05489	15.4
91.53275	2.0
93.07040	16.1
95.04966	56.2
95.08600	44.7
95.29572	2.2
97.02917	3.5
97.06527	4.8
97.10159	4.4
103.05441	4.9
105.07029	56.2
107.08586	31.6
109.06508	25.6
109.10152	100.0
111.08058	11.4
115.05441	9.0
119.07811	3.9
119.08584	47.3
121.06564	2.6
121.10129	35.1
122.07250	2.9
123.04395	12.0
123.08061	88.9
123.11700	14.8
125.09677	2.5
131.04927	4.0
131.08548	3.1
133.02820	2.7
133.06493	37.3
133.10121	26.4
135.11688	75.3
137.05949	5.2
137.09610	58.1
138.10394	23.5
139.11150	10.1
143.04929	2.7
143.05991	2.4
147.04373	7.1
147.11639	6.5
149.13272	11.9
151.03917	19.3
151.11180	6.9
151.14859	14.2
161.05988	35.6
165.09077	5.3
165.16357	3.5
175.03929	3.0
175.14807	47.3
178.02548	2.6
193.04950	11.8
193.08649	12.2
193.12207	3.5
193.15880	76.7
194.16388	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	193.1587
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03938	1.6
55.01870	1.2
55.05510	8.0
57.03434	0.9
57.07055	2.4
59.05005	1.4
65.03939	1.2
67.05192	0.9
67.05506	10.9
69.03457	0.8
69.07066	24.6
70.63733	1.0
70.64059	1.8
71.04994	14.2
79.05486	9.7
81.03401	2.6
81.06595	1.4
81.07052	22.1
83.04963	1.6
83.08630	4.0
85.06544	11.8
91.05473	11.5
93.07040	26.8
95.04962	35.2
95.08603	19.8
96.05214	0.8
97.06531	2.9
97.10168	8.3
99.08083	3.4
103.05430	2.3
105.07023	17.8
107.08588	32.7
109.06514	100.0
109.10150	14.6
110.06834	1.5
111.08083	5.5
111.11727	2.1
115.05421	1.4
119.04960	1.9
119.08568	27.1
121.10148	7.6
123.04409	1.5
123.08074	6.7
123.11701	19.0
131.08551	2.2
133.02821	1.5
133.06511	6.5
133.10115	24.5
135.11685	29.1
137.05969	2.3
137.09616	14.2
145.10040	0.9
147.04417	2.1
147.11667	4.4
149.13261	7.7
151.03963	0.8
151.11182	6.7
151.14838	1.4
161.05981	4.1
165.05478	1.7
169.99002	0.9
175.03903	1.6
175.11241	1.1
175.14810	33.4
176.15141	1.0
178.02626	2.0
178.08250	1.1
193.04965	10.2
193.08615	2.8
193.12250	3.8
193.15875	53.9
196.93579	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1587
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
50.23447	0.8
53.03945	4.0
55.01872	3.1
55.05508	6.8
57.03446	1.8
57.07069	4.3
59.04984	1.1
65.03926	3.9
66.04670	1.0
67.05506	15.4
69.03421	2.0
69.07069	10.9
69.32234	2.4
69.32629	8.1
71.04983	1.7
75.41906	0.8
79.05494	14.2
81.03424	11.4
81.07051	12.4
83.04977	2.2
83.08624	5.3
85.06515	1.9
91.05481	24.4
93.07054	12.2
94.04211	1.1
95.04967	16.6
95.08604	19.7
97.02892	2.0
97.06536	1.8
98.21603	1.3
99.08074	1.1
103.05466	6.5
105.03416	1.8
105.04464	1.2
105.07030	56.2
106.07362	1.7
107.04953	3.1
107.08593	13.0
109.06519	7.1
109.10159	21.9
111.04430	1.1
115.05460	7.4
117.07015	2.6
118.04156	6.5
119.04951	4.3
119.08582	66.2
120.08897	1.2
121.02890	1.9
121.06483	2.1
121.10145	6.4
123.04440	3.4
123.08054	3.9
123.11714	2.7
125.09692	1.1
129.06970	1.8
131.04939	1.9
131.08562	5.2
133.02872	3.5
133.06506	33.7
133.10127	77.8
134.10553	2.0
135.11699	20.5
137.05957	5.8
137.09615	7.3
143.06044	3.2
145.10095	5.6
146.11028	1.2
147.04398	6.5
147.08003	1.8
147.11690	21.1
148.12154	1.1
149.02339	7.7
149.03406	2.0
149.09602	1.1
149.13277	7.1
150.03134	1.4
151.03941	2.5
151.07564	1.5
151.11191	1.0
151.14845	3.8
157.10101	2.0
159.11710	1.6
160.12468	3.9
161.05975	27.3
162.06360	2.1
165.05492	4.4
165.06926	2.2
165.09134	2.8
173.13327	1.3
174.01086	1.0
175.03899	4.8
175.07692	1.6
175.11263	2.6
175.14824	100.0
176.03299	0.9
176.15158	4.8
178.02693	2.7
178.07732	1.0
193.04971	18.2
193.06754	2.1
193.08598	13.0
193.10342	1.4
193.12288	5.0
193.14203	1.9
193.15880	21.1
194.05455	1.4
194.15536	1.7
199.04155	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1224
Annotation	Ibufenac
Peak:m/z	Relative Intensity
51.02366	1.4
53.03938	7.6
55.01863	2.6
55.05505	7.5
59.04970	1.2
65.03947	2.7
65.16900	1.4
67.05508	29.3
69.07068	6.9
69.82158	8.0
71.04993	9.6
73.06524	1.4
77.03919	2.3
79.05493	59.2
81.03423	10.9
81.06591	2.0
81.07053	22.1
83.04981	7.3
83.08607	4.5
85.06533	4.7
91.05482	95.1
91.12043	1.2
93.07044	99.5
95.04967	23.9
95.08578	3.0
97.06533	1.5
98.21423	2.0
101.60715	1.1
104.39296	1.2
105.04536	2.9
105.07033	49.0
107.04932	3.0
107.08574	4.7
109.06506	6.2
113.05949	2.1
115.05453	4.7
117.07025	2.0
119.04936	1.6
119.08582	18.4
121.10204	1.2
129.07013	16.2
131.08565	22.8
133.06494	7.8
133.10127	100.0
134.10463	2.1
142.07735	3.8
147.08058	6.0
147.11691	21.2
149.09589	2.7
157.10138	16.5
161.06009	5.9
175.11179	20.0
175.14864	1.1
193.04956	5.1
193.08577	2.8
193.12262	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1224
Annotation	Ibufenac
Peak:m/z	Relative Intensity
50.02506	1.4
53.03952	10.1
55.01870	3.6
55.05515	12.8
57.03435	3.0
57.07068	1.4
59.05013	2.1
60.34020	1.2
65.03932	2.7
67.05506	39.3
69.03440	1.6
69.07074	10.2
69.82164	8.4
71.05000	12.2
77.03924	2.6
79.05497	65.7
81.03416	25.7
81.07059	32.7
83.04970	8.5
83.08620	6.9
85.06537	2.5
86.93242	1.3
91.05488	99.7
93.07048	100.0
93.19858	1.2
94.04148	1.6
95.04969	31.0
95.08610	8.7
97.06513	2.6
103.05468	2.7
105.04499	1.9
105.07037	58.2
107.04929	7.8
107.08588	3.2
109.06528	7.5
109.10162	1.6
110.22758	1.6
110.95383	1.3
111.08134	2.1
113.06017	2.6
114.45238	1.6
115.05465	5.5
115.89991	1.3
117.06984	1.9
118.04181	1.6
119.04894	1.7
119.08582	25.9
121.10141	4.5
123.08070	2.3
127.07596	1.7
128.06273	1.6
129.06999	18.7
131.08585	28.1
133.02884	2.5
133.06508	14.5
133.10143	92.7
134.10498	2.2
135.08037	1.4
137.05923	1.5
137.09613	1.6
142.07765	7.1
145.10124	2.8
147.08046	7.0
147.11690	25.2
148.12068	1.4
149.09630	2.4
157.10141	22.0
161.05989	10.0
165.09059	2.0
175.03996	1.9
175.11191	24.1
175.14838	4.8
178.02654	4.3
193.05028	8.7
193.06822	2.2
193.08528	6.7
193.12251	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	193.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23447	0.8
53.03945	4.0
55.01872	3.1
55.05508	6.8
57.03446	1.8
57.07069	4.3
59.04984	1.1
65.03926	3.9
66.04670	1.0
67.05506	15.4
69.03421	2.0
69.07069	10.9
69.32234	2.4
69.32629	8.1
71.04983	1.7
75.41906	0.8
79.05494	14.2
81.03424	11.4
81.07051	12.4
83.04977	2.2
83.08624	5.3
85.06515	1.9
91.05481	24.4
93.07054	12.2
94.04211	1.1
95.04967	16.6
95.08604	19.7
97.02892	2.0
97.06536	1.8
98.21603	1.3
99.08074	1.1
103.05466	6.5
105.03416	1.8
105.04464	1.2
105.07030	56.2
106.07362	1.7
107.04953	3.1
107.08593	13.0
109.06519	7.1
109.10159	21.9
111.04430	1.1
115.05460	7.4
117.07015	2.6
118.04156	6.5
119.04951	4.3
119.08582	66.2
120.08897	1.2
121.02890	1.9
121.06483	2.1
121.10145	6.4
123.04440	3.4
123.08054	3.9
123.11714	2.7
125.09692	1.1
129.06970	1.8
131.04939	1.9
131.08562	5.2
133.02872	3.5
133.06506	33.7
133.10127	77.8
134.10553	2.0
135.11699	20.5
137.05957	5.8
137.09615	7.3
143.06044	3.2
145.10095	5.6
146.11028	1.2
147.04398	6.5
147.08003	1.8
147.11690	21.1
148.12154	1.1
149.02339	7.7
149.03406	2.0
149.09602	1.1
149.13277	7.1
150.03134	1.4
151.03941	2.5
151.07564	1.5
151.11191	1.0
151.14845	3.8
157.10101	2.0
159.11710	1.6
160.12468	3.9
161.05975	27.3
162.06360	2.1
165.05492	4.4
165.06926	2.2
165.09134	2.8
173.13327	1.3
174.01086	1.0
175.03899	4.8
175.07692	1.6
175.11263	2.6
175.14824	100.0
176.03299	0.9
176.15158	4.8
178.02693	2.7
178.07732	1.0
193.04971	18.2
193.06754	2.1
193.08598	13.0
193.10342	1.4
193.12288	5.0
193.14203	1.9
193.15880	21.1
194.05455	1.4
194.15536	1.7
199.04155	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1224
Annotation	7-Deoxonarchinol A
Peak:m/z	Relative Intensity
51.02372	0.8
53.03942	4.6
55.01873	4.8
55.05512	8.6
57.03436	3.1
57.07068	0.8
65.03936	2.7
66.04747	0.5
66.31603	0.3
67.05505	25.7
68.05833	0.8
69.03434	3.3
69.07066	3.2
69.23735	0.7
69.24137	3.5
71.01362	0.5
71.04983	1.9
77.03904	0.5
79.05495	22.8
81.03418	100.0
81.07054	13.1
82.03744	0.9
83.04990	4.2
83.08621	11.9
85.06529	0.5
87.82137	0.4
91.05479	25.2
93.07041	11.4
94.04184	0.4
95.04967	43.0
95.08597	3.6
97.02863	2.1
97.06525	0.9
97.10148	0.9
99.08114	0.5
103.05466	7.5
104.06270	0.9
105.03419	0.9
105.04523	0.9
105.07030	49.8
106.07334	0.8
107.04951	9.8
107.08589	4.6
109.06511	4.8
109.10137	1.8
111.04428	2.7
111.08079	2.7
113.06004	0.4
115.05461	9.2
116.06334	0.4
117.06989	1.9
118.04157	4.6
119.04951	2.7
119.08587	12.5
121.06514	2.9
121.10133	4.0
122.03611	0.7
123.04425	1.4
123.08083	1.7
123.11684	0.8
125.05962	0.4
128.06218	0.9
129.07008	9.2
131.04941	1.9
131.08551	7.1
132.05716	1.2
133.02867	1.6
133.06490	36.7
133.10121	8.2
134.06920	0.6
135.04456	0.4
135.08051	0.9
135.11702	1.6
137.05981	2.1
137.09610	1.8
138.71127	0.3
142.07787	3.3
143.04921	1.0
143.06053	3.0
145.10117	1.2
147.04411	2.4
147.08049	4.1
147.11681	6.9
149.05998	1.1
149.09625	4.2
150.03151	0.5
150.06746	0.5
151.03902	1.4
151.07545	0.5
151.11183	0.4
157.10127	5.5
160.05267	0.5
161.05978	30.5
162.06488	0.6
163.03923	0.4
165.05493	1.3
165.06960	0.5
165.09125	0.9
165.12762	1.2
175.03934	1.4
175.07625	0.8
175.09778	0.6
175.11197	7.7
175.14803	1.1
176.49236	0.4
178.02652	1.4
178.06276	0.6
180.14317	0.3
185.67661	0.4
193.03325	0.4
193.04971	8.3
193.08614	17.8
193.12231	9.9
193.15897	1.8
193.17624	0.4
194.09077	0.5
214.97586	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1223
Annotation	Ibufenac
Peak:m/z	Relative Intensity
51.02369	0.7
51.19499	0.6
53.03944	5.3
55.01867	6.2
55.05511	8.7
57.03433	2.1
57.07066	0.8
65.03927	4.3
67.05502	30.7
68.99761	0.7
69.03423	2.9
69.07072	4.0
71.01334	1.2
71.05004	4.0
71.49739	0.8
71.50115	0.7
77.03931	1.3
78.04722	0.6
79.05489	34.9
81.03414	76.9
81.06589	1.2
81.07050	17.7
83.04971	6.2
83.08614	9.5
90.04673	0.8
91.05478	43.6
92.05787	1.1
93.07040	21.9
95.04963	43.3
95.08607	4.6
97.02894	2.2
97.06503	3.4
97.10153	1.0
103.05465	14.1
104.06231	2.9
105.03414	1.0
105.04523	2.1
105.07026	100.0
106.06635	0.7
106.07368	1.8
107.04951	9.0
107.08580	4.2
107.90701	0.6
109.06499	6.7
109.10145	2.4
111.04442	1.8
111.08073	2.9
113.06012	0.9
115.05450	16.8
117.07012	2.4
118.04160	7.4
119.04963	5.8
119.07807	1.1
119.08582	13.5
120.05669	0.8
121.06499	3.7
121.10134	3.8
121.65498	0.6
122.03603	1.1
123.04417	5.1
123.08068	1.8
124.99975	0.6
125.05975	0.7
127.07585	0.7
129.06990	12.4
131.04962	3.0
131.08563	12.7
132.05693	2.6
133.02838	2.7
133.06488	67.1
133.10123	34.0
133.10934	0.6
134.06845	0.8
134.10452	0.6
135.04372	1.1
135.08028	1.4
135.11659	1.3
137.05977	3.0
137.09601	1.8
141.07016	0.7
142.07788	3.2
143.04926	1.5
143.06029	4.8
146.97473	1.1
147.04410	5.9
147.08044	4.0
147.11682	14.7
148.05157	0.6
149.05951	1.9
149.09607	10.6
150.03075	1.6
150.06729	1.8
151.03922	6.9
151.07472	0.7
151.11168	1.2
154.11130	0.6
157.10112	12.9
160.05179	1.4
161.05972	54.8
162.06354	1.8
165.05458	3.4
165.06857	1.3
165.09079	2.9
165.12735	1.3
175.03882	4.2
175.07542	0.8
175.11182	15.8
175.14790	1.3
178.02637	2.8
178.06224	1.6
193.04959	15.1
193.08591	46.6
193.12215	19.3
193.15775	1.4
194.09071	1.4
194.15512	1.0
196.20451	0.6
209.26599	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1224
Annotation	Ibufenac
Peak:m/z	Relative Intensity
53.03946	12.2
55.01868	5.3
55.05510	11.4
57.03440	37.9
64.65227	1.6
65.03928	5.4
67.05505	37.9
69.03390	2.1
69.07061	6.7
69.53397	1.6
71.04986	9.3
75.72942	1.5
77.03876	1.9
79.05497	61.0
81.03417	43.2
81.07053	27.3
83.04971	8.5
83.08586	7.9
85.06532	6.1
89.48344	1.4
91.05483	99.2
93.07046	82.5
95.04390	2.3
95.04972	38.8
95.08612	8.4
97.02885	1.9
97.06532	5.8
99.04430	2.3
99.08024	1.9
103.05450	11.6
105.04488	3.7
105.07033	87.3
107.04962	9.2
107.08598	9.2
109.06544	10.6
109.07166	1.6
109.10151	7.5
111.07996	1.9
113.05974	2.2
115.05449	9.3
117.07035	5.7
118.04159	3.6
119.04942	6.0
119.08582	57.3
121.06498	26.0
121.10139	5.3
123.04394	4.4
123.08099	2.9
123.11622	1.6
129.07007	18.0
131.04929	2.0
131.08574	23.9
133.02856	5.3
133.06508	34.0
133.10129	100.0
134.10370	2.4
135.08043	4.7
137.05952	4.6
137.09622	17.5
142.07790	7.8
143.06029	1.9
145.10094	3.9
147.04404	5.6
147.08069	12.2
147.11687	37.6
149.09605	3.6
151.07703	1.7
157.10139	22.2
160.08798	2.7
161.05975	25.6
165.05542	3.6
165.12691	2.4
175.03874	4.2
175.11177	39.9
175.14784	3.9
178.02596	6.6
193.04976	23.6
193.08676	12.7
193.10370	3.1
193.12245	41.7
193.15910	3.3
204.06363	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.086
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
52.96792	0.6
53.03934	2.0
55.01881	4.4
55.05510	0.9
67.05491	3.0
69.03420	0.8
69.07056	1.0
71.21527	1.5
77.87367	0.7
78.04718	0.8
79.05491	15.2
81.03421	10.2
81.07027	3.1
83.04977	1.3
83.08611	1.1
91.05482	9.6
93.07012	2.2
95.04967	9.2
95.08591	1.4
101.34632	0.6
103.04816	1.0
103.05465	14.6
104.06258	5.8
105.03390	1.2
105.07030	90.8
106.07389	1.7
107.04967	3.3
107.08578	1.4
109.06516	2.1
109.10213	0.8
111.04477	0.8
115.05453	18.9
118.04166	11.1
119.04922	2.2
119.08565	3.2
120.05726	0.6
121.10180	0.9
123.04379	0.7
123.08022	1.1
131.04941	3.6
131.08607	1.8
132.05719	6.3
133.06490	84.4
133.10138	3.7
134.06834	1.9
137.05962	1.9
137.36572	0.7
143.04958	1.7
143.06041	6.4
143.07037	1.1
147.04405	3.5
147.08076	0.9
147.11688	1.9
149.05978	2.8
150.03149	0.8
150.06706	1.5
151.03912	1.3
157.10089	0.7
160.05217	1.5
161.05981	72.1
162.06508	1.5
165.05498	1.6
165.09096	1.9
175.03870	2.4
175.11217	1.0
175.14778	1.2
178.02676	2.0
178.06256	3.4
193.05006	8.7
193.08603	100.0
193.12302	3.1
194.08931	2.9
194.22359	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.086
Annotation	Coumaryl acetate
Peak:m/z	Relative Intensity
51.02359	0.7
53.03939	3.2
54.45133	0.4
55.01870	5.6
55.05497	0.9
55.38210	0.5
58.96716	0.4
65.03932	1.3
67.05490	2.4
68.99798	0.5
69.07049	0.6
71.29961	0.7
77.03922	0.8
79.05491	21.9
81.03410	3.0
81.07046	2.8
83.01340	1.1
90.04693	0.7
91.05476	15.0
93.07037	14.4
94.04197	0.6
95.01274	0.4
95.04380	0.7
95.04966	9.0
95.08607	2.5
103.05460	14.8
104.06286	0.6
105.03380	1.1
105.04527	1.9
105.07024	100.0
106.07344	1.8
107.04961	1.9
107.08600	0.8
109.06505	1.4
109.10160	1.6
115.05448	18.8
117.07032	1.0
118.04169	2.8
119.04906	2.1
119.08606	2.5
121.06514	0.8
123.04438	0.7
123.08093	0.8
123.11686	0.8
126.53144	0.4
129.06999	0.7
131.03380	1.6
131.04955	2.5
131.08527	0.6
132.05707	1.4
133.06483	82.7
133.10097	2.0
134.06802	2.5
135.04486	0.8
135.11688	0.6
137.05969	1.8
137.09633	0.5
143.04921	1.8
143.06044	5.4
147.04385	2.0
147.08051	1.8
147.11702	0.7
150.06749	0.8
151.03903	1.2
161.05974	43.7
162.06316	1.3
165.05466	1.1
165.06891	0.7
165.09134	1.4
175.03894	0.8
175.07651	0.8
175.11192	0.7
175.14862	0.6
178.02599	1.2
178.06213	1.3
178.07809	1.8
179.07010	2.4
187.30490	0.5
193.04930	6.1
193.08586	12.9
193.10170	3.0
193.12224	1.3
193.15770	0.9
196.38101	0.4
198.44322	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.086
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
53.03946	2.5
55.01871	5.1
55.05512	3.0
57.03440	0.8
59.04990	0.8
59.97373	0.6
65.03939	2.4
66.04719	1.1
67.05511	3.5
69.03439	1.5
69.07059	1.8
69.28490	3.8
69.28912	2.4
71.04976	0.9
77.03933	0.8
79.05490	22.6
80.05836	0.7
81.03416	5.7
81.07045	4.9
83.04968	1.0
83.08635	0.8
85.06539	1.1
89.03876	0.7
90.04691	1.2
91.05473	17.7
92.06282	1.1
93.07043	2.6
94.04188	0.9
95.04958	11.9
95.08608	3.2
97.06506	1.0
102.04694	0.9
103.05461	20.2
104.06253	2.7
105.03399	1.1
105.07024	100.0
106.07365	1.7
106.45842	0.6
107.04948	6.1
107.08575	4.6
109.06512	5.4
109.10152	3.9
109.10818	0.6
111.04441	0.9
111.08056	0.8
115.05450	17.5
117.07022	1.6
118.04152	17.3
119.04956	4.8
119.08575	5.9
120.05742	2.8
121.06500	4.9
121.10112	1.7
122.03679	0.9
122.07265	3.4
123.04424	2.0
123.08055	2.2
123.11705	1.5
124.05213	1.5
129.07005	1.0
131.04897	4.7
131.08606	0.6
132.05725	2.9
133.02853	2.5
133.06482	90.3
133.10103	6.6
134.06937	2.4
135.04416	4.3
135.08051	3.2
135.11694	2.7
137.05963	6.9
137.09578	1.7
143.04968	1.5
143.06039	4.5
145.06526	0.6
146.03583	0.9
147.04407	6.3
147.08044	0.7
147.11699	2.8
148.05220	1.6
149.02336	1.6
149.05989	6.0
149.09648	1.0
149.13171	0.8
150.03125	0.8
150.06758	13.3
151.03880	2.2
151.07437	0.6
151.11183	1.4
157.10060	0.6
160.05173	1.1
161.05974	66.6
162.06316	2.3
163.03958	1.0
165.05481	2.0
165.06924	1.0
165.09119	12.0
175.03937	3.3
175.07489	0.9
175.11139	1.9
175.14842	4.4
178.02583	2.0
178.06221	2.8
193.04965	9.3
193.08594	38.0
193.12201	2.9
193.15880	6.7
194.08908	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55244	0.6
53.03949	1.4
55.05509	4.7
57.03441	1.0
57.07074	1.6
65.03939	0.8
67.05505	5.4
69.03046	0.8
69.03430	14.7
69.07074	6.6
69.91361	0.7
71.04985	1.0
79.05066	1.2
79.05491	10.2
81.03428	0.7
81.07051	9.3
81.73092	0.6
83.04983	3.6
83.08617	2.0
91.05479	9.4
93.07039	7.9
95.04966	2.6
95.08609	3.9
97.06542	0.8
100.53275	0.6
103.05473	6.9
105.07027	13.7
107.04958	6.1
107.08591	26.7
107.09319	1.3
109.06531	2.7
109.10161	8.8
115.05453	1.6
117.07007	2.2
118.07800	1.1
119.06137	0.8
119.08601	5.8
121.06524	3.3
121.10143	17.5
122.07292	2.3
123.08068	2.8
129.07025	1.4
130.07759	1.0
131.04944	3.9
131.08566	9.2
133.02832	0.8
133.10130	100.0
134.10455	1.5
135.08040	5.6
135.11711	2.5
137.09612	12.4
142.76350	0.7
143.08582	2.1
144.09384	1.5
145.10121	5.7
147.08069	0.9
147.11702	3.4
148.05161	0.8
149.09645	4.2
149.13240	13.8
158.09633	1.2
158.10861	5.9
159.04385	1.1
161.09627	1.5
163.03978	1.2
163.07536	1.2
163.14850	3.3
173.13263	17.8
176.04710	0.9
191.07007	2.3
191.14307	32.3
192.14682	1.3
214.41551	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.086
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
51.02376	0.6
53.03944	2.0
55.01873	4.5
55.05510	0.9
57.03429	0.6
57.07075	0.6
59.80497	0.4
65.03936	1.4
66.04707	1.0
67.05513	3.2
69.03423	0.7
69.07062	0.5
69.58517	1.1
69.58937	2.0
73.34672	0.4
78.04749	0.5
79.05495	13.8
81.03427	5.0
81.07050	2.5
83.04964	0.6
83.08590	0.6
90.04709	1.4
91.05483	9.0
91.82259	0.4
93.07039	3.0
95.04975	10.8
95.08591	1.1
97.02911	0.6
103.05466	15.8
104.06293	0.7
105.03424	1.0
105.07034	100.0
106.07363	2.2
107.04974	2.2
107.08576	1.3
109.02908	0.5
109.06521	1.3
109.10162	1.2
111.04443	0.6
114.82348	0.5
115.05460	21.9
116.05771	0.4
117.07032	1.1
118.04163	11.9
119.05003	2.3
119.08583	3.9
121.06504	1.0
121.10178	0.6
123.04445	1.9
124.03931	0.7
125.05972	0.5
131.04965	3.4
131.08546	1.0
132.05687	1.7
133.06494	83.5
133.10110	4.4
134.06836	2.4
135.04448	0.5
135.11659	1.2
137.05959	1.7
137.09599	0.5
143.04932	1.5
143.06056	6.4
147.04424	4.8
147.08054	0.7
147.11685	1.6
149.02342	1.6
149.06003	0.8
150.03117	0.5
150.06770	0.9
151.03912	2.8
151.11163	0.7
157.23882	0.4
161.05983	89.2
162.06313	2.1
163.03871	0.5
165.05489	1.1
165.09164	1.0
175.03925	1.6
175.07626	0.5
175.11220	1.3
175.14790	2.9
178.02675	1.2
178.06314	1.0
193.04980	4.6
193.08612	14.8
193.12283	1.6
193.15918	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.0
55.05523	4.3
57.03430	1.0
57.07079	1.0
67.05502	4.8
69.03422	15.6
69.07066	6.1
69.74894	4.8
79.05486	10.8
81.03405	0.8
81.07052	12.0
83.04978	4.7
83.05396	1.0
83.08607	1.2
90.58037	0.7
91.05485	8.8
93.07036	7.9
94.23514	0.7
95.04950	2.4
95.08595	4.8
97.74665	0.8
105.07031	12.4
107.04932	5.1
107.08586	28.7
109.06505	2.8
109.10152	10.7
109.85587	0.8
117.07024	2.2
118.07796	0.8
119.08598	5.2
121.06525	3.8
121.10143	20.3
122.07288	2.4
123.08110	1.7
129.07019	1.3
131.08565	8.7
133.10124	100.0
134.10432	1.2
135.08018	6.2
135.11681	4.2
137.09607	14.9
143.08527	2.9
144.09360	1.8
145.10083	3.6
147.11639	4.1
149.09624	3.5
149.13249	12.3
158.10922	6.3
163.14816	2.7
173.13266	19.5
176.11922	0.9
191.14313	29.8
191.16107	1.6
200.12125	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1429
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
52.69258	1.0
53.03923	1.9
55.05502	4.2
57.03431	2.1
57.07064	2.3
60.29309	0.8
64.53023	0.9
67.05497	3.7
68.86564	0.9
69.03429	14.3
69.07073	5.4
71.11646	1.0
71.11995	2.2
74.79295	1.1
79.05499	11.0
81.07047	8.6
83.04978	2.9
83.08634	1.5
85.06520	1.4
88.31176	0.9
91.05481	7.5
93.07044	6.8
95.04978	1.6
95.08593	4.3
97.06543	0.9
103.05469	1.0
105.07021	13.1
107.04946	6.9
107.08588	19.1
109.06526	1.8
109.10154	8.5
117.07040	1.5
119.08587	4.1
121.06481	2.8
121.10139	15.9
122.07278	1.3
123.08067	2.6
129.07076	1.1
131.08545	8.2
133.10123	100.0
134.10480	1.8
135.08034	5.0
135.11700	3.1
137.09607	12.7
143.08572	2.7
144.09314	1.1
145.10127	4.2
147.11653	3.5
148.08827	1.2
149.09624	2.9
149.13240	14.5
158.10892	4.8
163.14816	2.7
171.11789	1.2
173.13272	17.1
191.14311	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	191.1429
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
55.01867	0.8
55.05498	3.1
56.41661	0.7
57.07059	1.0
67.05498	2.1
69.03429	15.6
69.07057	6.1
71.03098	1.6
79.05498	3.6
81.07051	2.9
83.04983	13.8
83.08611	1.7
89.68917	0.8
91.05474	6.4
93.07040	5.1
95.04959	2.3
95.08601	3.7
97.06541	2.0
103.05460	6.8
105.07017	5.8
107.04936	1.9
107.07890	1.3
107.08590	19.9
109.06517	2.3
109.10157	1.6
111.08080	1.1
115.05478	0.9
117.07010	1.9
119.08556	5.0
121.06510	5.2
121.10136	10.9
123.08064	0.9
129.07013	1.3
131.04918	8.5
131.08554	8.7
132.05704	1.2
133.06496	1.2
133.10126	10.1
135.04427	0.8
135.08054	14.0
135.11661	1.6
136.08775	1.2
143.08519	2.4
145.10139	4.7
147.11679	5.7
148.05228	1.6
149.09625	5.4
149.13249	5.1
158.10893	5.5
159.04398	3.0
161.09593	4.9
163.07526	3.9
163.14807	0.9
171.56458	0.9
173.13287	13.8
176.04634	1.9
176.11977	2.0
191.07042	9.0
191.14302	100.0
192.14613	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	191.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.7
55.01863	1.8
55.05499	5.7
57.03409	3.1
57.07056	3.2
57.53726	1.6
59.04984	2.4
65.03925	2.1
67.05501	14.5
69.03420	12.0
69.07062	12.4
69.63333	10.5
71.04980	6.9
79.05477	19.7
81.07053	20.6
83.04978	4.6
83.08610	5.2
85.06528	6.8
91.05472	33.6
93.07044	21.5
95.04965	8.4
95.08596	18.0
95.50515	1.5
95.85929	1.6
97.06531	9.4
103.05475	17.5
105.07025	57.9
106.06589	2.5
107.04930	3.9
107.08585	37.9
109.06506	15.7
109.10157	24.6
111.08072	1.6
115.05439	3.4
116.06202	3.0
117.07011	13.7
118.04153	2.4
119.08571	30.0
121.06522	7.8
121.09327	2.8
121.10133	28.0
123.08036	13.7
123.11734	2.0
129.07004	6.4
130.07774	2.8
131.04929	15.1
131.08562	63.3
132.05711	1.7
133.02786	1.8
133.10121	100.0
135.08041	37.5
135.11668	6.9
143.08549	15.4
144.09322	6.6
145.06525	1.9
145.10112	34.1
147.08061	1.9
147.11696	29.4
148.05170	3.4
149.05916	1.7
149.09621	12.4
149.13252	19.9
150.10352	3.6
158.10901	25.8
159.04396	16.6
161.09628	3.7
163.07532	7.6
163.14841	4.6
171.11568	1.8
173.13257	87.6
176.04675	5.2
176.11897	1.8
185.71083	1.7
191.03435	3.7
191.07039	23.4
191.14299	94.4
192.14644	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	191.1429
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03934	4.0
55.01873	1.8
55.05512	6.9
57.03413	1.3
57.07063	3.1
58.47528	1.0
63.14164	1.0
65.03934	2.3
67.05499	8.2
69.03427	26.0
69.07069	27.5
71.04969	1.7
71.51031	1.4
77.03891	1.1
79.05493	34.4
81.03403	1.4
81.07066	12.8
83.04973	7.4
83.08605	2.9
83.40124	1.0
85.02885	2.2
85.06522	3.7
91.04909	1.7
91.05479	27.1
93.07042	14.2
95.04961	9.9
95.08606	15.1
97.06530	5.6
103.04803	1.8
103.05464	25.2
105.03393	5.0
105.04507	1.2
105.07028	22.5
107.04964	7.9
107.08592	31.4
109.02859	1.2
109.06519	8.6
109.10135	3.9
109.29703	0.8
111.08064	6.0
115.05470	5.8
116.06245	1.9
117.07003	10.8
118.04115	1.5
119.04889	1.1
119.08570	18.3
120.05777	1.2
121.06493	6.8
121.10136	21.4
123.04427	3.2
123.08071	7.6
128.06201	2.3
129.07018	5.6
130.04105	1.4
130.07770	2.9
131.04929	21.7
131.08563	27.2
132.05649	0.9
133.02795	1.9
133.10127	15.9
135.04440	7.9
135.08055	28.8
135.11678	8.3
137.09596	1.8
140.79381	1.0
143.07523	1.1
143.08582	10.5
144.09322	4.0
145.06416	3.2
145.10127	14.5
146.06009	1.3
147.04446	5.1
147.08022	2.0
147.11676	9.8
148.05165	2.5
148.08714	2.0
149.05984	1.4
149.09624	12.8
149.13263	9.5
150.10330	2.1
151.03903	18.2
155.04904	1.5
157.41466	1.2
158.10905	13.6
159.04424	6.1
159.07999	1.6
161.09567	2.3
163.03935	8.7
163.07567	7.1
163.11171	3.2
163.14806	4.2
173.05928	5.1
173.11771	1.9
173.13266	35.5
174.13573	1.3
176.04657	1.6
176.11966	2.8
177.05350	1.6
191.03398	7.8
191.05357	1.1
191.07037	10.8
191.08720	1.9
191.10635	4.5
191.14304	100.0
192.06584	1.7
192.10210	3.0
192.14659	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	189.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40272	1.1
55.01866	1.4
55.05493	4.9
57.03443	1.2
67.05487	4.2
68.73594	1.3
69.03431	14.6
69.07059	4.0
70.11269	1.1
70.89007	2.6
70.89355	1.3
77.03892	1.7
79.05504	7.2
80.28655	1.1
81.07076	7.8
83.04977	1.8
91.05474	22.1
93.07048	7.0
95.04941	3.2
95.08582	4.3
98.00729	1.1
103.05457	3.0
105.03396	2.0
105.06319	1.8
105.07031	37.5
107.04973	1.8
107.08578	7.6
109.06493	3.0
109.10114	1.4
115.05452	4.3
116.06201	2.3
117.07010	8.7
119.04923	5.2
119.08578	53.2
121.06503	4.2
121.10139	2.6
128.06181	11.1
129.06998	16.9
130.07759	2.9
131.04883	4.1
131.08563	37.2
133.06464	7.9
133.10120	19.4
135.08073	6.8
141.07002	5.9
142.07755	4.3
143.08585	13.3
144.05785	1.4
144.09253	1.8
145.06424	5.7
145.10126	15.0
146.07253	3.7
147.04443	2.3
147.08060	27.9
147.11682	37.6
148.08551	1.3
149.09604	1.5
155.08496	3.0
156.09335	38.7
157.06511	4.5
159.08069	11.1
159.11647	7.8
160.05161	1.6
160.08794	4.7
161.05989	13.6
161.09633	16.7
161.13254	20.4
171.11684	47.1
171.13177	2.6
174.06754	7.9
174.10408	14.9
189.05537	7.1
189.09149	20.5
189.12737	100.0
189.16306	6.7
190.08545	1.5
190.13086	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.0499
Annotation	2-Oxo-1,2-dihydroquinoline-4-carboxylate
Peak:m/z	Relative Intensity
54.95297	0.2
56.96571	0.3
65.03942	0.3
69.03448	0.2
70.49855	0.6
73.02917	0.2
79.05491	0.3
89.03910	1.3
91.05490	0.8
103.05434	0.2
107.04951	0.5
109.20348	0.2
116.04985	3.1
116.05793	0.1
125.01808	0.2
130.06599	0.2
134.05960	0.5
135.04382	0.3
144.04445	0.6
162.05504	100.0
163.03929	0.3
163.05855	2.1
164.05869	0.2
178.09975	0.2
190.04991	32.4
191.03551	0.2
191.05324	0.9
191.06982	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	4.6
59.89148	1.1
60.97445	1.1
66.03729	1.1
67.05484	4.9
69.03439	6.3
69.07053	3.6
69.27731	8.4
69.28149	3.3
79.05488	3.3
81.07040	4.4
83.04970	2.6
91.05480	11.7
91.16024	1.1
93.07034	5.8
95.04951	3.7
103.05457	2.0
105.07034	24.2
107.04938	1.6
107.08586	4.4
109.06513	1.5
116.06225	1.5
117.07011	3.9
119.04904	2.4
119.08581	39.3
120.06905	1.4
121.06506	4.9
121.10088	1.6
128.06203	4.7
129.07001	5.7
131.04932	2.1
131.08574	13.5
133.06474	4.2
133.10129	17.0
135.08070	5.8
141.06953	3.0
143.08583	6.0
145.06520	5.8
145.10167	5.6
146.07294	2.8
147.08037	21.4
147.11688	20.6
156.09348	18.7
157.06557	1.5
159.08057	18.7
159.11688	4.0
160.08835	8.2
161.05975	8.7
161.09622	16.5
161.13269	23.6
161.14552	0.9
171.11691	22.7
172.12132	1.1
173.09604	1.7
174.06847	2.2
174.10397	35.6
189.05441	2.4
189.09186	11.5
189.12746	100.0
190.13124	2.5
202.37373	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02148	0.3
53.03926	0.6
55.01868	1.1
55.05501	1.2
56.05036	0.6
56.96564	12.5
57.03428	2.0
57.07072	0.7
58.06588	0.5
60.04521	0.8
60.08154	0.6
61.02920	1.0
65.99820	0.3
67.05505	1.3
68.99792	0.5
69.03436	3.5
69.07075	1.7
70.02960	0.3
70.06561	1.1
70.06930	1.2
71.04989	0.7
71.95277	0.6
72.07889	0.2
72.08160	2.8
73.02911	2.5
73.06558	0.5
74.06077	0.8
74.97601	0.6
77.00845	0.4
79.05477	1.1
81.03416	1.5
81.07062	0.7
82.06565	0.4
83.01365	0.3
83.04972	0.8
84.04517	1.0
84.08141	3.2
84.96024	0.6
85.02905	4.2
85.06553	0.7
86.09705	100.0
87.04478	1.4
87.10030	0.8
88.07587	0.3
90.01536	0.8
91.05492	1.2
92.01323	0.4
93.07055	0.5
95.04980	0.7
95.08639	0.7
96.01573	0.3
97.02309	0.5
97.02893	5.3
97.03989	0.3
97.06554	0.4
98.01307	0.5
98.97572	7.2
99.04468	0.6
100.02412	0.3
100.99152	0.6
101.00834	0.5
101.02396	0.6
103.02438	0.7
105.03365	0.4
105.07037	1.9
107.04980	0.5
107.08578	0.3
109.02892	0.6
109.07626	0.5
110.01306	0.9
110.03126	0.4
110.97577	0.7
111.00874	0.5
112.99157	0.4
114.01507	0.3
114.05531	0.7
115.03958	0.7
115.05469	0.9
116.07107	0.4
116.98627	6.5
117.02160	0.3
117.07014	0.6
117.11053	0.3
119.00217	0.7
119.01875	3.4
119.08605	1.8
121.02749	0.3
124.02863	0.4
125.03620	0.3
127.00681	0.5
127.03931	0.7
128.02313	1.9
128.06236	0.7
128.98622	1.6
129.07021	0.9
130.02838	0.4
130.08641	1.1
131.00165	0.7
131.01880	0.3
131.08589	0.8
131.99693	0.9
132.02548	0.4
133.01688	0.3
133.06470	1.0
133.10147	1.3
134.99655	5.0
137.01216	0.5
137.02950	0.9
137.06000	0.5
138.02541	0.5
138.04396	0.3
139.53143	0.4
140.00266	0.4
141.06935	0.3
143.04880	0.4
143.08522	0.5
144.06577	0.4
144.10243	0.6
144.13922	0.4
145.01738	2.0
145.03413	0.6
145.10085	0.6
146.02309	0.4
146.99652	1.9
147.01433	0.5
147.03256	1.3
147.05037	1.0
147.08011	0.5
147.11670	0.5
147.99179	0.4
149.01225	0.5
150.00732	1.0
153.00740	0.5
154.03871	3.6
154.54079	0.8
155.04657	0.4
156.03476	0.4
156.09386	0.7
157.01440	0.4
157.06555	0.4
158.01292	0.4
158.99686	0.9
161.01244	1.0
161.04744	1.4
161.06027	0.9
161.09651	0.9
161.13300	0.4
162.05502	15.0
162.10292	0.4
163.02800	4.1
163.04417	2.9
164.97348	0.3
165.00777	0.8
165.04367	0.7
165.54680	0.7
166.00301	0.5
168.03590	0.7
168.05446	1.4
170.99593	0.4
171.04533	0.4
171.11670	1.1
173.04817	0.5
174.04405	0.3
174.10449	0.4
177.00650	1.6
177.04213	2.1
177.05989	2.2
178.04980	0.6
181.03816	0.5
183.05051	0.3
186.04488	0.5
187.02824	0.4
187.04352	0.4
188.55048	0.7
189.04065	0.6
189.05545	2.0
189.09015	1.9
189.11186	0.5
189.12611	2.7
189.16357	0.8
190.04994	5.2
190.06621	0.6
190.08571	0.5
191.02351	0.8
191.05974	0.7
203.03929	0.4
207.05568	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0909
Annotation	cis-2,3-Dihydro-2,3-dihydroxybiphenyl
Peak:m/z	Relative Intensity
55.05501	1.9
67.05494	1.0
69.07053	1.0
69.59165	5.2
79.05488	1.6
91.05477	21.4
93.07041	1.8
95.04964	1.0
95.08598	2.2
98.21434	1.6
103.05457	3.1
105.07025	17.3
107.04935	4.5
107.08597	1.4
115.05434	4.0
116.06250	3.9
117.07007	3.4
118.04156	1.5
119.04948	5.7
119.08554	7.3
121.06485	9.3
128.06216	17.7
129.07007	37.0
130.07745	3.0
131.04930	14.2
131.08562	8.8
132.05693	2.1
132.74828	0.9
133.02831	2.1
133.06453	2.6
133.10123	8.1
140.34732	0.8
143.08513	1.7
144.05673	3.1
145.06485	5.8
146.03625	1.7
146.07265	21.0
146.08429	1.0
147.08009	2.6
147.11661	3.6
148.05194	12.5
149.05930	1.2
149.09630	2.5
155.06020	2.5
156.05650	2.0
157.06479	11.2
158.07242	1.9
159.04407	2.4
159.08025	3.1
161.04013	1.2
161.05983	74.9
161.09604	83.4
162.06374	1.3
162.09998	2.1
171.08075	2.4
173.05978	1.3
174.06772	20.1
189.05464	3.1
189.09100	100.0
189.12704	2.3
189.16348	6.5
190.09381	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	189.091
Annotation	cis-2,3-Dihydro-2,3-dihydroxybiphenyl
Peak:m/z	Relative Intensity
52.63393	0.5
53.12079	0.6
55.05504	1.3
55.79837	0.6
63.17809	0.5
64.25477	0.6
65.03935	0.8
67.05495	1.2
69.03403	1.0
69.07069	0.8
69.26298	2.2
69.26725	4.5
74.37122	0.6
79.05490	2.3
81.07048	1.7
85.31882	0.7
86.09695	0.9
91.05476	19.8
91.85499	0.6
93.07032	1.4
95.04951	1.0
95.08613	1.1
103.05466	3.5
105.03368	0.9
105.07034	14.4
107.04942	4.7
107.08585	1.1
109.06468	0.7
111.29039	0.7
115.05460	4.6
116.06228	2.3
117.07021	3.1
118.04154	2.1
118.07805	1.6
119.04939	5.1
119.08582	5.8
121.06503	9.9
121.10159	0.8
128.06232	13.8
129.03381	1.0
129.07004	36.1
130.07751	2.4
131.04924	14.7
131.08553	10.3
132.05681	1.7
133.02864	1.2
133.06471	3.8
133.10115	5.9
141.06947	1.4
143.08521	2.6
144.05733	3.1
145.06506	6.7
145.10120	2.0
146.03619	2.9
146.07262	18.3
146.08420	0.9
146.10880	0.8
146.46423	0.6
147.04382	0.9
147.08073	3.4
147.11694	4.9
148.05185	11.6
149.02263	0.8
149.09654	1.4
155.06042	1.4
156.05650	0.7
156.09328	4.3
157.06493	14.2
158.07268	2.4
159.04364	2.3
159.08046	4.0
159.09128	0.7
159.11623	1.1
160.08835	2.2
161.05980	65.9
161.09610	75.3
161.13223	1.8
162.06358	1.5
162.09995	2.0
169.07335	0.7
171.08064	1.0
171.11699	4.5
173.05949	1.5
174.05254	1.2
174.06763	22.2
174.10393	2.4
189.05534	6.2
189.09102	100.0
189.12682	11.8
189.16441	2.0
190.06200	1.4
190.09372	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	187.148
Annotation	3,6-Dihydrochamazulene
Peak:m/z	Relative Intensity
53.03946	0.5
54.85801	0.3
55.05513	1.0
56.96564	0.7
57.07076	4.3
59.19054	0.3
65.03952	0.3
65.31554	0.3
67.05501	1.3
69.03444	0.7
69.07066	0.8
71.08646	0.5
71.51379	0.4
78.17438	0.3
79.05470	1.6
81.03409	1.2
81.07045	3.2
83.08617	0.7
84.04492	0.9
85.02913	0.7
88.02208	2.0
91.05464	4.3
93.07040	1.5
95.04951	0.4
95.08605	0.9
99.04304	0.3
103.05463	0.6
105.03394	0.8
105.07023	10.7
106.57416	0.3
107.08587	1.3
109.02909	0.4
115.05473	1.4
116.06280	0.5
117.07005	6.2
119.08569	8.6
126.05446	0.3
128.06187	2.7
128.07043	0.6
129.06989	4.4
130.06871	0.5
130.07779	6.8
131.04950	0.7
131.08566	9.5
133.10118	1.7
141.07025	1.8
142.07770	1.4
143.08548	9.3
144.05688	0.5
144.09363	2.8
145.06448	1.5
145.10112	100.0
146.10437	2.8
148.70805	0.3
153.06947	0.4
154.07738	2.0
157.10126	8.6
158.10918	4.5
159.04442	0.4
159.06918	0.7
159.08112	1.8
159.11682	14.0
160.12012	0.6
169.10121	4.8
170.08128	0.4
170.10846	0.9
172.08830	4.9
172.12465	8.0
173.00903	0.3
173.09441	0.4
185.13165	0.5
186.89803	0.4
187.03885	2.0
187.07561	2.8
187.11200	13.0
187.14801	51.1
188.07004	0.7
188.11501	0.5
188.15163	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	187.0752
Annotation	4,4'-Dihydroxybiphenyl
Peak:m/z	Relative Intensity
57.10020	0.3
57.45105	0.3
63.28970	0.3
66.29169	0.3
67.05503	0.3
69.60094	0.3
71.49690	0.4
74.06087	0.3
78.92096	0.3
79.05444	0.3
81.07068	0.6
84.04509	0.4
85.64178	0.3
88.02197	0.3
91.05462	1.4
95.08633	0.4
103.05451	1.3
105.07037	0.3
109.10153	0.6
115.05431	1.4
116.06246	1.3
128.06184	0.9
129.06976	1.6
131.04932	2.1
131.08591	1.8
134.83980	0.3
138.97845	0.3
141.06975	1.1
144.05696	45.1
145.06036	1.4
145.10178	0.7
149.93637	0.3
155.04883	0.5
157.06499	0.5
159.04443	0.7
159.08060	3.4
172.05188	40.8
173.05527	1.1
187.04123	2.3
187.07532	100.0
188.07918	3.5
204.53548	0.4
208.10771	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0753
Annotation	4,4'-Dihydroxybiphenyl
Peak:m/z	Relative Intensity
50.37204	0.4
52.70281	0.4
54.47204	0.4
67.05502	0.8
69.03421	0.9
70.21748	1.9
71.05006	0.5
72.13484	0.4
72.86214	0.4
81.03414	1.7
84.04512	1.0
85.02859	0.5
88.02215	1.0
89.50034	0.3
91.05479	13.4
91.06030	0.8
98.20861	0.5
103.05469	3.5
105.07039	1.3
105.22856	0.4
109.02919	0.5
115.05422	4.0
116.06235	13.9
117.07018	1.5
119.04941	0.5
119.08571	1.3
127.05461	1.6
128.06213	15.8
129.07002	19.4
130.07640	0.5
131.04924	7.3
131.08563	11.7
135.96262	0.4
141.07019	1.9
144.05701	30.7
144.09291	1.9
145.06508	4.6
145.10158	3.2
147.08012	1.9
148.26566	0.4
155.04897	1.7
155.06046	3.2
156.05682	8.9
156.06902	0.7
157.06403	1.3
157.07611	0.8
157.10114	0.8
158.07353	0.6
159.04417	1.4
159.08047	82.0
159.11642	3.8
160.08371	2.7
169.06503	0.5
169.10068	0.9
171.04393	0.8
172.03831	0.7
172.05193	7.9
172.08832	1.6
173.00844	0.7
187.04076	3.4
187.07533	100.0
187.11082	10.3
187.14717	2.9
188.08011	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	186.043
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24928	0.3
57.02254	0.5
69.87344	2.0
75.19213	0.4
84.29816	0.4
84.99593	1.0
100.02483	0.6
100.65725	0.4
101.00908	1.8
102.00980	1.1
102.02222	0.4
103.00632	20.9
103.01243	0.7
119.01924	7.4
120.01996	6.0
120.02928	0.5
120.03085	0.3
121.01659	100.0
121.02318	4.4
122.02008	0.9
122.61118	0.4
123.02067	0.7
126.02182	1.4
137.02940	2.4
138.03055	1.8
139.02682	34.2
142.03479	1.6
143.03650	0.9
144.03224	20.6
145.03595	0.6
160.04634	0.6
162.03049	0.6
162.04286	7.5
163.02698	5.4
163.03873	0.5
167.04671	0.4
180.00859	0.9
181.03725	9.3
185.05865	0.5
185.85587	0.5
186.04443	0.6
186.06123	0.5
199.04514	0.6
204.05319	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0754
Annotation	4,4'-Dihydroxybiphenyl
Peak:m/z	Relative Intensity
52.22029	0.2
55.01871	0.3
55.05518	0.3
55.73569	0.2
67.05508	1.0
69.03432	0.5
69.07074	0.4
69.25494	2.2
71.04991	1.0
72.08162	0.9
79.05475	0.3
79.63899	0.2
81.03423	3.5
81.06628	0.2
81.07036	1.0
83.04989	0.3
83.08643	0.3
84.04511	0.3
85.02924	0.3
85.06542	1.3
88.02220	0.5
91.05484	1.6
103.05467	0.3
105.07022	0.7
107.08590	0.4
109.02894	0.4
109.06496	0.4
109.10189	1.2
113.06036	1.1
115.05453	1.5
116.06243	1.4
117.07038	0.2
127.03944	0.5
127.05404	0.4
128.06224	0.9
129.07025	1.1
131.04906	0.7
131.08549	1.5
133.10088	1.1
136.63295	0.2
141.05482	2.3
141.07005	0.9
142.08650	0.4
143.05014	0.2
144.05707	42.4
145.06050	1.0
145.10114	0.9
151.11168	0.4
155.04893	0.7
155.06021	0.4
156.05704	0.4
157.06456	0.5
159.08072	3.7
159.11639	0.5
169.12256	0.2
172.05196	38.0
173.00790	0.3
173.05544	1.4
187.07545	100.0
188.07954	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	185.1171
Annotation	Ieodomycin D
Peak:m/z	Relative Intensity
53.03935	2.2
55.01861	1.1
55.05510	3.0
57.03434	6.3
57.07064	1.3
59.05012	0.9
65.03936	0.8
67.05499	10.7
67.25459	0.6
69.03417	1.5
69.07058	8.0
69.69268	3.6
71.04983	1.9
79.05487	27.5
80.05829	0.9
81.07049	100.0
82.07397	1.3
83.04978	1.8
83.08611	0.8
85.02928	0.6
85.06555	1.0
91.05468	4.4
93.07036	55.9
94.07374	0.7
95.04967	2.4
95.08601	19.2
97.02899	0.6
97.06517	5.7
97.10204	0.8
98.20845	0.7
103.05460	1.1
105.07026	5.6
107.04942	2.3
107.08578	10.0
107.09231	1.1
107.24129	0.6
107.31008	0.6
108.09029	0.8
109.06501	1.3
109.10148	13.0
111.04443	3.5
111.08067	1.3
111.11716	2.2
119.08602	1.2
121.06492	1.4
121.10133	60.4
122.10486	1.5
123.08065	1.0
123.11695	9.6
125.05986	12.6
125.06878	1.1
125.09637	0.8
128.06238	1.9
129.07001	2.5
131.08566	2.2
139.11176	21.4
142.07767	0.7
149.09605	8.0
151.03888	0.9
155.05995	0.8
157.06499	1.9
167.10660	31.6
168.11096	1.4
185.05818	1.5
185.11720	27.6
185.13158	1.3
195.03894	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1173
Annotation	Ieodomycin D
Peak:m/z	Relative Intensity
53.03940	1.5
55.01867	0.7
55.05511	3.6
57.03438	5.3
57.07065	1.1
59.04994	0.6
59.45457	0.3
65.03945	0.7
67.05504	9.7
69.03420	1.4
69.07068	6.9
70.55499	0.6
70.55901	0.8
71.04996	2.3
71.43068	0.3
73.02936	0.4
77.03918	0.5
79.05492	23.4
81.07055	100.0
82.07370	1.6
83.04996	1.6
83.08614	0.6
85.06540	0.8
87.04483	0.9
91.05478	5.1
93.07043	48.6
94.07378	0.8
95.04971	1.9
95.08607	20.4
95.64301	0.3
97.06535	5.6
97.10193	0.9
102.59229	0.3
105.04538	0.5
105.07034	4.7
106.07841	0.5
107.04961	1.3
107.08580	3.6
109.06490	0.9
109.10158	12.0
111.04459	1.1
111.08073	1.6
111.11713	1.0
114.05463	0.4
119.08595	0.7
120.63425	0.3
121.06579	1.7
121.10142	43.9
122.10455	1.0
123.08088	0.8
123.11709	10.1
124.12116	0.4
125.05991	11.1
125.09652	1.0
126.05526	0.5
128.06219	1.0
129.06990	1.3
131.08557	1.5
137.09634	0.8
139.07593	0.4
139.10110	0.8
139.11186	15.4
142.07788	0.6
143.08612	0.5
149.09608	4.1
155.10735	0.5
157.06468	0.6
157.10173	0.6
167.10675	8.5
170.10857	0.4
175.21165	0.3
185.04422	0.5
185.05946	1.0
185.11743	21.5
185.13208	1.3
186.12059	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.073
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05024	1.3
60.08165	18.1
70.06599	0.6
71.07374	11.5
71.52255	1.0
86.09705	100.0
87.10028	1.1
96.04449	0.6
96.05264	0.6
98.98466	18.4
101.95027	6.7
104.10755	3.3
105.03399	1.3
106.03724	1.2
110.06077	0.6
119.96081	4.2
124.04765	1.0
125.00004	81.1
137.97090	5.1
143.01027	1.3
155.98157	2.0
160.98703	1.0
166.02701	1.3
178.99800	1.3
184.07341	93.0
185.07655	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.073
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
56.05037	1.4
58.06612	0.8
60.08164	17.7
64.43678	0.3
65.62144	0.3
69.88420	1.5
70.06609	0.5
71.07372	11.1
86.09704	100.0
87.10046	1.2
98.20838	0.4
98.98464	18.8
101.95024	1.1
104.10735	4.1
116.99487	0.3
119.96098	0.7
124.99998	82.9
126.00356	0.3
137.97037	0.5
143.01031	1.4
166.02673	0.9
184.07335	84.7
185.07680	1.1
202.83615	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05033	0.4
56.96572	2.5
57.03439	0.5
67.05501	0.4
69.03417	0.8
70.35791	1.1
70.36134	0.3
73.02905	1.2
81.03446	0.4
82.95415	0.3
82.99848	1.5
83.06097	0.4
85.02887	1.1
88.88546	0.3
89.82588	0.3
97.02892	1.1
98.97585	1.8
100.02520	0.4
101.00879	22.5
102.00974	1.3
111.53022	0.4
115.02438	1.0
116.98634	1.0
117.04022	0.7
118.03531	1.0
119.01919	100.0
120.02001	5.0
120.05338	0.3
121.01627	0.7
121.02405	0.5
123.53158	0.3
124.02394	1.9
131.00128	0.4
131.01909	1.2
131.03615	0.3
132.01988	0.4
133.01645	0.6
133.03462	1.0
135.05075	0.4
137.02954	35.1
138.03087	1.3
140.02354	0.4
140.42996	0.4
142.03496	19.7
143.01895	1.6
143.03647	2.2
145.03525	0.5
157.03474	0.8
158.06693	0.4
160.04555	6.9
161.01138	0.5
161.01462	0.7
161.02969	12.1
161.04637	2.6
162.03075	0.8
163.02701	0.4
165.05132	0.6
173.03070	0.4
175.02750	0.3
175.04518	0.5
179.02499	0.4
179.04016	10.9
179.05598	1.0
180.04146	0.6
184.04538	2.3
184.12379	1.1
185.02986	1.0
202.05620	0.9
203.04048	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
59.26315	0.3
71.21093	0.3
71.29320	0.6
82.99846	1.7
92.32062	0.3
100.02514	0.3
101.00876	21.0
102.00958	0.6
119.01918	100.0
120.01999	5.0
124.02474	1.5
137.02953	35.0
138.03050	1.2
142.03496	23.1
143.01941	0.5
143.03639	1.6
160.04547	7.5
160.05803	0.5
161.02968	6.8
161.04814	1.4
162.03030	0.4
162.04279	0.3
163.05154	0.3
165.05083	0.7
177.01015	0.6
179.04004	11.7
179.05417	0.6
180.04131	0.6
184.04610	0.6
194.13916	0.3
202.05623	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45870	0.4
52.08439	0.5
53.03940	1.1
55.01874	3.0
56.96564	2.4
57.03439	8.5
57.07029	0.4
58.03773	0.8
58.99868	0.8
61.02922	6.2
69.03430	9.1
70.03761	1.5
70.05125	1.8
70.99867	0.6
71.04986	0.9
72.99612	0.6
73.02919	13.4
74.03241	1.1
77.44350	0.4
81.03414	3.8
81.52027	0.5
82.03744	0.8
82.99857	2.0
85.02904	11.8
86.03242	1.3
86.09719	0.6
87.04480	0.7
88.02725	0.7
88.52757	0.6
89.02531	0.6
91.03947	0.6
93.51958	0.9
94.01736	0.6
94.02699	0.5
94.52744	1.2
95.02545	0.6
97.01357	0.6
97.02330	0.6
97.02885	11.0
98.03217	1.9
98.97571	1.4
99.04459	1.5
100.02502	1.8
100.52808	0.6
101.00880	24.9
101.02500	1.4
102.00942	4.1
102.02311	1.7
102.52531	2.2
103.00650	4.0
103.02295	3.6
106.52750	0.6
108.52455	1.6
109.02869	1.9
110.03162	1.1
111.02949	1.0
111.53030	2.2
112.02795	2.0
113.00882	2.1
114.00967	1.7
115.00632	2.1
115.02429	3.2
115.53291	0.6
116.98671	0.6
117.02139	0.6
117.04011	1.2
118.03511	1.5
119.01921	100.0
120.01999	9.6
120.02930	0.6
120.03300	0.9
120.52546	0.5
121.01666	6.3
121.02405	0.7
121.03425	0.8
123.52997	1.9
124.02692	0.8
125.00005	0.8
127.03914	1.9
128.04230	0.6
129.03978	0.6
130.02797	1.0
131.01898	7.2
131.03572	0.7
132.01990	6.0
132.53535	1.6
133.01636	6.1
133.03366	2.5
134.03577	0.8
135.03188	0.8
135.04985	0.7
135.52991	1.0
137.02951	29.4
138.03050	2.3
138.53513	2.0
139.03340	1.8
142.03502	17.1
142.04631	0.8
142.96576	0.6
143.01923	5.3
143.03619	1.7
144.01997	4.6
145.01654	5.4
145.03448	2.1
146.03607	2.8
146.99597	1.1
147.01405	1.2
147.03197	2.2
147.54173	0.6
148.03839	1.0
149.02986	0.9
150.03046	0.9
151.02716	1.0
155.01837	2.3
155.02965	0.7
156.02023	5.5
156.03264	0.7
157.01607	4.0
157.03493	1.8
158.03667	1.9
159.03238	1.4
160.04597	5.0
161.02957	16.7
161.04404	0.9
162.03125	6.0
163.02675	5.4
163.04579	0.8
163.98853	0.5
168.02081	0.9
169.01569	0.8
172.05249	0.5
173.02957	5.6
174.03117	7.3
175.02682	5.5
175.04411	0.7
177.04204	0.8
179.02333	1.3
179.03995	10.1
179.05563	0.5
180.04160	0.6
184.04587	3.2
185.02960	2.5
185.04449	0.6
186.03119	4.3
187.02628	3.6
188.04665	0.6
189.04276	0.7
192.04099	0.7
202.05663	0.9
203.04048	1.9
204.04202	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47781	0.2
61.01150	5.6
68.05023	0.2
68.92678	0.2
69.03429	6.3
78.03463	0.2
80.05014	0.4
85.02364	0.2
87.41157	0.1
88.02213	100.0
89.02554	0.7
95.04955	0.3
96.04488	1.2
96.05292	0.6
97.02890	22.8
98.03223	0.5
114.03764	0.5
115.03931	0.2
115.05512	0.2
122.02389	0.7
122.96593	0.2
124.03952	20.7
129.07051	0.3
140.03432	1.9
156.04784	0.6
157.06505	0.2
184.04266	21.7
185.04558	0.7
197.87280	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.138
Annotation	Chrysanthemyl acetate
Peak:m/z	Relative Intensity
52.58108	1.4
53.03944	14.3
54.69506	1.6
55.01871	5.3
55.05515	14.0
56.96556	2.1
57.03431	4.0
57.07068	3.9
65.03937	3.7
67.05505	36.9
69.03442	2.2
69.07072	21.1
71.04990	15.3
77.03946	1.8
79.05489	20.6
81.03418	4.3
81.07056	100.0
83.04981	7.5
83.08621	8.1
85.02895	3.4
85.06542	14.5
86.09717	2.7
91.05487	17.5
93.07048	19.1
95.04969	69.0
95.08601	24.0
97.02899	2.2
97.06535	8.3
98.98465	22.0
99.04472	4.1
99.08084	5.4
101.95049	12.0
105.02729	3.1
105.03395	42.0
105.04517	4.3
105.07034	34.8
107.08603	17.7
109.06509	10.5
109.10168	6.1
110.89069	1.4
111.04437	2.2
111.08102	5.3
113.06050	1.5
113.09608	2.4
118.96732	2.0
119.08590	24.9
119.25931	1.6
119.96072	6.0
121.10139	29.9
123.04436	43.2
123.05342	2.3
123.08058	8.3
123.11704	50.1
125.02354	2.6
127.01591	3.7
127.07570	3.1
133.02855	5.6
137.05977	4.0
137.09605	4.8
137.13255	4.2
137.97136	6.8
140.04672	18.5
141.05449	1.6
141.06979	2.0
147.11688	57.1
147.66176	1.5
153.06969	3.0
155.04846	1.6
155.07025	10.4
155.08554	5.8
155.98175	4.5
160.04466	1.5
165.05475	3.6
165.09096	2.7
165.12770	27.4
168.09276	2.5
171.87312	1.5
183.06529	10.0
183.08096	8.4
183.09497	2.3
183.10181	1.8
183.11639	7.6
183.13820	4.7
184.07506	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	183.1016
Annotation	Dihydroconiferyl alcohol
Peak:m/z	Relative Intensity
51.02365	1.1
53.00311	0.7
53.03947	13.6
55.01867	6.3
55.05499	5.0
56.05019	0.9
56.96551	1.1
57.03431	2.1
59.05009	1.7
59.06114	2.5
65.03938	7.6
67.05503	40.1
67.28759	0.7
68.05046	0.7
69.03420	4.4
69.07062	3.0
70.06593	0.9
70.78555	0.9
70.78893	1.4
71.01350	0.7
71.04986	8.1
73.02906	0.7
77.03915	3.6
79.05492	30.5
81.03413	7.7
81.07052	13.0
83.04977	5.6
84.08141	0.8
84.97377	0.6
85.02883	0.9
85.06502	0.9
88.07325	0.6
91.05480	41.7
92.05799	1.2
93.03400	0.9
93.07040	34.8
95.04965	100.0
95.08604	12.4
96.05295	2.4
96.33586	0.7
97.02922	1.7
97.06524	3.3
97.07615	1.2
98.97582	0.8
98.98463	2.9
99.04469	1.7
103.05461	2.7
105.03394	10.9
105.04486	7.5
105.07031	12.7
107.04954	7.8
107.08578	6.7
109.02904	1.9
109.06516	21.8
109.07647	1.0
109.10149	9.3
110.09700	0.8
111.04433	11.2
111.08047	2.6
113.05999	2.3
115.05461	0.8
117.07029	3.9
119.01910	1.0
119.04933	2.4
119.08582	16.5
121.06503	4.9
121.10168	1.7
122.03616	1.1
123.04424	65.3
123.08047	7.8
124.04801	2.2
124.08692	1.0
125.00771	0.7
125.02362	4.6
125.06010	2.7
127.08721	0.7
129.07010	1.6
133.02867	1.8
133.06496	2.1
135.08051	3.2
137.05975	7.6
137.09618	11.8
139.03889	5.9
139.07498	1.0
140.04686	17.7
140.08131	0.8
141.05450	20.1
142.03539	0.7
147.04471	1.9
147.08046	4.1
151.03914	4.2
151.07544	16.2
153.09087	3.8
155.03426	1.9
155.07028	14.5
165.05489	8.3
165.09088	5.4
165.12773	0.8
168.09367	0.8
183.06532	27.7
183.08038	1.5
183.10139	8.7
184.06903	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1016
Annotation	Dihydroconiferyl alcohol
Peak:m/z	Relative Intensity
51.02377	1.5
53.03714	0.8
53.03945	10.7
55.01872	5.3
55.05513	3.0
56.96565	1.2
57.03428	2.8
59.04988	1.9
59.06117	1.4
65.03938	5.4
67.01836	0.5
67.05505	38.3
68.05817	0.7
68.99814	0.6
69.03419	1.3
69.07064	1.1
70.06593	0.9
70.18268	0.7
70.18661	1.2
71.04993	2.2
72.08121	0.5
73.02908	0.7
76.06287	0.5
77.03915	2.2
79.05493	23.6
81.03423	5.4
81.07054	57.0
82.07389	0.8
83.04980	3.0
83.06091	1.1
85.02917	0.6
91.05478	16.3
93.03425	0.8
93.07043	39.6
94.04158	0.8
94.07386	1.1
95.04967	100.0
95.07994	1.2
95.08603	24.4
96.05307	1.7
96.08898	0.5
97.02902	1.1
97.06512	1.1
97.07639	0.6
98.21472	0.5
98.98447	2.5
99.00793	0.8
99.04483	0.6
100.94068	0.6
103.05449	1.2
105.03407	7.1
105.04505	6.2
105.07019	8.4
107.04956	4.6
107.08592	7.5
109.02857	2.4
109.06519	18.5
109.07652	0.9
109.10149	22.5
110.06934	0.5
111.04433	2.0
111.08076	1.8
117.07035	2.7
119.04972	0.6
119.08581	26.0
121.04016	0.5
121.06490	2.5
121.10137	2.1
122.03587	0.7
123.04428	66.5
123.08067	10.6
124.04745	1.4
124.08562	0.8
125.02361	4.1
125.06004	1.3
125.09631	3.1
127.07606	0.7
131.01920	0.5
133.02815	0.9
133.06485	2.1
135.08081	1.4
137.05989	4.5
137.09618	11.5
139.03926	2.7
139.07555	1.5
140.04691	21.7
140.08174	0.7
141.05383	1.8
147.08063	3.1
151.03912	4.5
151.07536	15.6
152.07884	0.6
153.01802	0.7
153.05446	1.6
153.09064	3.7
155.07025	13.8
155.10637	2.0
161.56146	0.5
165.05481	10.8
165.07814	0.5
165.09065	3.2
166.09676	0.7
169.04974	1.0
175.95334	0.5
178.00984	0.5
183.06543	29.8
183.10175	15.8
183.11842	1.1
184.06891	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0652
Annotation	Methyl isovanillate
Peak:m/z	Relative Intensity
51.02378	1.1
53.03948	13.0
55.01868	3.4
65.03940	5.7
67.05504	9.4
70.13369	1.4
77.03924	1.9
79.05479	1.3
81.03432	2.3
81.99713	0.4
91.05495	0.6
93.07059	0.7
95.04967	100.0
95.08620	0.8
96.05302	1.5
97.02903	0.6
98.98463	1.0
105.03407	2.9
105.04514	6.3
109.06535	1.0
109.10145	0.6
111.04391	0.9
119.08552	0.6
121.04003	0.8
123.04427	79.9
124.04776	1.3
125.02351	4.6
125.07060	0.4
135.30066	0.4
137.05945	1.6
137.09622	1.0
139.03889	0.5
140.04683	31.1
155.07030	19.4
165.05582	0.5
165.09047	0.6
175.66855	0.4
183.06538	5.0
183.10095	1.2
184.76477	0.4
199.60390	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0652
Annotation	Methyl vanillate
Peak:m/z	Relative Intensity
51.02377	1.1
53.03950	14.1
55.01876	4.0
55.05513	1.0
59.04996	0.8
59.06124	1.4
65.03947	5.0
67.05505	12.7
68.05058	0.5
69.03426	1.2
69.07046	0.7
71.04990	1.9
77.03934	2.5
79.05481	3.0
80.05004	0.8
81.03417	6.1
81.07057	1.7
83.04988	1.0
91.05492	4.0
93.07047	2.2
94.04192	0.7
95.04969	100.0
95.08623	1.1
96.05306	1.3
97.02892	1.8
97.06509	1.1
98.98495	1.5
99.04468	0.6
105.03383	3.3
105.04501	5.6
105.07015	2.8
109.02869	2.0
109.06523	1.8
109.07663	0.8
109.10143	0.9
111.04447	7.4
116.98550	0.6
119.04913	0.6
119.08582	1.1
121.03973	0.6
122.03633	0.9
123.04430	71.4
123.08000	1.0
124.04793	2.0
125.02356	6.3
125.07063	0.9
133.06468	1.4
137.05975	6.5
137.09625	1.1
139.03917	2.4
140.04684	27.6
141.05467	18.4
147.04443	0.9
151.03932	2.0
155.03458	4.4
155.07030	17.2
164.63451	0.6
165.05486	1.0
165.09187	0.8
166.09798	0.6
175.79170	0.5
183.06546	5.8
183.10162	0.7
183.12450	0.7
194.01816	0.5
196.42648	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0653
Annotation	Methyl isovanillate
Peak:m/z	Relative Intensity
50.01606	0.4
51.02379	1.2
53.03950	13.1
55.01874	4.2
55.05494	0.7
59.06127	0.4
65.03941	5.1
67.05508	11.7
69.07072	0.7
69.30706	3.2
69.31129	1.5
71.04990	1.9
77.03929	1.5
79.05498	1.9
81.03417	2.4
81.07050	2.9
83.04944	0.6
85.06532	0.6
89.87968	0.4
91.05493	1.2
93.03407	0.9
93.07049	0.9
95.01361	0.6
95.04969	100.0
95.08616	3.4
96.05310	1.1
97.02882	1.3
97.06510	0.6
98.03648	0.6
98.20740	0.9
98.98479	3.0
99.04458	2.6
99.05556	0.5
105.03405	6.0
105.04500	6.2
105.07009	0.4
107.08610	1.4
109.06516	1.3
109.10162	2.6
110.03673	0.7
111.04443	1.6
113.06020	1.0
115.05441	0.9
117.37611	0.5
119.08585	0.8
121.04046	0.5
122.03606	0.6
122.98913	0.4
123.04432	78.7
123.11710	1.9
124.04784	1.7
125.02364	4.6
125.05957	2.2
125.09597	0.8
127.01567	0.5
128.06248	0.6
129.06996	0.6
133.02835	0.8
137.05975	1.0
137.09641	1.1
139.03911	2.2
140.04684	29.6
141.05060	0.6
141.06963	0.9
153.07033	2.1
155.07033	19.2
155.08536	5.8
156.07483	0.5
158.08228	0.5
165.05594	0.9
165.07018	4.8
165.09113	1.2
168.04266	0.7
168.05672	0.5
168.09348	0.9
183.04439	0.6
183.04730	0.6
183.06520	4.9
183.08072	6.6
183.10054	1.5
183.11736	1.3
183.13727	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0651
Annotation	4-hydroxy-3-methoxymandelaldehyde
Peak:m/z	Relative Intensity
51.02367	0.6
53.00299	0.4
53.03711	0.5
53.03946	6.0
55.01862	0.9
55.05504	0.4
58.73034	0.3
59.06128	0.4
65.03932	3.2
66.04726	0.6
67.05502	31.0
68.02636	1.5
68.05811	0.5
69.03415	0.5
69.07070	0.7
69.24421	3.6
77.03920	1.6
79.01859	2.0
79.05491	9.0
80.05811	0.3
81.03426	1.9
81.07047	2.0
83.04972	3.8
91.05463	1.6
92.16153	0.4
93.07041	0.8
94.04175	1.2
95.01369	0.4
95.04964	29.0
95.08601	0.4
99.00803	1.5
105.03405	4.9
105.04487	2.0
105.07042	0.4
107.04959	1.3
109.02882	1.1
109.06516	3.5
111.04448	3.0
122.03627	0.9
123.04423	31.2
123.08034	0.5
124.04787	0.4
125.05997	0.4
127.07501	0.5
131.03439	0.4
133.02856	2.9
133.06529	0.4
135.04414	0.7
137.05977	3.7
139.03886	5.0
140.04555	0.4
151.03891	11.3
153.01842	2.0
153.05458	1.3
155.07057	0.6
165.05469	28.8
166.05850	0.7
168.04173	1.1
169.04939	1.2
183.06522	100.0
184.06886	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	183.0652
Annotation	Jasminanhydride
Peak:m/z	Relative Intensity
51.02382	1.2
52.79017	0.4
53.03946	11.5
55.01876	5.2
55.05505	2.5
56.05006	0.5
56.96584	0.4
57.03442	3.3
59.05001	0.9
59.06118	1.6
64.47978	0.4
65.03941	5.9
67.01869	0.5
67.05505	35.8
67.94115	0.5
68.05047	0.4
68.99753	0.5
69.03427	1.9
69.07053	1.0
71.04989	3.9
71.50831	0.7
73.02901	0.9
77.03925	2.0
79.05492	15.4
81.03423	5.3
81.07057	60.0
82.07398	0.6
83.04972	1.3
85.02888	0.8
85.06558	0.6
91.05479	18.7
93.03391	0.9
93.07045	46.4
94.04229	0.5
94.07362	0.7
95.04967	100.0
95.08607	24.4
96.05312	1.7
96.08958	0.5
97.02901	1.8
97.06533	1.8
97.07627	0.4
98.98465	3.0
99.04476	0.7
99.05585	0.7
101.02366	0.4
102.22858	0.4
103.05449	0.6
105.03401	5.5
105.04494	6.6
105.07021	5.7
107.04928	1.1
107.08595	8.5
108.02084	0.4
109.02876	2.8
109.06520	5.4
109.07638	0.8
109.10154	23.8
110.03651	1.1
111.04439	1.8
111.08071	2.2
117.07019	1.9
119.08582	28.0
120.08936	0.5
121.04035	0.6
121.06478	1.4
121.10119	2.3
122.03640	0.7
123.04429	73.0
123.08055	11.6
124.04763	1.2
124.08708	0.7
125.02346	3.5
125.05985	0.8
125.07113	1.0
125.09621	2.6
127.07547	1.5
133.02872	1.1
133.06548	0.7
135.08041	1.4
137.06010	3.4
137.07964	0.7
137.09615	14.0
139.03908	0.6
139.07588	2.2
140.04684	28.7
141.05418	0.9
147.08064	3.0
151.03874	0.7
151.07526	4.4
153.09097	4.7
155.04936	0.9
155.07030	17.9
155.10654	1.5
165.05458	1.5
165.07571	1.0
165.09135	3.4
166.09756	0.6
183.02985	0.9
183.06586	7.3
183.08374	1.0
183.10172	19.2
183.11806	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0652
Annotation	Jasminanhydride
Peak:m/z	Relative Intensity
50.01608	0.5
51.02377	1.5
53.03943	10.3
55.01873	4.6
55.05504	1.5
57.03428	1.8
57.25839	0.5
57.60286	0.5
58.92930	0.5
59.04994	1.3
59.06117	1.6
62.32352	0.5
65.03933	6.9
66.04705	0.7
67.05501	30.4
69.03423	2.4
69.07049	2.1
71.04948	3.6
77.03927	2.3
79.01855	0.9
79.05490	18.3
81.03423	3.8
81.07053	37.4
83.04977	1.8
84.51664	0.5
85.02385	0.6
85.02895	9.9
91.05477	24.9
93.03394	1.9
93.07037	19.7
93.07628	0.6
94.04198	3.7
94.92325	0.5
95.01318	0.7
95.04964	100.0
95.08598	11.5
96.05288	1.6
97.02914	2.7
97.06519	4.2
98.98467	2.1
102.92923	0.6
103.05451	0.7
105.03398	4.9
105.04504	5.4
105.07038	6.6
107.04943	8.1
107.08590	3.0
109.02913	1.5
109.06513	57.3
109.10135	6.4
110.06830	1.0
111.04446	2.3
111.08056	1.0
113.02361	7.0
117.07054	0.7
119.04936	3.7
119.08568	9.3
120.46746	0.5
121.03968	0.7
121.06492	1.8
121.10142	0.7
123.04424	65.9
123.08045	7.8
124.04771	0.8
125.02379	4.2
125.07186	0.8
125.09584	0.8
133.06487	1.5
135.08032	0.8
137.05974	19.5
137.09575	4.0
139.03880	2.1
139.07498	1.6
140.04675	22.1
141.05472	1.3
147.08029	1.0
151.03903	4.2
151.07535	12.5
153.05527	2.6
153.09100	2.1
155.07022	13.9
155.10666	0.6
165.05490	10.6
165.09129	1.6
165.43138	0.8
169.04871	0.8
183.06534	26.5
183.08272	1.3
183.10124	8.5
203.47319	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.1539
Annotation	(+)-Myrioxazine B
Peak:m/z	Relative Intensity
53.03910	0.8
55.01855	1.0
55.05505	7.8
57.03410	1.1
57.07081	2.8
58.02958	35.1
58.23291	0.5
66.98572	0.5
67.05503	21.6
69.03403	0.6
69.07066	69.4
69.17149	2.8
69.17577	3.2
70.06593	3.3
70.07398	1.3
72.08127	0.8
74.06076	1.7
79.05494	7.2
81.07053	21.1
82.06562	0.6
83.04949	2.1
83.08616	8.1
84.08131	10.0
86.06055	2.0
89.88871	0.7
91.05472	4.9
91.34048	0.5
93.07037	11.3
93.94434	0.5
94.07388	0.8
95.04976	3.1
95.08606	8.0
96.08106	0.5
97.06516	4.8
98.06035	2.3
98.09686	2.4
98.97560	1.2
98.98448	0.8
100.07604	6.7
105.03375	0.7
105.07024	14.5
107.08588	18.7
108.08856	0.7
109.06496	2.3
109.10154	54.5
109.55627	0.5
110.10487	1.3
111.08045	0.6
112.07584	2.1
114.09162	13.5
116.98622	1.2
119.08573	1.8
120.95287	0.5
121.10135	2.2
123.04433	1.4
123.08019	1.1
123.11702	8.8
126.09160	13.1
126.12779	2.6
128.10764	0.9
133.10124	29.4
134.10507	1.0
135.11682	20.8
137.13223	0.7
138.12772	22.5
140.10693	0.9
140.14293	0.8
147.11667	4.9
151.11165	10.0
152.57912	0.5
153.12738	14.1
154.15871	2.2
164.14310	4.4
165.12752	2.6
178.62344	0.6
182.08197	1.4
182.15396	100.0
183.15794	3.6
192.19316	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0813
Annotation	D-Tyrosine
Peak:m/z	Relative Intensity
53.03941	0.8
54.04264	0.2
55.01869	0.5
55.05509	0.7
56.05028	0.6
56.96564	3.4
57.03432	0.6
58.06608	0.2
59.06112	0.6
60.04522	0.3
61.02931	0.6
65.03931	1.2
67.05505	1.7
68.05029	0.6
69.03436	0.8
69.04568	0.3
69.05359	0.3
69.07066	0.5
69.11095	0.2
69.63155	1.4
70.06585	0.9
70.29655	0.3
72.04513	0.4
73.02914	0.7
74.02435	1.3
74.97691	0.2
79.05484	1.3
80.05012	0.9
80.05828	0.3
81.03408	1.1
81.04523	0.4
81.07050	1.5
82.06590	0.3
83.06115	1.0
84.04513	0.7
84.08158	0.4
84.96030	0.6
85.02921	0.9
85.07672	0.4
86.06026	0.3
91.05482	35.3
92.05816	1.6
93.03399	0.4
93.07049	1.2
94.04207	0.2
94.06575	0.7
94.07366	1.2
95.04971	8.4
95.06083	0.8
95.08605	0.5
96.04504	0.2
96.06871	0.3
96.08125	0.2
97.02894	0.7
97.06516	0.3
97.07626	0.4
97.99146	0.3
98.03139	0.2
98.06042	0.6
98.97592	2.6
98.98469	0.6
99.04454	0.3
99.05595	0.3
99.97911	0.3
100.89568	0.3
101.00826	0.3
103.05463	1.3
104.05792	1.1
105.03388	2.3
105.04529	0.4
107.04945	1.2
107.06100	0.3
108.04479	0.6
108.05266	0.7
108.08137	1.5
108.08778	0.3
109.02933	0.3
109.06555	3.0
109.07650	1.0
110.06071	0.6
110.97530	0.3
111.04491	0.6
111.05509	0.3
111.09212	0.3
112.07595	0.3
116.98621	2.1
118.06534	3.1
119.01937	1.7
119.04939	35.0
120.05294	0.8
121.06504	0.9
122.06008	1.0
122.06924	1.3
123.04428	15.0
123.05463	0.6
124.07531	0.3
125.06051	0.3
125.07113	0.8
127.01608	0.2
127.03965	0.4
127.04981	0.2
128.98601	0.4
131.01859	0.4
133.02771	0.5
134.05939	0.3
134.99677	1.8
135.99930	0.4
136.07576	100.0
137.03020	0.3
137.06041	2.0
137.07007	0.5
137.07962	2.1
138.03386	0.3
139.03920	0.6
139.09784	0.3
140.04654	1.0
140.07124	0.4
140.08182	0.9
141.01830	0.4
141.05441	0.3
141.06563	0.4
142.03500	0.7
146.02278	0.2
146.05989	0.5
146.99619	0.5
147.04407	6.8
150.05473	1.1
150.06364	1.0
151.03862	0.4
153.00667	0.4
153.05428	0.5
154.08560	0.4
155.07028	1.0
158.99623	0.7
160.04581	1.4
161.01263	0.5
161.02834	0.2
164.04256	0.8
164.07024	2.2
164.08218	0.3
165.01820	0.4
165.05470	7.4
165.09036	0.4
166.98651	0.6
167.03386	0.3
173.02980	0.3
177.00662	1.5
177.04187	0.3
178.05688	0.3
182.00969	1.0
182.04475	0.8
182.05676	0.7
182.08063	5.8
182.11507	0.6
182.19084	0.5
183.02942	0.6
183.06445	0.9
183.07906	0.3
185.02824	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1223
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
53.03927	1.0
55.01870	1.6
55.05497	2.4
57.03422	1.0
57.06800	1.3
57.07073	22.3
58.80219	0.8
59.04977	3.0
67.05482	1.3
68.04977	0.9
69.03429	1.2
69.07059	3.8
70.06605	1.3
71.53620	0.9
71.53982	1.0
78.56385	0.8
79.05489	9.1
81.03413	6.2
81.07043	4.3
83.04978	44.1
91.05472	4.5
91.56886	0.9
93.07045	7.6
95.04964	13.3
97.06525	25.5
98.97567	2.9
99.05565	1.3
105.07046	4.9
107.04929	2.4
107.08586	9.2
116.98608	3.6
117.07012	2.9
119.08566	3.9
121.06470	2.7
121.10144	12.3
122.07121	0.9
123.08009	0.9
125.05985	68.0
126.06271	1.2
130.07814	1.4
134.99648	3.1
135.11649	4.5
138.10287	0.8
145.10120	10.1
153.00684	1.5
163.03911	0.7
163.11169	100.0
164.11568	2.5
181.12228	31.1
182.12531	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1222
Annotation	3-tert-Butyl-5-methylcatechol
Peak:m/z	Relative Intensity
53.03933	2.4
55.01861	3.4
55.05516	7.1
56.96306	1.3
56.96563	16.6
57.03429	1.6
57.07068	7.1
65.03930	1.8
67.05499	7.1
69.03413	1.6
69.07059	4.6
70.35411	3.8
71.04980	2.0
71.95254	4.1
79.05486	10.0
81.03410	3.7
81.07060	7.7
83.04975	13.6
83.08608	1.2
85.06503	1.3
89.03913	1.9
91.05077	0.8
91.05483	9.2
93.07044	20.9
94.12683	0.9
95.04965	9.7
95.08617	8.2
97.06531	15.7
98.97585	86.3
103.05450	1.6
105.07030	4.5
107.04968	5.1
107.08598	15.5
109.06514	2.1
109.10141	1.9
111.04441	6.1
111.08083	7.3
116.98619	100.0
117.07027	2.8
119.08585	3.3
121.02872	1.5
121.06488	5.1
121.10133	8.7
123.04386	1.8
123.08092	2.0
125.05992	54.7
125.09586	1.9
130.07829	1.1
134.99652	86.2
135.04399	3.4
135.08081	5.0
135.11690	15.6
137.05986	1.2
138.06755	4.9
139.03912	4.1
139.07472	2.0
139.99124	1.4
140.00177	8.8
145.02826	1.8
145.10121	9.4
149.02400	1.3
149.06004	2.8
150.84181	1.2
153.00705	18.0
153.12726	3.6
158.01253	20.3
163.03899	7.9
163.11191	28.5
166.07700	1.6
176.02316	2.8
176.99135	0.9
181.02705	2.1
181.05034	9.6
181.06390	2.1
181.12227	73.8
181.15831	4.5
181.62410	0.9
182.00861	1.2
182.12563	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1221
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
51.91536	0.4
53.03933	1.0
55.01867	1.3
55.05512	2.6
56.96547	1.1
57.07062	1.7
59.05001	4.0
62.25065	0.5
65.03918	0.6
67.05501	2.6
69.03413	1.6
69.07060	4.1
70.65547	1.9
73.02900	0.6
79.05480	6.7
81.07057	8.4
83.04977	1.3
87.04428	0.7
91.05455	4.0
93.07037	21.2
95.04951	1.1
95.08602	16.7
96.08968	0.7
97.06513	2.0
98.97575	4.7
105.07012	2.4
107.04955	1.4
107.08585	33.8
107.70430	0.5
108.08926	0.9
109.06487	0.9
109.10132	2.3
109.32197	0.6
111.04435	2.3
111.08054	1.8
116.98627	3.2
117.07029	0.9
119.08556	3.5
121.06503	6.2
121.10135	18.2
123.08059	4.1
125.05969	3.3
130.07761	1.0
134.99692	1.1
135.08064	1.1
135.11682	45.4
136.11983	1.3
137.09628	0.9
137.13268	1.3
139.07527	9.3
145.10110	13.2
153.12772	1.9
163.11166	31.0
164.11522	1.1
181.12221	100.0
182.12549	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	181.1223
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03940	2.0
55.01845	2.0
55.05511	26.5
56.96305	1.4
56.96567	19.5
57.03429	2.7
57.07078	13.7
59.04977	1.5
65.03957	1.3
67.05502	11.2
67.23282	1.0
67.87419	1.1
69.03420	3.2
69.07069	5.2
69.93916	1.1
71.05003	1.3
71.95263	3.9
79.05500	12.9
81.03401	2.2
81.07050	12.4
83.04987	25.3
83.08606	3.1
85.06532	3.8
88.51373	0.9
89.03899	1.5
89.11640	1.0
89.21286	1.0
91.05481	10.3
91.75998	1.0
93.06495	1.9
93.07047	24.4
95.04971	9.7
95.08602	13.8
97.06531	17.6
98.97585	87.0
103.05457	1.4
105.04588	1.2
105.07026	8.7
107.04943	4.2
107.08595	32.1
109.06528	6.8
109.10150	2.3
111.04444	58.3
111.08073	5.2
112.04795	1.5
113.05991	3.1
116.98621	100.0
117.03400	1.4
117.07008	4.2
117.98971	1.6
119.08591	2.5
121.06531	6.6
121.10144	11.2
122.07283	1.8
123.04444	1.3
123.08064	2.8
125.05994	50.3
127.07545	2.2
130.07787	3.5
134.99658	85.5
135.04442	5.1
135.08061	19.1
135.11694	18.3
136.07552	2.0
138.06783	1.5
139.03938	1.6
139.07552	3.0
140.00182	11.6
145.02826	1.3
145.10117	15.1
149.02362	1.6
149.05995	4.3
153.00720	17.6
153.12729	2.6
158.01270	16.8
163.03905	10.9
163.11180	39.3
164.11557	1.8
165.06937	1.1
167.03398	1.5
176.02328	3.8
181.02815	2.3
181.04976	2.4
181.08604	2.7
181.10147	2.0
181.12225	34.1
181.15874	2.1
182.08121	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	181.1223
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03944	10.7
55.01870	17.7
55.05511	26.7
56.96558	11.7
57.03435	4.4
57.07059	4.4
59.04995	1.3
65.03940	14.4
67.05503	34.3
69.03433	5.4
69.07066	17.7
69.37608	11.3
69.37906	1.1
71.01333	1.8
71.04987	4.9
71.95267	2.4
73.02913	4.1
75.04469	3.2
77.03937	3.5
78.04696	2.2
79.05492	57.2
81.03398	8.7
81.07052	35.5
82.04182	3.6
83.04985	21.8
83.08623	9.9
85.02904	4.9
89.03907	3.5
91.05479	61.5
92.05807	1.7
93.03413	12.7
93.07043	100.0
94.07355	2.6
95.04968	35.0
95.08605	67.3
97.02894	4.8
97.06525	16.3
98.97578	54.6
99.04450	4.4
99.08034	1.6
103.05470	25.4
105.04530	6.1
105.07040	14.4
106.04181	11.4
107.04957	23.6
107.08588	45.6
109.06519	6.9
109.10154	2.8
110.03698	1.5
111.04450	12.8
111.08073	7.0
115.05460	1.3
116.98616	65.2
117.03414	2.2
117.07019	12.6
119.04946	4.5
119.08584	14.8
121.02838	5.5
121.06504	68.3
121.10142	35.6
122.03584	1.6
122.06040	1.5
122.07080	1.3
123.00864	1.6
123.04449	3.6
123.08062	3.8
125.06000	20.7
127.03905	1.3
130.07770	3.5
131.04895	2.2
131.06027	1.1
133.10135	2.9
134.03627	5.1
134.99655	74.4
135.04396	9.9
135.08095	7.0
135.11688	52.4
136.05238	1.5
136.08743	1.2
136.12032	2.0
137.05952	11.0
138.03111	2.7
138.06746	4.5
139.03877	7.1
139.07541	6.8
139.11128	1.8
140.00180	6.1
140.08200	3.7
142.02684	1.3
143.08572	1.5
145.02840	3.4
145.10124	35.0
148.05174	3.3
149.02380	5.6
149.04823	2.7
149.05981	44.9
151.03899	2.6
151.07542	2.3
152.06148	2.2
152.08325	1.5
153.00742	14.3
153.05470	4.1
153.06981	3.0
153.09097	7.3
153.12764	1.7
158.01270	12.8
163.03906	16.0
163.07553	4.7
163.11179	71.8
164.07028	1.4
165.06998	1.9
166.06253	6.4
166.07655	2.1
167.03406	5.9
171.06584	2.9
176.02309	2.7
181.04962	34.8
181.06491	8.5
181.08614	29.2
181.10194	3.0
181.12207	33.6
181.15848	1.5
182.00888	1.5
182.05661	1.4
182.12561	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1222
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03938	4.0
55.01857	4.7
55.05511	19.3
55.62617	1.6
55.69663	1.5
55.87791	1.4
56.96566	14.7
57.03436	9.9
57.07076	7.4
58.02960	2.2
65.03934	4.1
67.05502	48.8
69.03451	3.0
69.07068	21.4
71.01344	12.3
71.04977	4.9
71.50514	2.2
71.95256	3.8
76.72163	1.4
77.74891	1.9
79.05491	55.2
81.03414	21.8
81.06600	2.4
81.07054	38.0
83.04503	2.6
83.04977	42.5
83.08601	6.6
85.02887	1.6
85.06535	3.4
91.05480	29.2
93.03397	3.0
93.07040	62.1
95.04960	13.7
95.08596	13.7
97.02899	1.8
97.06537	21.2
97.10164	3.5
98.88635	1.4
98.97577	100.0
99.04464	1.7
103.05466	2.4
105.04548	1.5
105.07021	9.7
107.04964	9.1
107.08588	32.3
109.06473	5.5
109.10147	8.7
111.04430	6.6
111.08121	3.1
116.98615	91.5
117.03355	1.4
117.07012	10.2
119.04974	1.5
119.08562	14.3
121.02851	6.2
121.06477	9.5
121.10136	28.9
123.77774	1.5
125.05981	15.1
126.09198	1.7
130.07777	2.2
133.10123	5.4
134.99651	83.3
135.04396	5.9
135.08052	4.0
135.11679	38.6
137.09613	3.9
138.12781	1.9
139.03886	9.1
140.00175	9.1
145.02879	1.8
145.10123	16.3
149.02394	1.9
149.06012	6.8
153.00710	12.7
153.12712	3.5
158.01247	13.4
163.03926	12.5
163.11168	30.9
164.11432	2.0
167.03372	2.5
176.02428	3.2
181.02777	2.1
181.03268	2.1
181.04950	17.7
181.06404	2.2
181.08537	4.0
181.10072	1.9
181.10483	2.2
181.12228	27.4
182.00954	2.3
182.08133	4.0
182.15402	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	181.0858
Annotation	Adriadysiolide
Peak:m/z	Relative Intensity
51.02344	1.2
52.20180	1.1
53.03941	12.7
55.01867	9.5
55.05487	2.5
56.96555	2.3
57.03429	1.5
58.10387	1.1
65.03934	24.3
67.05494	6.9
69.03403	1.5
71.04984	2.1
73.64293	1.0
75.04478	8.2
77.03923	2.3
78.04705	5.0
79.01859	1.5
79.05493	13.3
80.06264	1.1
81.03397	3.3
81.07043	5.7
82.04195	3.6
83.04955	4.6
85.02907	6.6
89.03890	2.9
91.05473	73.6
92.05786	1.6
92.06292	1.3
93.03403	19.4
93.07037	45.7
94.04192	1.6
94.07380	1.4
95.04377	2.0
95.04965	27.4
95.08559	2.0
97.02862	1.3
97.06525	7.5
98.20743	2.4
98.97573	18.4
103.05460	44.0
105.03387	2.2
105.04498	6.0
105.07025	3.0
106.04163	17.4
107.04953	7.6
107.08585	5.5
108.02072	3.5
108.05740	2.4
109.02857	1.1
109.06503	4.6
109.10182	1.2
110.03635	3.4
111.04430	6.9
111.08131	1.2
116.98615	16.7
117.03373	1.5
119.04926	11.2
119.08502	1.2
120.05702	1.5
121.02866	9.8
121.06496	100.0
121.10121	9.6
122.03638	1.6
122.07304	2.3
123.04431	5.3
123.08075	3.2
125.05984	7.1
131.04942	2.7
131.05998	2.6
133.02798	1.3
134.03630	9.8
134.99634	9.4
135.04460	3.7
135.08034	4.2
135.11719	1.6
136.05179	2.3
137.05971	31.4
138.03079	2.6
138.06693	4.9
139.03938	5.4
139.07541	4.4
140.08090	1.6
145.02919	1.1
145.10106	1.8
147.04390	1.2
148.05208	6.0
149.02351	11.1
149.05969	70.1
151.03899	4.3
151.07506	5.4
152.08299	2.2
153.00702	1.7
153.05461	2.2
153.07071	1.4
153.09074	16.8
158.01208	1.3
163.03937	7.0
163.07536	8.3
163.11159	7.0
165.06949	1.1
166.06281	8.9
166.07623	2.2
167.03377	9.7
171.06532	3.3
181.04958	37.5
181.06519	2.1
181.08583	42.3
181.10007	2.1
181.12140	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	181.0858
Annotation	Pestalopyrone
Peak:m/z	Relative Intensity
51.02387	0.5
53.03948	4.1
55.01871	2.5
55.05519	1.3
56.96560	0.7
57.03436	1.0
62.27280	0.4
62.56451	0.5
65.03941	3.4
67.05503	3.0
69.03426	1.4
69.07057	2.9
70.71319	0.3
70.85364	1.2
71.01329	0.6
71.95219	0.4
77.03944	1.1
79.01884	0.4
79.05495	10.1
80.05802	0.7
81.03420	2.8
81.04521	0.5
81.07054	4.4
82.06565	0.4
83.04996	2.5
85.02897	1.1
85.07649	0.4
89.03928	1.2
91.05482	20.8
93.03418	1.7
93.07042	22.2
94.07404	0.6
95.01329	1.4
95.04967	8.7
95.08589	1.3
97.02881	0.8
97.06514	1.6
98.97585	4.2
102.66517	0.4
103.05463	8.0
103.98988	0.4
105.03379	1.4
105.04516	1.8
105.07039	2.4
107.04955	8.6
107.08585	3.6
109.02882	0.9
109.06524	3.8
109.07612	0.4
109.10184	0.5
110.03655	0.5
111.04440	4.2
111.08102	0.6
113.02355	0.6
115.05492	0.5
116.98595	3.7
117.03383	1.1
117.07007	2.7
119.04949	1.1
119.08621	0.5
120.05717	1.4
121.02869	3.1
121.06503	13.1
121.10169	1.4
122.07144	0.9
123.04452	1.3
123.08066	0.7
125.02363	1.3
125.06007	1.3
125.09646	0.5
127.03931	3.1
131.04939	0.9
133.02867	0.4
133.06516	0.6
134.03662	0.4
134.99698	2.2
135.04407	4.7
135.08055	5.4
135.11743	0.6
136.08678	0.5
137.05975	3.3
139.03893	4.3
139.07518	0.6
140.08211	0.6
145.02835	1.7
147.04378	3.1
149.05978	100.0
150.06303	2.1
151.03902	3.7
151.07555	0.9
153.04359	0.6
153.05478	6.8
153.09102	0.7
163.03909	8.0
163.07582	2.3
163.11192	1.3
164.08209	0.6
165.05457	3.2
166.06273	5.4
167.03397	1.7
167.07014	1.4
179.07117	0.5
181.05017	9.3
181.08591	30.8
181.12251	1.6
182.09053	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0495
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
53.00313	0.3
53.03938	1.1
55.01867	0.7
55.05509	0.8
56.05031	1.0
56.96561	1.6
57.07067	0.4
59.06122	0.8
61.77610	0.3
63.02383	0.4
65.03940	2.3
67.05498	1.9
68.05034	1.0
69.03416	0.8
69.07072	0.5
70.06602	0.4
71.04995	0.4
71.50692	0.4
72.04481	0.4
74.06067	0.4
79.05492	6.1
81.03415	1.2
81.04530	0.7
81.07057	1.2
82.05321	0.4
82.06592	0.4
83.04973	0.8
83.06092	1.5
83.08662	0.3
84.48060	0.3
85.02911	0.5
88.77332	0.3
89.03917	18.1
90.04227	0.4
91.05484	4.0
93.03410	1.9
93.07035	3.8
94.27695	0.3
95.04971	3.1
95.06081	1.1
95.08598	0.6
96.06888	0.3
97.02910	0.7
97.04035	0.3
97.06522	1.2
97.07655	0.7
98.07176	0.3
98.97589	5.4
99.04443	0.4
99.05586	0.3
101.07159	0.3
103.05454	1.4
105.04521	0.6
105.07044	1.2
107.04955	8.7
107.06055	0.5
107.08601	2.1
109.06525	0.8
109.07656	0.8
109.10153	0.3
111.04442	3.0
111.08010	0.8
115.05441	0.4
116.98617	4.5
117.03378	18.7
117.07005	0.6
118.03719	0.4
119.04958	0.7
119.08586	0.5
120.08118	0.4
121.02847	2.0
121.06523	2.6
121.08450	1.0
121.10144	1.1
122.07118	1.0
123.04458	0.7
123.05569	0.6
123.08031	0.4
124.08725	0.9
125.05996	1.3
125.07111	0.4
127.03890	0.8
131.04944	0.3
134.99670	4.5
135.04413	42.2
135.08032	2.1
135.11700	0.6
136.04778	0.9
136.07632	0.3
136.08710	0.9
137.05954	1.2
137.07018	0.4
138.03236	0.3
138.05481	0.3
138.06621	0.5
139.03920	2.3
139.07489	0.5
139.09784	0.4
140.00150	0.3
140.08138	0.8
145.02847	24.0
145.10109	0.4
146.03191	0.6
149.02299	1.4
149.05998	2.5
151.03824	0.4
153.00713	1.4
153.05428	0.8
153.06888	0.3
158.01259	0.6
158.99751	0.4
163.03900	100.0
163.07503	1.8
163.11160	1.1
164.04243	2.9
164.08208	0.6
166.06335	0.3
167.03418	2.1
177.00618	0.4
181.04938	2.6
181.06502	1.0
181.08588	2.9
181.10811	2.1
181.12250	0.9
182.00937	0.3
182.08089	0.6
186.05505	0.7
203.58372	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.9908
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14815	0.7
55.83598	0.6
56.82217	0.7
57.55159	0.7
70.02930	0.7
70.75195	1.5
70.75526	1.2
82.01416	3.0
83.04896	0.8
86.79391	0.7
88.51672	0.8
91.18909	0.7
92.26128	0.8
98.97559	1.9
100.02484	12.1
101.00872	0.8
101.02530	0.9
102.02193	0.8
113.00874	0.8
116.98566	1.3
118.03532	4.4
119.01898	3.5
119.03637	0.9
120.95383	1.5
125.51614	0.9
131.01872	2.4
134.02911	0.8
134.99713	1.2
138.96390	13.4
141.02318	2.3
141.36839	0.8
143.51709	3.8
151.99425	2.6
152.52112	0.9
153.51486	0.7
154.01263	2.2
156.01370	0.9
156.49384	1.2
156.97479	100.0
157.03474	2.4
157.97517	2.1
161.98018	3.1
166.51984	1.1
168.48238	1.1
174.98538	83.3
175.04526	1.2
175.98627	3.3
179.99088	67.4
180.99142	2.5
195.03795	1.3
198.00175	49.0
199.00278	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0495
Annotation	Aspirin
Peak:m/z	Relative Intensity
53.03935	1.3
55.01866	1.1
55.05502	1.4
56.05022	0.7
56.96563	12.1
57.03431	1.1
58.06600	0.5
59.06112	0.5
60.04530	0.3
65.03938	15.7
66.43728	0.4
67.05504	2.1
68.05027	1.4
69.03415	1.3
69.04562	0.4
69.07053	1.1
70.06584	1.0
70.98112	0.5
71.01348	0.6
71.04997	0.5
71.50143	0.8
71.95265	1.8
72.04498	0.6
73.02902	0.7
74.06077	0.4
74.97601	0.5
79.05488	6.0
80.05016	1.2
81.03418	2.2
81.04528	1.1
81.05331	0.6
81.07048	1.4
82.06572	0.5
83.04976	1.5
83.06086	2.0
83.08601	0.4
84.04511	0.6
85.02892	1.0
85.06554	0.4
85.07660	0.9
85.74564	0.4
89.03912	8.8
91.05479	14.6
93.03400	19.7
93.05787	0.4
93.07047	4.4
94.06564	0.6
95.04973	3.1
95.06106	1.4
95.08602	0.7
96.04506	0.4
96.06857	0.4
97.02883	1.8
97.03972	0.4
97.06524	1.5
97.07662	1.2
98.07132	0.7
98.97578	38.6
99.05559	1.3
101.00853	0.4
101.07164	0.5
103.05441	2.3
105.04482	0.5
105.07009	1.1
107.04954	8.0
107.06047	0.6
107.08604	2.9
108.08115	2.4
108.73795	0.4
109.02885	0.8
109.06519	1.2
109.07652	1.3
109.08451	4.0
110.03635	0.4
110.07160	0.6
111.04436	88.6
111.08005	0.9
112.04784	1.3
114.06673	0.5
116.98616	45.8
117.03374	11.4
117.07019	0.8
118.96697	0.4
119.01875	1.1
119.04933	5.7
119.08513	0.6
121.02839	1.1
121.06496	3.7
121.10140	1.7
122.03654	1.0
122.05988	0.6
122.07158	1.7
123.04426	1.1
123.05515	0.5
123.08055	0.8
124.08719	1.1
125.05975	2.0
125.07080	1.0
125.09596	0.5
128.02325	0.7
131.01877	0.8
131.04915	0.7
132.43497	0.4
134.01219	0.5
134.06061	0.9
134.99649	38.4
135.04413	22.4
135.05280	0.4
135.08037	2.6
135.11690	1.0
136.05057	0.9
136.07553	1.1
136.08612	0.9
137.02916	0.4
137.05978	11.7
137.06952	0.5
138.06551	0.9
139.03894	100.0
140.00174	2.5
140.04243	2.5
140.08171	1.1
143.00072	0.5
145.02837	11.5
145.10114	0.6
146.03223	0.5
149.01285	0.4
149.02318	1.3
149.05948	2.6
150.05508	2.8
151.03957	0.8
151.07536	1.8
153.00693	8.2
153.05481	1.4
153.06870	0.6
154.09729	0.9
158.01242	5.0
158.99632	0.9
163.03897	50.0
163.07533	1.0
163.11171	1.6
163.14812	0.4
164.04245	1.4
164.08197	1.4
167.03412	0.8
174.98560	1.2
175.98721	0.4
176.02332	0.6
176.04015	0.4
176.07681	0.5
177.00714	1.6
181.02708	0.4
181.04941	4.6
181.06480	1.2
181.08615	1.8
181.10568	14.9
181.12233	2.0
181.15862	0.5
182.08093	2.0
182.11711	0.8
195.04968	0.7
204.37514	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.143
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03945	4.9
55.01874	10.1
55.05513	29.0
56.05871	0.7
57.03432	3.5
57.07077	1.3
59.05007	0.9
65.03941	3.5
67.05505	100.0
68.05836	1.1
69.03430	1.0
69.07073	12.9
69.39780	3.8
69.40200	2.1
71.04982	2.0
77.03939	1.0
79.05495	66.8
81.03424	22.1
81.07058	90.0
82.07390	1.6
83.04984	33.7
83.08619	14.7
83.22438	0.8
85.06548	3.0
91.05482	53.8
92.05797	0.9
93.07044	41.1
94.07371	1.4
95.04967	12.9
95.08607	74.5
96.08940	1.8
97.06531	29.6
97.10140	3.2
99.08099	2.9
103.05460	0.9
105.04524	0.9
105.07035	28.4
107.08595	11.4
107.21545	0.7
109.06520	6.8
109.10149	10.6
111.08079	8.3
113.09650	8.5
117.07004	1.6
119.04935	4.4
119.08584	29.0
121.10142	6.4
123.04429	2.9
123.08063	3.6
131.08583	1.1
133.02811	1.3
133.06503	2.4
133.10129	18.9
134.10454	0.7
135.11696	7.5
137.09612	2.2
146.03568	0.7
147.04385	6.3
151.03961	1.1
151.07599	0.8
159.11690	1.9
161.05972	3.4
161.09654	0.7
161.13258	15.5
179.03406	5.9
179.07170	3.4
179.10713	1.4
179.14308	50.2
180.06546	0.9
180.14674	1.5
180.69453	0.6
186.13014	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.143
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03937	6.9
55.01872	15.2
55.05513	29.9
56.96557	1.9
57.03422	4.3
57.07064	2.4
65.03930	4.7
67.05505	99.5
68.05820	1.7
69.03425	2.3
69.07067	16.3
71.04983	3.5
71.51920	1.1
74.16170	1.1
77.03899	1.1
79.05492	66.1
81.03413	20.7
81.07054	100.0
82.07373	1.5
83.04976	34.6
83.08624	15.1
85.06526	2.4
91.05480	77.2
92.05820	1.3
93.07041	48.3
94.07368	1.2
95.04963	14.1
95.08604	77.2
96.08944	1.8
97.06528	35.0
97.10166	3.6
99.08080	4.6
103.05453	2.4
105.03388	1.9
105.07031	39.7
106.07371	1.6
107.04949	5.6
107.08595	16.0
109.02873	1.7
109.06512	8.1
109.10166	13.8
111.04447	3.2
111.08085	10.8
111.74634	1.2
113.09657	7.8
117.07026	2.0
119.04934	14.3
119.08577	39.4
120.08910	1.8
121.06483	3.5
121.10169	8.2
123.04432	13.5
123.08086	6.7
123.11710	1.6
131.08607	1.9
133.02875	7.5
133.06485	8.9
133.09129	2.1
133.10120	29.8
134.10439	1.5
135.04411	3.6
135.11678	11.4
136.05190	2.8
137.09657	5.5
146.03568	1.7
147.04407	27.5
151.03889	4.5
151.07541	2.8
151.11203	2.3
159.11617	1.0
161.05984	9.7
161.09589	3.3
161.13251	25.3
179.03391	25.1
179.06949	11.2
179.08708	2.7
179.10666	7.3
179.14307	66.7
180.14656	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	179.143
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03936	4.9
53.29832	1.4
55.01873	18.7
55.05513	27.2
56.96549	3.6
57.03437	11.7
57.04093	1.1
57.07068	4.9
59.04989	2.8
65.03934	4.3
67.05503	62.4
69.03419	6.5
69.07070	37.3
69.24840	14.4
71.04996	8.9
79.05491	36.5
80.16053	1.4
81.03410	7.4
81.07053	85.5
82.07413	1.6
83.04967	10.1
83.08601	5.8
85.06528	3.0
89.03894	1.9
91.05479	46.5
92.05824	3.0
93.07040	34.2
95.04968	25.3
95.08604	100.0
96.08949	2.5
97.06535	7.3
103.05450	2.9
105.03384	3.3
105.07029	46.3
107.04966	7.7
107.08585	32.8
109.06514	23.5
109.10152	36.9
111.04439	2.7
111.08073	8.4
115.05486	3.1
117.07036	4.0
118.04169	1.7
119.04940	29.0
119.08575	31.4
121.06495	4.4
121.10139	14.1
123.04429	16.7
123.08067	33.3
123.11704	5.1
130.28523	1.4
133.02850	11.2
133.06485	15.3
133.10126	22.1
135.04462	3.3
135.08070	2.5
135.11700	12.8
136.05200	3.6
137.05978	5.3
137.09616	19.5
137.13289	2.7
146.03612	5.1
147.04405	43.6
148.04770	1.6
151.03906	5.9
151.07532	3.6
151.11192	2.6
151.14827	8.5
161.05983	21.2
161.09627	3.2
161.13255	26.6
161.14488	2.7
173.66260	1.5
179.03394	46.1
179.06918	17.1
179.08673	2.1
179.10654	12.8
179.14307	61.7
180.03831	2.8
180.06616	3.6
180.10136	1.8
180.17567	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.143
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
51.65390	1.4
53.03935	6.4
55.01870	21.5
55.05274	1.5
55.05513	20.7
56.96540	4.2
57.03419	5.2
57.07061	4.6
59.04992	1.4
61.20513	1.2
62.27666	1.3
62.89563	1.1
65.03922	4.4
67.05504	97.0
69.03432	7.5
69.07066	16.3
70.86374	2.6
70.86709	2.7
71.04992	8.2
77.03918	1.3
79.05081	2.3
79.05495	26.2
81.03437	6.3
81.07051	75.2
83.04965	6.4
83.08591	3.0
85.06519	1.4
85.10159	1.8
91.05477	51.0
92.05820	1.9
93.07037	31.1
95.04382	1.9
95.04964	28.5
95.08603	100.0
97.06516	4.2
103.05452	4.3
105.03387	3.2
105.07029	41.5
107.04943	6.1
107.08593	16.0
108.16266	1.4
109.02862	1.7
109.06506	17.1
109.10155	49.9
111.04408	2.4
111.08078	3.0
115.05454	2.1
117.03381	1.3
117.07008	4.1
118.04107	3.6
119.04940	33.7
119.08576	23.6
121.02902	1.4
121.06514	3.4
121.10138	7.5
123.04430	12.2
123.08070	21.5
123.11681	2.2
133.02841	7.5
133.06505	18.8
133.10143	15.7
135.04442	2.9
135.07993	1.8
135.11681	7.8
136.05176	3.9
137.05974	4.2
137.09619	22.6
137.13284	1.9
143.08549	2.7
146.03622	6.9
147.04405	47.8
148.04726	1.5
151.03891	5.5
151.07553	6.1
151.11192	2.1
151.14793	8.6
160.71332	1.2
161.02296	1.2
161.05968	26.6
161.09595	4.9
161.13251	14.2
163.07573	1.9
164.04181	1.2
179.03383	35.2
179.06943	23.9
179.08659	3.1
179.10632	8.9
179.14304	56.2
180.03670	1.6
180.14671	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	179.0701
Annotation	(3S)-2-Oxo-3-phenylbutanoate
Peak:m/z	Relative Intensity
53.03942	5.2
54.40043	0.6
54.82066	0.7
55.01866	4.4
55.05505	3.9
55.49293	0.7
57.03437	0.7
65.03939	2.4
67.05502	23.6
69.03421	2.4
70.96013	1.9
71.01355	2.3
77.03919	2.3
79.05491	100.0
80.05827	1.3
81.03435	3.6
81.03812	0.7
81.07051	47.5
83.01344	1.5
83.04973	1.7
85.02897	2.1
91.05480	21.1
93.07051	4.4
94.04178	1.1
95.01312	1.2
95.04964	26.8
95.08604	6.5
97.02887	5.5
103.05452	6.5
105.03410	3.4
105.04507	0.8
105.07027	39.7
107.04960	10.4
107.08607	2.0
108.05761	0.8
109.02882	6.5
109.06514	39.9
110.06815	0.7
111.04451	5.8
111.08075	23.7
115.05460	7.2
117.07015	9.0
119.04950	4.1
119.06086	1.1
121.06517	3.2
123.04422	5.4
123.08058	5.8
125.02321	0.9
129.53012	0.7
131.04898	1.2
133.02853	1.4
133.06487	29.9
135.04402	5.0
135.08075	1.7
137.05971	21.4
147.04387	2.9
151.03897	32.4
151.07518	10.5
152.04295	0.8
161.05988	7.6
179.03566	3.6
179.07027	34.2
179.77678	0.7
180.07393	1.3
186.70940	0.8
197.51140	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0703
Annotation	(3S)-2-Oxo-3-phenylbutanoate
Peak:m/z	Relative Intensity
51.07352	0.6
53.00293	1.1
53.03950	3.6
55.01875	11.4
55.05513	28.1
57.03423	0.9
60.64279	0.6
65.03937	3.9
67.05504	13.9
68.05032	0.7
69.03412	3.2
69.04536	0.7
70.01542	2.9
71.01357	5.0
77.03914	1.5
79.05493	23.8
79.77826	0.5
81.03410	2.2
81.07059	41.3
82.07401	0.9
83.04989	4.6
89.03896	0.8
91.05482	29.4
93.07042	7.5
94.04194	4.4
95.01317	1.0
95.04974	11.1
95.06061	1.5
95.08611	22.0
97.02885	2.6
98.20844	0.9
102.75701	0.6
103.05467	7.1
105.03404	4.4
105.04518	1.3
105.07035	47.2
106.07351	0.8
107.04955	8.9
107.08573	1.8
108.05758	7.0
109.02898	3.2
109.06520	100.0
110.06858	1.9
111.04443	6.6
111.05679	0.5
111.08070	2.1
115.05434	2.6
117.03413	0.7
117.07050	1.5
118.04158	0.9
119.04123	1.2
119.04948	20.6
119.06019	1.5
119.08549	1.2
121.06503	5.3
123.00811	0.6
123.04447	9.6
123.08070	25.2
124.05165	0.7
133.02867	13.3
133.06496	38.6
133.10168	1.6
134.06955	1.1
135.04422	2.9
135.08047	2.7
137.02274	0.6
137.05983	16.0
137.08197	1.8
138.23344	0.6
146.03590	1.0
147.04416	11.6
151.03963	5.4
151.07545	34.7
152.08054	1.1
153.05476	0.7
161.02312	1.4
161.06001	14.0
161.09575	0.7
161.13266	1.4
168.70847	0.6
179.03432	19.9
179.07039	53.3
179.10503	1.2
179.14255	1.1
180.07480	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0702
Annotation	Isoferulaldehyde
Peak:m/z	Relative Intensity
53.03947	3.2
53.94774	0.6
55.01870	5.8
55.05510	1.8
57.03432	1.8
57.07079	0.6
65.03937	5.5
65.05548	0.8
67.05495	11.2
68.99791	2.2
69.03420	1.2
69.07053	0.9
71.21540	1.1
71.21873	1.0
77.03909	1.0
78.96485	0.6
79.05488	10.6
80.02688	0.8
81.03402	0.8
81.07043	4.5
83.04974	1.5
85.02923	1.0
91.05477	30.4
92.05786	1.0
93.03414	0.7
93.07056	5.1
95.04962	20.3
95.08599	6.8
103.05458	4.4
105.03386	1.7
105.04530	0.9
105.07027	14.9
107.04945	2.5
107.08578	2.9
108.05724	3.0
109.02894	2.5
109.06499	4.9
109.10179	1.5
110.03664	5.7
111.04426	3.1
115.05424	1.5
118.04124	1.7
119.04939	28.7
119.05804	1.4
119.08556	2.3
120.05257	0.8
121.02861	2.9
121.03986	1.2
121.06501	3.0
121.10120	3.4
123.04423	100.0
123.08058	10.9
124.04753	1.6
133.02831	0.7
133.06496	7.0
133.10120	2.3
135.04367	1.1
135.11674	1.2
136.05183	4.2
137.05983	3.5
137.08173	0.8
137.09494	0.8
146.03610	1.3
147.04405	33.2
148.04759	1.8
149.05960	2.0
150.06776	0.8
151.03918	7.8
151.07538	47.5
152.07921	1.5
161.05943	5.3
161.07141	2.2
161.13243	3.1
164.04683	1.2
170.06105	0.7
179.03607	3.3
179.07022	66.5
179.14328	6.5
180.07361	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0702
Annotation	(E)-Methyl-4-hydroxycinnamate
Peak:m/z	Relative Intensity
53.03940	2.4
55.01876	4.8
55.05507	3.8
57.03445	0.8
65.03937	5.7
67.05504	7.9
71.01365	1.0
71.50858	1.8
79.05492	15.4
80.59933	0.7
81.03419	1.9
81.07044	10.2
83.04982	2.3
87.38497	0.8
90.64724	0.7
91.05479	68.7
92.05821	1.7
93.07045	4.4
95.04969	12.8
95.06087	1.8
95.08605	3.1
97.02877	1.1
103.05450	3.7
105.03378	1.7
105.06303	1.4
105.07024	14.4
107.04937	4.2
107.08595	0.9
108.05772	1.8
109.02892	4.5
109.06533	10.1
110.03217	2.2
111.03418	3.0
111.04424	7.4
111.08088	6.0
115.05467	1.7
117.07076	1.2
118.04193	2.2
119.04939	78.5
119.08567	2.8
120.05212	1.3
121.06528	5.6
123.04439	4.3
123.07256	1.1
123.08064	5.4
126.32991	0.9
128.39653	0.9
133.02916	1.5
133.05501	1.5
133.06490	16.8
133.07463	1.3
133.10097	2.1
135.04434	1.5
135.08034	1.0
136.05209	2.3
137.05971	11.1
137.08266	2.7
137.09599	1.0
146.03598	1.6
147.04408	100.0
148.04837	2.4
149.05988	1.8
151.03917	11.5
151.07564	10.2
157.90427	0.9
161.06010	5.4
161.13281	1.8
164.04672	1.5
165.05475	0.9
179.03508	5.7
179.07057	35.9
179.10631	3.2
179.14265	2.1
180.07506	1.2
190.07956	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0702
Annotation	(E)-Methyl-4-hydroxycinnamate
Peak:m/z	Relative Intensity
51.02368	1.7
53.03939	4.7
55.01856	5.1
55.05501	3.5
60.70937	1.0
65.03943	7.4
67.05505	14.3
69.03427	2.7
70.66468	1.9
70.66853	2.5
71.01354	2.7
71.26740	1.0
71.41996	0.9
71.51791	1.0
77.03917	1.9
79.05492	34.5
81.03414	2.8
81.06593	2.2
81.07056	34.1
83.04968	2.0
85.02960	1.1
91.05481	82.7
92.05829	1.5
93.07031	5.5
94.04128	1.1
95.04968	20.9
95.08593	5.3
97.02897	2.5
103.05479	7.5
105.03394	3.1
105.04527	1.9
105.07034	20.7
107.04952	11.8
108.05726	2.2
109.02879	9.1
109.06516	25.7
111.03316	2.1
111.03762	1.1
111.04448	7.8
111.08074	16.0
113.12411	0.9
115.05441	2.1
119.04941	78.6
119.08565	4.1
121.06531	6.0
123.04435	5.1
123.08010	5.2
125.02381	1.1
131.04898	1.4
133.06480	16.6
134.07138	1.0
135.04399	5.7
135.08063	1.6
136.05179	3.2
137.05977	24.4
146.03578	1.2
147.04410	100.0
148.04739	2.9
149.06017	1.3
151.03903	40.2
151.07541	14.1
161.05991	8.0
164.04677	1.4
165.05418	1.7
179.03461	3.2
179.07045	38.1
179.10637	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	179.0702
Annotation	(3S)-2-Oxo-3-phenylbutanoate
Peak:m/z	Relative Intensity
51.51799	0.7
52.28167	0.8
52.39145	0.6
53.03746	0.7
53.03943	6.8
55.01873	6.4
55.05273	0.9
55.05509	11.6
56.01254	0.7
57.03419	2.3
57.70435	0.7
65.03936	1.0
67.05502	9.4
69.03406	2.6
69.07023	1.0
71.46593	1.7
77.03904	1.4
79.05490	26.2
80.05802	0.8
81.03411	2.9
81.07055	17.6
83.04974	4.9
83.08614	1.8
83.50762	0.7
91.05482	18.6
93.07039	11.4
95.04966	66.3
95.08600	10.0
96.05276	1.4
103.05486	5.0
105.03384	1.1
105.04534	2.5
105.07029	35.0
106.07381	1.0
107.04953	13.8
107.08585	2.3
108.05733	1.2
109.02871	2.9
109.05812	1.5
109.06511	18.9
109.10136	1.3
111.03315	1.1
111.03665	1.0
111.04427	10.1
111.08077	100.0
112.08408	1.8
115.05429	2.5
119.04938	4.4
119.08598	1.4
121.06509	5.2
121.10130	1.4
123.04444	6.1
123.08062	10.4
133.02875	1.3
133.06488	25.6
133.10104	1.8
135.04402	1.1
135.08043	1.0
137.05937	2.4
137.08206	1.0
147.04396	4.0
149.05968	2.4
151.03917	3.3
151.07547	9.8
151.14828	1.0
161.05978	8.4
161.13304	1.7
179.03470	1.9
179.07022	28.2
179.10655	1.4
179.14334	3.7
180.07269	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0399
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85080	0.9
55.01861	3.4
56.96553	2.8
57.07080	1.1
57.09898	0.9
58.99866	1.2
67.05475	1.1
69.97641	5.3
73.06521	0.9
77.00906	1.2
81.04558	1.1
81.07022	1.5
82.01434	7.3
82.99827	1.7
91.05472	4.0
95.06127	1.5
98.11341	1.2
98.21466	1.2
100.02473	29.8
101.00880	18.7
103.02438	2.1
105.07040	2.6
108.05736	0.9
115.02398	3.4
116.01991	1.8
118.03513	17.8
119.01916	100.0
119.04932	3.4
120.02022	4.2
123.04437	1.2
123.94379	0.9
131.01855	1.2
131.52609	1.0
133.01654	3.5
133.03468	19.1
133.04446	2.1
133.06516	1.3
134.02980	11.4
137.02959	37.3
137.08235	2.3
137.09547	1.2
138.03073	2.2
142.03497	3.1
144.03224	1.1
147.04329	5.9
151.04539	9.3
151.71565	1.1
152.03943	1.1
155.99698	1.1
156.03267	1.3
156.03908	1.2
156.05031	9.6
156.97488	2.2
157.03419	3.5
157.04637	3.2
160.04443	1.5
161.02965	18.5
161.04425	1.7
161.05945	2.8
174.00748	1.9
174.02946	1.6
174.04445	1.3
174.06143	5.0
174.98640	1.5
175.04517	2.5
179.04045	24.6
179.06825	1.7
179.09254	1.1
179.10603	1.7
179.96695	1.1
179.98145	4.4
197.00705	1.3
197.99159	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	179.0702
Annotation	Isoferulaldehyde
Peak:m/z	Relative Intensity
53.03948	3.3
55.01869	5.1
55.05510	32.0
65.03936	1.8
67.05504	10.5
67.06486	0.7
68.92229	0.6
69.03422	3.2
69.19918	1.3
69.20325	6.0
71.01346	4.4
72.61085	0.6
79.05489	12.5
81.03437	1.1
81.07055	36.2
83.04980	3.7
89.87318	0.6
91.04911	1.1
91.05479	18.2
93.07039	4.1
94.04184	4.3
95.01353	1.1
95.04984	6.0
95.08598	19.2
95.09188	1.3
97.02892	3.0
98.20735	1.2
100.89394	0.6
103.05482	3.6
105.04492	0.8
105.07024	22.7
107.04952	6.7
107.08601	1.0
108.05745	7.8
109.02872	1.8
109.06515	100.0
110.06843	2.5
115.05467	1.0
118.04245	1.1
119.04942	9.6
119.05887	0.9
119.06064	0.9
119.08566	0.8
121.06513	2.6
123.04430	2.0
123.08062	21.5
133.06483	11.1
133.07468	1.0
133.10147	1.1
135.04384	1.0
135.08081	0.9
136.05197	1.5
137.05968	14.2
146.03673	1.9
147.04405	13.1
151.03847	1.1
151.07541	25.4
152.07880	1.1
154.87053	0.6
161.05989	8.9
164.04691	0.8
164.31255	0.7
179.03510	1.3
179.07033	42.3
179.14267	1.5
180.07423	1.3
191.65530	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0338
Annotation	Esculetin
Peak:m/z	Relative Intensity
51.02384	0.4
53.00317	0.3
53.03941	1.2
55.01862	2.3
55.05508	2.0
65.03941	0.7
67.05497	2.5
68.99802	0.3
69.03420	0.4
69.50948	1.3
69.51377	0.9
73.95448	0.3
74.96864	0.3
77.03912	2.0
79.05492	5.7
81.03413	0.8
81.07051	4.3
83.04969	0.4
89.03896	2.6
91.05476	5.4
93.07038	0.9
95.04963	3.8
95.06058	0.4
95.08610	1.6
97.02853	0.3
103.05467	0.9
105.03381	5.1
105.04490	0.5
105.06308	0.4
105.07022	5.8
107.04939	0.8
107.08577	0.4
108.05728	1.1
109.02874	1.8
109.06510	5.2
111.03384	0.4
111.04417	0.7
111.08067	1.1
115.05456	0.5
117.03368	1.3
119.04931	4.9
119.08525	0.3
121.06447	0.6
123.04420	39.8
123.08037	1.5
124.04789	0.8
127.98925	0.3
133.02846	29.7
133.06468	4.8
133.10117	0.6
134.03174	0.6
134.07161	0.4
135.04405	5.2
135.08105	0.4
137.05977	1.6
137.09561	0.3
139.07401	0.3
147.04399	5.3
151.03893	11.5
151.07494	2.0
152.08145	0.4
158.17021	0.3
158.63324	0.3
161.02315	1.6
161.05989	2.5
161.13220	0.3
175.08192	0.3
179.03378	100.0
179.10599	0.7
180.03760	3.3
180.67332	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.1226
Annotation	Valerianine
Peak:m/z	Relative Intensity
51.02385	0.3
53.03944	0.6
54.04281	0.4
55.01867	1.3
55.05506	0.7
56.05044	0.4
56.96565	0.5
59.93110	0.3
65.03942	0.4
67.05499	1.6
68.05026	0.3
70.76038	0.7
70.76371	0.6
71.01339	0.4
73.13648	0.3
77.03912	0.3
79.05489	4.1
80.05025	0.3
80.05835	0.8
81.03419	0.6
81.07063	1.9
83.06129	0.8
84.04487	0.4
85.02902	0.4
88.02208	0.4
91.05488	4.4
92.04995	0.3
92.05823	1.0
93.05758	0.6
93.07078	0.9
94.07376	0.7
95.04990	1.5
95.06081	0.6
95.08594	1.3
97.02913	0.3
98.98458	0.4
103.05466	1.1
103.37703	0.3
104.05825	2.0
105.03390	1.4
105.07024	5.2
106.06596	0.4
107.04948	1.1
107.08604	1.0
108.05677	0.3
109.02902	2.8
109.06498	2.5
110.03220	3.1
111.08044	0.3
115.05438	1.2
117.03374	0.4
117.05763	0.4
117.07018	1.1
118.03650	0.3
118.06541	7.2
118.96779	0.9
119.04945	2.3
119.07330	7.3
119.08574	0.5
121.06462	0.6
122.06890	0.9
123.04436	2.1
123.08052	0.8
132.04393	0.4
132.05272	0.6
132.08067	1.2
133.02817	1.0
133.06506	2.9
133.10085	0.7
134.09651	54.1
135.04434	0.5
135.10005	1.6
137.05978	1.3
137.08246	1.1
146.03517	0.7
146.05981	0.7
147.04388	2.3
149.05908	0.3
150.06351	1.0
151.03894	1.0
151.07530	1.5
154.96413	0.5
160.03830	0.6
160.11086	0.5
161.05972	1.5
161.13217	0.3
162.09140	2.2
163.09920	1.1
178.04842	4.4
178.09004	2.2
178.12270	100.0
179.03436	3.9
179.07024	3.2
179.10783	0.6
179.12619	2.6
179.14130	0.6
179.29773	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1273
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
51.02379	2.0
53.03943	10.5
55.01860	7.7
55.05511	27.6
57.03436	9.2
57.07060	4.5
65.03923	4.1
67.05505	23.4
69.03419	9.7
69.07066	34.3
69.36814	5.5
69.37250	6.7
71.04987	10.6
73.88932	1.5
74.88303	1.6
78.04707	2.3
79.05490	60.3
79.64446	1.3
80.05812	1.4
81.03402	6.5
81.06595	3.1
81.07054	47.9
83.04971	5.1
83.08623	9.2
89.03931	3.2
91.04901	3.4
91.05476	62.0
93.07039	100.0
94.07345	1.9
95.04971	20.7
95.08606	19.0
97.06514	5.0
98.98460	7.0
103.05464	19.2
105.04512	3.7
105.07032	39.3
106.04176	5.7
107.04948	19.3
107.08591	66.8
109.02875	77.5
109.06507	15.7
109.10098	1.7
110.03222	2.0
115.05444	4.9
116.06226	2.8
117.03378	4.0
117.07018	40.4
119.08558	18.6
121.06504	36.6
121.10146	21.1
123.08103	2.4
129.07005	9.2
130.07759	7.0
131.04941	7.9
131.08568	39.4
133.06500	2.9
133.10110	12.8
134.03598	2.6
134.07327	1.5
135.04352	2.7
135.08058	18.6
135.11664	8.3
144.09346	11.2
145.02835	5.2
146.16360	1.5
147.11641	1.6
148.08765	2.4
149.05983	14.7
149.09607	4.8
149.13258	18.6
157.10133	3.5
159.04396	3.1
159.11691	38.5
162.03180	3.5
177.05449	23.7
177.09128	7.5
177.12747	66.1
178.13045	2.6
188.38084	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1273
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
53.03941	4.7
55.01873	4.4
55.05508	5.2
57.03425	1.2
59.26872	0.6
65.03921	1.3
67.05504	21.9
69.03404	1.2
69.07066	7.8
71.34792	0.8
76.77551	0.6
79.05018	0.7
79.05492	33.1
81.03409	6.6
81.07053	37.4
82.07367	0.8
83.04997	3.5
83.08628	3.1
85.06494	0.7
89.03944	0.9
91.05480	31.7
92.05806	0.9
93.07041	46.7
94.07365	1.1
95.04975	12.4
95.08601	8.2
97.06524	10.9
98.98464	2.2
99.08053	0.8
103.05458	5.1
105.07027	20.2
107.04946	4.1
107.08589	16.6
109.02876	36.9
109.06525	6.4
110.03230	1.0
111.08078	4.9
115.05459	1.5
117.03367	1.6
117.07018	24.3
119.08570	5.5
121.06499	5.3
121.10130	8.3
123.08086	0.8
129.06960	1.4
131.04924	1.8
131.08557	29.0
132.08875	0.8
133.10121	28.2
135.08051	7.4
135.11682	6.9
144.09361	1.8
149.02307	0.6
149.05980	2.6
149.09636	4.2
149.13248	17.1
157.10080	1.4
159.04398	1.0
159.11688	49.5
160.11977	1.1
162.34004	0.7
177.05478	4.1
177.12738	100.0
178.13077	4.3
179.17949	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0909
Annotation	cis-1,2-Dihydroxy-1,2-dihydro-7-methylnaphthalene
Peak:m/z	Relative Intensity
51.02369	0.3
52.00774	0.2
53.03942	1.9
55.01868	1.4
55.05503	0.6
57.20021	0.3
65.03928	0.7
67.05481	0.6
68.99772	0.4
69.03388	0.3
69.07046	1.4
69.17839	2.5
71.01338	0.8
77.03913	0.4
78.04702	2.3
79.05489	6.2
81.03410	3.2
81.07050	1.5
83.01271	0.3
83.08614	0.7
86.28540	0.3
89.03910	3.1
91.05474	12.3
92.05750	0.3
93.03387	0.4
93.06485	0.5
93.07036	6.7
95.04961	3.9
95.08600	2.6
98.98450	3.3
103.05460	10.4
104.05748	0.3
105.03381	1.0
105.04500	1.2
105.07022	3.3
106.03479	0.6
106.04169	9.9
106.07824	0.5
107.04966	5.0
107.08595	3.5
109.02873	35.9
109.06506	1.0
109.10123	1.0
110.03226	1.0
110.72067	0.3
115.05445	4.0
116.06233	3.4
117.03375	3.9
117.07014	13.0
118.04180	0.3
118.07331	0.5
118.38239	0.2
119.04934	2.1
119.08570	1.0
120.05657	0.3
121.02828	0.5
121.06496	11.4
121.10136	4.5
123.04386	0.3
129.06989	0.5
129.39137	0.4
131.04927	4.7
131.08551	1.1
133.02856	0.3
133.06494	3.6
134.03644	3.2
134.07272	4.0
135.04413	2.1
135.08073	1.7
135.11678	0.9
144.05688	2.1
145.02841	4.2
145.06494	2.7
146.05968	0.6
147.04407	1.2
147.07994	0.6
149.02382	0.8
149.05971	11.3
149.09627	1.6
149.13249	0.5
150.06358	0.3
159.04387	1.6
159.05550	0.4
159.08038	0.8
159.11682	0.6
161.05968	1.8
162.03127	6.0
162.06754	14.3
163.03867	0.5
173.43167	0.3
175.07530	0.4
177.05511	20.3
177.09093	100.0
177.16351	2.8
178.06013	0.5
178.09500	3.2
196.45630	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0909
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.3
53.03935	1.8
53.49785	0.3
55.01876	1.5
65.03932	0.6
69.07073	0.7
71.01344	0.6
71.50199	0.4
77.03932	0.6
78.04726	0.9
78.07673	0.3
79.05489	4.6
80.05792	0.3
81.03414	6.2
81.07064	0.5
81.98910	0.3
88.08357	0.3
89.03912	0.8
91.05476	10.1
92.06286	0.4
93.07041	5.8
95.04963	2.6
95.08602	1.0
98.98459	0.6
103.05469	9.4
104.05800	0.5
105.03414	0.5
105.04502	0.7
105.07029	2.3
106.04173	2.5
106.07819	0.5
107.04964	4.8
107.08595	1.6
107.09256	0.3
109.02878	69.9
110.03210	1.3
115.05452	5.3
116.06248	3.5
117.03383	1.2
117.07012	12.8
118.07372	0.4
119.04953	1.7
119.08592	0.4
121.06504	8.8
121.10136	2.2
131.04927	3.9
131.08598	0.7
133.06477	3.6
134.03653	2.2
134.07266	4.4
135.04419	0.6
135.08096	2.1
144.05724	2.2
145.02849	1.8
145.06482	2.6
146.06007	0.3
146.07188	0.5
147.04457	1.3
147.08038	0.5
149.05984	6.2
149.09589	1.0
159.04425	1.3
161.05995	1.9
162.03134	5.7
162.06757	14.7
163.07047	0.3
175.07558	0.8
177.05537	15.4
177.09102	100.0
177.16376	1.1
178.05821	0.6
178.09496	3.4
193.18777	0.3
198.47548	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.091
Annotation	cis-1,2-Dihydroxy-1,2-dihydro-7-methylnaphthalene
Peak:m/z	Relative Intensity
53.03946	0.5
66.03279	0.3
70.17670	0.3
70.82835	1.0
78.04708	0.4
79.05479	1.3
81.03407	0.7
81.19459	0.3
91.05478	4.3
93.07036	1.3
95.04977	0.5
98.98422	0.3
103.05480	2.1
105.07002	1.2
106.04167	0.8
107.04952	1.2
107.08603	0.3
109.02878	6.9
109.06506	0.4
115.05448	3.3
116.06242	3.3
117.03352	0.4
117.07020	11.2
119.04906	1.2
121.06498	3.4
121.10164	0.7
131.04904	1.0
133.06503	2.5
134.07268	3.5
135.04422	0.4
135.08040	1.7
144.05701	1.9
145.02872	0.5
145.06535	1.5
147.04424	0.7
149.05933	1.9
149.09593	1.0
159.04437	0.3
161.06003	1.1
162.06755	12.0
163.07127	0.4
175.07518	0.5
177.05893	2.2
177.09100	100.0
178.09468	2.9
194.84601	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.091
Annotation	cis-1,2-Dihydroxy-1,2-dihydro-7-methylnaphthalene
Peak:m/z	Relative Intensity
50.69715	0.2
51.02382	0.6
53.03948	3.2
55.01873	2.6
55.05493	0.3
58.67530	0.2
58.91304	0.2
65.03922	0.4
65.93356	0.2
67.05487	0.3
69.07070	0.3
69.73993	0.2
70.52184	0.5
70.52549	0.5
71.01348	0.9
77.03931	0.5
78.04712	0.7
79.05493	5.6
81.03417	8.3
81.07061	0.6
86.11579	0.3
89.03925	0.9
91.05476	9.0
92.05829	0.4
93.03382	0.3
93.07046	5.7
94.38721	0.3
95.04965	3.2
98.98470	0.6
99.91766	0.3
102.04628	0.3
103.05468	10.7
104.05812	0.4
105.03386	0.6
105.04525	1.0
105.07030	2.3
106.04168	1.1
106.07810	0.4
107.04230	0.3
107.04951	5.3
107.08590	0.7
109.02877	100.0
109.06532	0.6
110.03224	2.1
115.05440	3.3
116.06238	1.8
117.03363	1.2
117.07012	9.9
119.04949	1.0
119.08578	0.4
120.05756	0.3
121.06499	9.5
121.10136	0.6
123.07562	0.2
131.04039	0.4
131.04936	4.2
131.08586	0.5
133.06500	2.3
134.03651	2.0
134.07266	3.0
135.04420	1.1
135.08040	1.0
144.05685	1.7
145.02834	0.6
145.06482	3.8
146.03656	0.3
147.04395	0.7
147.08080	0.4
149.05980	10.8
149.09636	1.1
150.06294	0.3
159.04393	1.9
159.08044	0.3
161.05983	0.8
162.03130	3.7
162.06764	9.5
163.07083	0.2
175.07520	0.4
177.05531	13.0
177.09100	67.5
178.09540	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	177.0545
Annotation	Herniarin
Peak:m/z	Relative Intensity
51.02378	0.7
52.07703	0.3
53.03947	6.5
55.01868	3.9
59.23642	0.3
60.51080	0.3
65.03949	0.3
68.99773	0.4
69.48348	1.7
69.48761	0.9
71.01343	2.7
77.03931	1.4
79.05491	19.9
81.03414	9.1
81.07069	0.8
88.84326	0.3
91.04904	0.7
91.05476	13.6
93.07042	11.5
93.53398	0.3
94.07332	0.3
95.04962	8.1
102.04684	0.6
103.05463	30.8
104.05820	0.9
105.03401	3.2
105.04515	2.1
105.07013	2.8
107.04213	0.5
107.04954	14.7
109.02875	100.0
109.06522	1.2
110.03186	2.0
115.05465	0.5
119.04927	1.1
121.06505	14.9
123.04406	0.8
131.04927	13.8
131.05684	0.2
133.02856	5.7
133.03874	0.7
133.06487	0.9
135.04407	2.4
145.02797	0.4
147.04420	1.9
149.05980	11.5
150.06253	0.4
151.03912	0.4
155.22037	0.3
159.04407	6.5
159.05634	0.7
175.04001	0.3
177.05460	11.6
178.05818	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01572	0.2
51.02380	0.3
53.03946	3.4
55.01871	1.8
65.03938	0.2
67.05515	0.2
68.99810	0.2
69.88004	0.9
71.01358	0.7
71.62569	0.2
73.35488	0.2
77.03927	0.5
78.04712	0.3
79.05496	4.9
81.03416	7.8
81.07072	0.3
89.03912	0.3
91.05482	6.9
92.16630	0.1
93.07045	5.6
93.07632	0.3
94.07372	0.2
95.04966	2.9
95.08682	0.2
98.98435	0.3
103.05467	11.2
104.05784	0.4
105.03424	0.3
105.04520	0.9
105.07021	1.1
106.04173	1.3
107.04958	6.1
107.08586	0.3
108.05347	0.2
109.02879	100.0
110.03217	2.4
115.05479	0.6
116.06237	0.5
117.03393	0.6
117.07022	1.6
119.04926	0.2
121.02884	0.2
121.06500	7.9
121.10161	0.3
122.06886	0.2
123.04408	0.2
125.02396	0.2
131.04933	4.6
131.05872	0.2
131.08586	0.3
133.02802	0.3
133.06462	0.6
134.03621	0.2
134.07243	0.4
135.04399	0.6
144.05679	0.3
145.02863	0.9
145.06491	0.4
147.04425	0.4
149.05984	6.2
149.09560	0.3
159.04399	2.1
159.05615	0.3
161.06026	0.2
162.03120	0.3
162.06767	1.5
177.04027	0.2
177.05498	4.2
177.09108	11.1
178.05780	0.2
178.09457	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0546
Annotation	Herniarin
Peak:m/z	Relative Intensity
50.01583	0.3
51.02380	0.6
51.56705	0.2
53.03944	3.9
55.01871	3.2
57.14891	0.2
65.03954	0.6
68.99775	0.2
69.73194	1.4
71.01349	2.4
77.03916	0.8
78.04681	0.5
79.05491	12.6
81.03418	7.7
81.07047	0.9
82.03739	0.2
83.01362	0.3
87.58529	0.2
89.03917	1.2
91.05479	10.0
92.05824	0.3
93.07040	9.1
95.04967	5.8
98.98458	0.4
102.04685	0.3
103.05463	17.9
104.05773	0.5
105.03413	1.4
105.04526	1.5
105.07056	1.6
105.62054	0.2
106.04158	0.5
107.04954	12.8
107.08611	0.3
108.05289	0.3
109.02876	100.0
109.06507	1.2
110.03202	2.1
115.05457	0.6
117.03364	1.2
117.07004	1.2
119.04935	0.7
121.06503	12.2
121.07384	0.6
121.10133	0.3
122.06819	0.4
123.04433	0.5
131.04924	8.2
131.08511	0.3
132.05304	0.5
133.02116	0.2
133.02875	2.1
133.06512	0.4
134.03610	1.0
135.04402	2.2
145.02805	0.9
145.06532	0.6
147.04419	0.6
149.02403	0.3
149.05975	12.0
150.06328	0.4
151.03871	0.4
159.04404	3.8
159.05609	0.3
162.03096	0.9
163.03903	0.3
165.34993	0.3
177.05461	10.9
177.09023	1.6
177.12721	0.5
178.05844	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0546
Annotation	Herniarin
Peak:m/z	Relative Intensity
51.02373	0.4
51.83525	0.2
51.85172	0.2
53.03944	3.8
53.14651	0.2
55.01873	2.3
58.08613	0.2
60.12438	0.2
70.13717	0.2
70.78465	0.3
70.78829	0.5
71.01353	1.4
77.03915	0.7
77.11568	0.2
78.28724	0.2
79.05494	10.0
80.05810	0.4
81.02934	0.3
81.03415	7.0
81.07044	0.4
91.05480	8.0
93.07043	7.2
95.04971	3.4
100.54415	0.2
102.04707	0.4
103.05466	13.8
104.05828	0.5
105.03401	0.6
105.04490	1.3
105.07020	1.3
106.04187	0.4
107.04957	9.4
109.02876	100.0
109.06473	1.0
110.03204	2.5
119.04897	0.4
121.02782	0.2
121.06503	10.3
122.06808	0.3
123.04397	0.3
125.02373	0.2
131.04932	6.0
132.05292	0.3
133.02858	1.9
133.06500	0.3
135.04396	1.4
145.02824	0.3
145.87547	0.2
147.04361	0.7
149.04794	0.5
149.05977	7.5
149.07146	0.5
150.06296	0.4
151.03922	0.3
159.04399	2.7
159.05576	0.2
174.45326	0.2
177.05475	6.7
177.09100	0.5
178.05800	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	0.4
53.03943	6.6
53.05471	0.4
55.01861	3.5
65.03931	0.7
68.99812	0.5
69.18940	0.4
69.19189	2.6
69.19606	2.8
71.01356	2.7
74.39269	0.4
77.03929	1.3
79.05492	16.8
81.03413	9.1
91.05479	10.6
93.07042	8.9
95.04958	6.8
103.05468	19.9
104.05795	0.6
105.03370	1.0
105.04520	1.6
105.07027	1.9
107.04221	0.6
107.04955	15.5
109.02878	100.0
109.06543	2.3
110.03229	1.7
119.04984	0.8
121.06501	10.4
123.04433	0.6
131.04921	8.1
133.02847	2.4
135.04430	1.7
145.02789	0.5
147.04494	0.5
149.05978	9.1
151.03839	0.6
159.04413	4.2
177.05455	8.4
177.09096	1.2
177.12784	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0546
Annotation	Herniarin
Peak:m/z	Relative Intensity
50.01588	0.5
51.02390	1.0
52.98259	0.3
53.03947	6.5
55.01873	5.4
65.03948	0.7
68.99785	0.5
69.94928	0.3
71.01357	3.4
71.11649	0.2
71.11834	0.2
71.12166	0.5
77.03937	1.3
78.04688	0.4
79.05495	24.3
80.05834	0.5
81.03420	8.8
81.07057	0.9
83.01346	0.8
89.76345	0.3
91.05486	14.9
92.05834	0.4
93.07046	15.7
94.07398	0.5
95.01348	0.4
95.04968	9.7
102.04691	0.7
103.05468	38.4
104.05801	1.3
104.44078	0.3
105.03405	3.6
105.04487	2.2
105.07037	3.0
107.04957	19.4
108.05338	0.5
109.02879	100.0
109.06503	1.6
110.03227	2.1
115.05439	0.5
119.04923	0.9
121.02848	0.4
121.06506	20.9
122.06852	0.6
123.04438	1.1
125.21084	0.3
131.04932	19.9
132.05548	0.5
133.02855	7.8
133.03842	0.4
133.06487	0.7
135.04399	3.7
147.04388	2.0
149.05984	16.8
150.06239	0.5
151.03915	0.9
159.04417	9.3
159.05510	0.5
175.03938	0.7
177.05470	17.6
178.05818	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.7
55.01871	1.9
55.05505	1.1
56.96566	26.9
57.03428	2.1
58.12679	0.5
58.99862	1.3
59.06128	0.6
59.99928	0.6
60.95845	1.3
61.02923	1.8
67.05513	0.7
69.03427	3.2
69.07074	1.0
70.06601	0.7
71.01364	1.0
71.04974	1.0
71.50842	1.0
71.95263	4.3
73.02917	3.4
74.97606	0.8
77.00919	0.9
79.05498	6.4
81.03417	4.6
81.07063	0.9
85.02892	2.5
87.05588	1.0
89.03931	3.4
91.02478	1.2
91.05485	6.5
93.07050	4.9
95.04974	3.2
95.06068	0.7
95.08591	1.0
97.02915	3.0
98.01299	0.5
98.03207	0.6
98.97584	100.0
99.04435	0.8
99.97926	1.4
100.02462	2.5
100.26939	0.5
101.00879	2.2
103.00633	1.8
103.02409	1.2
103.05468	7.7
105.02180	1.5
105.03387	0.7
105.04508	1.1
105.07025	1.8
106.04148	0.7
107.04950	5.2
107.08570	1.2
109.02881	36.4
109.06493	0.7
110.01328	1.1
110.03693	1.3
110.97553	1.1
111.04481	0.7
112.99134	0.9
113.00870	3.1
114.00876	0.5
114.02412	1.1
114.09221	0.6
115.02380	0.6
116.98621	95.6
117.03374	4.4
117.98952	1.0
118.03535	2.3
118.54163	0.5
118.92039	0.9
118.96772	1.4
119.01903	6.7
119.03584	0.6
120.02028	1.7
121.01659	6.1
121.06506	5.0
121.10139	1.7
123.03229	0.6
123.04429	0.6
124.02766	0.6
126.02387	0.8
127.02515	0.7
127.03863	0.6
128.02309	1.0
128.98622	1.8
131.00299	0.9
131.01906	22.4
131.04893	3.9
131.08577	0.8
132.02110	0.6
133.01704	0.6
133.03506	1.0
134.02844	0.8
134.03683	1.8
134.07170	0.6
134.99658	76.2
135.03157	5.5
135.04420	2.3
135.06650	1.6
135.08064	0.7
135.11736	0.7
135.99020	0.9
136.00000	1.2
136.02725	1.1
136.04556	0.6
136.06197	2.5
136.93106	2.2
137.02919	2.7
137.04585	0.7
137.06966	1.0
139.02672	2.5
140.00221	4.1
142.03607	0.6
144.99811	0.7
145.02719	4.9
146.99643	2.1
147.03185	1.2
147.04276	1.0
149.01196	1.1
149.03065	5.8
149.05991	6.6
150.07809	0.8
151.03865	0.6
153.00682	12.4
153.04208	1.8
154.03494	9.2
154.94173	4.8
155.00182	0.7
155.01884	2.9
156.05132	1.0
158.01265	4.6
158.99626	1.6
159.01530	0.8
159.03247	1.0
159.04379	1.1
159.11642	0.6
160.04794	0.9
160.06183	5.7
161.00177	0.7
161.01349	0.7
161.02969	0.9
162.03145	1.8
163.02785	0.9
165.04285	0.9
171.01413	0.6
172.01561	2.4
172.04488	2.8
172.95265	8.3
173.01218	1.0
173.02963	3.2
177.00826	4.5
177.02419	3.7
177.04196	4.9
177.05475	7.4
177.08852	4.4
177.10170	0.7
177.12759	1.4
177.16380	0.8
178.08638	1.2
190.02571	1.4
190.96332	5.4
195.01735	1.5
195.03387	1.1
195.05063	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1482
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03949	1.3
54.33681	0.6
55.05513	7.4
59.12506	0.6
63.09616	0.5
65.03941	1.3
67.05522	3.3
67.97875	0.6
69.07071	17.6
69.30410	6.3
70.06575	0.9
79.05495	3.9
81.07056	11.6
83.08627	3.5
84.04490	0.8
91.05482	22.0
93.07050	6.1
95.04945	0.7
95.08620	8.1
98.21478	1.0
98.98470	14.3
101.03913	0.7
103.05459	2.2
104.06253	2.6
105.07036	30.4
106.07369	1.1
107.04944	1.1
107.08596	7.0
115.05450	17.3
116.99488	0.7
117.07023	8.6
119.04938	2.6
119.08584	100.0
120.08942	2.7
121.10159	2.8
125.54620	0.6
128.06232	2.2
129.07040	3.4
131.04935	3.4
131.08575	6.5
132.05736	7.5
132.09419	0.8
133.10132	76.8
134.10478	2.0
135.11711	0.7
142.07756	1.5
143.04898	4.2
144.05736	3.4
145.06474	3.9
145.10132	9.2
146.10899	2.1
147.04413	4.9
147.08044	5.3
147.11693	16.0
148.04883	0.7
148.12027	0.8
155.06065	0.7
157.10077	0.9
159.11691	1.7
160.05202	28.4
160.12425	3.3
161.05582	1.0
173.13249	1.9
175.04092	3.9
175.07550	62.6
175.11401	3.6
175.14828	91.2
176.07864	2.5
176.15234	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	176.0405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.5
56.05027	1.1
56.96561	2.9
57.93550	0.9
58.99850	0.9
59.06115	1.2
71.50352	0.4
75.05584	1.0
75.94589	0.9
77.00892	0.4
79.05502	0.5
81.03426	0.5
83.02470	0.4
89.03912	1.0
91.05466	1.3
93.07040	0.8
95.04974	0.7
98.00883	0.6
98.97569	13.0
98.98437	2.9
100.01488	0.4
100.02474	2.0
101.00848	2.5
101.07111	0.4
102.00946	0.6
103.00590	0.8
103.02486	0.8
103.05444	1.2
104.02521	1.4
105.02150	0.4
105.07008	0.7
107.04967	0.7
109.02874	6.9
112.32732	0.4
113.00856	0.6
115.02396	0.6
116.01939	12.2
116.97273	6.5
116.98615	16.6
117.02117	0.4
117.03319	0.7
118.03516	7.2
119.01920	22.5
119.08603	0.4
120.02017	4.9
120.03224	0.5
120.05482	0.4
120.08089	0.4
120.08834	0.4
121.01644	6.1
121.02338	0.6
121.06484	0.7
122.03556	1.4
130.03484	0.8
130.06499	0.7
131.01903	6.4
131.05017	0.5
131.99539	1.6
133.03439	1.6
134.02979	100.0
134.04745	3.2
134.99658	20.4
135.03236	5.1
136.02611	0.7
136.04521	3.6
137.02965	13.0
137.03935	0.5
137.04665	0.6
138.03055	2.3
139.02664	3.5
140.00204	1.0
142.03496	2.4
143.03609	0.6
145.02859	1.6
146.03583	0.9
148.04620	1.3
148.07550	0.6
148.96182	0.8
149.02963	1.4
149.05998	1.2
150.06171	0.5
151.04422	0.6
152.02271	1.8
152.04007	21.3
152.05904	2.2
152.96919	2.5
153.00697	5.3
153.04056	1.5
154.03525	2.5
157.04585	5.6
158.01266	1.9
158.02975	7.5
158.04686	1.3
159.05002	0.5
160.04561	1.4
161.04703	0.8
162.05240	0.7
164.04521	0.4
167.04529	0.5
170.03288	1.1
170.98004	1.1
171.01387	15.5
171.04984	2.3
171.06238	0.7
172.01523	0.5
172.04584	1.4
175.05719	0.5
175.98590	2.7
176.04111	20.9
176.05878	5.8
176.07101	1.7
176.11832	0.7
176.14265	0.9
177.01010	2.3
177.04115	1.4
177.05473	1.7
178.05600	0.6
189.00754	0.6
189.02415	7.3
189.06056	0.7
190.05663	0.4
194.03143	1.3
194.05095	8.2
194.06895	2.3
195.05080	0.5
199.05623	2.5
199.07510	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1481
Annotation	Ionene
Peak:m/z	Relative Intensity
52.52291	0.7
55.05510	8.3
56.54226	0.7
57.02571	0.8
57.07062	1.5
57.33080	0.7
61.82169	0.7
67.05488	3.1
69.06683	1.2
69.07069	24.0
70.07377	0.8
70.83499	2.1
79.05486	2.2
81.07063	7.6
83.08603	3.3
85.77955	0.7
91.04913	0.8
91.05482	13.5
93.07038	3.3
95.08620	7.2
98.98453	3.5
103.05490	1.0
105.07031	28.6
107.08594	5.2
115.05441	2.5
117.07017	2.7
119.08581	94.2
120.08900	1.7
121.10131	2.8
123.06923	0.7
129.06982	1.5
131.08571	4.8
133.10129	85.1
134.10500	1.7
145.10115	8.5
146.10843	1.2
147.11685	12.9
148.11978	0.7
157.10097	0.7
158.10793	0.7
160.05186	1.5
160.12483	4.0
173.13228	2.1
175.03914	1.0
175.07576	3.6
175.14821	100.0
176.15189	3.6
189.01445	0.7
193.46080	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1482
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03945	1.0
55.01868	1.5
55.05512	4.4
57.07060	0.7
61.08115	0.5
63.95392	0.5
65.03958	0.6
67.05492	2.7
69.07069	38.0
69.34899	4.3
69.71453	0.5
70.06590	0.5
71.23812	0.5
71.30988	0.6
79.05492	8.0
81.07057	8.8
82.12911	0.6
83.08621	1.5
88.86232	0.5
91.05480	27.0
93.07047	9.6
95.04962	1.3
95.08612	5.5
98.98471	15.4
103.05464	3.3
104.06257	1.3
105.07030	50.3
105.14072	0.5
106.07378	0.7
107.04961	0.9
107.08591	9.8
109.06521	0.8
109.93668	0.6
111.04482	0.9
115.05441	6.5
116.99535	1.2
117.07013	7.0
119.04941	1.7
119.08577	85.8
120.08945	2.7
121.10159	2.2
128.06242	1.1
129.06998	3.1
131.04996	0.9
131.08565	6.4
132.04562	1.0
132.05721	4.5
132.09462	0.6
133.06517	0.8
133.10130	36.5
142.07762	1.5
144.05739	0.7
145.06473	1.0
145.10092	4.0
146.10896	0.9
147.04424	5.3
147.08040	3.5
147.11687	18.1
157.10129	2.1
159.11816	0.7
160.05200	10.2
160.12459	3.5
173.13272	0.7
175.04024	3.3
175.07545	20.4
175.11328	6.0
175.14819	100.0
176.06999	0.8
176.15201	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1481
Annotation	Ionene
Peak:m/z	Relative Intensity
50.22438	1.2
55.05499	4.8
67.05492	1.5
69.07071	12.7
79.05483	3.5
81.07063	7.4
83.08611	2.3
84.52897	1.1
91.05479	18.2
93.07037	3.8
95.08602	5.1
98.98464	43.0
103.05457	1.5
105.07032	25.9
107.08572	4.4
116.06197	1.7
117.06989	5.6
119.04909	2.0
119.08581	66.9
120.08874	1.9
121.10130	2.8
129.06999	4.2
131.08562	5.1
133.10130	62.0
134.10448	1.9
134.68011	1.2
135.11665	1.4
145.06511	1.5
145.10152	13.2
147.04436	3.6
147.11699	26.8
157.10068	2.1
159.11685	6.2
160.12497	9.1
161.13245	2.0
175.03899	5.2
175.07632	3.2
175.11339	6.6
175.14828	100.0
176.07079	4.4
176.15152	4.1
183.53052	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00306	1.0
53.03937	0.7
55.01879	5.8
55.05501	5.2
56.96552	0.8
57.03423	2.5
59.04997	0.7
59.72187	0.9
60.05661	1.0
65.03929	4.1
66.01821	0.7
67.05505	10.3
68.39996	0.7
69.03426	6.5
69.07064	8.5
70.06573	3.1
70.07690	0.7
71.51767	0.8
72.00562	0.7
76.45566	0.8
77.03905	0.8
79.05080	1.0
79.05494	14.3
81.03403	2.2
81.07047	12.9
81.82346	0.7
83.04965	2.8
83.08619	1.3
85.02887	0.9
91.05475	73.5
92.05791	1.2
93.07030	10.3
95.04964	6.5
95.08608	4.4
97.02867	1.9
97.06533	1.1
98.98461	64.0
103.05460	2.6
105.03367	2.0
105.07023	48.5
106.07355	1.4
107.04939	6.7
107.08572	5.9
109.06519	2.2
111.04436	1.3
115.05445	7.3
116.06235	2.2
116.07050	1.2
116.99504	2.6
117.07008	8.3
119.04936	8.6
119.08575	67.1
120.08881	1.7
121.06512	4.1
121.10113	1.7
127.03860	0.9
128.06207	2.9
129.07005	24.0
130.06520	1.1
130.07368	1.3
131.04898	2.0
131.08553	32.5
132.05713	2.5
132.08949	0.7
133.06500	12.3
133.10117	52.7
134.07144	1.5
135.55353	0.7
140.01042	0.9
141.06946	1.5
142.07776	15.4
143.04846	0.9
144.05652	0.8
145.06477	5.6
145.10098	6.7
146.07230	4.4
147.04398	19.2
147.08025	12.2
147.11676	22.1
148.04849	0.8
148.08670	1.0
150.75462	0.7
154.07349	1.3
155.05995	1.0
157.04210	0.9
157.06491	1.7
157.10120	31.5
158.10431	0.9
159.07919	0.9
159.11638	0.9
160.05193	5.8
160.08821	8.4
160.12428	2.0
173.13338	1.3
175.03944	10.8
175.07544	16.1
175.11171	100.0
175.14792	43.5
176.07068	2.5
176.11855	6.8
176.15181	1.0
193.04961	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1118
Annotation	4,7-Dimethyl-1-tetralone
Peak:m/z	Relative Intensity
51.02382	1.2
53.03941	2.5
55.01870	8.8
55.05507	8.0
56.96563	35.8
57.03420	4.6
65.03919	2.9
67.05505	12.3
69.03419	3.0
69.07068	9.3
69.30270	10.4
70.06557	1.4
70.63843	1.0
77.03904	1.0
79.05489	20.6
81.03410	14.2
81.07046	19.4
83.04954	2.6
83.08619	5.4
85.02900	1.4
91.05475	69.6
92.05784	1.5
93.07045	9.8
94.01789	6.6
94.47359	1.1
95.04951	14.5
95.08602	4.2
97.02930	1.1
97.06503	1.6
98.03672	1.2
98.21545	2.0
98.98460	48.3
103.02320	11.5
103.05432	5.4
104.06242	2.3
105.03405	1.8
105.07027	46.5
106.07325	1.3
107.04935	13.5
107.08578	4.9
109.06474	3.4
112.02901	1.6
113.02544	1.9
114.53108	2.4
115.05453	29.8
116.06260	2.5
116.99480	1.0
117.07020	11.7
119.04940	10.8
119.08575	56.0
120.08878	1.5
121.06478	3.2
121.10181	1.6
122.03074	5.8
125.04348	1.6
127.00681	1.5
128.06210	6.8
128.55046	1.3
129.06996	40.2
130.06485	2.4
131.04913	4.4
131.07632	1.3
131.08562	23.9
132.05685	13.4
133.06490	17.5
133.10127	34.6
134.04906	10.9
134.07156	2.1
134.10396	1.7
134.55069	2.2
141.06914	1.1
142.07768	15.2
142.56212	1.0
143.05429	50.2
143.55615	7.3
144.05667	4.1
145.01662	1.9
145.06451	5.0
145.10135	3.4
145.55608	2.7
147.04401	20.6
147.08040	18.8
147.11684	19.3
152.05945	18.7
152.56055	1.8
154.56206	7.0
155.06131	1.3
157.01729	5.3
157.06433	1.4
157.10123	41.9
158.10567	1.3
160.05190	34.3
160.08821	2.6
160.12422	1.9
163.56761	1.6
174.01112	1.4
175.02548	6.1
175.04143	9.3
175.06264	1.6
175.07542	66.7
175.11168	100.0
175.14769	22.7
175.18831	1.7
176.06982	2.1
176.11499	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	175.1117
Annotation	4,7-Dimethyl-1-tetralone
Peak:m/z	Relative Intensity
53.00307	0.6
53.03949	1.3
55.01874	8.0
55.05510	2.7
57.03437	3.0
59.04977	0.8
60.05632	0.5
61.70766	0.6
61.86418	0.5
65.03951	2.5
67.05499	11.1
69.03419	0.9
69.07068	4.5
69.29177	1.1
69.29589	4.1
70.06590	1.9
77.03925	0.6
78.46027	0.5
79.05492	13.1
81.03413	1.1
81.07052	9.3
83.04974	3.2
87.04426	0.8
91.05476	100.0
92.05793	2.1
93.07028	8.4
93.07568	0.7
95.04971	6.3
97.02869	1.0
97.06532	2.9
98.98461	36.2
103.05463	1.9
105.03399	1.7
105.04514	0.7
105.07027	39.4
105.42836	0.5
107.04945	5.6
107.08591	2.0
109.06510	1.7
115.05441	7.8
116.06223	2.7
116.06977	0.7
116.31961	0.5
116.99490	1.0
117.07024	4.8
119.04932	5.0
119.08576	37.3
120.08917	0.8
121.06508	2.0
128.06241	4.3
129.06996	38.4
131.04886	0.9
131.08560	46.4
132.05670	1.4
132.08855	1.2
133.06483	8.7
133.10118	22.8
134.07254	1.2
134.10477	0.5
139.90501	0.5
141.06909	0.9
142.07773	13.0
143.04749	0.5
145.06436	1.1
145.10101	2.1
146.07198	0.8
147.04402	10.1
147.08035	7.2
147.11674	13.0
151.93936	0.5
155.08546	0.7
157.06528	1.0
157.10120	36.5
158.10477	1.7
160.05185	3.6
160.08803	0.7
160.12549	0.6
161.04741	0.6
173.09560	0.5
175.01595	0.8
175.03940	5.1
175.07628	7.6
175.11171	97.8
175.14690	8.3
176.06993	1.4
176.11711	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	175.0754
Annotation	1,2-Dihydroxy-8-methylnaphthalene
Peak:m/z	Relative Intensity
53.60195	0.4
55.01876	0.6
55.05514	1.1
57.03443	0.4
65.03962	1.1
69.07076	1.4
69.24356	2.4
69.24783	1.5
70.06622	0.6
77.03901	0.4
79.05487	0.8
81.03419	0.5
81.07079	1.1
83.04977	0.5
89.88826	0.4
91.05478	13.9
93.07066	0.7
95.05009	0.7
95.08626	1.0
97.02894	0.8
98.98463	14.5
103.05480	1.3
104.06248	1.0
105.03400	1.0
105.07036	6.5
107.04950	0.8
107.08582	1.1
115.05452	42.5
116.06355	2.8
117.07021	10.6
118.04163	0.5
119.04950	4.0
119.08577	11.7
121.06525	0.5
125.02323	0.4
128.06226	3.1
129.07002	5.8
130.06500	0.7
131.04930	3.8
131.08536	1.1
132.05717	8.9
132.95871	0.7
133.06409	0.5
133.10130	6.7
141.07074	0.4
142.07828	0.7
143.04916	11.1
144.05710	10.9
145.06499	2.3
145.10130	0.6
146.07132	0.8
147.04411	10.9
147.08043	8.1
147.09229	0.4
147.11699	1.7
148.08615	0.6
155.06050	1.4
157.06375	0.5
157.10112	2.0
160.05191	78.7
161.05606	2.4
174.06650	0.5
175.03935	3.3
175.07535	100.0
175.11128	3.8
175.14828	7.4
176.07997	3.3
181.07364	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.045
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05028	0.6
56.96280	0.4
56.96574	1.2
57.03445	0.5
58.99865	1.0
70.43542	0.4
70.50654	0.5
71.50530	0.6
71.50868	0.4
71.60640	0.4
73.02897	0.6
73.06554	1.6
77.00917	1.2
79.05495	0.5
79.48750	0.4
79.51163	2.7
82.01399	0.5
85.00954	0.4
85.01392	2.1
88.51693	17.6
89.01742	4.6
89.51563	5.5
91.01970	1.7
91.05480	3.3
92.47394	0.6
97.02868	0.5
97.52225	3.0
98.02251	0.7
98.97599	1.8
98.98469	7.5
100.02473	7.6
100.52526	1.8
101.00876	4.0
101.02370	1.0
101.47930	0.6
102.00984	0.8
102.47880	0.4
103.00607	0.7
103.02442	9.9
103.03095	0.8
103.05434	0.7
105.07020	1.5
107.04942	0.6
107.54362	0.4
109.02960	0.8
110.48471	0.6
111.48337	0.6
111.53206	0.7
112.98737	0.8
115.02403	2.3
115.04140	0.5
116.01895	2.1
116.98647	4.6
117.03994	0.6
117.48769	0.8
117.76714	0.5
117.98546	0.7
118.03486	2.8
119.01919	28.3
119.04891	0.6
119.08552	1.2
119.48914	5.1
119.99006	2.1
120.01984	3.7
120.48863	1.4
121.01658	5.4
121.02413	0.6
121.02581	0.7
121.03477	7.9
121.99286	1.2
125.99226	8.4
126.49248	2.1
126.99063	2.4
128.49480	25.3
128.99515	6.8
129.49339	6.6
130.99734	9.8
131.01865	2.0
131.49753	3.2
131.99599	2.8
132.04987	0.6
133.01746	1.0
133.03468	23.8
133.05034	3.1
133.10110	1.1
134.02974	11.3
134.04814	1.4
134.99658	2.8
135.05005	0.4
136.04553	1.9
137.02957	11.3
137.50009	87.6
137.98451	0.6
138.00049	24.7
138.02957	2.1
138.49878	26.8
138.99940	2.4
139.02667	2.4
139.51064	0.7
140.00269	42.7
140.50317	12.6
141.00136	11.9
141.50204	1.0
142.03474	1.5
142.50580	2.4
143.03510	0.5
144.05049	0.8
145.03464	6.9
146.50543	1.5
147.00627	0.5
147.03343	0.6
147.04294	2.0
147.50391	0.7
148.03799	0.8
149.00809	100.0
149.50862	33.0
150.00693	34.9
150.06174	0.6
150.50699	2.6
151.02637	0.8
151.04524	14.1
151.06279	2.2
151.51068	7.6
152.01160	3.0
152.02194	0.8
152.03963	2.4
152.05832	0.8
152.50958	2.0
153.00761	0.7
154.09129	0.5
156.01546	0.7
156.05037	1.6
157.03589	2.1
157.04604	1.1
157.10069	0.4
158.01314	1.3
158.02972	1.1
158.51384	0.6
159.01189	0.7
160.04469	0.5
160.51619	9.8
161.01665	4.5
161.04677	0.7
161.51491	3.1
162.01590	0.7
163.01814	0.8
163.04550	3.2
166.04984	0.5
169.52147	1.3
171.01378	5.6
171.05038	1.2
172.02419	0.8
174.06094	0.9
174.97591	1.5
175.04494	41.4
175.06203	10.1
175.11145	0.7
175.14861	0.9
176.04341	2.1
176.05933	1.3
179.05975	0.6
189.02504	3.0
191.19150	0.5
193.05528	2.8
193.07321	3.2
194.02986	0.7
194.05081	1.0
194.06778	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.039
Annotation	Lawsone
Peak:m/z	Relative Intensity
50.01613	0.3
53.00309	6.5
53.03947	0.8
54.23837	0.3
59.44617	0.3
65.03938	8.4
70.66614	1.0
70.66977	0.5
79.05492	1.3
81.07113	0.3
91.05480	64.2
92.05804	1.4
95.04968	1.2
98.98476	1.0
101.75484	0.3
103.05473	4.8
104.06278	0.5
105.03401	0.7
105.07019	0.7
107.04962	0.8
115.05451	2.6
117.07008	1.0
118.04155	0.5
119.04941	39.3
119.08592	2.5
120.05260	1.0
123.04425	2.0
128.92529	0.3
129.06969	0.5
131.04935	2.4
131.08553	0.4
132.05681	1.4
133.10139	1.1
143.05026	0.7
144.05696	0.5
145.06506	1.0
147.04408	100.0
148.04720	2.5
160.05206	4.4
175.03915	15.9
175.07526	9.7
175.14825	1.3
176.04259	0.6
189.37492	0.3
193.04959	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	174.0761
Annotation	N-Acetyl-L-glutamate 5-semialdehyde
Peak:m/z	Relative Intensity
53.03937	1.1
55.01856	1.0
55.05492	1.4
56.05027	2.6
57.03433	13.3
57.91821	1.0
60.04523	43.5
61.02912	1.6
68.05015	4.3
69.03090	1.4
69.03431	17.4
69.07069	0.9
71.51682	1.3
72.93774	1.0
81.07039	1.4
83.04987	1.5
84.04504	34.0
85.02904	13.5
86.06066	3.5
89.03966	0.8
90.45875	0.8
91.03965	0.9
91.05475	10.0
92.81290	1.0
93.07027	1.0
96.04495	11.8
97.02888	100.0
98.03242	2.2
98.98462	15.0
101.27401	0.8
102.05545	7.7
104.06216	0.9
105.03394	1.8
105.07016	2.6
110.06060	1.0
111.04373	0.8
112.04764	1.0
114.05535	36.0
115.03909	7.2
115.05438	5.9
117.07007	3.2
118.07321	1.5
119.04942	1.6
119.08575	5.9
128.06192	2.3
129.07022	1.1
131.04907	2.2
131.08594	1.1
132.05698	3.3
132.06586	3.5
132.08102	2.1
132.81062	0.8
133.10127	4.7
138.05544	1.2
142.07823	1.3
143.05130	0.9
144.05692	1.3
145.06483	3.1
145.10138	1.2
146.06013	3.0
146.08171	1.1
146.10437	1.0
147.04405	5.8
147.08061	3.1
150.96916	0.9
156.06502	2.1
157.10059	1.4
159.04398	1.1
159.84364	0.9
160.05188	6.4
174.02689	9.0
174.07632	74.9
174.12834	3.2
174.18538	1.0
175.03918	2.9
175.07541	22.1
175.11220	3.3
175.14850	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	174.0761
Annotation	N-Acetyl-L-glutamate 5-semialdehyde
Peak:m/z	Relative Intensity
53.00304	1.1
53.03951	1.5
55.01875	1.4
55.05507	2.3
56.05035	4.5
56.05840	2.1
56.96564	2.1
57.03437	10.5
58.02984	0.9
59.06107	2.2
60.04524	43.0
61.02928	1.9
65.03928	0.9
68.05017	6.1
69.03423	15.3
70.06582	2.6
70.95872	9.6
70.96216	1.3
71.04989	0.8
71.83382	0.7
72.04505	2.0
72.93788	11.4
74.06114	1.1
75.05607	1.3
81.07049	1.0
82.06577	1.1
83.04991	2.1
83.06097	1.2
84.04502	29.2
84.05326	2.4
85.02907	14.2
85.04028	0.9
86.06060	3.3
87.04441	0.8
87.05585	2.0
88.03949	0.7
88.96894	1.5
90.94816	5.1
91.05474	14.1
91.94878	0.8
96.04492	15.0
96.08197	0.8
97.02887	100.0
98.03233	2.5
98.06046	1.6
98.98461	28.1
99.05598	1.0
100.03959	1.4
102.05544	8.6
102.06225	1.5
103.05491	1.2
105.03394	2.7
105.07023	1.3
107.33032	0.7
108.95855	1.8
111.04423	2.2
111.98467	5.6
112.04776	2.4
113.96431	1.0
114.05523	36.3
115.03917	10.2
115.05409	1.4
116.39951	0.7
116.99546	1.0
118.06536	4.1
118.07321	1.2
119.04932	6.0
119.08551	2.1
126.06623	3.2
128.07072	1.0
128.10654	0.7
129.99559	3.4
130.05759	1.0
130.06584	1.1
131.97458	3.3
131.99695	1.1
132.05678	1.2
132.06552	4.4
132.08084	2.9
132.95831	15.7
133.06091	0.9
138.05486	1.2
144.06590	1.0
146.06027	5.8
146.08081	2.0
147.04404	11.1
147.08044	1.0
149.98476	1.8
150.96881	39.3
155.97430	5.5
156.07423	2.8
160.05211	3.6
167.97156	2.1
168.97932	1.4
173.98503	9.2
174.05447	3.1
174.07597	75.9
174.12660	6.1
175.03941	5.1
175.07599	6.4
175.09729	1.1
175.11218	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.0762
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76771	0.6
50.77012	0.5
53.00313	1.0
53.03946	1.1
55.01878	1.6
55.05513	2.3
56.05049	3.8
56.05848	1.4
56.96567	1.2
57.03440	11.6
58.06623	0.7
59.05008	1.0
59.06131	2.0
60.04527	46.3
60.05651	0.7
61.02925	1.7
61.04865	0.6
65.03934	1.2
67.05518	0.8
68.05029	6.6
69.03432	17.8
69.04567	0.8
69.74339	1.1
69.74750	3.3
70.06591	3.2
70.95856	7.6
72.04522	1.3
72.08166	0.9
72.93790	9.8
73.02960	0.8
73.93840	1.0
74.06065	0.7
75.05614	1.4
75.95680	0.5
76.03968	0.7
82.06596	1.6
83.04975	1.7
83.06104	0.9
84.04508	36.3
84.05299	1.2
85.02906	15.6
85.03983	1.1
86.06067	4.8
87.04475	1.3
87.05606	2.3
88.07666	0.8
88.96920	1.7
90.94831	4.0
91.05486	10.8
95.05000	0.8
96.04500	15.8
97.02896	100.0
97.06543	1.4
98.03229	1.7
98.06077	4.1
98.21492	1.2
98.98469	19.3
99.05589	1.2
100.03999	1.1
101.06037	0.8
102.05553	7.1
102.06250	1.1
105.03388	1.9
105.07015	1.2
106.06548	0.7
108.95876	0.9
110.06012	0.9
110.09707	0.8
111.04441	0.8
111.05570	0.9
111.08073	0.7
111.98473	4.1
112.04794	2.5
113.96399	1.1
114.05534	39.8
115.03941	8.8
115.05426	1.3
115.08638	0.7
116.05007	0.7
116.07100	0.9
118.06533	1.3
119.04981	3.5
119.08568	0.7
126.05522	1.0
126.06629	3.1
128.05017	1.1
128.06062	0.6
128.07089	0.7
128.10678	0.8
129.06979	0.9
129.99493	2.7
130.05768	0.8
131.04999	0.6
131.08614	0.6
131.97435	1.9
131.99693	0.7
132.06586	4.1
132.08069	2.0
132.95860	10.5
133.10080	1.0
138.05493	1.5
144.08087	1.0
146.05992	2.9
146.08136	1.3
147.04413	6.9
149.96150	0.8
149.98492	1.4
150.00726	1.2
150.96893	30.8
150.98108	1.5
155.97414	3.5
156.06425	1.3
156.07536	1.5
160.05186	2.7
167.97168	0.7
168.97920	1.8
173.98503	6.5
174.05305	2.2
174.07611	74.8
174.12587	4.0
175.03928	3.6
175.07597	6.9
175.11163	0.7
175.14876	0.9
192.82378	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1326
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
53.03941	0.9
55.05512	10.8
57.03419	0.6
57.07066	2.3
59.04996	1.4
65.03926	0.7
67.05508	3.3
69.03420	0.9
69.07068	0.9
69.24272	5.1
71.05010	0.6
71.06099	0.6
72.93788	2.6
79.05482	2.8
79.64964	0.5
81.07050	4.6
83.04981	9.5
84.04513	0.6
85.06545	1.4
86.30376	0.5
86.97128	0.5
87.04457	1.0
89.02396	1.1
89.03903	0.6
90.94837	2.1
91.04902	1.0
91.05477	15.6
93.07046	2.2
95.04959	0.6
95.08592	1.4
97.02893	1.4
98.20676	0.9
101.06023	6.5
103.03268	0.6
103.05466	1.6
105.07027	12.6
105.07700	0.9
108.95876	0.5
111.04443	11.2
113.05971	0.7
115.05442	5.8
116.06258	3.0
117.07027	11.2
118.06566	0.7
119.08578	21.3
127.07557	1.1
128.06204	2.4
129.05540	2.7
129.06992	17.0
130.07787	5.1
130.68094	0.5
131.08565	69.4
132.08907	1.9
132.95848	0.6
133.06453	0.6
133.10129	2.2
141.06950	0.6
142.07802	0.7
143.08559	27.8
144.09352	12.4
145.06505	3.7
145.10123	45.1
146.10471	1.1
149.96115	0.6
150.96887	1.4
155.06012	0.9
155.07062	6.7
156.09315	1.5
157.10114	1.4
158.07329	0.8
158.10910	28.5
159.11314	1.0
171.11716	2.5
173.06075	2.4
173.08203	8.7
173.13258	100.0
174.07672	1.0
174.13660	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	173.1325
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
53.03932	1.4
55.05511	15.8
57.03429	1.0
57.07068	2.2
59.05008	2.9
67.05509	3.3
67.98610	0.6
69.03432	0.8
71.05006	0.9
71.06114	1.4
71.51258	0.9
71.57941	0.6
72.93806	3.0
75.65067	0.5
76.02229	3.7
79.05483	4.0
80.24097	0.6
81.03419	1.5
81.07051	4.4
83.04981	16.9
85.02908	0.6
87.04492	1.0
89.02406	1.1
90.90388	1.0
90.94821	2.6
91.05476	17.5
93.07047	2.1
95.04958	1.0
99.04465	1.1
101.06014	11.2
103.03280	6.0
103.05463	0.8
105.07027	14.4
107.08614	0.7
108.95869	0.7
111.04445	13.5
113.06003	2.4
114.05513	1.6
115.05418	3.2
116.06216	4.0
117.07023	14.2
118.06555	0.6
119.08585	12.1
127.07555	1.7
128.06227	2.3
129.05498	9.4
129.06998	11.7
130.07814	5.3
131.08565	95.6
132.08017	0.7
132.08929	2.8
133.10118	1.5
143.08554	20.8
144.09344	9.1
145.06485	1.8
145.10124	37.4
146.05986	1.5
146.08127	0.6
149.94075	1.0
149.96068	0.9
155.07025	11.6
157.10120	2.4
158.07280	1.8
158.10912	25.5
159.11302	1.0
167.97186	1.3
171.11693	1.5
173.02347	2.3
173.05997	1.2
173.08315	19.7
173.09758	3.4
173.13258	100.0
174.05525	1.4
174.13808	3.7
192.90610	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1325
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
50.03607	1.0
53.03937	2.9
55.05508	18.9
57.03424	1.3
59.04988	4.0
59.58482	0.9
60.04520	2.4
65.03938	1.4
67.05501	9.6
67.54066	1.0
69.03403	1.7
69.07051	2.1
69.76009	6.4
71.04987	5.6
71.06098	1.3
72.93788	9.1
76.02203	1.0
78.48045	0.9
79.05487	8.5
81.03396	1.2
81.07051	17.5
82.07395	1.0
83.04972	16.4
84.04498	1.0
85.06544	5.3
87.04411	1.2
90.94808	6.5
91.05475	35.1
92.05785	1.3
93.07024	4.3
95.04960	3.0
95.08598	12.9
96.04481	1.4
97.02893	4.3
97.06528	1.1
99.08059	1.2
101.06014	12.7
103.03313	1.6
103.05434	2.7
105.07031	26.7
107.08564	1.2
108.95866	1.2
109.02837	1.3
109.10139	2.2
111.04437	19.6
113.05984	2.7
113.96378	1.1
114.05549	1.4
115.05444	13.3
116.06261	7.4
117.07011	19.6
118.06538	2.3
119.08571	23.6
127.07545	1.9
128.06204	13.2
129.05539	7.6
129.07004	31.9
130.07794	7.7
131.08560	65.4
132.08882	1.6
133.06398	1.1
133.10130	9.6
141.06961	2.3
142.07761	3.9
143.08549	73.8
144.09367	15.7
145.06494	7.5
145.10112	34.6
146.05991	2.7
149.96120	1.4
150.96872	3.1
155.04962	1.4
155.06013	1.0
155.07051	12.4
156.09326	4.5
157.10089	3.6
158.10904	54.1
159.11298	2.0
167.97105	2.0
171.11707	1.8
172.03963	2.3
173.06015	6.6
173.08133	18.0
173.13251	100.0
174.05475	9.9
174.07622	2.6
174.13693	2.5
190.04936	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1326
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
51.84953	0.4
53.03945	1.0
55.01864	0.4
55.05510	8.3
56.96564	1.0
57.03445	0.6
57.07068	1.7
58.07413	0.8
58.25100	0.4
59.04994	1.4
65.03944	0.9
67.05502	2.5
69.03411	0.7
69.07073	0.8
70.96360	1.0
71.06115	0.7
72.93783	3.0
74.06066	0.8
74.07176	0.4
76.02206	1.1
76.07531	0.4
79.05492	1.9
81.03418	1.0
81.07056	1.7
83.04975	8.0
84.32041	0.4
85.06538	0.6
87.04473	0.6
88.07641	2.6
89.02382	0.4
89.03931	0.8
89.07960	1.5
90.90383	2.1
90.94840	2.6
91.05483	10.2
93.07049	0.8
95.04934	0.8
99.04471	0.6
101.06020	6.0
102.09172	1.0
103.03298	2.8
103.09537	1.0
105.07026	12.0
105.07700	0.8
108.95871	1.1
111.04443	8.2
113.05990	1.2
113.96401	0.6
115.05434	2.5
116.06256	2.2
117.06242	0.5
117.07025	7.6
117.15641	0.5
118.06611	0.7
119.07717	0.6
119.08578	11.7
120.08933	0.5
127.07578	1.3
128.06192	2.5
129.04509	0.8
129.05505	3.8
129.06996	10.8
130.07813	3.8
131.08565	75.9
131.97427	0.5
132.08070	0.6
132.08932	1.1
133.10126	2.4
141.06932	0.4
142.07764	1.5
143.08560	24.8
144.09337	9.1
145.06465	1.9
145.10123	25.9
146.06036	0.9
146.10484	1.0
149.55833	0.5
149.94052	1.8
149.96101	0.8
150.96912	0.7
155.03564	0.5
155.07033	5.6
155.08530	1.4
156.09346	1.4
157.10124	1.5
158.07294	1.7
158.10913	39.7
159.11571	3.0
167.97165	0.8
171.11676	2.3
172.48228	0.4
173.02354	8.6
173.05894	1.1
173.08313	9.1
173.09671	5.8
173.13260	100.0
173.17305	12.4
174.02690	0.7
174.05540	0.5
174.13693	3.5
181.96394	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.138
Annotation	(6E)-8-Hydroxygeraniol
Peak:m/z	Relative Intensity
53.03941	2.4
54.70001	0.9
55.01640	1.0
55.01876	15.8
55.05513	36.4
56.05019	1.8
56.96560	1.5
57.03450	6.5
57.04547	1.4
57.07075	5.3
59.05002	100.0
59.06134	1.7
60.04507	1.6
65.03929	5.4
67.05508	36.9
68.05022	2.1
69.03426	9.2
69.07069	78.6
70.06595	5.0
70.07408	1.4
70.94254	2.6
71.04984	8.8
71.06104	2.0
72.04517	21.7
72.08157	6.2
72.93786	2.8
73.06567	1.4
75.05611	1.2
78.07666	1.2
79.05497	31.6
81.03411	1.8
81.04539	1.2
81.07059	47.7
82.06573	2.3
82.07373	1.0
83.01337	1.0
83.04982	15.6
83.06080	3.9
83.08620	24.4
84.04480	1.4
84.08119	2.3
85.03967	1.2
85.06549	15.4
85.07680	1.1
86.06047	1.6
87.04469	31.2
87.05590	1.1
88.95295	3.8
89.07158	16.3
91.05471	14.8
93.07047	30.9
94.06568	1.0
95.04967	6.6
95.08609	69.6
96.08134	1.9
96.08929	1.3
97.02891	1.9
97.03992	1.4
97.05931	1.9
97.06531	33.8
97.07598	1.3
97.10162	3.5
98.06033	1.9
98.97585	1.5
99.05544	2.2
99.08067	2.9
101.05985	3.2
101.07098	1.5
104.03461	1.4
105.05502	1.9
105.07061	8.1
107.04946	2.3
107.08595	57.7
108.05574	1.1
108.08907	1.4
109.05811	1.7
109.06518	27.2
109.07638	2.3
109.10162	19.4
110.06060	1.4
110.07114	1.0
111.04446	8.9
111.08083	27.3
111.09221	6.3
112.05133	1.7
112.07596	1.6
113.05984	3.2
113.07143	1.8
113.09641	4.2
113.10776	1.4
113.96400	0.9
114.06649	2.5
115.03992	0.9
115.05535	4.8
115.07568	12.0
117.07018	1.6
119.06045	1.2
119.08552	1.1
123.08067	4.7
123.11700	14.7
125.02346	1.9
125.05972	4.9
125.07076	2.0
125.09629	11.9
126.05552	1.2
126.09129	1.8
126.10133	1.0
127.03934	1.1
127.07569	14.2
128.06241	7.9
129.06982	2.2
130.96332	1.2
135.08044	6.1
135.11671	12.0
138.06438	1.0
139.00264	1.2
139.03891	6.8
139.27017	1.0
141.06976	4.1
142.07819	1.2
143.05925	2.3
143.08536	8.4
143.10721	1.2
147.96834	4.9
148.97389	2.1
153.01814	1.0
153.09099	12.5
153.11603	1.5
153.12718	8.2
154.04893	1.2
154.08571	2.1
154.09721	2.2
154.13358	1.1
155.08537	1.4
156.09349	14.9
157.01326	3.5
165.97945	4.5
171.02885	2.4
171.04213	1.4
171.05469	2.7
171.07875	2.1
171.10110	11.5
171.11638	9.3
171.13785	16.5
171.14977	6.9
172.07484	2.4
172.09662	1.6
172.11052	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	169.0861
Annotation	3-(3,4-Dihydroxyphenyl)-1-propanol
Peak:m/z	Relative Intensity
53.03944	7.5
55.01854	4.6
55.05516	9.6
56.05024	1.4
57.03437	9.6
57.07066	2.7
59.04988	1.1
59.06115	2.8
65.03944	9.7
67.05504	47.1
67.23501	0.9
68.04296	0.8
68.05023	2.1
68.05843	0.8
68.99792	7.1
69.03429	8.5
69.07071	8.1
70.06585	4.9
71.04997	16.0
71.12264	2.3
72.08152	2.2
73.06542	1.1
79.05494	42.8
81.02932	1.3
81.03419	30.3
81.07057	75.5
82.06578	1.5
82.07365	1.5
83.04984	9.4
83.06113	1.4
83.08612	1.4
84.08144	2.9
85.02886	4.1
85.06548	14.4
85.07656	1.5
90.03460	1.1
91.05473	14.1
92.04997	1.5
93.03404	2.2
93.07042	12.1
94.06565	1.5
95.04970	34.8
95.08608	57.1
96.05768	0.9
97.02892	3.1
97.06517	5.7
97.07691	1.1
98.03685	4.6
99.04423	4.2
99.08094	11.7
103.05457	1.5
105.03378	1.0
105.04502	1.4
105.07034	23.1
107.04968	12.7
107.08601	9.4
108.02109	0.8
109.02883	33.0
109.06517	77.8
109.07682	3.3
109.10152	15.2
110.03685	1.8
110.06017	1.1
110.07294	1.7
111.00800	25.3
111.04444	15.7
111.05577	1.2
111.08089	9.0
111.09206	7.8
113.06005	2.4
115.05489	2.2
118.94389	1.0
121.06523	2.5
123.04440	11.8
123.08067	45.3
123.11700	8.9
124.07592	1.9
124.08511	2.5
125.02356	3.1
125.05984	7.1
125.09630	5.8
126.03141	34.6
127.03950	5.0
127.07550	4.1
128.95045	1.5
133.06503	3.3
133.10117	9.8
137.02339	3.6
137.05983	25.3
138.06400	1.4
139.03922	1.1
139.07538	38.7
140.07889	1.1
141.05461	100.0
141.06996	3.4
142.05859	2.0
151.03905	10.2
151.04982	1.3
151.07545	16.7
151.11177	9.7
152.08098	1.9
154.02638	4.9
154.07819	1.2
161.29105	0.9
163.97734	1.8
169.04974	41.2
169.07544	4.3
169.08742	22.9
169.10040	2.8
169.12288	3.5
169.14529	1.3
170.05734	1.0
170.08086	2.2
170.09628	2.8
177.39120	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.086
Annotation	3-(3,4-Dihydroxyphenyl)-1-propanol
Peak:m/z	Relative Intensity
52.84775	0.9
53.03937	5.7
55.01863	3.9
55.05507	8.8
56.96553	2.5
57.03422	2.3
57.07070	0.9
59.04985	1.5
59.06116	1.5
65.03931	5.8
67.05505	27.9
68.05016	1.5
68.99785	2.1
69.03414	4.8
69.07053	4.2
70.06588	1.5
71.04993	7.4
71.07360	0.9
73.99367	0.8
77.03923	0.9
79.05491	68.0
80.05817	1.4
80.06253	0.9
81.03413	16.5
81.07054	58.2
82.07357	1.1
83.04977	12.5
83.06082	1.5
84.04498	1.0
84.08122	2.2
85.02895	2.7
85.06535	2.9
85.07642	0.9
91.05482	9.2
92.04988	0.8
93.07038	12.3
94.06587	1.3
95.04963	44.9
95.08604	40.7
96.05248	1.3
96.08956	1.2
97.02890	2.1
97.06510	4.7
97.07572	0.9
98.03684	1.3
99.04452	3.2
99.08080	2.7
103.05431	1.4
105.03401	1.1
105.04529	1.4
105.07030	23.6
105.07699	1.5
107.04950	43.8
107.08569	5.6
108.05252	1.2
108.65003	0.8
109.02882	13.6
109.06516	100.0
109.10149	7.7
111.00796	11.5
111.04452	12.2
111.05572	1.1
111.08072	3.8
111.09199	5.7
113.05956	1.5
115.05416	0.9
121.06509	6.1
123.04422	10.3
123.08065	18.8
123.11703	5.3
125.02323	2.6
125.06018	6.5
125.06829	1.1
125.09647	1.4
126.03144	14.6
126.10266	1.6
127.03909	8.6
127.07558	1.9
133.06520	6.8
133.10133	2.5
137.05975	8.4
139.07530	33.8
141.05464	44.8
141.06941	3.4
141.09103	1.4
142.05826	1.0
147.40630	0.9
151.03918	10.1
151.07541	34.5
151.11183	4.5
152.07961	1.3
154.02570	1.6
155.03394	0.9
169.04979	23.5
169.06374	2.2
169.08659	25.1
169.09935	1.4
169.12244	1.5
170.09544	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.3
55.01877	3.8
55.05516	1.3
55.19010	0.6
56.05016	0.7
56.96564	18.3
57.03440	12.8
58.99860	4.2
59.04980	0.9
61.02932	6.2
65.03915	1.5
67.05505	3.3
68.02656	0.7
68.98280	1.6
69.03429	16.2
70.06594	1.2
70.57098	2.5
70.98112	1.1
70.99853	1.8
71.01334	1.1
71.05000	3.9
72.93793	0.8
73.02915	8.4
73.76205	0.7
74.97596	0.7
75.04468	0.8
77.00896	4.4
79.05488	2.3
81.03427	9.5
81.07049	2.8
82.01427	1.5
82.02663	1.1
82.03745	0.9
82.99864	1.3
83.01338	0.9
83.04984	2.0
83.06082	0.9
84.01584	1.1
84.08147	0.8
85.01402	2.0
85.02911	11.8
86.03702	1.2
86.99342	2.6
87.04471	1.4
88.02678	2.0
89.00850	2.2
91.05457	0.8
93.01965	2.0
93.07053	0.9
94.02662	3.2
95.01364	0.9
95.01913	1.5
95.04974	1.3
95.08601	1.8
95.53234	0.8
96.02436	1.6
97.02412	1.0
97.02895	24.3
98.97575	6.0
99.04456	3.6
100.02492	5.4
101.00881	27.5
101.02479	1.3
102.00979	2.6
102.02377	4.0
103.00636	2.3
103.02436	6.1
103.03186	2.1
104.01280	1.4
105.00375	2.7
105.01015	1.0
105.02165	0.8
105.02908	0.7
105.07033	1.5
106.02731	0.9
107.03397	1.4
107.05020	0.7
108.02380	0.9
109.02831	6.0
109.06501	1.8
110.01299	0.9
110.97579	1.9
111.00815	1.3
111.02105	1.5
111.02924	3.7
111.04449	1.8
111.09192	0.9
111.53066	1.1
112.99139	2.4
113.00860	1.7
113.02383	1.1
114.02431	1.8
115.02413	3.9
115.03189	1.4
116.03994	1.0
116.98615	4.3
118.01085	1.7
118.03563	4.0
119.01919	100.0
120.02014	8.0
120.03353	1.8
121.01663	8.9
121.03437	3.0
123.01363	1.1
123.02122	1.6
123.02907	1.5
123.04432	1.5
123.08054	1.1
124.03757	0.9
124.04674	1.4
124.08718	1.1
126.03122	2.6
126.98811	1.1
127.02400	4.3
127.03932	3.2
128.02417	0.8
128.98616	2.4
129.00362	1.6
129.03996	2.9
130.03732	0.8
131.00266	3.4
131.01906	14.3
132.01936	3.4
132.03445	1.7
133.01660	7.0
133.03435	11.0
133.04228	0.7
134.03580	1.4
134.06032	1.8
134.99648	2.1
135.03143	1.0
136.03693	1.2
137.02954	21.1
138.03259	2.2
139.02536	1.7
141.05470	8.9
142.03506	5.4
143.00359	0.7
143.01895	4.1
143.03596	0.8
144.99821	6.1
145.01651	2.0
145.03444	51.6
145.54243	1.7
145.99924	1.7
146.03636	8.3
146.99652	2.7
147.01401	9.6
147.03062	1.8
147.03972	3.9
147.05049	2.5
149.01222	4.5
149.02934	3.5
150.02991	1.3
151.02672	1.4
151.03925	2.0
151.04526	2.3
151.05861	1.8
151.07516	1.1
152.07037	3.9
154.04712	6.2
155.01910	2.6
155.03587	1.4
156.03326	1.1
156.05049	1.1
157.03459	9.6
158.03560	1.7
158.06708	0.7
158.99600	0.9
159.03239	1.4
160.04707	3.6
161.02979	4.8
162.03070	0.9
163.00905	0.9
163.02766	2.2
163.04546	10.1
164.04643	2.7
165.00710	0.8
165.02538	1.3
165.06139	0.8
167.02301	0.9
168.05116	2.1
169.03479	4.3
169.05127	6.0
170.02991	6.9
172.02234	1.2
173.02966	4.4
175.04510	6.6
176.04654	0.7
177.00681	0.9
185.02806	1.5
186.99335	0.9
187.02745	2.1
187.04506	6.3
188.04187	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0863
Annotation	DL-Phenylalanine
Peak:m/z	Relative Intensity
51.81905	0.2
56.96554	0.2
68.60044	0.1
68.68716	0.2
69.93876	0.1
71.46719	0.3
77.03918	0.2
79.05488	1.0
83.07413	0.1
86.21647	0.1
91.05463	0.7
92.20744	0.2
93.07043	2.2
95.04971	0.2
98.85658	0.2
103.05465	9.0
104.05788	0.2
107.04959	1.9
120.08102	100.0
121.08453	2.8
131.04916	2.3
148.03905	0.2
149.06001	0.6
166.05011	0.7
166.08620	1.1
167.07074	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0495
Annotation	2,6-Dimethoxybenzoquinone
Peak:m/z	Relative Intensity
51.82333	0.3
53.03943	1.1
55.01871	1.0
55.05505	0.8
57.03425	0.4
59.13828	0.3
65.03936	0.8
67.05508	2.6
68.05046	0.3
68.99796	3.4
69.82391	0.5
69.82805	1.0
70.38207	0.4
71.04997	0.8
79.05498	4.9
81.03422	1.6
81.07062	3.4
83.04976	1.6
85.02859	0.4
91.05491	0.7
93.03387	0.4
93.07034	0.9
95.04973	3.2
95.08624	2.2
97.02891	1.2
98.03680	2.7
99.04490	0.3
99.08134	0.4
99.09325	0.3
105.07016	1.9
107.04959	2.6
107.08606	0.6
109.02887	3.1
109.06516	3.9
111.00806	28.9
111.04468	1.5
111.08054	0.3
111.09193	1.0
111.29493	0.3
112.01132	0.4
113.06007	0.4
121.06504	0.4
123.04436	1.0
123.08077	1.0
125.02332	0.7
126.03136	32.8
127.03378	0.7
137.02361	0.4
139.07550	3.4
141.05464	100.0
142.05817	2.7
151.03894	1.3
151.07556	2.1
154.02541	0.4
169.04964	41.2
169.08670	1.3
170.05222	1.5
179.58438	0.3
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	3-Hydroxymandelic acid
Peak:m/z	Relative Intensity
51.02376	1.4
53.03758	0.6
53.03946	6.3
55.01857	2.1
55.05502	1.7
60.99213	0.6
65.03938	6.7
67.05505	45.5
68.05824	0.8
68.99780	2.5
69.03429	3.5
69.07063	1.3
69.73930	3.9
71.04972	1.1
77.03944	1.3
79.05069	1.2
79.05492	11.0
80.12871	0.6
81.03423	7.4
81.07053	6.0
85.02892	0.8
85.06549	1.5
90.19873	0.7
91.05513	0.7
93.07017	1.2
95.04967	43.7
95.08636	3.5
96.05309	0.8
97.02880	2.5
97.82808	0.7
98.03650	0.9
98.21499	1.1
99.00859	1.2
105.03408	4.3
105.04518	3.5
107.04982	3.3
107.08563	1.0
109.02871	11.6
109.06512	2.5
109.10132	1.9
110.06067	0.8
111.00784	7.9
111.04436	1.1
111.08081	1.3
111.09181	0.8
121.02800	0.7
123.04430	44.1
123.08030	1.1
123.11714	1.8
124.04752	1.9
125.02357	8.1
125.05976	0.8
126.03146	10.4
127.03872	1.1
133.02846	1.6
141.05460	30.5
151.03906	61.5
152.04219	1.9
154.02589	2.3
164.95290	0.7
169.04964	100.0
170.05257	3.5
174.88893	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0912
Annotation	2-Phenylbutyric acid
Peak:m/z	Relative Intensity
51.02377	1.7
53.03949	7.6
55.01867	3.2
55.05508	2.7
56.05031	0.5
57.03430	0.7
65.03944	4.0
66.04723	6.1
66.49813	0.4
67.05505	43.2
68.05050	0.6
68.05824	1.4
69.03414	1.6
69.07093	1.0
70.99968	1.0
71.00287	0.7
71.04969	0.6
72.84943	0.5
77.03925	6.1
78.04720	0.9
79.05493	30.0
80.05833	0.7
81.03413	3.0
81.04542	0.6
81.07056	18.0
83.06121	0.5
91.05481	48.8
92.05809	1.1
93.07047	14.5
94.04184	8.4
95.04967	34.6
95.08605	30.8
96.05296	1.0
96.08939	0.9
97.06526	0.7
101.00839	0.7
103.05486	2.3
104.06245	1.3
105.03392	13.5
105.04453	3.0
105.07033	9.7
107.04936	3.6
107.06097	0.5
107.08595	3.6
109.06514	17.2
109.10150	7.8
111.04450	0.6
115.05447	0.8
117.07019	7.6
119.01972	2.8
119.04939	7.1
119.08580	29.6
120.01979	0.5
120.08096	0.7
120.08897	1.1
121.02885	2.5
121.06494	3.3
121.10142	1.2
122.03649	8.9
123.04468	2.3
123.08073	2.9
124.08688	1.0
125.09450	0.5
129.07047	0.6
132.05701	1.4
133.02858	16.3
133.03802	0.6
133.06487	2.1
134.03191	0.6
135.04391	6.0
137.02957	1.3
137.05978	20.6
137.09608	5.6
137.94725	0.5
138.06325	1.0
142.03485	2.2
147.04413	11.2
147.08046	4.4
147.11598	0.8
148.04828	0.5
151.03894	0.7
160.04520	0.6
163.05055	0.4
165.01839	2.4
165.05473	100.0
165.09056	6.1
165.11462	1.2
165.12656	2.2
166.05896	3.0
166.76732	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0909
Annotation	Phenethyl acetate
Peak:m/z	Relative Intensity
51.02377	1.1
52.25219	0.6
53.03942	8.6
55.01869	6.0
56.05057	0.7
60.65976	0.6
65.03942	2.9
65.22151	0.6
66.04720	4.4
67.05497	6.3
69.03434	0.7
69.59504	4.8
73.67871	0.6
75.28396	0.6
77.03920	5.3
78.04705	0.7
79.05488	33.4
81.03424	2.0
81.07050	9.1
83.06101	1.3
85.49761	0.6
91.05473	25.2
93.03394	1.3
93.07034	4.3
94.04179	8.3
94.84538	0.6
95.04961	15.6
95.05979	0.7
95.08617	3.3
97.07646	0.9
98.21510	0.8
103.05464	10.6
105.03392	9.6
105.04469	3.2
105.07021	100.0
106.07378	3.0
107.04922	2.0
107.06098	0.9
109.02917	0.8
109.06510	13.7
109.07597	0.7
109.10159	1.4
109.63167	0.6
111.04453	0.8
115.05383	1.4
116.75787	0.6
117.07094	0.9
119.01923	2.1
119.04936	7.5
119.08581	5.2
120.08125	1.0
121.02885	0.9
121.06488	2.1
122.03630	12.1
122.07145	1.0
123.04423	2.8
123.08025	1.3
124.05202	3.2
124.08739	0.8
133.02838	11.2
133.06479	74.0
134.06830	2.3
135.04395	4.9
137.05966	83.9
137.09567	1.5
138.06334	3.0
138.10213	0.7
142.03494	2.1
147.04401	11.7
147.08043	1.6
148.08629	0.6
149.02312	1.1
150.06760	1.3
160.04562	0.7
165.05464	78.6
165.09103	16.7
165.11322	1.4
165.12740	0.6
166.05824	2.8
166.09601	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.091
Annotation	2-Phenylbutyric acid
Peak:m/z	Relative Intensity
51.02366	2.9
53.03944	13.6
53.79895	0.7
55.01869	4.9
55.05513	4.2
56.05037	0.9
58.06553	0.7
65.03928	4.6
66.04716	6.8
67.05500	11.3
67.63812	0.7
68.05019	2.0
69.03415	2.2
70.06570	1.3
70.50893	2.1
71.04984	0.9
77.03926	5.9
78.04700	1.2
79.05487	39.5
80.05019	0.9
80.05812	1.2
81.03420	4.7
81.04519	1.1
81.06614	1.0
81.07054	13.3
82.06586	2.0
83.04965	1.4
83.06088	2.5
85.07639	0.8
91.05474	92.8
91.51611	0.7
92.05797	1.4
92.34136	0.8
93.03388	1.1
93.07037	78.5
94.04178	9.3
94.07365	1.7
95.04961	27.8
95.05572	1.3
95.08600	4.4
97.06471	1.0
97.07619	1.4
101.00876	2.9
103.05445	4.8
105.03395	11.9
105.04485	5.6
105.07021	19.4
107.04954	4.9
107.08582	2.7
109.02889	1.0
109.05814	1.3
109.06512	18.2
109.07630	1.2
109.10129	4.8
117.07017	6.6
119.01919	8.4
119.04936	15.9
119.08574	39.8
120.08116	1.8
120.08875	1.3
121.02841	2.9
121.06493	4.5
121.10110	4.6
122.03632	11.7
122.07180	0.9
123.04420	4.2
123.08078	4.3
124.08691	1.2
129.06996	2.0
133.02837	12.4
133.06506	4.1
135.04425	7.2
135.08041	2.9
137.02925	3.0
137.05966	30.6
137.09613	7.4
138.10233	0.8
142.03482	5.2
144.12737	0.9
147.03253	1.0
147.04414	19.2
147.08047	11.9
148.08600	2.3
149.02345	3.4
150.03078	1.3
160.04552	1.7
165.05467	100.0
165.09108	28.8
165.11377	2.7
166.05794	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	165.0547
Annotation	Methyl benzoylformate
Peak:m/z	Relative Intensity
50.01583	0.7
51.02367	1.8
53.03716	0.9
53.03946	10.7
55.01853	2.0
57.46191	0.4
63.02356	0.5
63.19069	0.6
65.03931	1.3
66.04723	4.7
67.05484	1.6
70.64992	1.6
70.65367	0.6
77.03928	6.4
78.04688	0.9
79.05490	19.1
81.03417	1.2
81.07056	5.1
91.05480	25.4
92.05757	0.5
93.07037	6.6
94.04185	7.3
95.04375	1.0
95.04965	14.8
104.23458	0.4
105.03394	20.3
105.04472	4.5
105.07031	0.8
105.68765	0.5
107.04942	2.0
109.05804	0.9
109.06511	9.4
109.10108	0.6
111.04396	0.6
118.57607	0.6
119.04926	1.2
119.08577	0.6
121.02855	2.4
121.06498	7.5
122.03658	9.5
123.04416	1.8
130.40685	0.5
133.01848	1.1
133.02855	21.6
134.03259	0.6
135.04417	5.7
137.05972	17.0
137.09596	1.8
142.03575	0.5
147.04343	2.5
151.03885	0.6
165.05472	100.0
166.05801	1.8
176.38525	0.5
182.20432	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.091
Annotation	2-Phenylbutyric acid
Peak:m/z	Relative Intensity
51.02375	1.8
53.03946	9.8
55.01870	2.1
55.05509	3.3
56.05021	1.3
57.03430	0.5
65.03944	3.1
66.04720	2.0
67.05506	7.9
68.05030	1.4
69.03412	1.2
69.04538	0.5
69.07070	1.0
70.06582	0.9
71.02953	1.4
71.04993	1.6
76.27405	0.5
77.03926	3.5
78.04689	0.8
79.05489	25.7
80.05822	0.8
81.03418	4.8
81.04517	0.9
81.07053	9.1
82.06556	0.9
83.04974	2.6
83.06100	1.8
85.07683	0.7
88.49236	0.5
91.05478	70.4
92.05804	1.9
93.07038	100.0
94.04198	4.9
94.07349	2.6
95.04963	19.8
95.06020	0.7
95.08604	3.2
97.06516	0.7
98.07178	0.8
101.00873	2.1
103.05433	3.6
105.03396	7.1
105.04497	4.6
105.07021	14.1
106.07835	0.9
107.04977	2.6
107.06078	1.3
107.08575	2.2
109.06516	11.6
109.07629	1.2
109.10161	3.6
110.06884	0.6
111.04517	0.5
117.07007	4.7
119.01157	0.9
119.01929	10.2
119.04936	18.0
119.08574	32.5
120.01965	0.8
120.05371	0.5
120.08114	1.3
120.08914	1.2
121.02863	1.2
121.06511	3.5
121.07638	0.5
121.10108	2.9
122.03619	3.8
122.07192	1.3
123.04453	4.4
123.08065	3.0
123.11728	0.5
124.08671	1.3
125.09515	0.6
129.06982	0.8
133.02850	9.6
133.06465	1.0
135.04407	3.7
135.08044	2.5
137.03015	4.1
137.05972	23.5
137.09616	5.2
138.06395	0.9
138.10197	0.8
142.03499	7.0
142.96721	0.9
147.03241	1.0
147.04402	17.2
147.08038	9.0
147.11569	0.6
148.08594	1.6
149.02330	1.0
160.04488	2.4
165.05472	54.0
165.09102	20.2
165.11237	3.2
165.12733	1.4
166.05937	2.4
166.09659	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0546
Annotation	Methyl benzoylformate
Peak:m/z	Relative Intensity
50.01597	0.6
51.02385	2.5
52.02681	0.5
53.00312	0.5
53.03718	0.7
53.03948	11.8
55.01858	1.5
65.03940	2.2
66.04720	6.3
67.05495	0.8
70.38498	0.5
77.03926	6.8
78.04712	1.5
79.05494	17.7
80.05775	0.5
81.03414	2.3
81.07060	4.5
81.48000	0.5
83.08939	0.4
91.05485	25.5
92.05830	0.6
93.07045	4.9
94.04185	7.6
95.04970	16.7
105.03394	21.4
105.04451	4.4
106.03736	0.6
107.04946	2.0
109.06511	10.9
121.02863	3.1
121.06484	6.5
122.03651	9.5
123.04414	1.5
124.39635	0.5
133.02867	20.2
133.03947	1.2
135.04416	5.3
137.05980	17.4
147.72421	0.4
151.03899	0.7
156.15872	0.4
163.11092	0.6
165.05475	100.0
165.94437	0.5
166.05840	2.9
179.25818	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	2.1
52.89956	0.5
53.03950	11.5
55.01863	1.7
58.55029	0.4
60.94264	0.6
65.03938	1.5
66.04725	6.3
67.05503	0.7
69.57138	1.1
69.57550	2.5
70.45610	0.5
77.03927	4.7
78.04708	1.4
79.05495	18.3
81.03414	1.6
81.07050	5.1
91.05485	26.2
92.05811	0.6
93.07047	5.2
94.04188	8.6
95.04388	0.8
95.04971	16.2
105.03392	19.9
105.04469	5.2
107.04938	1.8
109.06520	11.1
113.76085	0.5
119.70985	0.4
121.02853	2.8
121.06512	6.0
122.03654	8.8
123.04462	1.3
133.02858	21.3
133.03839	0.9
134.03177	0.8
135.04414	5.4
137.05978	16.0
165.05476	100.0
166.05789	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	165.0546
Annotation	Methyl benzoylformate
Peak:m/z	Relative Intensity
50.01585	0.6
51.02377	2.0
51.35630	0.3
53.00297	0.3
53.03714	0.5
53.03945	7.6
54.65203	0.3
55.01858	1.4
61.02935	0.5
65.03957	1.5
66.04398	0.5
66.04724	7.0
67.05473	0.4
68.41750	0.3
70.89697	0.9
71.84801	0.4
77.03922	5.3
78.04712	1.2
79.05491	18.3
81.03409	1.5
81.07051	4.6
89.16633	0.3
90.00755	0.3
91.05480	7.8
93.07032	0.9
94.04189	7.9
94.05088	0.4
95.04963	10.1
96.39601	0.3
105.03393	11.5
105.04481	2.8
107.04945	2.1
109.06506	10.0
109.07264	0.4
121.02862	3.0
121.06491	1.2
122.03644	8.8
123.04410	1.0
130.93399	0.3
133.02853	11.6
133.03867	0.4
135.04407	4.9
137.05972	18.0
138.06281	0.5
141.79016	0.3
144.10104	0.3
151.03928	0.6
165.05470	100.0
166.05777	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0546
Annotation	Methyl benzoylformate
Peak:m/z	Relative Intensity
51.02369	1.5
53.00297	0.5
53.03719	0.6
53.03946	7.6
53.78209	0.3
55.01860	1.0
63.11855	0.3
65.03923	1.6
66.04723	5.4
67.05089	0.3
67.05490	1.6
69.03407	0.4
69.93451	2.2
77.03921	5.1
77.96880	0.4
78.04703	0.9
79.05492	19.2
81.03404	1.2
81.07058	4.6
91.05480	10.0
93.07029	1.2
94.04186	9.0
94.04774	0.5
95.04396	0.8
95.04967	11.6
105.03393	13.0
105.04453	3.1
107.04964	2.1
109.06512	11.7
119.01945	0.4
119.04882	0.5
121.02859	2.8
121.06497	1.0
122.03647	9.7
123.04412	0.8
125.49458	0.4
130.61609	0.3
133.02858	11.7
133.03870	0.6
135.04413	6.5
136.05870	0.4
137.05969	18.9
137.09616	1.2
138.70915	0.4
142.03537	0.5
147.04364	0.7
149.02332	0.8
165.05469	100.0
166.05806	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	165.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
64.06385	0.3
64.09566	0.3
64.28423	0.3
70.72263	0.6
76.89962	0.3
82.99832	2.3
98.45135	0.3
100.02480	1.1
101.00880	29.9
102.00944	1.8
111.14998	0.3
118.03542	0.5
119.01920	100.0
120.01997	5.7
121.02347	0.3
124.02433	4.0
137.02956	25.7
138.03070	1.2
139.03439	0.4
142.03499	51.8
143.03558	2.3
160.03212	0.7
160.04556	13.8
161.04707	0.3
165.05145	1.3
175.25250	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.051
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	0.8
71.34270	0.8
73.11971	0.4
82.01444	0.7
82.99827	2.5
85.62753	0.4
91.05456	0.6
100.02477	1.2
101.00875	28.8
102.00952	1.2
102.56765	0.4
112.36285	0.5
115.02392	0.5
118.03536	0.5
119.01913	100.0
120.01989	4.2
124.02450	4.8
124.93754	0.4
129.66347	0.4
137.02946	28.4
138.03049	1.2
141.67033	0.4
142.03490	63.3
143.03604	3.2
160.04552	20.9
161.04697	0.8
165.05215	2.7
183.06186	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1481
Annotation	Geijeren
Peak:m/z	Relative Intensity
51.02373	1.8
53.03936	5.0
55.01859	0.8
55.05513	8.9
57.07071	4.0
62.58009	0.8
64.47913	0.8
65.03939	1.9
67.05486	3.6
69.03421	1.2
69.07067	24.1
69.42440	5.3
69.42849	2.0
73.94297	0.8
74.71986	0.8
75.94060	0.8
77.03914	1.5
79.05492	21.9
81.07054	5.3
83.08611	8.8
89.03921	18.7
91.05473	16.4
92.05814	1.2
93.07042	25.6
95.04968	8.4
95.08620	5.2
98.20802	1.6
100.02481	1.0
103.05463	99.6
104.05784	2.8
105.03364	2.3
105.04491	3.0
105.07035	14.6
107.04952	17.0
107.08589	67.5
108.09373	2.8
109.06520	2.1
109.10155	2.1
115.05416	3.4
117.03376	11.9
117.06995	2.9
119.04945	2.3
119.05988	1.0
119.08574	8.7
120.05694	1.2
121.06493	1.6
121.10140	76.3
122.07152	1.6
122.09650	0.9
122.10470	1.7
123.08029	3.2
131.04924	100.0
132.05234	4.8
132.08052	1.8
133.02863	7.1
133.10144	0.9
135.04408	32.6
135.05441	1.8
135.08060	4.5
135.11681	20.0
136.04744	1.8
136.07584	11.0
136.08586	1.7
145.02837	8.9
145.03891	1.2
145.06482	1.7
145.10094	3.6
148.05182	1.9
162.65462	0.9
163.03899	48.7
163.07544	40.3
163.09779	2.5
163.11179	8.2
163.12193	0.9
163.14804	23.9
164.04248	3.1
164.07068	3.2
164.08194	1.5
173.90254	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01585	0.8
51.02379	2.3
51.78712	0.5
52.66930	0.7
53.03946	13.5
54.13284	0.6
55.01872	1.7
60.44801	0.7
65.03928	1.9
66.04721	6.6
70.64413	1.9
73.34814	0.6
77.03524	0.9
77.03930	7.6
78.04693	1.5
79.05490	19.8
81.03419	2.3
81.07058	5.4
91.05481	30.1
92.05831	0.6
93.07031	6.5
94.04186	10.8
95.04968	18.0
96.22926	0.6
99.04576	0.6
105.03395	21.9
105.04477	4.7
107.05009	1.4
109.06524	9.1
121.02877	3.4
121.06515	6.1
122.03646	9.7
123.04403	1.9
133.02853	23.9
134.03230	0.8
135.04408	6.6
137.05980	17.3
137.46626	0.6
165.05478	100.0
166.05768	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	163.0753
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
51.02369	0.3
51.90973	0.3
52.75410	0.4
53.03939	1.7
55.01867	0.3
58.34045	0.3
65.03943	0.9
68.99799	0.7
69.07096	0.6
70.64616	0.6
70.65014	0.7
77.03936	0.9
79.05487	2.8
81.07081	0.4
89.03920	2.6
91.05460	2.1
93.03430	0.9
93.07067	1.5
95.04972	2.0
95.06053	0.4
100.80251	0.3
102.04652	0.4
103.05467	79.9
104.05802	2.2
105.03426	0.4
105.04525	0.9
105.07030	1.8
107.04958	4.8
107.08587	2.9
115.05442	0.5
117.03368	2.5
117.07014	0.7
119.05045	0.3
119.06094	0.3
119.08572	0.4
120.05760	0.5
121.06496	0.4
121.10149	2.1
130.06590	0.4
131.04927	100.0
132.05260	3.4
132.08035	0.3
133.02844	1.0
133.06577	0.4
135.04416	6.0
135.08051	2.0
135.11662	0.5
136.07555	0.7
137.21489	0.3
145.02867	1.9
145.03838	0.4
145.10083	0.5
148.05200	0.5
163.03908	9.9
163.07541	41.7
163.11115	1.6
163.14848	0.6
164.07922	1.3
180.06982	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0754
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
51.02370	0.3
53.03938	0.5
69.08966	0.2
71.29764	0.2
71.30096	0.3
77.03940	0.7
79.05488	1.2
81.07071	0.2
85.30740	0.2
89.03919	2.8
91.05484	0.9
93.07034	0.4
95.04969	1.3
102.04662	0.4
103.05462	83.3
104.05794	2.9
105.04508	0.4
105.07008	0.7
107.04953	3.3
107.08585	0.6
113.75088	0.2
115.05442	0.3
117.03359	2.6
117.07021	0.4
119.04918	0.2
120.05730	0.3
121.06503	0.2
131.04922	100.0
132.05249	4.0
135.04405	4.7
135.08025	1.2
145.02847	1.8
145.10149	0.3
148.05150	0.4
163.03905	5.6
163.07533	44.6
164.07906	2.1
166.16315	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0754
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.5
52.32822	0.3
53.03942	1.1
65.17417	0.3
66.85213	0.3
69.71015	0.6
69.71423	1.1
73.75024	0.3
77.03913	0.7
79.05492	2.4
80.98783	0.3
81.07050	0.4
89.03919	7.6
90.04246	0.3
91.05482	0.8
93.07063	0.6
95.04964	1.3
102.04670	0.5
103.05465	76.8
104.05798	2.6
105.03390	0.4
105.04584	0.4
105.07029	0.9
107.04948	5.3
107.08591	0.9
109.38782	0.3
115.05445	0.6
117.03378	6.4
117.06984	0.4
119.04946	0.3
120.05701	0.6
121.10161	0.8
122.07110	0.4
123.62531	0.3
129.82275	0.3
131.04926	100.0
132.05249	3.4
133.02846	0.7
135.04413	13.0
135.08038	2.1
136.04742	0.5
143.74553	0.3
145.02841	5.2
145.03883	0.6
145.10121	0.7
148.05199	0.7
161.85938	0.3
163.03908	14.1
163.07541	44.3
163.11201	1.0
164.04298	0.7
164.07939	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1481
Annotation	Geijeren
Peak:m/z	Relative Intensity
53.03927	3.3
55.05237	1.0
55.05508	14.2
57.07079	5.9
60.39346	0.9
65.03936	1.9
67.05486	4.1
68.78024	0.8
69.03425	1.3
69.07066	34.5
69.27774	3.5
69.28197	6.3
77.03925	1.9
79.05076	1.5
79.05494	19.5
81.07042	4.1
83.08617	14.2
89.03921	9.6
91.05480	16.4
93.07040	34.1
94.41933	0.9
95.04955	4.7
95.08609	7.0
103.05461	39.4
104.05822	1.9
105.03430	1.1
105.04539	1.2
105.07022	19.2
107.04954	10.9
107.08588	91.0
108.09361	3.8
109.06517	4.6
109.10151	3.5
117.03353	7.4
117.07022	1.7
119.04893	1.0
119.06035	1.2
119.08584	9.6
121.10140	100.0
122.10437	2.8
123.08047	4.9
130.07845	1.1
131.04922	42.3
132.05267	1.3
133.02806	2.5
133.07564	1.4
134.10889	1.5
135.04420	17.6
135.08023	3.3
135.11681	26.3
136.04758	1.6
145.02797	5.7
145.10123	3.8
163.03899	26.8
163.07552	15.9
163.09860	1.4
163.11168	5.2
163.14818	34.8
164.04289	2.0
164.07028	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0753
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
50.05910	0.2
51.02387	0.3
51.56460	0.2
53.03954	1.6
55.01868	0.7
65.03951	0.7
68.99791	0.3
69.03430	0.4
69.07069	0.4
69.26917	2.6
77.03927	0.9
79.05497	4.7
80.15543	0.3
81.07060	0.4
85.02920	0.4
89.03919	1.5
91.05489	2.7
93.03421	0.5
93.07045	1.6
95.04964	2.9
95.06116	0.5
95.08638	0.4
102.04673	1.7
103.05470	90.5
104.05795	2.8
105.03413	0.7
105.04530	0.8
105.07026	1.8
106.06516	0.4
107.04956	10.3
107.06058	0.6
107.08598	2.4
115.05470	1.1
117.03378	1.2
117.07019	1.6
119.04957	0.7
120.05685	0.8
121.06548	0.7
121.10133	1.1
122.07186	0.7
123.07925	0.3
128.34869	0.3
130.04137	2.5
130.06551	0.4
130.50552	0.2
131.04932	100.0
132.05254	4.4
132.08066	0.6
133.02827	1.4
135.04417	5.1
135.08046	2.4
135.11708	0.7
136.08656	0.5
145.02827	1.0
145.06500	0.5
145.10104	0.6
146.07051	0.4
147.04420	0.3
148.05197	7.3
163.03912	12.0
163.07550	28.4
163.09775	1.5
163.11192	2.1
163.12288	0.4
163.14847	0.4
164.04283	0.5
164.06851	0.5
164.07957	0.9
175.68622	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0753
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
51.02388	0.8
53.03952	2.4
55.01868	0.7
55.05515	0.7
58.31604	0.5
58.74623	0.5
63.02388	0.5
64.67944	0.4
65.03937	1.3
67.05489	0.8
69.03427	1.4
69.07079	0.8
69.67924	1.9
69.68356	1.3
77.03923	0.6
79.05492	9.4
81.04551	0.9
81.07030	0.7
85.02896	0.9
89.03916	21.4
90.04242	0.7
91.05478	4.8
92.02605	0.7
92.09236	0.5
93.03342	0.8
93.07030	3.0
95.04969	5.2
95.06069	1.1
96.06918	0.5
97.07674	0.6
98.20872	0.7
99.44402	0.6
103.05465	84.7
103.61082	0.5
104.05787	2.9
105.03391	1.6
105.04509	1.2
105.07042	3.0
106.06557	0.5
107.04955	11.8
107.06061	1.2
107.08581	4.6
108.05484	0.4
109.02869	0.5
109.06485	0.8
114.72108	0.4
115.05450	1.1
116.64431	0.5
117.03380	15.4
117.06989	2.5
119.04903	0.8
119.08570	0.8
120.05687	0.7
121.06479	1.0
121.10153	1.4
122.03632	0.5
122.07160	2.0
123.07946	1.2
130.06514	1.2
131.04924	100.0
132.05261	3.8
132.08040	0.6
133.02870	2.9
133.06564	0.6
135.04410	35.9
135.07990	3.9
135.11693	1.5
136.04755	1.0
136.08713	1.9
145.02850	12.1
145.03903	0.7
145.06453	1.5
145.10104	2.2
146.07123	0.8
163.03900	48.9
163.07544	28.5
163.09773	3.0
163.11186	4.8
163.12349	0.8
163.14833	0.7
164.04272	1.9
164.06909	0.9
164.08112	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0389
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
51.02374	0.6
53.03953	1.6
55.01851	0.4
63.02370	0.8
65.03920	0.5
69.80125	1.9
77.03922	0.7
79.05491	5.8
81.07039	0.6
89.03917	23.5
90.04224	0.4
91.05484	1.4
93.07013	1.0
95.04944	2.4
97.52211	0.3
98.21492	0.6
101.19864	0.4
102.04629	0.4
103.05463	88.8
104.05784	2.2
105.03394	0.4
105.04510	0.6
105.07022	1.1
107.04949	10.1
107.08607	1.6
109.06580	0.4
117.03375	18.7
117.07047	0.8
118.03710	0.8
119.04948	0.6
119.29800	0.4
120.05714	0.5
121.10117	0.9
131.04922	100.0
132.05199	2.7
132.08080	0.4
133.02846	0.8
135.04407	31.7
135.08025	2.7
136.04739	1.1
145.02850	12.5
145.03963	0.8
145.06445	0.6
145.10123	0.5
146.03194	0.4
148.05188	0.8
148.71675	0.4
158.05969	0.4
163.03905	27.6
163.07536	42.2
163.11075	1.8
163.14737	0.6
164.04312	0.9
164.07887	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1324
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	0.6
51.81900	0.5
53.03952	4.1
54.39581	0.6
55.01861	3.5
55.05507	7.1
58.05138	0.5
65.03924	0.8
66.04686	0.7
67.05491	1.5
69.03429	0.9
69.07064	2.4
69.62587	4.4
77.03946	0.8
79.05489	21.9
80.05827	0.8
81.07062	2.3
91.05475	19.3
93.04542	0.8
93.07038	2.8
93.16122	0.6
95.04980	4.6
102.04677	1.4
103.05466	17.8
104.05737	0.8
105.03391	1.3
105.07027	81.0
106.06673	0.7
106.07365	2.4
107.04910	0.8
107.08615	1.9
113.02330	1.1
115.05450	11.3
115.06191	1.1
117.07008	4.8
118.04160	10.4
119.04978	3.0
119.08575	100.0
120.08116	0.6
120.08876	3.0
121.06428	2.4
121.10156	2.6
124.34389	0.7
128.06224	1.8
130.04149	3.4
131.04904	4.5
131.08585	3.6
132.05763	1.6
133.03043	0.8
133.06488	22.0
133.10127	21.5
134.07016	2.0
134.91510	0.6
143.04958	0.9
143.06046	2.0
143.08586	1.9
145.10037	0.7
146.03615	5.9
146.07237	2.6
147.04425	5.4
159.11668	1.1
161.05971	88.3
161.09570	10.3
161.13251	25.1
162.06532	4.5
162.13730	0.8
181.35521	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1325
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03940	0.5
55.01855	0.3
55.05510	6.0
55.29791	0.2
56.96557	0.7
60.88338	0.3
67.05501	0.9
69.07069	2.7
69.34362	1.5
69.34782	0.5
76.20723	0.2
79.05066	0.4
79.05497	3.1
81.07050	0.9
82.80553	0.2
85.02890	0.4
86.75723	0.2
88.90291	0.2
91.05479	8.8
92.05833	0.2
93.07038	1.8
93.07585	0.3
95.04958	0.7
99.03063	0.2
103.05466	2.7
104.06258	0.4
105.07028	23.4
106.07304	0.5
107.08588	1.8
115.05441	2.4
117.07019	2.8
118.04164	2.5
118.07787	0.2
119.08578	100.0
120.08914	3.3
121.06433	0.4
121.10149	3.1
123.08086	0.2
129.07019	0.4
130.21349	0.2
131.04941	0.7
131.08551	2.8
133.06497	3.1
133.10127	18.2
134.10464	0.5
143.08560	0.5
146.03616	3.0
146.07333	0.4
146.10895	1.0
147.04437	0.4
159.11688	1.2
161.05984	8.6
161.07289	0.5
161.08266	0.4
161.09627	2.9
161.13257	23.2
162.06589	0.3
162.13605	0.9
177.00664	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.3
55.01862	1.0
55.05494	0.3
55.99427	0.2
58.56211	0.2
58.65371	0.2
59.14863	0.3
63.28379	0.2
69.03432	7.8
69.33082	0.4
69.33488	2.0
71.57049	0.2
75.47151	0.2
79.05499	1.6
81.07041	0.4
82.85591	0.3
91.05482	3.5
93.07039	1.3
95.04966	0.3
103.05468	1.5
105.03387	1.0
105.07034	17.0
106.06575	0.4
106.07356	0.7
107.05026	0.3
107.08647	0.3
115.05459	1.7
117.07028	1.3
118.04147	0.8
119.04964	0.4
119.08581	3.1
119.95734	0.4
121.06482	1.1
128.06235	5.4
131.04930	1.4
131.08557	1.0
132.05728	1.5
133.02858	1.2
133.06487	3.1
133.10136	5.1
138.02470	0.2
143.08559	7.2
144.08928	0.3
145.06494	4.3
146.03603	1.4
146.07280	4.6
159.08066	4.4
160.08426	0.5
160.54155	0.2
161.02353	0.7
161.06068	2.1
161.09619	100.0
161.13185	2.1
162.05527	0.8
162.09982	4.6
167.67039	0.3
183.84059	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0596
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
51.02382	0.3
53.03947	1.8
55.01876	3.1
56.96560	0.7
64.97683	0.3
66.04716	0.8
69.03419	0.3
69.38219	1.4
69.38645	1.4
71.44444	0.3
77.03935	0.6
79.05492	11.6
80.05796	0.3
80.83191	0.3
81.07047	0.5
84.58149	0.2
85.02903	0.6
85.28707	0.3
89.03922	1.0
90.04710	2.3
91.04980	0.6
91.05483	5.0
95.04973	2.8
96.05329	0.4
102.04693	0.5
103.05464	14.1
104.06317	0.5
105.04506	0.9
105.07028	53.9
106.07346	2.2
107.04951	0.8
115.05452	14.0
118.04157	23.7
119.04945	1.0
119.08598	2.2
121.06444	1.0
128.06252	0.4
129.07010	1.2
130.04114	0.4
131.04926	9.0
131.05943	0.4
131.08563	0.9
132.05690	1.2
133.06488	24.9
133.10109	1.8
134.06877	0.6
143.06018	2.7
143.08516	0.4
146.03629	10.3
146.07259	2.1
147.04263	0.4
161.05975	100.0
161.09590	11.9
161.13268	1.7
162.06403	3.3
162.09947	0.5
162.22897	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.4
55.01865	0.9
55.05500	1.3
67.05493	2.1
69.03096	0.7
69.03430	7.6
69.07042	0.9
70.96815	0.8
73.50857	0.3
77.03939	0.5
78.93115	0.8
79.05494	3.6
81.03407	0.5
81.07053	2.4
91.05479	11.4
93.07050	4.4
95.04952	1.0
95.08595	0.9
103.05457	1.7
105.03390	0.7
105.07029	44.0
106.07346	1.6
107.04938	2.2
115.05440	2.4
116.06194	0.4
117.06242	0.5
117.06983	2.4
118.04167	1.3
118.06553	0.6
118.07781	0.7
119.04913	1.2
119.08577	13.1
119.95750	0.5
121.06505	13.0
121.07383	0.7
128.06207	6.5
131.04932	2.3
131.08566	2.2
132.05681	1.3
133.06485	4.3
133.10123	25.6
134.05978	0.6
134.06918	0.4
134.10458	1.4
141.06984	0.4
143.08540	8.5
145.06461	3.3
146.03638	2.7
146.07263	26.5
147.07593	0.6
159.08084	1.0
161.06015	4.3
161.09612	100.0
161.13228	10.9
162.05511	1.2
162.09975	5.2
162.13585	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0597
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
50.21102	0.4
51.02380	0.4
53.03955	3.3
55.01873	5.0
55.05505	0.7
59.06122	0.4
65.03914	0.5
66.04711	0.9
69.38139	4.0
70.49320	0.4
77.03931	1.1
79.05495	18.3
81.03456	0.5
81.07047	0.8
83.11833	0.4
89.03899	0.4
90.04712	1.4
91.05482	7.8
93.07043	1.6
95.04971	4.8
97.02950	0.5
98.21503	0.6
102.04681	0.5
103.05468	21.0
105.07030	100.0
106.07348	3.2
107.04948	1.4
107.06088	0.4
115.05454	20.5
117.07050	1.0
118.04163	12.3
119.08582	6.2
121.06391	1.2
128.06194	0.5
131.04932	3.8
132.05673	0.8
133.06490	44.5
133.10114	4.6
134.06850	1.3
138.72554	0.5
143.04956	0.9
143.06036	5.5
143.08557	1.6
146.03629	13.5
146.07277	1.3
147.04352	0.5
161.05983	23.9
161.08255	1.1
161.09601	8.1
161.13242	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	161.0597
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
51.02371	0.5
53.03948	2.2
55.01868	4.4
65.03918	0.4
66.04712	1.3
67.62354	0.3
70.93444	1.1
77.03922	1.0
79.05492	19.2
89.03909	1.4
90.04696	4.4
91.05483	4.1
92.02612	0.7
92.47765	0.3
94.04189	0.7
95.04970	4.1
98.49310	0.3
102.04678	0.5
103.05466	24.2
104.05772	0.6
105.07027	100.0
106.07352	3.1
107.04970	0.9
115.05451	29.6
116.05790	0.9
118.04160	19.2
119.08573	0.7
131.04933	5.5
132.05704	1.1
133.06487	49.9
134.06830	2.2
143.04939	0.6
143.06010	4.5
146.03584	0.7
161.05974	11.3
161.09569	0.5
177.00894	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0596
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
51.02388	0.6
53.03938	3.6
55.01871	6.0
65.03917	0.8
66.04702	1.1
69.51233	4.6
69.51591	0.8
77.03912	1.1
79.05489	25.8
80.30012	0.5
80.32241	0.6
89.03945	0.7
90.04675	1.9
91.05471	10.8
93.07056	1.3
95.04961	5.5
103.05461	24.1
104.06249	1.0
105.03396	0.8
105.04516	1.6
105.07024	100.0
106.07365	2.5
107.04961	1.5
115.05451	22.6
116.05762	1.3
117.07030	4.1
118.04153	19.8
119.04980	4.0
119.08556	3.6
121.06467	1.3
128.06233	1.1
129.06970	0.8
131.04926	10.4
131.08556	1.1
132.05669	1.7
133.02878	0.7
133.06487	34.5
133.10115	3.2
134.06848	0.8
143.04941	1.3
143.06029	4.0
146.03630	8.0
146.07283	1.8
161.05972	92.2
161.09592	10.7
161.13210	3.2
162.06367	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0597
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
51.02380	0.5
53.03944	3.0
55.01870	4.1
55.05503	1.4
64.71895	0.4
66.04726	1.2
69.03419	0.6
69.07057	0.6
70.54793	0.9
70.55181	0.7
76.81325	0.4
77.03915	1.0
79.05492	18.5
81.03424	0.4
81.07044	1.4
89.03922	0.9
90.04705	2.8
91.05479	9.7
92.02597	0.5
93.04497	0.5
93.07040	0.9
94.04142	0.6
95.04962	4.0
98.21480	0.5
102.04675	0.7
103.05465	25.1
104.05788	1.1
105.03394	1.8
105.07029	100.0
106.06721	0.6
106.07349	3.1
106.70721	0.5
107.04950	1.8
107.08582	0.4
107.51847	0.4
113.02386	0.5
115.05452	30.1
116.05780	0.8
117.07033	0.7
118.04160	20.5
119.08572	7.5
120.05605	0.6
121.06445	1.4
128.06262	1.1
131.04913	6.1
131.05862	0.6
131.08537	0.7
132.05669	1.2
133.06488	46.5
133.10115	6.3
134.06897	1.5
143.04929	0.9
143.06047	4.9
143.08565	1.3
146.03632	6.2
146.07251	2.1
147.04375	0.6
161.05977	30.6
161.08191	0.9
161.09601	10.5
161.13245	5.3
162.06477	1.2
176.42503	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96573	0.3
58.99856	0.3
70.95232	0.7
82.01469	0.3
82.99824	1.0
98.97588	0.5
99.24044	0.3
99.97867	0.3
100.02487	1.2
101.00875	18.7
102.01060	0.3
116.98693	0.4
118.03505	3.7
118.27722	0.3
119.01915	100.0
120.02047	1.4
121.01652	0.4
121.02439	0.4
124.02437	2.1
136.02797	0.5
136.04555	2.6
137.02948	37.1
138.03053	0.4
139.55493	0.4
142.03491	32.6
143.03661	2.0
149.00795	0.3
150.18105	0.3
160.04549	29.7
161.02960	1.8
161.04619	1.3
165.05122	1.0
178.05597	9.6
179.04012	4.5
179.05638	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0295
Annotation	Unknow
Peak:m/z	Relative Intensity
62.37608	0.2
69.88776	1.0
75.74568	0.2
82.99818	1.2
86.55603	0.2
98.21408	0.2
100.02480	0.6
101.00882	19.6
102.00953	1.5
102.96922	0.2
103.00661	0.3
116.98649	0.2
118.03525	0.7
119.01921	100.0
120.02007	6.8
120.03266	0.2
121.01651	0.9
121.02406	0.4
124.02448	0.5
126.02313	0.3
137.02956	37.3
138.03036	2.4
142.03520	3.5
143.01941	0.4
143.03641	2.7
144.03262	0.9
145.48869	0.6
160.04570	0.8
161.02956	3.4
161.04842	1.7
161.09608	0.3
162.03052	0.2
162.04320	0.8
179.04005	5.8
179.05576	0.6
180.48958	0.2
184.04486	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0297
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98651	0.5
56.96558	0.6
58.99865	0.6
70.03768	2.1
70.04118	0.6
82.01447	1.1
82.99838	1.2
84.08102	0.7
88.51684	1.2
89.51595	0.9
91.00694	0.5
100.02469	3.1
101.00880	19.5
101.02588	0.5
101.52444	1.2
102.00975	1.4
102.02227	0.6
102.51412	0.6
103.00634	1.1
103.01433	0.8
103.02474	1.0
103.51314	1.0
105.50414	0.6
109.52209	1.4
114.51387	0.7
115.02328	0.5
116.51134	0.8
117.51056	0.8
118.03503	1.0
119.01920	100.0
120.01995	7.9
121.01652	1.0
122.52991	0.8
123.51923	0.9
124.01087	0.8
125.51692	2.2
126.01768	0.8
131.01891	1.3
133.01648	3.5
133.51695	0.9
134.01546	0.6
134.99886	1.4
137.02960	41.0
137.51657	1.7
137.99812	0.7
138.03104	2.6
138.96382	2.7
142.03494	3.8
143.03679	2.4
144.01697	0.6
144.03239	0.9
144.05077	0.6
144.52538	0.5
145.48904	0.5
146.52187	1.4
147.01381	2.0
149.02876	0.7
153.01053	0.8
156.97466	18.0
157.03438	0.7
160.04587	1.3
161.01611	0.9
161.02940	2.8
161.04608	1.9
174.98547	17.0
177.00963	2.6
178.01012	0.6
179.02515	1.5
179.04028	5.2
179.99100	5.2
180.02568	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.0439
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.9
53.00308	1.7
53.03944	5.6
56.96564	0.9
66.43083	0.4
67.56389	0.3
69.73736	0.8
69.74149	1.7
77.03923	1.3
78.82003	0.4
79.05493	0.5
81.03426	0.7
88.58022	0.4
91.05510	1.8
95.04968	7.6
97.35725	0.5
98.97563	3.2
102.04662	2.9
103.05461	100.0
104.05171	0.6
104.05779	3.5
105.04543	2.4
105.07041	1.1
115.05458	0.8
116.06200	1.2
116.98592	1.9
117.07031	0.7
129.07014	0.9
131.04922	72.5
131.08559	2.4
132.05226	3.3
134.99617	0.5
141.01817	0.7
144.05672	1.1
144.09322	1.4
149.05992	1.3
159.04405	36.9
159.07980	1.9
159.11653	4.3
160.04967	1.5
177.05463	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	159.0441
Annotation	1,2-Naphthoquinone
Peak:m/z	Relative Intensity
50.00531	0.3
50.01604	0.5
51.02394	0.8
53.00312	1.4
53.03949	5.7
56.96563	0.5
58.06641	0.2
69.64737	2.0
77.03915	1.7
81.03414	0.5
91.05488	1.1
95.04374	0.6
95.04971	9.4
98.97585	1.0
102.04684	2.2
103.05468	100.0
104.05805	3.3
104.50652	0.3
105.04516	2.9
105.07017	0.4
115.05483	0.6
116.98621	0.7
117.07007	0.7
118.06571	0.3
121.06493	0.3
124.96581	0.3
129.07001	0.9
131.04930	75.2
131.08580	1.2
132.05269	3.0
141.01874	0.3
144.09328	0.8
149.05998	1.2
159.04416	34.2
159.05415	1.4
159.11694	3.1
160.04709	1.5
175.03922	0.3
177.05461	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	159.1167
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
53.03925	1.0
55.05503	0.9
57.03398	0.7
57.98922	0.7
65.03925	0.9
67.05481	3.0
70.06575	1.7
70.87209	2.4
76.93363	8.5
78.41494	1.0
79.05489	2.2
81.07060	2.1
89.64487	0.8
91.05466	13.5
94.94379	3.0
103.03226	1.2
103.05458	13.5
105.07025	21.7
113.02360	3.3
114.09199	0.9
115.05425	4.3
116.06201	3.7
117.07008	29.9
117.95977	6.9
118.06528	1.4
118.96777	1.1
119.08567	8.7
128.06195	0.8
129.06992	15.3
130.07794	7.9
131.04933	9.9
131.08559	53.5
132.08893	2.1
135.97025	5.3
137.35768	0.9
141.01808	7.6
141.06990	1.1
142.07784	1.5
143.08589	1.5
144.05666	1.7
144.08214	1.1
144.09338	21.7
157.10088	4.5
158.98602	1.6
159.04453	5.6
159.06935	1.1
159.08093	14.1
159.09077	2.1
159.10191	3.2
159.11678	100.0
160.09619	1.0
160.11961	5.2
177.05360	0.8
178.89131	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05537	0.5
56.05061	1.1
56.76179	0.4
56.96564	5.5
57.04586	1.1
57.93596	1.6
58.01491	1.4
58.99895	0.9
59.06150	0.5
67.05537	0.5
69.07095	0.8
70.06611	0.9
70.49416	1.0
70.49785	0.7
70.95914	1.2
71.95304	1.0
72.04536	0.6
72.93803	0.8
74.93829	3.2
75.94667	0.5
76.02531	1.0
77.00943	1.0
79.05500	0.7
82.01488	1.2
83.05005	1.3
83.06149	0.7
87.05602	0.6
91.05524	0.5
92.94891	0.8
93.07072	0.6
98.00929	0.7
98.97585	28.2
99.05618	0.6
100.02477	7.3
101.00876	3.5
101.02537	0.9
102.00987	0.8
103.02449	0.8
107.04987	0.5
109.02895	1.1
111.04451	0.6
111.05594	1.2
115.02425	1.2
115.03579	0.7
115.96421	2.3
116.01955	17.1
116.02757	0.9
116.03771	0.8
116.97325	5.2
116.98616	28.8
117.02089	0.7
118.03520	20.2
119.01921	21.8
119.03727	0.7
120.02023	2.8
121.01677	1.6
121.03526	0.6
123.04151	0.5
129.03963	1.5
132.05045	1.2
132.95793	0.7
133.01656	1.5
133.02559	0.8
133.03519	7.1
133.04433	1.3
133.05214	3.0
133.52966	0.6
133.97470	1.3
134.02985	100.0
134.04767	7.0
134.99654	20.2
135.01233	0.6
135.03117	3.3
136.04552	14.0
137.02960	8.9
138.03069	1.1
139.03731	4.6
140.00208	1.2
141.03889	0.4
141.05081	1.2
142.03479	2.6
142.07742	0.8
145.56842	0.6
147.05020	1.5
148.03862	1.3
150.06122	0.5
150.96844	1.6
151.04565	2.0
151.06276	2.6
151.97064	1.5
152.02200	1.2
152.04030	18.9
152.05814	4.8
152.96912	2.1
153.00714	3.9
153.04207	0.9
157.03481	1.4
157.04570	22.5
158.01273	1.5
158.02962	2.8
158.04707	1.3
158.09552	1.4
159.06079	0.4
160.04543	1.2
161.02882	0.5
170.97972	0.7
175.04265	0.8
175.05620	5.8
176.04022	5.0
176.05553	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.0506
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98456	0.2
55.01867	0.6
56.96563	1.6
57.03444	1.5
58.99859	0.8
60.99603	0.4
61.02926	0.5
69.03436	0.3
70.95858	1.2
70.99859	0.3
71.51028	0.3
72.08146	0.4
72.93788	1.0
73.02908	0.5
74.09718	2.0
77.00910	0.7
78.52962	1.3
81.03416	0.5
82.01453	0.9
82.99818	1.4
83.01529	0.4
83.04995	0.3
84.01537	0.4
85.01410	0.6
85.02900	0.4
87.00833	0.3
87.20605	0.3
87.53485	0.5
92.52699	1.0
95.01340	0.7
95.06081	0.4
98.97581	0.4
100.02477	6.4
101.00877	19.9
101.02562	1.8
101.53230	0.8
102.00970	1.3
102.02278	0.7
103.00597	0.4
103.02445	3.0
105.00350	0.3
110.07162	3.4
114.00964	0.6
114.04043	1.7
115.00605	0.5
115.02402	2.2
117.01918	0.3
117.82974	0.3
118.03532	3.5
119.01920	100.0
120.02003	5.4
121.01608	0.6
121.02350	0.7
121.03480	1.8
124.02417	2.7
124.63913	0.3
127.03865	0.3
129.99524	0.3
130.06311	2.3
131.01920	2.4
132.01996	5.5
132.05060	2.8
132.95828	0.6
133.01651	3.3
133.03468	11.8
133.05116	0.5
134.03671	0.7
137.02956	37.2
138.03073	2.1
142.03497	45.7
143.03610	2.1
145.03435	0.5
146.99667	0.3
147.01385	0.5
149.02951	0.5
150.03076	1.4
150.06119	0.9
150.96895	2.1
151.02699	0.9
151.04514	4.4
151.06285	0.3
154.03638	0.5
155.03629	0.4
156.02191	0.3
156.04158	8.3
156.10146	0.4
157.03438	0.4
160.04558	14.8
161.02943	0.6
161.04741	0.6
165.05060	2.2
174.03122	0.8
174.06094	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27396	0.3
55.01880	2.4
55.05513	0.7
55.93531	0.5
56.05048	2.5
56.96305	0.6
56.96568	9.3
57.03439	3.3
57.04541	0.4
58.99860	1.2
59.52181	0.4
60.04533	0.4
60.95845	0.5
61.02911	1.1
67.01881	0.4
67.05493	0.6
68.05030	0.5
69.03425	1.3
69.07056	0.8
70.06577	0.5
70.95871	4.4
70.98116	1.0
70.99846	0.4
71.04981	0.7
71.51488	0.4
71.95259	0.5
72.08145	0.6
72.93797	3.2
73.02911	2.2
74.06087	0.7
74.97615	0.6
77.00900	0.8
77.21645	0.3
78.52971	4.4
79.03027	0.4
79.05498	0.6
81.03453	0.6
82.01056	0.3
82.01445	2.5
82.06570	0.7
82.99844	1.6
83.01511	0.4
83.04974	0.3
83.06113	0.8
84.04468	0.6
84.08152	0.4
84.96016	0.4
84.99257	0.9
85.01390	0.9
85.02899	1.2
85.06647	0.3
85.51911	0.5
86.06068	1.0
86.52683	0.4
87.02853	0.5
87.53485	1.1
88.03506	0.4
88.96899	1.1
89.00859	0.5
90.94830	0.8
91.02492	0.7
91.05500	0.4
92.52700	2.1
95.01311	2.5
95.04976	0.7
97.01411	0.4
97.02885	0.5
97.07610	0.4
98.06046	0.4
98.07169	0.4
98.09719	0.4
98.97607	1.9
99.04452	0.6
100.00108	0.7
100.01983	0.2
100.02486	11.2
101.00881	20.6
101.02573	1.4
101.53212	1.1
102.00961	1.6
102.02283	0.5
103.00642	0.6
103.02439	3.7
107.53195	0.4
109.02866	0.6
109.52917	0.4
110.07172	4.2
110.09678	1.3
111.04420	0.6
111.98476	1.3
112.07612	0.4
113.00868	1.0
113.53168	0.6
114.00919	0.6
114.03069	0.3
114.04030	2.3
114.05506	0.4
115.00617	0.6
115.02431	5.5
115.04183	0.5
116.98616	1.1
117.01849	2.5
117.03996	0.4
118.01145	0.6
118.03515	6.0
119.01925	100.0
120.02010	4.9
120.03270	0.4
121.01652	1.0
121.02448	0.5
121.03476	1.4
124.02486	2.4
125.02529	0.4
128.08206	0.9
128.98672	0.4
129.04053	0.5
129.99503	0.6
131.01917	4.3
132.02040	3.7
132.05072	7.8
132.95830	4.8
133.01732	5.3
133.03474	27.0
133.05186	1.7
134.02869	2.1
134.99661	0.7
136.04561	0.7
137.02960	33.7
138.03041	2.1
138.04005	0.8
138.05490	0.6
139.02582	0.5
139.03966	0.4
139.05023	0.5
141.04997	0.5
142.03503	40.3
143.01961	0.4
143.03615	2.2
144.05075	0.4
144.99838	0.9
145.03436	1.0
146.99699	0.5
147.03769	1.6
147.04942	0.8
149.01245	0.5
149.02986	1.3
150.03023	1.0
150.06129	4.0
150.96870	8.1
150.97931	0.5
150.99072	0.5
151.02719	0.8
151.04539	7.3
151.05782	0.5
151.06326	0.7
154.03499	0.5
155.99667	0.5
156.02116	0.9
156.03166	0.9
156.05075	5.7
156.06390	0.7
156.07651	0.4
156.08920	0.8
156.10211	3.3
156.11273	0.5
156.13826	0.6
157.03484	1.5
157.04588	0.5
160.02301	0.7
160.04555	12.9
160.97688	0.4
161.02989	1.3
161.04675	1.0
165.05031	1.9
168.01457	1.1
168.99794	0.4
169.58638	0.4
173.98517	0.7
174.00720	0.6
174.03055	1.5
174.06148	6.4
174.98911	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.0421
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26363	1.2
55.01869	1.6
58.44419	1.0
70.30832	2.4
70.31197	2.6
74.09357	1.8
74.09721	20.9
75.56903	1.0
84.80287	1.5
95.04951	1.7
96.96912	4.5
100.02470	1.7
103.02436	1.7
110.05996	1.3
110.07153	3.3
112.05247	2.8
115.02441	1.2
118.03531	1.3
119.01904	2.7
120.01964	1.6
121.03490	1.6
130.06300	27.9
131.01924	2.3
132.02002	8.1
133.01651	4.2
133.03467	8.1
150.03059	2.4
150.96863	1.2
151.04582	1.9
156.04214	100.0
174.03194	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.0188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.5
55.05523	0.7
56.96556	4.5
57.03430	2.9
58.99859	4.0
67.01888	0.5
67.05494	0.9
68.98285	0.9
69.03421	2.3
69.96178	2.7
70.06588	0.5
70.32168	2.0
70.95861	2.7
70.99855	2.5
71.94115	0.8
72.93790	7.2
73.02928	1.2
77.00899	2.7
78.52956	2.3
79.05523	0.5
80.89166	0.6
81.03422	1.1
82.01438	9.8
82.99841	1.1
83.01527	0.6
83.05004	0.9
85.01400	1.5
85.02892	1.1
86.52707	0.7
87.53511	0.8
89.00887	1.0
90.94821	1.5
92.52714	0.8
93.01981	0.6
94.99774	0.8
95.01336	1.0
95.01952	1.1
95.04989	1.2
95.06075	1.3
96.06425	1.4
97.02894	2.4
97.53304	0.5
100.02476	37.5
101.00874	27.2
101.02544	2.0
101.53203	0.6
102.01051	0.6
103.02431	5.5
105.00392	0.7
109.02895	1.5
109.52937	0.9
110.06033	0.7
111.02941	0.5
111.98537	0.6
113.00853	15.2
113.05996	0.7
113.96404	2.5
114.00960	1.4
114.02415	0.6
114.04005	3.6
115.02429	2.8
118.01139	1.3
118.03515	19.1
119.01913	100.0
120.02056	2.2
121.01614	1.2
121.03484	2.0
123.04045	1.6
124.02468	2.5
128.02240	0.7
130.06300	0.6
131.01898	89.8
131.96150	5.6
131.97371	1.2
132.01944	8.9
132.05057	9.8
132.95819	2.9
133.01630	2.1
133.02460	1.0
133.03456	17.9
136.02298	0.7
137.02950	28.6
138.09100	0.6
141.05075	1.4
142.03493	31.7
145.03456	2.1
146.99571	0.7
149.01190	1.3
149.02953	17.5
149.97186	7.6
150.03116	1.9
150.06094	5.5
150.96873	4.4
151.04501	4.8
154.03490	4.6
155.01889	7.3
155.03471	1.6
155.06981	0.9
155.13719	1.2
156.04103	3.3
160.04552	10.1
165.05164	0.9
167.98132	0.6
172.95300	0.6
173.01663	0.5
173.02966	11.8
174.03168	1.1
174.06030	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.0189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	4.2
55.05495	3.1
55.93520	1.2
56.96555	6.5
57.03435	4.2
58.99590	1.6
58.99860	4.8
61.02919	1.1
61.30123	1.0
63.38367	0.8
65.03941	1.9
67.01858	0.9
67.05499	3.1
69.03423	2.5
69.96169	4.9
70.06580	1.6
70.95863	3.7
70.99859	1.1
71.04997	1.4
71.49653	1.7
71.94096	2.6
72.93790	8.9
73.02907	2.6
73.33508	0.8
77.00893	3.1
78.52977	4.5
80.02937	0.8
81.03387	2.3
81.07047	2.5
82.01432	4.2
82.05358	0.8
82.06585	1.2
83.01400	1.0
83.04990	4.7
83.06109	1.1
85.02886	2.1
86.06055	3.3
87.53463	1.2
87.75362	0.9
88.96920	1.0
89.00930	0.9
90.94841	2.3
92.52701	3.2
93.04527	0.9
94.02669	1.3
94.99838	1.0
95.01311	2.5
95.01921	1.3
95.04952	2.6
95.06096	1.9
96.04499	1.8
96.06391	1.8
97.02881	2.3
98.97574	1.1
99.04463	2.1
100.02474	28.1
101.00875	18.9
101.01521	1.7
101.02451	1.0
101.53201	2.1
103.02438	3.9
105.00362	0.9
107.01920	1.0
107.53210	1.4
109.02898	1.2
109.06505	1.8
109.10139	0.9
110.07153	10.1
111.04438	3.5
113.00861	12.7
113.02422	0.9
113.06019	2.6
113.96384	2.8
114.00957	1.4
114.04055	4.1
115.02451	3.4
117.01832	1.4
118.01085	1.8
118.03522	17.9
119.01917	88.1
120.02012	3.0
121.01653	1.6
121.03420	2.4
123.04195	1.4
124.02449	1.9
127.03896	4.1
127.07662	1.0
128.98611	1.1
129.03989	1.2
129.99509	1.1
131.01903	100.0
131.96141	10.5
131.97440	1.8
132.01950	13.6
132.05054	14.4
132.95808	4.8
133.01668	3.8
133.03458	14.4
136.04555	1.3
137.02959	29.5
137.93527	0.8
138.09137	1.9
141.01765	1.2
142.03496	32.2
144.99840	1.2
145.03461	3.7
147.01384	0.9
149.02948	27.0
149.97194	19.1
150.03111	3.9
150.06134	10.8
150.96872	10.8
151.02647	1.7
151.04549	4.6
154.03497	4.0
155.01888	8.7
155.03467	5.3
155.07014	6.7
155.13733	1.5
156.05070	3.1
160.04558	11.2
165.05051	1.2
167.98244	1.3
168.01442	1.2
172.98895	1.6
173.02971	13.6
173.04535	1.3
174.06067	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.1
55.01865	0.6
55.05509	5.9
56.05018	0.9
56.05840	0.5
57.03404	0.4
57.06799	0.4
57.07076	6.8
58.06582	0.4
59.05009	0.3
60.21944	0.3
61.25263	0.3
65.03931	0.9
67.05511	2.7
68.05011	0.9
68.05813	0.4
68.96327	0.6
69.03419	1.1
69.07057	1.3
69.58695	2.0
70.06588	1.1
71.01376	0.3
71.04984	1.5
71.94090	0.8
72.04520	0.4
72.93790	10.3
79.05499	3.2
80.05024	0.4
80.05816	1.1
81.07055	10.5
82.06580	1.5
82.07365	0.4
83.04977	1.5
83.07366	0.7
83.08615	1.7
84.04475	0.4
84.08144	0.8
85.02905	0.5
85.06545	2.0
90.94814	2.2
91.05502	0.7
93.03428	0.5
93.05781	0.8
93.07033	0.5
94.03681	0.3
94.06562	0.4
94.07388	0.4
95.01328	0.5
95.04967	3.3
95.06081	0.9
95.08601	2.3
96.04494	0.8
96.05301	2.2
96.08118	0.7
97.05278	3.4
97.06534	0.4
98.06046	2.3
98.09689	1.6
98.10228	0.4
99.04440	0.8
99.08076	0.5
99.09192	0.3
104.11245	0.3
108.04461	0.6
108.05275	0.5
108.06264	0.7
108.08139	3.3
108.08844	0.4
109.06518	6.3
109.07633	1.0
109.10148	1.6
110.06053	4.2
110.06808	0.5
111.04429	1.4
111.06850	3.8
111.08067	0.5
111.09114	0.4
112.01620	0.4
112.04774	1.1
113.05984	0.7
113.07163	0.4
113.10719	0.3
113.96400	4.9
123.00809	0.5
123.04433	1.0
124.07610	1.9
125.08350	0.9
126.05563	0.6
126.06348	1.0
126.09193	3.1
127.03903	1.1
130.96326	0.4
131.97446	4.0
133.08131	0.5
136.07556	1.3
136.08531	0.5
137.02342	0.5
137.06013	0.6
137.09422	0.4
137.13246	0.4
138.05478	0.7
139.06277	4.6
139.07533	1.8
140.04718	0.4
142.06073	0.3
145.09877	0.5
148.97331	0.8
149.97177	0.4
152.07074	0.6
154.08627	100.0
155.03368	0.8
155.07124	2.0
155.09009	3.7
155.10201	0.5
155.13083	0.4
155.14340	0.8
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
52.57710	0.7
53.03930	3.3
55.01860	2.8
55.05276	1.2
55.05513	13.7
57.03434	7.1
57.07060	2.4
59.04991	1.1
65.03937	23.6
66.04250	0.8
66.55537	0.7
67.05139	2.0
67.05501	38.4
68.05813	1.0
69.03438	6.2
69.07063	53.3
69.83001	1.7
69.83417	4.3
70.07401	0.9
70.94241	6.2
70.95856	0.8
71.04995	5.6
71.94091	12.6
71.95238	4.3
79.05488	43.1
80.05798	1.7
81.03403	1.9
81.07051	40.9
82.04187	1.3
82.07375	1.8
83.04980	13.1
83.08604	6.9
85.02906	1.6
85.06532	1.4
88.95281	1.1
89.95104	1.3
91.05478	8.5
93.03403	7.8
93.07037	58.0
94.07346	2.3
95.04958	5.9
95.08604	21.7
97.02892	2.2
97.06524	27.7
98.20840	1.0
105.04514	1.6
105.07032	2.1
107.04962	5.7
107.08584	57.0
108.04533	1.0
108.08919	1.3
109.02860	0.8
109.06493	3.6
109.10149	34.9
110.03658	4.7
110.10467	1.3
111.04450	41.8
111.08076	11.7
111.11723	1.5
111.96866	3.3
112.04029	0.9
112.04765	2.4
112.96738	3.8
121.02913	1.0
125.02349	2.1
125.05992	21.8
125.09609	2.0
126.06316	3.3
129.97865	3.2
130.97736	2.0
133.10150	1.1
134.05945	1.1
135.04411	2.8
135.08051	3.1
135.11684	100.0
136.03871	2.0
136.07541	1.2
136.12007	4.0
138.03136	1.5
138.05037	2.3
148.97385	1.6
153.01823	2.3
153.04352	1.9
153.05481	18.9
153.07430	6.7
153.09105	6.1
153.12730	84.3
154.04941	4.8
154.13081	3.5
154.15845	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0567
Annotation	Guanine
Peak:m/z	Relative Intensity
53.03947	0.3
55.01868	0.4
55.02988	0.7
55.05496	0.4
56.96302	0.2
56.96561	2.4
57.03422	0.9
57.13424	0.2
58.99847	0.3
61.02909	0.3
61.76931	0.2
63.55048	0.2
65.03942	1.0
67.05489	0.3
69.03418	0.8
70.69134	0.6
73.02904	0.4
77.00871	0.2
79.05475	0.7
79.25947	0.2
80.02502	0.2
80.05019	0.3
80.05813	0.6
81.03392	0.6
82.04063	0.7
83.04974	0.3
85.01402	0.5
85.02888	0.9
88.02654	0.3
91.02458	0.3
91.05491	0.3
93.03403	0.5
93.07015	0.2
95.04957	0.6
96.05286	0.5
97.02873	1.6
97.06505	0.3
98.97576	0.7
100.02489	0.5
101.00874	0.4
103.02457	2.1
107.03539	0.6
107.04965	0.5
108.08099	0.5
109.02827	0.3
109.03508	0.2
109.05116	2.0
109.07606	0.2
110.03522	10.9
110.97574	0.8
111.04435	1.5
114.04126	0.2
115.02432	1.0
116.98610	0.3
117.04023	0.3
118.00990	0.2
118.03541	0.4
119.01884	1.8
120.02016	0.3
121.01678	0.3
121.03479	1.2
121.82560	0.2
124.01896	0.2
124.04777	0.2
125.05994	0.6
128.04561	5.6
128.98618	1.3
129.00310	0.3
129.03964	0.9
131.01952	0.4
133.02596	0.2
133.03404	1.3
134.04604	1.4
134.06056	0.5
135.03020	16.4
135.05029	1.3
135.09134	0.4
136.01433	0.3
137.02884	0.5
142.03423	0.2
143.01918	0.4
145.03433	0.4
146.99654	1.1
147.01413	2.3
147.03149	0.2
147.05023	2.6
148.05142	0.2
152.05667	100.0
153.04073	35.2
153.05307	1.2
153.05997	1.5
154.02495	1.0
154.04430	0.4
159.05063	0.3
161.02971	0.3
161.05394	0.2
161.06612	0.4
165.00720	0.3
165.02400	0.5
165.06105	0.7
170.02963	1.1
171.05092	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0909
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62915	0.1
53.03935	0.3
55.01862	0.2
55.05510	0.9
57.03414	0.2
65.03940	2.7
67.05505	3.9
68.05836	0.2
69.03423	0.4
69.07056	0.5
69.80630	0.2
69.81036	0.6
71.04992	0.4
71.95110	0.1
72.07223	0.1
79.05490	2.0
81.03414	0.3
81.07053	1.3
83.04975	1.1
86.97591	0.1
91.05490	0.8
93.03403	0.7
93.07040	1.4
95.04964	100.0
96.05289	2.5
97.06506	0.6
98.21531	0.1
105.04562	0.1
107.04958	0.6
107.08606	0.8
109.06515	1.2
109.07646	0.1
109.10137	0.2
111.04469	1.2
111.08073	3.7
115.05474	0.1
117.07018	0.2
121.02840	0.2
125.05973	0.7
125.09644	0.2
135.04419	0.2
135.08052	0.6
135.11665	0.2
138.03091	0.2
153.04362	0.3
153.05481	1.1
153.09093	1.8
153.10225	0.2
153.11407	0.3
153.12704	0.2
154.08591	1.0
154.09676	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0411
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00304	0.4
53.03941	0.8
54.03462	0.3
54.04271	0.6
55.01875	1.3
55.02981	0.3
55.05505	2.6
55.14550	0.2
56.05029	0.7
56.96559	43.4
57.03430	3.9
57.07069	18.1
57.97328	0.2
58.06587	0.2
58.07403	0.7
58.25912	0.2
59.04980	0.6
60.02147	0.3
60.95861	0.2
61.02920	2.0
65.03935	10.5
66.04263	0.7
66.39465	0.2
67.05497	28.0
68.05027	1.2
68.05833	3.2
68.96552	0.3
69.03423	6.8
69.04530	0.3
69.07057	1.0
69.75654	0.9
70.03759	0.4
70.06594	1.4
70.94255	0.3
70.98098	0.2
71.01347	0.6
71.04966	1.0
71.95261	2.9
72.04526	0.2
72.96044	0.5
73.02908	7.1
74.00228	0.2
74.97586	1.2
75.01029	0.6
77.00784	0.4
79.05484	4.9
80.02059	0.2
80.05012	0.7
80.05814	3.0
81.03410	3.6
81.04544	0.6
81.07054	3.5
82.04111	0.4
82.06568	0.8
82.07387	0.3
83.00791	0.5
83.01316	0.3
83.04981	2.7
83.06076	1.0
84.01575	0.4
84.04514	0.4
84.05293	0.6
84.05760	0.6
84.08131	0.4
84.96030	4.0
85.02896	8.2
85.06532	8.9
86.03219	0.3
86.03698	0.3
86.06850	0.3
87.04001	0.2
87.04440	1.0
89.00777	0.4
89.02576	0.8
90.01562	0.6
91.03948	0.4
91.05456	1.1
92.01258	0.3
92.05791	1.0
92.98604	0.3
93.03384	1.7
93.07028	1.3
94.02898	0.2
94.06546	0.9
95.00751	0.2
95.01318	0.4
95.02573	0.3
95.04965	2.9
95.06076	0.7
95.08606	0.6
96.01536	0.7
96.04575	0.3
96.05276	3.2
96.08087	1.0
96.51708	0.2
97.00508	0.3
97.02879	7.8
97.06526	1.1
97.07032	0.2
97.07139	0.2
97.07646	1.4
97.96803	0.5
97.99210	0.3
98.01252	0.4
98.03104	1.2
98.97572	100.0
99.04436	0.8
99.97900	2.2
100.02489	0.2
100.97174	0.3
100.98009	0.3
101.00771	0.3
101.02413	0.3
102.02247	0.3
102.53103	0.2
102.97055	1.0
103.00433	0.2
103.02392	0.6
104.01260	0.5
105.02110	0.2
105.03402	0.2
105.04501	0.4
106.03712	1.0
106.06561	0.7
106.07356	0.6
107.04949	3.7
107.06054	0.5
107.08580	1.0
108.03351	0.7
108.04470	0.5
108.05291	0.4
108.08098	0.6
109.02872	1.4
109.05190	0.3
109.06499	0.8
109.07647	2.3
109.10163	0.5
109.52013	0.2
110.01263	1.1
110.03577	3.6
110.06048	0.4
110.06847	0.2
110.08405	0.3
110.51422	0.4
110.97559	4.0
111.04432	9.8
111.05521	0.3
111.08056	0.5
111.09202	1.2
111.53632	0.6
112.04790	0.3
112.06374	0.3
112.07625	0.9
112.09971	0.6
113.05855	1.0
115.00690	0.4
115.02399	0.5
115.97855	0.5
116.03086	0.4
116.20222	0.2
116.98607	81.6
117.98956	1.6
118.98220	0.2
118.99021	0.3
119.01814	1.4
119.03608	0.2
119.52007	0.4
120.05286	0.5
121.03512	0.4
121.52080	0.2
122.03053	0.5
122.07130	0.2
123.03731	0.4
123.04488	0.4
124.03933	0.3
124.04764	1.0
124.07565	1.0
124.08526	0.4
124.99076	0.2
125.02370	0.2
125.03596	0.3
125.05976	3.0
125.07043	0.3
125.10716	0.3
127.03901	1.5
128.02278	0.9
128.04533	0.7
128.52483	0.3
128.98596	8.1
129.03964	0.6
129.98875	0.2
130.08649	0.5
130.51480	0.2
130.52554	0.3
131.00150	0.8
131.01833	0.3
131.03510	0.2
133.01697	0.2
133.03432	0.2
133.98853	0.2
134.05991	1.1
134.07065	0.8
134.99640	46.0
135.03032	0.7
135.04372	1.0
135.05354	0.4
135.06760	0.2
135.08022	0.5
135.09160	1.2
135.11594	0.3
136.00029	1.1
136.01401	1.3
137.01181	0.2
137.02783	0.2
137.05960	0.3
137.53085	0.3
138.03056	0.4
138.23958	0.2
139.00687	0.3
140.00182	4.6
141.02203	4.1
141.03227	0.3
141.67839	0.2
142.02672	0.2
143.00114	1.2
143.01910	0.3
144.98082	0.3
145.01720	0.4
145.04930	0.9
146.15012	0.2
146.97443	0.4
146.99637	10.4
147.01404	0.7
147.03194	0.6
147.04984	1.5
148.00009	0.3
149.01187	0.8
151.03882	0.4
152.00220	0.3
152.01624	1.2
152.04211	8.7
152.05632	4.8
152.06906	3.8
152.08128	1.5
152.10667	1.1
152.11806	2.2
153.00700	4.7
153.01918	0.5
153.04066	6.0
153.05435	3.7
153.06581	0.5
153.07805	0.3
153.09087	0.6
153.10187	0.4
153.12724	0.2
154.02461	3.4
155.00150	0.4
157.01714	1.0
158.01260	4.0
158.99641	15.1
159.03275	16.2
159.99983	0.6
160.03586	1.0
161.01213	2.1
161.02728	0.3
161.03145	0.3
161.04655	2.7
161.54802	0.4
162.99098	0.9
163.02695	0.2
165.00681	1.7
165.02196	0.4
169.01704	0.3
170.01233	0.9
170.02863	0.4
170.05167	0.4
170.99599	0.5
171.03220	0.3
172.55392	0.4
173.01181	0.6
174.98990	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1481
Annotation	(E)-4,8-Dimethyl-1,3,7-nonatriene
Peak:m/z	Relative Intensity
51.02382	0.6
53.03951	4.3
55.01881	1.4
55.05512	8.4
57.03432	0.5
57.07074	2.1
65.03939	4.6
67.05505	95.5
68.05836	1.8
69.03431	1.0
69.07063	5.0
69.33852	1.1
69.34261	3.5
70.42336	0.4
70.49065	0.5
77.03925	1.4
79.05492	13.0
80.05872	0.6
81.03426	2.3
81.07057	50.7
82.07392	1.0
83.04986	10.4
83.08615	1.2
91.05483	7.5
93.07047	7.7
95.04971	28.6
95.08606	100.0
96.05294	0.8
96.08952	2.1
98.21585	0.8
103.05492	0.7
105.03397	3.5
105.04503	2.4
105.07032	11.9
105.07697	0.8
107.04980	2.0
107.08598	9.6
109.06522	5.2
109.10156	55.1
110.01288	0.7
110.10503	1.9
111.04442	1.3
121.02921	0.5
123.04414	5.5
123.08067	2.3
123.11710	1.4
133.02884	0.5
133.06491	1.6
133.10146	7.9
151.02936	1.0
151.03911	28.4
151.07510	4.7
151.11171	9.1
151.14815	9.8
152.01646	1.1
152.04283	1.2
152.07048	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0753
Annotation	(2E,4E,6E)-4-Methylocta-2,4,6-trienedial
Peak:m/z	Relative Intensity
51.02378	2.0
53.03685	0.4
53.03942	9.9
55.01876	2.6
55.05509	5.5
65.03938	4.3
67.05500	26.7
68.05816	0.6
69.03431	0.6
70.16973	1.4
70.17390	0.8
76.94288	0.4
77.03938	4.4
78.46929	0.4
79.05489	16.9
80.05808	0.4
81.03414	12.2
81.07058	3.8
83.04975	100.0
84.05288	2.2
91.05476	3.4
93.07034	2.7
95.04961	51.3
95.08607	3.9
96.05291	1.7
98.21502	0.5
103.05455	1.7
105.03388	10.3
105.04483	3.9
105.07021	12.8
107.04948	8.0
107.08556	0.7
109.06516	4.7
111.04485	0.5
111.07969	0.5
115.05441	0.8
121.06498	3.0
123.04431	11.1
123.08047	2.3
123.11742	0.6
133.02866	2.1
133.06500	5.2
151.03894	94.8
151.07491	8.3
151.11113	0.6
152.04228	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	151.1117
Annotation	Lyratal
Peak:m/z	Relative Intensity
51.02373	2.4
53.03720	1.0
53.03944	12.9
55.01875	5.8
55.05504	9.0
57.03438	5.7
59.04976	1.2
60.69460	0.9
65.03941	7.7
67.05502	66.4
68.05845	1.6
68.78062	0.8
69.03429	9.9
69.07061	4.4
70.48288	1.8
70.48632	2.7
71.04974	1.4
77.03927	4.9
79.05489	54.4
80.05811	1.5
81.03419	5.4
81.07055	50.7
82.07375	1.8
83.04979	26.6
84.02598	0.9
85.06538	1.6
86.90318	0.9
91.05476	43.6
92.05812	1.2
93.03419	1.0
93.07041	34.9
94.07380	1.2
95.04964	100.0
95.08611	16.7
96.05302	3.5
103.05457	1.6
105.03401	10.1
105.04496	6.2
105.07027	57.6
106.07368	1.9
107.04963	6.7
107.08587	69.0
108.05713	1.0
108.08942	2.3
109.06512	16.8
109.10149	28.3
110.10462	1.3
111.04435	2.3
119.06046	1.1
123.04419	14.0
123.08044	8.1
123.11703	8.3
124.04757	1.0
128.02312	2.1
130.29721	1.1
131.08572	1.8
133.02815	1.4
133.06488	3.2
133.10127	50.9
134.10477	2.5
135.48289	0.9
146.91696	0.9
151.02895	4.1
151.03900	95.3
151.07530	9.3
151.11172	61.4
152.01620	1.8
152.04308	5.0
152.06978	1.9
152.11526	3.4
164.71208	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1116
Annotation	CARVONE
Peak:m/z	Relative Intensity
51.02372	2.3
53.00286	0.7
53.03945	11.9
55.01862	3.4
55.05505	3.9
57.03427	1.2
57.07069	1.4
59.04998	2.8
65.03934	8.0
67.05501	38.6
68.05815	1.0
69.03418	3.2
69.07053	1.9
69.16109	1.9
69.16522	5.1
71.04988	0.9
77.03920	4.9
79.05488	24.1
80.05815	0.7
81.03431	4.0
81.07049	21.6
83.04977	14.2
83.06073	0.7
88.96976	0.7
91.05478	14.0
93.03391	0.7
93.07042	10.9
94.04199	0.6
95.04962	85.2
95.08606	6.6
96.05302	2.1
98.20806	1.2
103.05466	1.2
105.02714	1.2
105.03385	10.8
105.04497	5.7
105.07022	14.1
106.07343	1.0
107.04958	5.7
107.08591	6.1
108.02110	0.8
108.05755	1.7
108.42032	0.6
109.06509	14.8
109.10154	10.1
110.07148	1.8
111.04420	2.3
111.07970	3.0
119.04903	3.6
121.02842	1.2
121.06493	2.4
121.10161	1.7
123.04421	16.1
123.08059	7.1
123.11700	7.1
124.07598	0.8
131.08591	1.0
133.02832	2.3
133.03926	0.6
133.06497	1.3
133.10110	5.7
136.05150	1.0
136.08839	1.7
137.05939	0.6
151.03897	100.0
151.07510	11.6
151.09839	2.8
151.11165	67.1
152.04221	5.1
152.07062	1.1
152.11531	2.9
161.90405	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0389
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01601	0.5
51.02385	2.1
53.00309	0.7
53.03946	10.6
55.01877	1.5
58.44130	0.3
62.78419	0.3
65.03940	4.0
67.05503	21.0
69.67178	2.1
77.03923	6.2
79.05491	46.1
80.05820	1.1
81.03413	1.1
83.04992	0.6
89.58377	0.3
95.04964	46.8
96.05305	0.7
104.39731	0.3
105.03390	14.5
105.04482	5.5
105.07034	0.3
106.03694	0.6
107.04956	5.4
123.04421	8.1
133.02844	3.0
133.03775	0.5
151.03897	100.0
152.04221	2.4
167.03471	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0389
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	1.5
53.00294	0.5
53.03947	14.4
54.11865	0.5
55.01874	1.9
65.03940	3.5
65.04491	0.4
67.05503	21.2
67.75066	0.4
68.05824	0.6
71.02906	1.0
73.24631	0.4
77.03928	4.8
77.23891	0.4
79.05489	12.1
81.03429	2.1
83.04981	0.9
93.07020	0.7
95.04966	100.0
96.05294	2.8
105.03391	6.7
105.04509	6.7
107.04951	1.9
118.06528	0.5
121.02902	0.8
123.04425	13.5
124.04690	0.5
133.02866	0.8
133.03899	0.8
151.03902	68.4
152.04201	2.4
167.03447	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0389
Annotation	7-Hydroxy-1(3H)-isobenzofuranone
Peak:m/z	Relative Intensity
50.01587	0.6
51.02379	1.8
53.03945	11.2
55.01874	1.2
65.03941	3.0
67.05502	18.5
77.03926	5.5
79.05490	58.3
80.05813	1.8
81.03424	1.3
82.89356	0.3
83.04987	0.7
95.04964	51.3
96.05309	1.0
105.03391	17.5
105.04478	5.3
106.03730	0.4
107.04957	4.4
123.04421	9.0
124.04848	0.3
133.02840	3.0
151.03896	100.0
152.04227	3.4
153.03033	0.3
167.03320	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0389
Annotation	7-Hydroxy-1(3H)-isobenzofuranone
Peak:m/z	Relative Intensity
50.01586	1.0
50.93660	0.5
51.02368	2.4
53.00289	1.0
53.03948	11.6
55.01857	1.5
62.01618	0.5
65.03944	3.6
67.05502	22.6
71.02634	1.2
72.65369	0.5
76.97151	0.7
77.03917	6.7
77.62454	0.5
79.05482	5.9
81.03407	1.0
95.04964	59.6
96.05267	1.2
96.75713	0.5
102.12936	0.6
102.49388	0.5
105.03391	10.4
105.04490	4.2
107.04968	3.9
108.61627	0.5
119.65033	0.6
123.04439	8.8
133.02805	1.6
151.03897	100.0
152.04280	3.8
167.03490	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0391
Annotation	7-Hydroxy-1(3H)-isobenzofuranone
Peak:m/z	Relative Intensity
50.01590	0.7
51.02369	1.5
53.00300	0.4
53.03949	7.1
55.01875	2.5
55.05508	4.3
56.05034	0.7
56.96567	6.1
56.96844	0.3
57.03440	3.1
58.99870	0.8
59.04990	0.4
61.01130	0.4
61.02921	1.2
65.03943	5.5
67.05505	23.1
68.05843	0.6
68.98269	0.5
68.99775	0.3
69.03426	2.1
71.05009	0.5
71.50721	0.6
73.02918	1.4
74.97588	0.4
75.04465	0.3
77.00912	0.4
77.03928	4.6
79.05494	32.2
80.05019	0.4
80.05820	0.5
81.03419	11.9
81.07063	2.8
82.01444	0.7
83.00788	0.5
83.04980	69.0
84.05334	1.3
84.96018	0.6
85.01406	0.9
85.02888	2.1
86.03689	0.7
88.02702	0.3
89.00819	0.5
90.01573	0.9
91.05487	2.9
93.03391	0.6
93.07050	2.0
95.04969	42.9
95.08599	3.0
96.01560	0.7
96.05306	1.3
97.02881	1.8
97.96790	0.5
98.01305	0.4
98.97583	3.6
99.04461	0.5
100.02486	2.5
101.00805	1.6
102.02247	0.6
103.02455	3.6
103.05477	1.4
104.01275	0.3
105.00358	0.9
105.03397	12.0
105.04494	4.1
105.07032	9.2
106.03666	0.5
106.06539	0.3
106.07425	0.4
107.04960	7.0
107.06863	0.4
107.08563	0.5
108.08108	0.8
109.02874	1.9
109.05167	0.3
109.06511	3.8
109.10175	0.4
110.01314	2.4
110.03506	0.7
110.97592	1.0
111.04474	2.4
115.02419	1.2
115.97805	0.4
116.98595	1.5
117.03994	0.5
118.01078	0.4
118.03518	1.3
119.01861	5.6
119.04996	0.4
120.02000	0.6
121.03500	2.6
121.06502	1.9
123.04435	9.8
123.08070	2.3
124.04768	0.4
128.02351	3.8
128.04536	0.4
128.98578	1.6
129.00345	1.0
129.02113	0.3
129.03993	1.3
130.52583	0.6
131.01906	1.3
132.05115	0.4
133.02794	1.7
133.03519	1.8
133.06471	3.9
133.10194	0.4
134.03563	0.8
134.04668	0.3
134.05988	0.5
134.54570	0.4
134.99672	0.5
135.03024	1.2
135.05013	1.5
137.02843	3.5
139.02641	0.3
139.53055	0.7
140.05037	0.7
142.03424	0.4
144.99924	0.3
145.03485	0.8
146.03636	0.5
146.99670	1.8
147.01389	6.7
147.03146	0.5
147.05002	1.5
148.53639	0.5
151.03903	100.0
151.07474	6.2
151.11189	1.0
152.01752	0.6
152.04256	3.9
152.05669	7.9
152.06902	0.5
152.10719	1.6
152.52588	0.3
153.04060	2.6
156.05011	0.3
159.04990	0.5
161.02943	0.9
165.00708	0.4
165.02483	1.0
167.03404	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1325
Annotation	Hormodirene
Peak:m/z	Relative Intensity
51.49728	1.0
53.03947	8.2
54.74953	0.8
55.01859	2.4
55.05512	11.8
55.74675	0.9
56.34140	0.9
57.07077	1.2
65.03941	38.5
66.04295	0.9
67.05503	41.5
69.07068	22.9
69.29130	9.6
77.03935	1.6
79.05492	68.7
80.05827	2.5
81.03401	1.0
81.07054	100.0
82.07376	2.7
83.08619	3.2
91.04906	1.6
91.05476	33.1
92.05796	1.5
93.03400	9.5
93.07041	95.6
94.07355	3.1
95.04960	8.7
95.08605	17.8
98.03645	1.8
98.20624	0.8
100.01005	0.9
103.05461	6.7
105.04522	2.9
105.07037	8.1
107.04940	3.8
107.08591	73.4
108.04433	0.9
108.08895	2.6
109.06512	3.6
111.04456	6.9
112.97470	0.9
119.08583	2.5
121.02858	41.2
121.03963	12.1
121.06484	6.3
121.10136	22.0
122.03214	1.8
131.04942	2.3
147.11742	1.1
149.02336	79.6
149.05930	5.4
149.09618	4.0
149.13254	41.0
150.02695	4.8
150.03738	1.1
150.13641	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	149.1326
Annotation	Hormodirene
Peak:m/z	Relative Intensity
51.02369	1.0
53.03949	7.3
55.01857	3.4
55.05506	4.0
65.03944	52.2
66.04280	0.9
67.05511	10.9
68.99782	1.4
69.03387	0.9
69.07073	7.1
79.05495	18.3
81.03413	1.5
81.06600	1.5
81.07060	27.2
82.07352	0.9
83.08619	1.8
83.85079	0.7
91.05480	25.4
93.03410	11.7
93.07045	38.1
94.07359	1.9
95.04969	8.3
95.08615	5.5
98.03690	3.5
98.20766	1.4
103.05472	22.2
104.05784	1.1
105.03390	1.4
105.04525	3.9
105.07023	4.9
106.04169	1.6
107.04965	15.7
107.08590	20.4
109.06532	1.1
111.04447	10.2
118.06569	0.8
119.04961	1.4
120.05750	2.0
121.02865	54.8
121.03973	16.5
121.06503	17.3
121.10147	8.3
122.03206	2.7
131.04977	3.7
131.05904	0.8
149.02345	100.0
149.05974	13.7
149.09631	7.5
149.13251	14.1
150.02689	5.7
150.03745	1.4
157.80481	0.7
166.13618	0.7
167.03404	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	8.8
53.23622	1.0
54.38969	1.1
55.01866	3.5
55.05510	6.7
56.40852	1.1
57.07056	1.8
65.03941	42.4
66.04231	1.2
67.05505	2.1
69.07072	9.4
70.40611	4.1
77.03920	1.9
79.05503	18.2
79.05936	2.3
81.07048	4.7
91.05479	36.8
92.05807	1.7
93.03408	8.5
93.07044	41.6
94.07364	1.8
95.04964	11.7
95.08604	2.2
98.03654	2.7
103.05468	24.0
105.04521	3.2
105.07034	40.5
106.04176	1.6
106.07890	1.5
107.04980	3.1
107.08597	48.3
108.08880	1.7
109.06509	5.3
111.04460	7.2
116.06209	2.2
119.08581	12.0
120.09354	2.7
121.02166	1.0
121.02865	41.8
121.03979	9.3
121.06499	20.5
121.10146	100.0
122.03204	2.3
122.06940	1.3
122.10458	3.4
123.08085	6.9
131.04924	4.4
131.08614	2.5
133.07622	3.3
133.10118	2.3
134.10985	2.4
149.02345	69.5
149.05989	12.2
149.09636	11.3
149.13257	12.2
150.02686	2.9
167.03397	1.4
169.03511	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	149.1324
Annotation	Multifidene
Peak:m/z	Relative Intensity
51.02365	0.8
53.03944	4.2
53.90238	0.8
55.01868	2.0
55.05507	4.9
57.07068	3.7
65.03629	0.9
65.03941	12.6
67.05511	1.4
69.07065	6.5
71.06923	2.1
75.92901	1.1
77.03926	1.6
79.05074	1.3
79.05495	15.3
81.07036	1.5
91.05479	27.5
93.03382	3.6
93.07047	28.1
95.04972	5.6
95.08620	1.2
103.05472	15.2
105.04518	2.1
105.07024	45.8
106.07837	2.6
107.08587	48.8
108.08934	1.8
109.06519	3.8
111.04443	2.1
116.06315	0.8
119.06043	1.8
119.08585	14.1
120.09422	1.5
121.02858	11.2
121.03946	3.4
121.06509	13.1
121.10137	100.0
122.10482	4.9
122.74759	0.9
123.08052	7.2
131.04976	1.2
133.07593	4.0
133.10133	2.1
134.10880	3.5
149.02330	24.0
149.05975	5.5
149.09604	7.7
149.13249	12.0
149.50771	0.8
150.02678	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1325
Annotation	Multifidene
Peak:m/z	Relative Intensity
53.03936	3.9
55.01870	1.8
55.05499	3.0
57.07061	2.8
65.03934	12.7
67.05482	1.2
69.07063	4.8
71.06872	2.2
76.13043	1.0
77.03935	1.2
79.05491	14.1
81.07065	2.2
91.04906	1.6
91.05473	28.1
93.03394	3.4
93.07038	23.1
95.04952	6.0
95.08630	1.1
98.03666	1.0
103.05467	14.5
105.04496	1.1
105.07026	39.1
106.04163	1.1
107.08586	43.7
108.08932	1.1
109.06506	3.2
111.04407	2.2
119.08571	13.0
120.09346	1.7
121.02860	14.5
121.03975	3.8
121.06501	10.4
121.10136	100.0
122.10474	4.6
123.08058	7.3
127.48306	1.0
131.04889	2.7
133.07626	3.9
133.10133	2.6
134.10910	2.9
149.02330	28.3
149.03513	1.8
149.05988	6.3
149.09592	9.2
149.13261	11.3
150.02634	2.3
154.18623	0.9
159.58141	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0598
Annotation	3-Isochromanone
Peak:m/z	Relative Intensity
51.02378	2.6
53.03716	1.6
53.03951	23.3
55.01880	6.6
56.62360	0.8
65.03934	3.6
65.87430	1.1
69.19834	10.2
77.03927	6.0
78.51041	1.1
79.05487	4.8
81.03413	3.8
91.05486	66.4
92.05807	2.2
93.07045	63.6
94.07399	2.2
95.04965	36.5
103.05470	100.0
104.05807	5.2
105.04529	10.5
107.04960	2.7
121.02867	3.2
121.04022	1.9
121.06506	78.9
122.06853	1.6
131.04918	5.9
131.06067	2.8
131.10268	1.1
134.32225	0.8
147.04410	1.0
149.02327	5.1
149.04796	2.2
149.05988	40.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0597
Annotation	3-Isochromanone
Peak:m/z	Relative Intensity
51.02379	2.1
53.03950	21.9
55.01879	5.1
65.03937	16.7
70.53419	1.0
70.64666	1.1
77.03912	5.1
77.90829	1.1
79.05508	6.6
79.05897	1.4
81.03409	3.6
91.05480	70.2
92.05810	1.7
93.03397	5.7
93.07043	62.6
94.07379	2.0
95.04965	37.0
96.05289	1.6
98.20711	2.4
102.04675	1.2
103.05466	100.0
104.05776	3.4
105.04513	10.7
105.06969	1.7
106.04124	1.8
107.04950	3.1
107.08561	2.7
111.04420	2.3
119.04921	1.3
121.02859	20.8
121.03970	4.4
121.06502	78.1
121.10145	2.6
122.06843	3.7
131.04915	8.6
131.05994	2.7
147.04425	1.4
149.02342	39.4
149.03520	2.5
149.05977	45.9
149.09726	1.4
150.02673	2.9
150.06343	2.4
165.05489	1.5
169.03372	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0961
Annotation	4-Phenylbutan-2-one
Peak:m/z	Relative Intensity
51.02373	2.0
53.03950	10.6
55.01866	5.7
55.05510	2.2
65.03936	17.1
69.03424	3.8
70.67735	1.8
71.35303	4.2
72.34672	1.9
75.20472	1.8
79.05067	2.9
79.05489	28.6
86.93133	1.8
91.05479	92.3
92.05803	2.0
93.03396	6.3
93.07045	56.4
95.04967	18.4
103.04801	3.4
103.05465	44.7
104.05832	2.4
105.04552	3.5
105.07028	46.8
106.07806	5.6
106.29904	1.6
107.04929	5.0
107.08586	4.3
109.06501	5.8
111.04446	3.3
115.05422	10.3
116.06249	28.1
119.08573	6.2
121.02859	20.7
121.03949	5.5
121.06509	42.2
121.10135	42.4
122.03111	2.1
122.06876	3.0
123.08056	5.3
128.06232	2.0
129.07002	7.8
131.04936	8.2
131.08569	22.8
133.07625	4.3
134.07256	3.7
141.64706	1.8
147.08051	5.8
149.02330	39.0
149.06003	20.3
149.09618	100.0
150.09996	2.8
165.10776	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1167
Annotation	Viridiene
Peak:m/z	Relative Intensity
53.03925	2.2
55.05502	4.5
64.92793	2.3
65.03927	4.3
65.08636	0.8
67.05504	20.8
69.07079	7.3
70.95715	2.1
79.05498	18.2
80.05821	1.4
81.07061	18.7
91.05483	100.0
92.05801	3.7
93.07049	12.0
95.04971	3.0
103.05483	4.0
105.07034	86.8
106.07284	2.4
107.04964	1.9
107.08642	1.2
117.07010	6.3
119.04946	21.7
119.08585	57.2
120.08958	2.5
123.96436	2.3
128.06183	1.2
129.06993	5.3
131.08568	1.2
145.10156	3.3
147.04427	12.9
147.05513	2.3
147.08046	9.5
147.09126	1.9
147.11687	35.6
148.03882	1.3
148.07509	2.3
148.12061	2.2
153.06856	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	148.0605
Annotation	L-Glutamic acid
Peak:m/z	Relative Intensity
52.73513	0.3
53.03954	0.3
55.01871	0.4
56.05037	5.8
56.96563	1.4
57.03419	0.5
63.58952	0.3
65.03941	3.8
69.03431	0.5
69.51804	1.4
69.52224	1.0
79.05489	0.6
84.04506	100.0
84.08117	0.4
85.02914	2.5
85.04845	2.7
86.52738	0.5
91.05466	1.5
91.09580	0.3
92.05845	0.4
93.03412	1.2
93.07059	1.3
95.04975	0.7
95.53239	0.4
95.91423	0.3
100.02477	0.4
102.05543	15.8
103.05437	1.7
105.04543	0.4
111.04433	0.7
113.02386	0.5
116.05584	0.3
118.03544	0.4
120.05271	0.5
121.02880	5.8
121.03995	1.6
121.06521	1.4
130.05000	8.1
131.03392	0.4
131.04918	0.4
148.03995	0.6
148.06046	1.1
148.07622	0.4
149.02348	11.1
149.06001	1.2
161.98363	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.7
55.01857	1.6
55.29864	0.8
56.03308	0.7
57.03424	2.0
59.75545	0.7
62.92752	0.7
62.92989	7.5
67.05495	1.7
69.03408	1.8
69.17073	6.9
69.17487	1.4
71.05000	5.9
79.05473	2.4
81.03410	1.6
84.08148	0.7
85.02920	3.6
87.04458	0.8
91.05482	15.2
96.56329	0.7
97.02882	2.3
99.04459	15.6
101.02392	0.8
103.05457	3.2
105.07030	78.4
106.07349	3.2
115.05450	8.6
116.06238	1.7
117.07019	28.6
118.06516	2.5
118.07352	1.4
121.96637	10.3
127.03925	1.9
128.05403	0.9
128.06198	4.8
129.07013	10.5
130.07785	44.7
131.08154	1.7
138.85210	0.7
143.08562	9.7
144.98209	2.4
145.03873	1.0
145.05042	1.7
145.10117	100.0
146.06013	3.7
146.10464	6.3
148.67094	0.8
151.92409	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0601
Annotation	Indole-3-carboxyaldehyde
Peak:m/z	Relative Intensity
55.05510	0.4
63.87206	0.2
64.45303	0.2
65.03950	1.4
69.98447	0.3
69.98843	0.8
72.05315	0.2
77.70364	0.2
79.05518	0.4
80.84703	0.2
81.07077	0.3
84.08140	0.2
91.05482	33.5
92.05826	1.1
98.20821	0.4
100.04842	0.4
100.07611	0.5
101.23878	0.2
103.05476	0.5
105.07027	3.5
106.07371	0.5
106.98061	0.2
107.08612	0.4
108.32825	0.2
116.64646	0.2
117.05765	5.2
117.07050	0.8
118.06544	100.0
119.04945	7.0
119.05886	0.4
119.06077	0.4
119.06868	4.2
119.08579	4.5
123.96478	0.7
128.05008	0.4
129.06972	0.4
131.04849	0.3
131.08116	0.4
132.09367	0.5
145.10129	0.6
146.06017	11.4
146.10524	1.1
147.04419	5.4
147.06366	0.6
147.08057	0.9
147.11681	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	147.044
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
51.02406	0.6
53.00299	0.7
53.03941	0.7
65.03622	0.8
65.03944	10.8
66.69042	0.5
69.52068	4.1
72.24359	0.5
91.05483	100.0
92.05823	1.7
95.04977	0.6
103.05471	8.9
104.05821	0.6
105.07029	1.7
105.38335	0.5
105.59923	0.5
106.04153	0.8
109.06518	2.8
119.04944	64.7
119.08579	1.9
120.05285	1.5
147.04414	31.9
147.08003	1.0
147.11678	0.8
148.04759	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22029	2.0
58.06583	5.5
59.67379	2.3
62.92985	51.9
65.94102	2.3
69.37717	14.3
69.38127	3.9
71.81028	2.0
84.08126	4.9
103.95573	3.4
115.41773	2.0
121.96631	100.0
144.07977	3.1
144.10194	43.1
144.98206	25.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
59.06132	29.4
60.04512	23.8
62.92974	82.4
65.75175	20.3
73.59276	23.3
85.02902	100.0
98.21545	46.2
112.05099	25.7
121.96663	75.9
135.83527	20.8
144.10245	25.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.0349
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96550	0.9
57.03432	3.9
58.99855	1.8
59.05012	0.8
60.04523	0.8
61.68544	0.8
68.02650	1.3
69.03413	2.0
69.60059	5.4
69.60469	1.7
70.99854	4.6
73.02911	1.0
77.00912	1.9
78.07816	0.8
78.52954	1.3
81.03417	2.3
81.04535	3.6
82.01438	1.2
82.99850	1.7
85.02915	2.1
86.03668	1.2
88.02668	1.2
89.00854	1.5
93.53498	1.1
95.06087	2.0
98.21468	0.9
98.25634	1.0
98.97604	1.4
99.53452	1.3
100.02483	6.2
101.00871	29.5
105.22820	0.9
109.02869	0.9
113.53210	1.5
118.01155	1.9
118.03494	4.1
119.01917	100.0
120.02073	2.1
122.53735	1.7
124.02462	1.6
125.07115	2.5
131.01906	2.8
131.54256	1.7
133.03493	1.4
136.04565	1.5
137.02963	26.5
140.54695	1.1
141.02690	2.5
142.03487	14.9
143.01883	1.9
143.03450	3.8
143.08183	1.3
160.04564	4.9
161.02975	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	142.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60632	1.8
53.78996	1.6
56.96552	2.6
58.26325	2.0
60.01252	1.9
65.98076	2.0
67.07887	1.5
70.81339	5.7
82.99831	2.1
87.40704	1.7
100.02493	3.3
100.97989	2.2
101.00876	27.4
102.08937	2.0
118.03528	10.6
119.01923	100.0
120.02014	4.5
136.04480	9.4
137.02943	32.8
138.02977	2.2
142.03490	17.6
142.09879	2.0
143.03400	5.2
160.04550	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	143.019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.6
55.05505	1.2
55.84940	0.4
56.05026	1.5
56.96566	9.2
57.03445	2.2
58.06602	0.8
58.99869	1.8
59.06121	0.9
59.96186	0.5
60.04526	1.3
60.95852	3.0
61.02934	0.6
67.05499	0.6
68.02631	0.8
68.05025	0.5
68.99817	0.6
69.03434	6.5
69.16238	4.7
70.06588	2.4
70.98125	0.9
70.99854	2.1
71.01368	0.7
71.05013	0.5
71.95266	1.7
72.04513	0.7
73.02924	0.5
75.01044	0.4
75.05574	0.4
75.94545	0.8
77.00904	2.6
78.39961	0.4
80.05020	0.4
81.03438	0.7
81.04542	1.4
82.06577	0.6
82.44151	0.4
82.99861	0.8
83.01347	1.5
83.04991	0.4
83.06105	1.5
84.04511	1.3
84.06418	0.5
84.08154	0.9
84.96043	0.4
85.02905	3.8
85.07659	0.7
86.06054	2.2
87.00870	0.4
87.04465	0.6
88.99142	0.5
89.00867	1.4
95.01955	1.0
95.06087	0.5
96.06860	0.4
97.02885	5.8
97.06523	0.5
97.07658	1.1
98.06042	2.0
98.09667	0.7
98.97577	2.9
99.05580	0.5
100.02514	0.9
101.00885	18.8
101.07143	1.1
101.95035	6.5
101.97206	0.8
102.00967	1.9
102.05551	0.7
102.96869	6.7
103.00614	0.7
105.00290	0.6
106.01048	0.4
107.01895	0.4
108.06802	0.4
109.02915	0.4
109.07623	0.5
113.02995	0.7
113.07095	0.5
115.03910	0.5
116.98640	1.8
117.01875	0.5
118.01133	0.7
118.03524	1.6
119.01922	100.0
119.96074	3.1
119.98261	0.7
120.02010	13.8
120.03252	0.7
120.97905	6.5
121.00835	0.7
121.01632	4.2
121.02325	0.6
124.02450	0.5
125.02364	7.6
125.07126	1.4
126.03793	0.7
126.05499	1.0
126.09084	0.4
127.08708	0.5
128.06171	0.6
128.98634	0.4
131.01831	0.7
133.01637	0.4
134.99641	1.2
136.04570	1.4
137.02963	39.0
137.04022	2.3
137.97095	2.8
138.03073	5.8
138.04250	1.1
138.98933	6.2
139.01765	0.6
139.02704	1.5
142.03502	4.8
142.96635	0.4
143.03404	55.1
143.08183	1.3
143.10069	0.7
143.11835	0.7
144.03745	1.2
144.04768	0.7
144.06587	1.1
144.10327	0.5
155.98172	1.1
157.00012	0.9
160.04558	1.4
161.02983	2.9
161.04684	2.0
162.00609	0.5
162.04283	0.9
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
51.02373	2.1
53.00293	3.3
53.03946	12.9
55.01860	4.0
55.05508	13.8
56.05034	2.0
56.96556	5.4
60.90509	1.1
65.03928	8.7
67.05483	2.0
68.02287	2.4
68.02644	38.2
68.03012	2.3
68.04984	1.3
69.03413	5.0
69.65148	8.1
71.04653	1.5
71.04990	16.4
71.06085	1.5
79.01849	32.9
79.05487	17.9
80.02202	1.6
80.02624	1.7
80.17167	1.2
81.03414	12.0
81.04533	1.5
81.07056	3.4
83.04975	84.7
84.05321	3.3
85.02899	3.7
87.04472	3.2
91.05449	1.3
93.07037	2.4
95.04955	5.2
95.06087	1.7
95.08611	1.4
96.02102	1.7
96.05669	2.2
97.06549	2.3
98.07161	7.1
98.97578	10.6
98.98468	3.8
103.65289	1.2
105.04507	1.4
107.01269	2.6
107.04951	2.3
109.02876	13.6
109.06519	4.4
111.04437	76.5
112.04797	2.8
116.97244	2.5
116.98613	9.2
121.02844	1.3
122.07177	3.4
123.05567	2.7
134.99628	6.5
139.03899	100.0
139.07578	3.5
139.09862	1.7
139.11151	2.8
140.04309	3.5
140.08156	2.7
145.39558	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	140.0019
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74622	0.5
54.98629	0.6
56.05029	0.8
56.96563	28.3
70.22566	2.2
70.51170	0.5
71.95261	7.8
87.81139	0.5
95.67068	0.5
98.97578	100.0
99.97900	0.8
114.61404	0.5
116.98615	71.9
117.98952	0.9
123.05569	0.6
134.99654	34.6
135.03062	0.7
140.00194	2.6
140.08157	1.1
153.00687	3.7
158.01247	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	141.0546
Annotation	5-Methoxymethyl furfural
Peak:m/z	Relative Intensity
51.02373	2.1
53.00317	1.9
53.03947	89.5
55.01875	2.1
55.05518	10.9
67.01859	2.9
67.05498	6.5
68.02631	1.9
71.04984	6.8
71.51053	3.1
71.51440	1.8
81.03419	65.7
81.07045	2.6
83.04972	19.3
85.06537	6.0
90.77325	1.6
95.01319	13.8
95.04965	4.6
95.08579	2.0
96.31411	1.7
98.03671	3.7
99.04430	2.4
109.02879	100.0
110.03226	1.8
111.04435	6.7
113.02343	2.7
113.06009	10.8
115.89890	1.5
121.79999	1.4
123.00811	9.7
127.03928	21.3
141.01839	14.0
141.05469	31.7
141.06627	2.0
141.07022	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.035
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60881	2.8
62.22974	2.3
70.49770	7.9
98.21471	2.2
101.00880	17.0
118.03512	6.0
119.01923	100.0
120.01993	2.0
124.00315	2.1
136.04564	8.0
137.02946	40.7
137.50000	5.8
139.18922	2.1
142.03479	22.9
143.03482	2.2
147.54776	2.1
154.80592	2.4
160.04576	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	139.039
Annotation	Sesamol
Peak:m/z	Relative Intensity
51.02367	2.2
53.00322	4.5
53.03945	6.0
54.03472	0.9
55.01865	1.2
55.05511	10.7
56.05016	2.3
56.96559	2.0
57.93565	0.7
59.04972	0.6
65.03925	2.8
67.05504	0.9
68.02648	30.7
68.05027	1.0
69.03020	0.7
69.03421	2.2
69.07046	0.8
70.64999	1.4
70.65366	1.3
79.01855	34.5
79.05515	1.1
80.02183	0.8
81.03404	4.5
81.04526	1.3
82.02910	0.7
83.04979	67.3
83.06070	2.2
84.04541	1.0
84.05302	0.7
85.02895	2.7
87.04450	3.4
93.03381	1.9
93.07036	2.0
94.06592	0.9
95.01357	1.3
95.04968	2.5
95.06096	2.0
96.02127	1.5
96.04492	0.6
96.05618	2.1
97.06499	2.1
98.07174	4.1
98.97552	3.7
98.98437	1.3
99.05599	1.2
107.01305	1.2
109.02885	13.8
111.04440	68.4
112.04779	2.5
112.08727	1.1
113.07145	0.8
116.97236	1.3
116.98630	2.9
121.02879	1.0
122.07163	2.2
123.05556	2.7
125.02377	1.8
134.99648	2.5
139.03903	100.0
139.07529	1.6
139.09789	1.9
140.04260	3.3
140.08197	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	139.0389
Annotation	Sesamol
Peak:m/z	Relative Intensity
51.02380	1.5
53.00301	3.1
53.03951	4.6
54.54334	0.8
55.05511	10.0
56.07244	0.9
57.40036	0.8
65.03928	2.1
68.02286	1.6
68.02644	27.8
69.03431	6.2
70.99413	1.7
70.99762	1.1
71.04975	2.8
79.01855	29.5
79.02316	1.4
79.05498	4.7
80.02191	1.1
81.03419	4.6
83.04980	69.2
84.05321	1.6
85.02892	3.4
87.04456	3.3
95.01324	1.2
96.02132	1.4
98.07145	0.9
107.01303	1.8
109.02870	15.0
109.06518	1.5
111.04440	65.7
112.03963	0.8
112.04797	1.3
139.03900	100.0
139.11198	2.0
140.04262	3.6
140.85008	0.8
152.78275	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.039
Annotation	Sesamol
Peak:m/z	Relative Intensity
51.02365	0.4
53.00297	0.5
53.03937	1.1
54.03471	1.8
55.01868	0.9
55.05514	2.5
56.05035	4.7
56.96341	0.4
56.96568	4.0
57.04557	0.7
57.93556	0.9
58.02980	0.5
58.06613	0.6
59.06112	1.2
65.03944	45.2
66.04263	0.8
67.02979	0.6
67.05498	1.0
68.02649	3.6
68.05022	1.4
69.03430	1.8
69.04548	0.8
69.07063	0.6
70.06588	1.0
71.02950	0.4
71.06103	1.3
71.95264	0.6
72.04515	0.7
79.01858	4.8
79.05486	1.2
80.04997	0.6
81.03420	1.1
81.04546	2.5
81.07047	0.6
82.02935	0.7
82.05325	0.7
82.06615	0.3
83.04500	0.6
83.04988	12.3
83.06096	3.5
84.04513	1.2
85.02924	0.7
85.07609	0.4
87.04472	0.8
91.05483	1.0
93.03408	20.2
93.07050	2.8
94.03715	0.8
94.06580	0.7
95.04967	3.0
95.06068	2.9
95.08620	1.1
96.04505	0.4
96.05630	2.4
97.02885	0.5
97.06487	1.8
97.07668	0.9
98.07187	4.9
98.97588	8.4
98.98465	1.4
99.05593	2.2
100.06370	0.4
109.02901	1.6
111.04446	100.0
112.04004	0.7
112.04753	3.3
112.07623	0.4
112.08707	0.9
113.07164	1.1
116.97337	1.8
116.98626	10.2
118.31473	0.4
121.02908	2.8
121.03977	1.0
121.06532	1.2
121.10158	0.8
122.07164	3.0
123.05556	2.6
134.02991	0.6
134.06020	1.4
134.99667	6.4
139.03914	24.1
139.04887	0.9
139.07538	0.9
139.08737	0.8
139.09811	3.6
139.11127	1.0
140.04320	0.7
140.08185	5.5
141.06642	0.8
153.00732	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.039
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.4
53.00315	3.9
53.03944	5.8
53.36313	0.6
54.03462	2.9
54.75798	0.6
55.01868	1.8
55.05507	11.3
56.03754	0.7
56.05036	7.1
56.96566	5.3
57.04563	0.8
57.93550	1.1
58.06586	1.2
59.06116	3.1
63.31186	0.7
65.03941	8.0
66.13416	0.7
67.02988	1.2
67.05489	2.0
68.02648	27.3
68.05020	0.9
68.99774	0.6
69.03436	3.3
69.04550	0.8
69.07053	2.2
69.67850	2.5
69.68258	1.7
70.06603	1.4
71.04945	0.6
71.06109	1.2
72.04520	0.9
79.01855	32.3
79.02321	1.7
79.05480	3.1
80.02199	0.8
81.03426	5.9
81.04539	3.6
81.07038	1.0
82.02924	1.2
83.04979	70.3
84.04500	1.5
84.05293	1.7
85.02898	3.8
87.04477	4.0
91.05486	2.2
92.44048	0.7
93.03392	2.8
93.07040	5.2
94.06538	0.8
95.01321	2.2
95.04975	5.1
95.06089	3.1
95.08601	2.3
96.02110	0.9
96.05613	5.2
97.02900	1.6
97.06483	4.8
97.07658	1.7
98.07175	7.1
98.97587	10.6
98.98444	4.2
99.05582	2.9
107.01357	1.8
109.02882	14.8
110.03191	0.8
111.04441	75.3
111.08008	1.0
112.03993	1.4
112.04797	3.5
112.08713	2.4
113.07120	1.1
116.97221	3.2
116.98619	9.0
121.02847	3.7
121.06462	1.3
121.10167	1.5
122.07155	3.2
123.05533	4.5
125.02364	2.0
134.99649	6.4
139.03899	100.0
139.07512	2.5
139.08777	1.3
139.09767	7.2
139.11154	2.5
139.12207	1.1
140.04245	3.9
140.08191	8.5
153.00787	1.3
158.01189	0.8
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
51.02372	2.1
53.00300	4.1
53.03945	6.2
55.01870	1.4
55.05512	10.6
58.93239	0.9
65.03936	1.6
68.02646	28.7
69.03419	2.3
69.69321	4.8
71.04978	3.3
79.01852	32.5
79.05485	6.3
80.02178	0.8
81.03413	5.6
81.07061	0.9
83.04976	65.6
84.05308	1.7
85.02890	3.0
87.04457	2.9
89.71514	0.6
95.01334	1.9
95.04974	1.2
96.02107	1.4
97.06525	0.9
98.98425	0.6
107.01315	1.9
107.04935	0.9
109.02876	14.1
109.06496	2.4
111.04438	64.2
112.04762	1.9
139.03896	100.0
140.04196	4.3
142.51480	0.6
144.55789	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0389
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01593	0.7
51.02376	2.5
51.13393	0.6
53.00310	3.3
53.03942	7.0
55.01856	1.6
55.05509	10.1
56.03783	0.6
56.05025	1.2
56.08665	0.6
65.03936	2.5
67.05515	1.1
68.02644	27.7
69.03418	2.3
69.07057	0.6
71.04988	3.2
71.50314	0.9
79.01851	32.6
79.05492	6.3
80.02147	0.9
80.02604	0.6
80.04997	0.6
81.03423	5.0
81.04561	0.7
81.07042	1.6
83.04975	69.8
83.35841	0.6
84.05276	1.3
85.02896	3.0
87.04446	3.1
89.78626	0.5
91.05474	0.6
93.03393	0.7
93.07027	1.8
95.01315	1.5
95.04972	1.7
95.06059	0.8
96.02126	1.5
97.02890	0.7
97.06459	1.0
98.07162	2.3
98.97561	1.2
98.98473	1.0
99.05581	0.8
104.31120	0.5
107.01313	2.5
109.01283	0.6
109.02876	13.1
109.06516	2.3
111.04437	64.4
111.08072	0.7
112.04767	1.6
112.08730	0.7
116.98647	0.6
122.07181	1.8
123.05551	1.0
139.03896	100.0
139.09795	1.6
139.11227	0.7
140.04256	3.3
140.08188	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0961
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
51.02370	0.9
53.03947	2.1
55.01870	1.3
55.05511	2.1
57.07074	0.6
65.03938	2.5
66.04725	5.5
67.05505	27.8
68.05828	0.7
69.03422	1.6
69.07062	1.6
77.03914	1.0
78.04709	0.4
79.05063	0.7
79.05495	7.5
81.03429	0.6
81.04549	0.8
81.07055	14.6
83.00031	0.4
84.00758	0.4
91.05480	17.7
92.05767	0.6
93.07044	4.5
94.04187	30.5
94.07821	1.7
95.04457	0.6
95.04980	3.8
95.07997	0.5
95.08612	9.7
96.04476	1.1
97.06388	1.2
103.05473	1.8
104.06235	0.8
105.03401	1.4
105.04509	0.8
107.04954	24.6
107.08603	1.8
108.04531	0.5
108.05260	0.7
109.06498	3.0
109.10159	35.3
110.07179	0.9
110.10476	1.0
115.05448	0.5
117.07030	2.1
117.21331	0.4
119.05000	0.6
119.08586	15.5
120.08900	1.2
121.02847	0.6
121.06498	8.2
122.03652	42.2
122.07285	100.0
123.03987	1.2
123.07631	3.3
135.04384	0.6
135.08032	3.8
137.02524	0.8
137.05981	65.1
137.09615	90.8
138.05428	4.7
138.06406	2.9
138.09944	3.5
142.00034	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0961
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
53.03959	5.7
55.01865	3.3
55.05514	11.6
57.03420	3.3
57.07059	1.2
65.03938	6.4
66.04712	4.2
67.05505	100.0
68.05828	2.3
68.90263	0.9
69.03413	4.3
69.07076	8.5
70.19402	4.4
73.38432	0.9
77.03948	1.2
77.36964	0.9
79.05496	16.4
81.03413	3.9
81.04540	1.6
81.07057	52.4
82.07383	1.1
83.04961	2.4
86.71372	1.1
91.05481	44.0
92.05799	1.5
93.07044	16.3
94.03616	1.9
94.04189	25.9
94.07819	2.5
95.04969	21.5
95.08608	38.0
96.05671	1.3
97.06406	2.5
103.05444	2.4
105.07011	7.4
107.04958	16.0
107.08589	32.7
108.05741	2.6
109.06519	59.7
109.10156	59.2
110.07118	2.2
110.10482	2.7
117.07065	4.7
119.06054	3.4
119.08587	20.5
121.02891	1.3
121.06496	4.2
122.02895	0.6
122.03648	37.8
122.07281	44.8
123.04021	1.8
135.08076	1.3
137.02478	1.6
137.05981	57.3
137.09612	69.6
137.13248	1.9
138.05443	1.7
138.06378	2.4
138.09982	2.4
150.58461	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0961
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
51.02378	0.8
53.03941	4.0
54.03453	0.8
55.01854	2.8
55.05507	6.1
57.03426	0.9
57.07066	2.1
65.03934	6.0
66.04403	0.6
66.04719	8.3
67.05502	49.1
67.68066	0.8
68.05015	1.0
68.05827	1.7
68.37934	0.6
69.03418	2.0
69.04543	1.4
69.07066	3.3
69.16653	0.6
69.92737	4.1
77.03901	2.7
79.05492	21.7
80.03160	0.7
80.05804	0.8
81.03413	2.3
81.04543	4.6
81.07054	42.4
82.06594	1.0
83.05000	1.1
83.06110	1.6
84.86226	0.7
91.05482	34.4
92.05813	1.5
93.07043	11.1
94.04184	52.2
95.04977	15.2
95.06107	0.9
95.08603	58.3
96.04485	1.1
96.05621	1.6
96.08937	1.6
97.06390	5.1
97.07640	0.8
98.04756	0.8
103.05492	0.7
104.06226	0.8
105.03381	3.7
105.04510	1.6
105.07057	1.0
107.04958	8.2
107.08595	2.8
108.04504	0.9
108.05719	0.7
109.02905	0.7
109.06516	24.3
109.10154	17.5
110.06069	0.8
110.07184	4.7
110.10475	1.3
111.05539	1.6
117.07012	3.2
119.04932	2.8
119.06078	1.0
119.08579	9.4
120.08906	1.0
121.02894	1.4
121.06504	1.3
122.03645	63.5
122.07281	15.7
123.03984	2.8
135.08002	0.7
137.02504	3.6
137.05972	100.0
137.08191	3.0
137.09616	25.6
137.10716	1.0
137.13251	1.9
138.05418	5.5
138.06352	5.1
138.10138	1.6
145.40259	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	5.7
55.01865	3.3
55.05514	11.6
57.03420	3.3
57.07059	1.2
65.03938	6.4
66.04712	4.2
67.05505	100.0
68.05828	2.3
68.90263	0.9
69.03413	4.3
69.07076	8.5
70.19402	4.4
73.38432	0.9
77.03948	1.2
77.36964	0.9
79.05496	16.4
81.03413	3.9
81.04540	1.6
81.07057	52.4
82.07383	1.1
83.04961	2.4
86.71372	1.1
91.05481	44.0
92.05799	1.5
93.07044	16.3
94.03616	1.9
94.04189	25.9
94.07819	2.5
95.04969	21.5
95.08608	38.0
96.05671	1.3
97.06406	2.5
103.05444	2.4
105.07011	7.4
107.04958	16.0
107.08589	32.7
108.05741	2.6
109.06519	59.7
109.10156	59.2
110.07118	2.2
110.10482	2.7
117.07065	4.7
119.06054	3.4
119.08587	20.5
121.02891	1.3
121.06496	4.2
122.02895	0.6
122.03648	37.8
122.07281	44.8
123.04021	1.8
135.08076	1.3
137.02478	1.6
137.05981	57.3
137.09612	69.6
137.13248	1.9
138.05443	1.7
138.06378	2.4
138.09982	2.4
150.58461	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02381	0.5
53.03941	1.9
53.34877	0.3
55.01871	0.7
55.05495	0.3
60.85537	0.4
65.03932	1.7
66.04724	6.8
67.05508	3.2
68.62714	0.4
69.03428	0.4
69.54967	2.4
74.79968	0.3
77.03922	1.3
78.03459	0.4
79.05489	4.9
81.07055	3.4
86.10965	0.3
86.45549	0.3
91.05478	4.8
93.07044	0.6
94.04186	46.2
94.23898	0.3
95.04478	0.7
95.04974	1.8
95.08603	2.2
96.04482	1.6
97.06377	0.5
98.21429	0.7
105.03397	0.8
105.04489	0.7
107.04958	2.8
109.06550	0.9
109.10152	1.5
119.08569	0.7
121.06528	0.4
122.03648	65.5
122.07267	4.9
123.03982	2.3
135.04416	1.1
137.05977	100.0
137.09569	4.9
138.05484	5.2
138.06352	4.1
153.56717	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02390	0.5
53.03946	1.9
55.01869	0.8
57.07081	0.5
65.03940	2.5
66.04726	6.5
67.05504	7.2
69.03446	0.5
69.07094	0.9
69.26348	3.4
69.26752	1.0
77.03947	0.8
79.05499	6.4
81.04545	0.8
81.07059	7.0
91.05486	6.2
93.07037	1.5
94.04189	46.8
95.04465	1.0
95.04994	1.8
95.08605	5.0
96.04489	0.7
98.20799	1.0
105.03406	0.8
105.04567	0.7
107.04965	6.2
109.06539	1.4
109.10158	6.8
110.07121	0.5
117.07013	0.5
119.08581	3.5
121.06523	1.4
122.03652	65.1
122.07288	19.3
122.08179	0.9
123.03960	2.0
123.07630	1.0
135.04419	0.4
135.08049	0.8
137.05980	100.0
137.09602	18.2
137.13260	0.6
138.05470	1.5
138.06334	3.7
138.10014	0.9
144.59660	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02377	0.8
53.03948	4.5
53.42413	0.5
55.01859	2.6
55.05515	2.6
57.07061	1.5
59.53626	0.5
61.70385	0.5
65.03945	6.3
66.04720	5.6
67.05504	20.7
69.03414	1.8
69.04543	1.0
69.07064	6.3
70.94942	1.3
75.28385	0.5
77.03928	0.6
79.05494	18.8
79.42930	0.5
80.05794	0.8
81.03430	2.9
81.04531	2.5
81.07056	31.1
82.07389	0.8
91.05481	37.8
92.05798	1.4
93.07041	5.2
94.04185	48.2
94.06567	0.8
95.04482	1.0
95.04984	7.7
95.06056	0.6
95.07992	1.1
95.08608	23.6
96.04495	0.7
96.05627	1.1
96.08966	1.1
97.06434	2.7
97.07667	0.8
105.03397	1.2
105.04523	1.5
107.04971	7.7
107.08585	1.4
109.02856	0.6
109.06520	28.3
109.10149	8.3
110.07117	2.5
111.04422	0.7
111.05564	1.3
117.07023	0.8
119.04933	4.7
119.06031	0.8
119.08570	3.7
120.05550	0.7
121.03991	0.6
121.06453	1.2
122.03648	59.8
122.07270	7.4
123.03976	1.8
135.08054	0.8
137.02415	1.7
137.05975	100.0
137.08203	2.0
137.09598	11.3
137.13252	1.5
138.05449	2.0
138.06358	5.3
138.10100	1.2
150.07970	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02389	0.4
51.10587	0.3
53.03934	0.8
55.01866	0.8
55.05511	0.9
57.07079	0.8
58.79720	0.4
65.03947	1.6
66.04726	7.0
67.05504	3.4
69.03460	0.4
71.22027	0.6
77.03939	0.8
79.05502	4.5
79.62650	0.4
81.07061	5.6
85.08456	0.3
91.05481	4.1
92.20765	0.4
93.03404	0.4
93.07039	0.7
94.04189	49.7
95.04510	1.2
95.04987	1.5
95.08611	5.6
96.04503	1.0
105.03411	0.7
105.04486	0.5
107.04958	1.5
108.04543	0.4
109.06507	0.8
109.10166	1.4
119.04978	0.4
119.08560	0.4
122.03653	67.3
123.03969	2.5
135.04433	0.8
136.24669	0.4
137.05980	100.0
137.09601	1.2
137.13197	0.5
138.05496	6.2
138.06361	3.4
139.86174	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0596
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02377	0.7
53.03939	1.7
55.01871	0.7
65.03941	1.2
66.04714	6.3
68.63963	0.8
70.03564	2.8
71.92474	0.6
77.03941	0.8
79.05489	4.0
81.07048	2.4
84.20770	0.8
88.15940	0.8
91.05482	4.0
92.89243	0.8
94.04181	49.9
95.04472	1.1
98.52432	0.7
107.04960	1.3
109.06480	0.9
122.03641	71.0
123.03965	2.4
127.05257	0.6
137.05969	100.0
138.06323	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0596
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02354	0.6
53.03944	4.1
55.01867	1.6
65.03934	2.4
66.04721	8.8
67.05505	3.4
69.03443	1.0
69.68372	0.5
70.88056	1.8
71.74505	0.6
74.06261	0.5
77.03918	1.6
77.12466	0.5
77.20472	0.6
79.05489	9.5
81.03419	0.9
81.07053	6.2
82.09999	0.5
85.08491	0.7
91.05479	13.6
91.56783	0.6
93.07030	2.4
94.04183	43.4
95.04467	0.5
95.04997	4.8
95.08599	1.8
105.03387	5.9
105.04519	1.6
107.04949	2.7
109.06506	4.5
109.10162	1.6
110.07173	0.7
113.34388	0.6
119.04991	0.9
119.08618	0.8
121.02851	1.8
122.03646	60.3
122.07271	2.5
123.03977	2.3
137.05971	100.0
137.09579	3.5
138.05414	1.4
138.05617	1.0
138.06400	3.4
147.56941	0.6
157.81052	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
50.45674	0.6
51.02385	0.7
53.03939	2.3
55.01857	0.7
64.94550	0.6
65.03941	2.9
66.04720	8.3
67.05499	3.2
69.04542	0.6
69.60201	3.9
77.03924	0.9
77.27888	0.5
78.11411	0.5
79.05492	7.5
81.03410	1.2
81.04531	2.2
81.06644	0.8
81.07062	6.9
82.07375	0.6
91.05478	9.8
93.07016	1.7
94.04187	52.5
95.04445	1.0
95.05009	3.2
95.08603	5.6
96.66412	0.5
97.06387	1.8
98.21457	0.6
105.03382	1.7
105.04522	0.9
107.04946	2.6
107.08498	0.6
109.06535	4.5
109.10176	1.0
110.07166	2.1
111.05550	0.9
119.04927	1.0
122.03648	68.3
123.03975	1.9
137.02391	1.6
137.05975	100.0
137.08199	2.1
137.09579	1.5
138.05446	1.5
138.06392	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02380	0.6
53.03938	1.0
53.44125	0.3
55.01865	0.7
63.87360	0.4
65.03945	1.6
66.04719	6.6
67.05502	2.4
69.07062	0.5
71.21477	0.6
77.03932	1.0
79.05492	5.3
81.03417	0.4
81.07042	4.1
91.04969	0.6
91.05486	4.4
93.07030	0.6
94.04185	47.0
95.04449	0.8
95.05014	1.8
95.08624	2.3
105.03390	0.8
107.04974	2.0
109.03655	0.4
109.06524	1.4
109.10156	0.6
110.07015	0.4
111.04446	0.3
122.03648	67.7
122.07272	0.9
123.03980	1.8
137.05975	100.0
137.09526	2.3
138.05464	1.3
138.06323	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
50.35265	0.5
53.03945	2.2
55.01874	1.1
55.05511	1.4
57.07069	1.1
62.48747	0.5
65.03944	3.0
66.04726	8.3
67.05502	6.4
67.65514	0.4
69.03432	0.9
69.07086	0.8
73.13816	0.4
77.03925	1.0
79.05494	7.2
81.03425	1.0
81.07056	11.8
91.05485	10.5
93.07047	1.8
94.04185	53.8
95.04488	1.1
95.05003	3.7
95.08604	9.9
96.04487	1.9
103.29198	0.5
103.88300	0.5
105.03397	1.5
105.04530	0.7
107.04959	3.0
109.06523	3.7
109.10133	1.0
110.06077	0.9
118.15317	0.6
119.04971	1.5
119.08585	1.3
122.03645	69.7
122.07289	1.9
123.04017	1.7
135.04404	0.7
137.02525	3.1
137.05974	100.0
137.09554	3.8
137.13205	1.2
138.01752	1.0
138.05484	8.6
138.06360	4.3
138.09084	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02383	0.7
53.03950	5.9
55.01856	1.3
55.05510	10.2
61.06082	0.6
62.99988	0.6
65.03934	1.9
65.99805	0.6
66.07278	0.6
67.05508	4.9
68.05011	1.2
69.07067	4.9
72.35387	0.6
77.03918	1.4
79.05495	29.4
80.05802	0.9
81.07065	5.8
89.03909	1.9
91.05482	40.1
92.05786	1.2
93.07043	63.5
94.07360	1.7
94.07868	1.4
95.04974	9.5
96.06890	0.9
105.04516	1.7
105.07030	14.6
107.04950	6.3
107.08592	100.0
108.08943	3.9
109.01120	1.1
109.06517	6.7
109.07632	1.1
115.05468	2.4
117.07014	2.5
119.06081	3.6
119.08578	11.4
120.09364	2.5
135.04440	6.6
135.08072	4.3
135.10713	1.5
135.11694	20.2
136.02167	12.3
136.05122	2.0
136.06187	5.7
136.07170	0.8
136.07631	0.9
136.08685	1.2
136.12059	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0619
Annotation	Adenine
Peak:m/z	Relative Intensity
50.88697	0.2
56.96548	0.3
59.06587	0.2
67.02981	0.6
71.21085	0.4
73.76684	0.2
81.07039	0.2
83.17770	0.2
91.05453	0.3
92.02484	0.6
94.04056	4.5
109.05132	0.7
112.05045	0.4
113.00887	0.3
119.03555	11.0
121.18032	0.2
131.01900	1.0
136.06187	100.0
137.04601	6.6
137.06651	2.4
137.11099	0.2
138.04808	0.2
141.64616	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	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03949	10.0
55.01873	4.0
55.05513	12.2
63.56190	0.7
65.03938	4.4
67.05507	46.3
68.05026	1.0
69.03434	1.5
69.07069	10.2
71.50733	0.6
71.51235	1.0
77.03903	1.2
77.53011	0.7
79.05497	86.1
80.05049	0.9
80.05820	2.0
81.03424	1.3
81.07057	36.4
82.07378	1.0
89.03910	4.9
90.04699	1.4
91.05486	38.2
91.60968	0.8
92.05806	1.7
93.07045	100.0
94.07373	3.4
95.04971	18.4
103.05510	0.8
105.04544	4.2
105.07041	11.4
107.04967	19.3
107.08598	61.1
108.04494	1.0
108.08177	1.0
108.08900	2.6
109.01086	5.1
109.05190	0.9
109.06535	3.8
110.03657	1.0
112.85319	0.7
115.05457	3.3
117.03377	2.1
117.07017	2.8
118.06506	1.7
119.03583	1.5
119.06103	1.9
119.08609	5.6
119.64059	0.7
120.05650	0.9
120.09310	1.7
120.61724	0.8
128.12489	0.9
133.10126	1.6
135.04410	14.1
135.05499	2.5
135.06512	1.7
135.08081	13.7
135.09039	1.6
135.11696	51.3
136.02170	66.4
136.03902	2.6
136.05151	5.3
136.06180	20.7
136.07555	3.9
136.12009	2.4
137.04607	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1168
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03948	9.6
54.19813	0.7
55.01869	9.4
55.05270	1.1
55.05511	11.7
64.97598	0.7
65.03926	4.1
67.05501	35.1
68.05017	2.2
69.03424	1.2
69.07062	7.9
71.51287	1.1
71.51672	0.9
77.03909	1.4
79.05492	78.7
80.05029	0.8
80.05821	2.7
81.03413	1.6
81.07050	25.8
82.07399	1.1
89.03913	3.0
91.05477	47.5
92.05800	1.7
93.07039	100.0
94.04058	1.3
94.07349	3.0
94.07867	1.4
95.04961	16.7
95.06042	0.7
96.06882	1.2
105.04515	3.4
105.06338	0.9
105.07023	13.9
106.07306	1.0
107.04956	19.3
107.06074	1.6
107.08587	75.0
108.04495	1.4
108.08894	2.8
109.01099	6.4
109.06503	5.5
109.07595	1.1
115.05441	4.4
117.06984	3.8
118.06509	1.2
119.03495	2.0
119.06055	3.4
119.08563	2.9
120.09364	1.3
127.22922	0.7
128.45503	0.7
133.10089	1.3
135.04410	14.5
135.05505	2.3
135.06520	1.8
135.08060	28.1
135.11687	45.5
136.02158	76.0
136.03906	2.5
136.05144	4.1
136.06161	30.8
136.07549	3.9
136.08502	1.5
136.12021	2.7
136.45726	0.7
137.04585	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	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03946	7.1
55.01867	0.9
55.05507	8.3
57.07075	0.9
65.03945	3.3
67.05499	3.5
68.05029	1.0
69.07063	1.8
71.08482	1.5
71.08807	0.8
77.03938	1.6
79.05491	27.0
81.07033	2.0
91.05481	60.5
92.05785	1.4
92.06297	0.9
93.07041	42.9
94.07350	1.4
95.04970	9.3
95.08601	1.8
96.06865	1.7
99.46181	0.8
103.05489	1.9
104.06257	1.1
105.04512	3.2
105.07029	28.4
106.07862	1.2
107.04948	5.5
107.08591	100.0
108.08949	3.4
109.06518	9.3
109.07646	2.0
115.05457	1.6
117.07024	3.8
119.06094	4.8
119.08580	20.6
120.09399	7.6
124.05144	0.9
129.34319	0.8
133.10150	1.3
135.04424	3.5
135.08066	11.6
135.11685	26.2
136.02145	5.0
136.06163	4.9
136.08635	1.1
136.12015	1.5
137.09599	0.8
147.09129	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0451
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	20.0
69.91579	38.5
74.02444	100.0
88.03983	60.5
88.51702	16.7
100.02494	12.1
101.00851	13.3
106.43736	9.0
118.03538	12.3
119.01933	27.6
129.41599	10.5
131.01865	11.0
137.50014	38.9
138.00099	10.2
138.49948	10.7
149.00790	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	135.0804
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
53.03944	7.6
55.01870	16.8
55.05499	2.4
65.03934	9.3
67.05503	10.0
68.40742	0.9
69.03426	11.4
69.07076	1.3
69.35264	7.7
69.35667	1.2
77.03920	1.8
79.05489	66.8
80.05012	2.2
80.05817	1.8
81.03407	2.3
81.07034	2.6
89.03924	4.9
90.04679	1.2
91.05476	100.0
92.05801	2.9
92.06258	2.9
93.07044	21.6
95.04962	17.4
105.04483	2.8
105.07027	33.6
106.07366	1.2
107.04954	24.3
107.06084	1.0
107.08589	58.6
108.04440	0.9
108.08904	2.2
109.01088	6.6
109.06511	14.8
110.03685	1.2
115.05441	27.1
117.03371	1.4
117.07015	23.9
118.06521	1.2
118.07340	1.3
119.03547	2.8
119.06055	7.7
119.08572	4.1
120.05716	2.6
120.09395	1.2
124.05199	1.4
135.04437	16.9
135.05466	2.2
135.06619	2.3
135.08047	42.5
135.11676	9.8
136.02156	80.3
136.05083	5.5
136.06183	25.8
136.07501	3.8
136.08481	2.4
136.11154	1.1
137.04579	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	134.045
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55377	0.2
56.96549	0.4
57.03440	1.3
58.99870	0.6
59.06121	0.2
61.50128	0.2
61.50890	0.2
68.00388	0.6
68.15850	0.2
68.50420	0.2
69.03431	0.6
70.50647	0.7
71.05316	0.5
71.50529	0.3
72.52959	0.3
73.02901	0.6
75.05603	0.4
77.00890	1.2
77.50980	0.2
78.00809	0.2
78.52972	0.3
79.05504	1.2
79.51170	6.1
80.01208	1.5
80.04996	0.2
80.51031	1.2
81.03420	0.3
82.01426	1.1
84.52977	0.2
85.01402	0.2
85.02894	0.3
86.52699	0.9
87.05581	0.6
88.02667	1.0
88.51696	58.2
89.01739	15.9
89.51558	15.8
89.97125	0.3
90.01611	0.7
91.01948	1.4
91.05490	0.6
91.52002	0.3
92.47382	0.3
93.07058	0.4
93.53465	0.3
95.04959	0.3
95.52465	0.4
95.53195	0.3
97.52217	6.1
98.02269	1.8
98.52064	1.2
98.97643	0.4
99.02132	0.2
100.02482	13.9
100.52530	3.5
101.00863	1.1
101.02325	2.7
101.47961	0.7
102.00933	0.2
102.02345	0.6
103.02406	0.3
104.52686	0.2
105.03393	0.3
105.07012	0.3
106.07394	0.3
107.04974	1.1
107.08611	0.3
107.98145	1.5
108.48212	0.3
108.54887	0.2
108.98067	0.6
109.02973	0.6
110.48377	1.2
110.51157	0.2
110.98439	0.4
111.02953	0.9
111.48341	0.3
111.53280	1.1
112.03329	0.5
113.53149	0.2
115.02445	0.3
116.98693	5.7
117.06978	0.2
117.48739	1.5
117.98532	1.8
118.03497	2.1
119.01921	5.5
119.03593	0.4
119.48945	3.4
119.98990	0.9
120.01993	1.6
120.03299	0.5
120.04227	0.2
120.48789	1.8
121.01662	1.5
121.02885	0.4
121.99359	0.2
122.53707	0.5
123.04047	0.3
124.02424	0.2
125.99225	25.5
126.49261	7.6
126.99091	7.0
127.49141	0.8
128.49487	27.9
128.99529	8.3
129.03972	0.4
129.49348	9.1
129.99358	0.5
130.99719	0.8
131.01912	1.2
131.49811	0.3
131.53175	0.5
131.99628	0.4
134.03598	0.5
134.04732	0.2
134.06050	0.4
134.07080	0.6
134.99727	1.3
135.04408	0.9
135.08060	0.3
137.02963	2.4
137.50011	100.0
138.00050	30.1
138.02937	0.9
138.49873	34.8
138.99913	2.8
139.02711	0.7
139.50107	0.2
139.99213	0.3
140.00279	6.3
140.50317	2.1
140.99144	0.3
141.00157	2.4
141.04994	0.2
141.50114	0.2
142.03496	2.9
143.03624	1.0
144.03233	0.8
144.50803	0.4
145.03523	0.3
146.50533	2.3
147.00555	0.6
147.05011	0.6
147.50410	0.7
149.00809	15.0
149.50854	5.0
150.00690	6.0
150.50769	0.6
151.51138	0.6
152.01176	0.3
154.03517	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.0
53.03947	3.0
55.01880	0.9
55.05516	3.0
65.03934	1.0
67.05493	1.0
69.93533	2.4
77.03928	2.0
79.05492	11.6
91.05480	22.9
92.05794	1.0
93.07040	6.0
95.04971	4.8
99.11810	0.5
103.05470	6.5
105.03407	5.4
105.07030	74.8
106.06725	0.7
106.07341	3.1
107.08571	1.2
115.05451	7.2
116.06234	0.8
117.07027	6.6
118.04135	0.7
118.07814	9.5
123.04404	0.8
129.07024	0.8
131.08569	7.0
133.02899	3.3
133.03790	0.6
133.06511	9.3
133.10127	100.0
134.05984	0.6
134.06947	0.7
134.10458	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	133.1013
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03939	1.4
55.05502	2.7
71.11972	1.2
79.05501	7.4
91.05482	20.3
93.07051	5.7
95.04945	1.2
103.05456	3.5
105.07030	53.2
106.07345	2.1
107.08575	1.2
114.35472	0.6
115.05460	7.7
116.06207	1.8
117.07032	8.8
118.07809	7.8
129.07021	0.7
131.08548	6.9
133.10129	100.0
134.10458	5.5
137.78471	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84174	0.4
52.43885	0.3
53.03947	1.7
53.50788	0.3
53.89033	0.4
55.05512	1.9
55.07004	0.4
55.47645	0.4
57.14980	0.4
61.03452	0.4
64.58459	0.4
65.03938	0.4
67.05495	0.8
69.32446	0.8
69.32861	2.4
77.03928	0.6
79.05073	0.7
79.05496	7.9
83.40540	0.4
89.52509	0.4
91.05486	22.7
92.05819	0.9
93.07040	6.4
95.04984	1.8
103.05481	4.2
105.03393	0.5
105.07034	57.5
106.07361	2.5
107.08593	1.6
115.05452	6.8
115.06188	0.6
116.06228	1.1
117.07017	9.5
118.07811	9.4
129.06996	0.6
131.08583	7.4
131.43375	0.4
133.10132	100.0
134.10471	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	133.1012
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
50.55442	0.5
53.03935	1.3
54.32989	0.6
55.05500	2.2
58.51628	0.6
58.74411	0.5
61.48137	0.5
65.03934	0.6
66.79324	0.6
67.05504	0.7
69.23839	5.2
69.24162	0.6
77.03925	1.1
79.05076	0.7
79.05491	7.9
91.05482	19.1
92.05786	1.0
93.07044	6.0
95.04957	2.3
98.20777	0.9
103.05465	4.2
105.07032	51.1
106.07364	2.2
107.08565	1.3
115.05449	7.5
116.06204	1.0
117.07030	8.5
118.07810	9.9
119.46699	0.5
129.06958	0.7
131.08563	7.7
132.08847	0.8
133.10129	100.0
134.10451	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	133.0649
Annotation	2-Indanone
Peak:m/z	Relative Intensity
50.01594	1.2
51.02377	4.1
53.03948	14.6
55.01871	5.5
55.05502	1.7
56.96575	1.1
58.05317	0.8
65.03931	1.1
67.05503	1.4
70.16372	0.9
70.16769	1.1
70.67282	0.5
70.98109	0.5
73.23672	0.4
77.03928	11.1
79.05495	25.8
80.05811	1.0
81.03428	2.6
87.05605	0.7
91.05483	12.7
93.07047	1.6
95.04967	24.1
96.05305	0.7
98.01278	0.5
103.05466	16.7
105.03394	75.9
105.04430	7.2
105.07030	100.0
106.03719	2.1
106.04835	0.7
106.06712	0.6
106.07337	2.8
115.05453	5.9
117.07020	2.5
118.04171	1.4
118.07796	2.4
123.04436	8.3
131.04930	1.2
131.08522	2.6
132.05672	0.6
133.02858	20.1
133.03967	5.0
133.06494	39.3
133.10132	14.3
134.03331	0.6
134.05952	0.6
134.06862	1.5
139.64647	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0648
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01606	0.9
51.02377	5.9
53.03947	16.7
54.74765	0.9
55.01876	5.5
64.37334	0.8
67.05494	1.5
71.11922	1.4
71.12266	1.1
73.02812	1.0
77.03922	11.7
77.79267	0.9
79.05488	20.0
80.05865	0.8
81.03393	2.1
89.03900	1.0
90.04699	3.1
91.05473	8.0
95.04961	27.6
103.05460	14.0
104.05796	0.9
105.02648	1.8
105.03388	90.4
105.04414	7.0
105.07025	100.0
106.03741	4.4
106.07349	3.4
107.04942	1.9
115.05427	5.8
118.04148	11.5
119.04506	1.1
120.15258	1.0
123.04411	10.0
131.04939	2.2
133.02844	20.2
133.03957	5.5
133.06487	80.6
133.10094	7.5
134.06865	4.4
138.87724	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.9
57.03431	1.3
59.32121	0.7
65.03938	1.9
67.05496	0.7
69.03432	1.8
69.45016	0.7
70.03772	2.9
70.47202	2.7
85.08478	2.3
86.09716	0.9
91.05479	100.0
92.05807	3.3
94.35003	0.6
95.04953	3.1
103.05465	35.4
104.05809	2.3
105.04485	1.1
105.24384	0.6
109.06517	0.7
113.07928	10.0
115.05449	6.1
115.38578	0.6
116.06238	20.9
117.05800	0.8
117.06603	0.8
128.06273	1.4
129.06999	12.9
131.04941	9.1
131.08554	87.2
132.08066	3.2
132.08904	5.3
133.06453	1.5
140.78229	0.8
141.90408	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.102
Annotation	Isoleucine
Peak:m/z	Relative Intensity
52.07473	0.5
56.96568	0.6
58.81671	0.4
69.07056	1.3
70.08256	1.3
70.08644	1.1
82.02887	0.5
86.09702	100.0
87.10024	2.4
100.02506	0.7
119.56754	0.5
132.10194	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0285
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01592	1.2
51.02186	0.6
51.02382	5.7
53.03948	16.6
54.04283	0.5
55.01863	1.7
63.83450	0.4
67.05491	1.0
71.51374	0.8
77.03926	12.5
78.04249	0.5
79.05491	2.1
80.58219	0.5
81.03416	3.1
91.05468	3.1
92.93042	0.4
95.04965	23.7
101.43831	0.4
103.05473	1.6
105.03391	100.0
105.04528	6.6
105.07024	11.8
106.03734	3.7
115.05460	1.1
118.06454	0.5
118.07794	0.7
123.04431	11.5
131.08594	0.7
133.02856	22.7
133.03969	7.4
133.06490	3.8
133.10127	6.2
134.03218	1.1
134.10437	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0649
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	2.8
53.03947	8.7
55.01872	5.9
55.05497	1.1
58.05339	0.6
65.03944	0.8
71.11981	1.1
77.03921	6.2
79.05489	25.9
80.78140	0.5
81.03426	1.2
88.93300	0.5
90.04707	1.0
91.05483	8.7
93.07024	1.2
95.04375	1.1
95.04964	14.8
96.05276	0.7
98.32974	0.6
103.05466	15.5
105.03393	39.3
105.04456	4.9
105.07026	100.0
106.03698	1.0
106.06660	0.5
106.07346	2.9
115.05437	6.3
117.07009	1.3
118.04152	3.1
118.07816	0.8
123.04443	5.3
123.08024	0.8
126.80605	0.6
131.04947	0.9
131.08565	1.1
133.02852	10.4
133.03938	1.7
133.06490	50.9
133.10124	7.1
134.06895	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	0.9
53.03949	4.3
55.01874	0.3
56.79004	0.2
58.08783	0.2
69.56503	1.7
73.42958	0.3
77.03931	1.1
81.03426	0.7
85.08453	0.3
91.05487	4.4
95.04971	6.5
102.04678	1.8
103.05469	100.0
103.83818	0.2
104.05788	3.6
105.04501	1.8
113.07928	0.8
115.05452	0.6
116.06236	1.0
121.77599	0.2
129.06967	0.4
131.04930	27.0
131.08559	3.2
132.05225	1.2
140.98528	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.3
53.03946	3.2
53.49868	0.2
54.39925	0.2
58.36776	0.2
69.03428	0.4
69.78477	1.1
70.03793	0.2
71.04971	0.2
72.86745	0.2
77.03925	0.9
81.03391	0.3
86.09698	0.5
91.05479	3.1
91.17339	0.2
92.05802	0.2
95.04964	5.7
98.21467	0.2
102.04678	0.9
103.05464	100.0
104.05795	3.7
105.04511	1.5
113.07940	0.7
115.05431	0.4
116.06258	1.2
125.71468	0.2
129.07001	0.6
131.04924	11.6
131.08545	2.5
132.05263	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0491
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.6
52.37062	0.2
53.03946	3.8
69.16327	0.6
69.16744	1.6
71.79218	0.2
77.03907	1.0
81.03423	0.4
91.05479	1.1
95.04967	5.5
96.05292	0.2
102.04684	1.5
103.05463	100.0
104.05791	3.8
105.04501	1.7
113.07935	0.6
113.29441	0.2
116.06203	0.2
127.23758	0.2
131.04926	15.1
131.08566	0.7
132.05292	0.6
142.51689	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	0.5
53.03945	4.1
62.52792	0.3
69.03413	0.3
69.38269	0.8
69.38695	1.2
70.03759	0.4
76.50159	0.2
77.03915	0.7
81.03408	0.5
81.26407	0.2
84.08133	0.3
85.02862	0.3
86.09698	0.7
91.05486	6.6
95.04966	5.5
96.05296	0.2
98.04794	0.3
98.21527	0.5
100.59766	0.2
102.04665	1.3
103.05465	100.0
104.05804	4.0
105.04514	1.8
113.07928	1.9
115.05452	1.0
116.06246	1.6
129.07001	1.1
131.04927	14.7
131.08543	4.5
132.05258	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01597	0.3
50.06910	0.2
51.02378	0.5
53.03944	4.3
55.56130	0.2
56.05037	0.3
57.03426	0.3
58.06615	0.2
60.04495	0.3
65.03936	0.3
69.03419	0.6
70.03758	0.8
70.76064	0.5
77.03931	0.7
81.03429	0.4
83.06107	0.3
85.04841	0.3
85.08468	0.6
86.06052	0.3
86.09708	0.2
91.05479	18.9
92.05799	0.6
95.04963	6.0
96.05264	0.2
98.04785	0.2
102.04680	1.3
103.05463	100.0
104.05790	4.1
105.04515	1.3
105.07023	0.2
107.80438	0.2
112.99556	0.2
113.07193	0.4
113.07932	2.6
115.05456	2.3
116.06245	6.9
116.31525	0.2
117.05774	0.2
125.98932	0.2
128.06224	0.5
129.07001	2.6
130.07303	0.2
131.04924	16.3
131.06926	0.6
131.08553	11.6
132.04391	0.3
132.05289	0.6
132.08023	0.4
132.08876	0.5
133.06483	0.2
141.94777	0.2
144.08118	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01597	0.4
51.02375	0.7
52.30709	0.4
53.03947	8.0
56.48645	0.4
71.32715	0.4
71.50718	0.5
77.03927	1.5
81.03407	0.6
82.10885	0.4
85.08463	0.4
91.05479	4.1
95.04971	11.3
102.04697	2.6
103.05466	100.0
104.05814	3.3
105.04520	3.1
113.07946	1.6
115.05482	0.5
116.06226	1.4
129.07030	0.7
131.04929	74.1
131.08528	3.1
132.05292	3.0
137.81389	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.6
53.03945	3.1
55.01841	0.2
56.05015	0.2
68.43922	0.1
70.03760	0.3
70.78758	0.4
72.04497	0.2
72.08149	0.2
77.03915	1.1
81.03423	0.3
81.90919	0.1
85.08476	0.2
91.05482	0.7
95.04961	5.4
102.04697	0.9
103.05460	100.0
104.05786	4.1
105.04504	1.4
113.07938	0.5
116.06232	0.3
129.06987	0.2
131.04924	10.4
131.08592	0.5
132.05273	0.4
144.08044	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	125.0234
Annotation	2-Hydroxy-1,4-benzoquinone
Peak:m/z	Relative Intensity
51.02382	1.0
53.00313	1.1
53.03951	5.5
55.01871	1.4
57.03445	1.1
59.06121	0.9
63.79263	0.4
65.03911	0.6
67.05499	1.1
68.05027	0.7
69.03429	75.6
69.07065	1.6
69.17606	5.0
69.18007	1.0
70.03760	1.0
74.88361	0.4
77.03960	0.4
79.01850	3.2
79.05493	17.2
80.59114	0.4
81.03419	14.2
81.07054	2.1
82.06584	0.5
83.04979	1.1
88.70837	0.5
90.28993	0.4
95.04974	2.6
95.21788	0.4
97.02890	100.0
97.06521	2.8
98.03197	2.0
98.20743	0.8
105.04529	0.6
107.01324	0.5
107.04955	4.1
110.03651	1.1
112.72904	0.4
125.02353	46.4
125.05984	15.1
126.02684	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.039
Annotation	Benzene-1,2,4-triol
Peak:m/z	Relative Intensity
53.03947	30.1
55.01875	12.1
55.75609	1.8
57.03419	3.6
69.03422	26.3
71.04993	35.7
71.47253	2.0
72.76180	1.8
75.82555	2.1
81.03415	14.1
83.01332	7.6
83.04961	3.3
85.02901	33.6
97.02890	100.0
99.04457	42.4
109.02882	17.5
115.03927	2.9
118.35952	1.9
127.03912	95.2
128.04276	2.6
138.36153	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	124.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23127	0.2
56.96555	0.3
58.99870	0.2
59.27581	0.1
60.00641	0.2
62.77055	0.1
63.64034	0.2
70.80069	0.2
70.80400	0.3
77.00904	0.3
82.01408	0.4
82.99830	1.4
83.01494	0.3
84.01183	0.2
95.05082	0.2
100.02472	1.2
101.00876	20.5
101.02547	2.1
102.00951	0.8
102.02230	0.7
107.06061	0.2
118.03520	0.6
119.01915	100.0
120.01988	4.9
120.03291	0.6
121.02347	0.3
124.02456	0.7
124.03970	0.3
124.05891	0.3
124.08701	0.3
137.02950	37.1
138.03021	2.1
139.03378	0.2
142.03490	5.8
143.03644	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	125.0234
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	1.1
53.00306	1.5
53.03948	8.6
55.01868	2.0
55.05499	1.7
56.05020	1.4
57.03431	1.3
58.06587	0.8
59.06107	2.4
65.03920	2.5
67.05488	3.3
68.05018	3.5
69.03428	74.0
69.07062	3.2
69.20705	7.9
73.02917	0.7
79.01855	3.7
79.05489	24.2
80.05031	0.7
80.05827	0.9
81.03416	37.8
81.07053	4.8
82.03728	0.8
83.04973	1.7
86.08437	1.3
89.72404	0.7
91.05450	0.9
95.04968	4.3
97.02889	92.8
97.06517	4.0
97.20801	0.7
98.03228	1.6
98.21678	1.0
105.04539	1.7
107.01293	1.3
107.04950	7.5
110.03678	2.5
111.04442	0.9
125.02351	100.0
125.05985	41.0
125.06989	1.4
126.02686	2.1
126.06313	1.3
126.10255	1.8
130.30296	0.7
141.59756	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	125.0234
Annotation	2-Hydroxy-1,4-benzoquinone
Peak:m/z	Relative Intensity
51.02375	0.7
53.00306	2.1
53.03943	6.6
55.01871	0.9
63.34832	0.4
65.90474	0.4
67.05502	1.0
67.82535	0.4
69.03428	65.6
69.07062	0.8
70.03770	1.2
70.48377	1.2
70.48774	0.9
72.56047	0.5
79.01862	3.1
79.05492	9.9
81.03417	28.3
81.07046	2.1
95.04957	1.6
97.02889	76.7
97.06525	1.6
98.03221	1.2
98.41780	0.4
99.67517	0.4
107.01318	1.2
107.04953	3.0
110.03634	0.7
125.02348	100.0
125.05970	12.8
125.06886	0.9
126.02686	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	124.0245
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99864	0.2
70.92720	0.2
70.93047	0.3
76.32145	0.2
79.32114	0.1
81.15917	0.2
82.01434	0.3
82.99824	1.0
83.01537	0.5
84.01161	0.2
85.50188	0.1
89.42743	0.1
90.18864	0.2
100.02477	1.6
101.00874	15.7
101.02547	3.4
102.00986	0.6
102.02228	1.1
106.79884	0.2
118.03528	1.0
119.01915	100.0
120.01987	3.9
120.03279	0.6
121.02335	0.4
124.02438	0.4
137.02948	45.4
138.03026	1.8
139.03331	0.3
142.03494	7.2
143.03674	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0245
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68409	0.2
56.96563	0.6
57.03435	0.4
58.99857	1.1
59.46887	0.2
60.00651	0.4
69.03437	0.3
70.99848	1.1
71.37180	0.2
71.37521	0.4
77.00909	1.0
80.05031	0.5
81.05340	0.2
81.85333	0.2
82.01449	0.8
82.99837	1.4
83.01491	1.4
84.01203	0.8
89.00894	0.8
90.22650	0.2
92.17320	0.2
96.04477	0.3
100.02480	2.6
101.00875	21.4
101.02551	7.2
102.00974	0.9
102.02224	3.4
102.85590	0.2
103.00581	0.3
109.02870	0.2
118.03502	1.1
119.01917	100.0
119.03635	4.1
120.01090	0.4
120.01992	4.6
120.03221	1.9
121.01643	0.4
124.02440	0.7
124.03973	1.0
124.05894	0.8
126.83438	0.3
133.01692	0.3
137.02950	37.0
138.03032	1.9
141.65582	0.2
142.03490	6.6
143.03633	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.117
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.7
51.65287	0.5
53.03941	4.3
55.05507	4.3
56.05037	0.6
57.07078	3.1
65.03951	1.3
67.05502	13.2
68.05031	1.3
69.07065	1.9
69.22012	6.3
70.06564	0.8
77.03891	0.6
78.03452	1.7
79.05492	17.3
80.05006	5.8
81.03452	0.7
81.04533	0.9
81.07055	100.0
82.07396	2.8
83.06100	1.2
90.93918	0.6
93.07035	1.2
94.07813	0.6
95.04965	18.9
95.08598	8.7
96.04492	6.7
96.05095	0.9
97.07652	1.1
100.02506	1.0
105.04531	1.4
107.04929	0.6
107.06053	1.4
109.93784	0.5
112.03973	1.4
118.03543	0.7
122.02399	1.5
123.04442	4.4
123.05561	6.5
123.06634	0.7
123.07355	0.8
123.08206	2.6
123.11700	12.1
124.03951	24.9
124.08723	2.4
140.03416	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	123.0806
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
50.01569	0.8
51.02376	2.3
53.00297	0.5
53.03945	12.0
54.03452	1.0
55.01873	2.3
55.05513	6.3
56.05025	1.8
57.07057	1.4
63.98190	0.5
65.03941	5.6
67.05503	50.3
68.05016	1.1
68.05827	1.6
69.03427	0.9
69.07064	0.5
69.16826	5.6
71.10224	0.4
76.10970	0.5
77.03933	3.8
79.05490	12.8
79.12327	0.4
80.05015	8.1
80.05805	0.5
80.06263	0.9
81.03423	2.9
81.04548	2.2
81.07053	25.0
82.07362	1.1
83.06104	1.6
91.05465	2.4
93.07045	5.5
95.01326	1.4
95.04965	100.0
95.08601	28.0
96.04513	3.4
96.05252	2.9
96.08934	0.8
97.07651	1.9
97.32722	0.4
100.02487	1.6
103.05469	1.0
105.03407	4.4
105.04504	6.8
105.07018	5.3
107.04969	2.2
107.06068	2.2
108.05729	12.1
109.06083	0.9
112.03999	1.5
118.03515	1.4
119.01918	1.8
121.06510	1.7
123.04443	30.0
123.05557	13.4
123.08077	27.0
123.11688	4.6
124.03959	7.2
124.04819	1.0
124.07655	0.6
124.08678	4.3
124.12066	0.6
134.75139	0.4
137.02983	0.9
140.03365	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0555
Annotation	Picolinamide
Peak:m/z	Relative Intensity
53.03947	1.3
53.35405	0.2
55.01863	1.2
57.03437	4.9
58.87148	0.3
58.99847	1.7
59.52184	0.3
65.52203	0.4
68.02644	1.3
68.05029	0.3
69.03435	1.5
70.37030	0.5
70.37403	0.4
70.99846	0.7
71.01358	0.3
71.28156	0.3
73.02922	1.5
75.77937	0.2
77.00892	1.8
78.03456	12.0
78.52949	0.8
79.51926	0.7
80.02076	0.3
80.05018	39.9
80.52711	0.6
81.03421	2.3
81.05345	0.6
82.01446	10.0
82.99857	0.7
83.01516	0.6
85.02890	1.6
85.53723	0.5
86.03681	1.4
86.52702	0.5
87.53449	0.6
88.02665	1.5
89.00865	0.8
89.02561	0.3
90.52965	0.3
91.03128	0.3
92.52707	0.4
93.53490	0.4
95.01945	0.4
95.04981	1.8
95.06077	0.4
96.04493	13.2
97.02856	0.6
99.53450	0.4
100.00108	0.8
100.02482	55.8
101.00203	0.7
101.00876	11.9
101.02565	4.0
102.02337	0.9
102.02975	0.3
103.00598	0.3
103.02406	0.6
105.04477	0.5
106.02917	20.3
107.03236	0.6
109.02860	1.5
111.03012	0.4
113.00866	0.4
115.02416	0.8
118.01184	2.8
118.03522	35.6
119.01921	62.4
119.03600	3.1
120.02007	0.6
120.03271	0.6
121.01646	0.8
121.02428	0.5
121.03391	0.3
123.05551	100.0
124.02460	0.9
124.03962	3.0
124.05918	2.5
124.07587	0.4
131.01909	3.7
132.01967	0.4
133.01645	0.7
133.03459	0.8
136.02151	0.4
136.04570	0.5
137.02957	24.1
141.02733	1.7
141.05072	1.3
142.03516	5.9
144.03174	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0556
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.2
53.03941	0.7
55.01842	0.1
55.05508	0.2
56.05019	0.1
56.35756	0.1
56.79620	0.1
56.96555	0.3
57.03438	0.2
58.99851	0.3
65.03951	0.2
67.05508	0.4
68.05027	0.5
71.47021	0.2
77.00899	0.2
78.03453	2.2
79.04224	0.3
79.05476	0.2
80.05015	41.2
81.03429	0.2
81.05353	0.8
81.07045	0.3
82.01443	4.0
82.99837	0.4
83.06107	0.3
87.20184	0.1
95.04965	4.6
95.06100	0.4
95.08594	0.1
96.04491	11.4
97.04829	0.2
100.02480	19.2
101.00874	7.4
101.02551	1.1
101.65405	0.2
105.04530	0.5
106.02903	2.4
107.06033	0.1
118.01192	0.2
118.03522	12.2
119.01917	38.4
119.03617	0.9
123.05548	100.0
124.02493	0.3
124.03944	2.8
124.05898	2.6
124.08732	0.4
131.01892	0.2
131.13728	0.1
136.04553	0.3
137.02950	15.6
141.02641	0.1
141.05092	0.4
142.03487	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	123.0556
Annotation	Picolinamide
Peak:m/z	Relative Intensity
51.02372	0.2
53.03949	1.6
54.03482	0.2
55.01874	0.3
56.05035	0.4
56.96555	0.7
57.03431	0.6
58.99860	0.5
63.32681	0.2
66.54189	0.2
66.92640	0.2
67.05499	0.5
68.05025	0.5
70.71729	0.7
77.03928	0.3
78.03451	2.7
79.05495	0.4
79.40322	0.2
80.05016	43.9
81.03432	0.5
81.04549	0.4
81.05359	0.8
81.07063	0.6
82.01442	4.8
82.99837	0.7
83.01511	0.4
83.06116	0.3
95.04966	9.0
95.06078	0.6
96.04491	12.9
97.04839	0.4
98.97579	0.4
100.02481	26.3
101.00877	8.2
101.02534	1.4
105.04511	0.8
106.02918	3.0
107.06084	0.4
118.01145	0.3
118.03522	15.0
119.01920	42.1
119.03667	0.9
123.05550	100.0
124.02507	0.2
124.03967	2.9
124.04919	0.2
124.05097	0.2
124.05898	2.4
124.08730	0.6
136.04549	0.6
137.02954	17.0
141.05072	0.6
142.03490	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	123.0806
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
50.43018	1.1
50.46292	0.9
51.02367	1.1
53.03947	14.7
54.03451	1.2
55.01867	2.3
55.05508	19.6
56.05031	2.3
57.07066	1.4
63.87134	0.8
65.03940	6.0
67.05502	91.9
67.98765	1.0
68.05025	3.0
68.05827	3.4
69.03424	2.0
69.07041	1.2
70.47565	3.1
77.03944	4.5
78.03463	1.3
79.05490	17.3
80.05016	11.1
80.05788	1.0
80.06251	1.8
81.03410	4.1
81.04531	3.9
81.07054	35.1
82.05333	0.9
83.06105	4.9
91.05475	4.3
93.07041	13.8
95.01313	1.3
95.04964	100.0
95.08602	79.9
96.04495	4.8
96.05288	3.1
96.08906	1.9
97.07648	3.2
100.02473	3.9
100.89953	1.1
103.05527	1.0
105.03412	2.4
105.04513	5.5
105.07024	10.3
107.04939	4.6
107.06068	5.1
108.05740	23.1
108.09348	0.9
112.03978	2.9
112.15845	0.9
115.38615	1.0
118.03512	3.3
119.01926	3.4
121.06527	3.2
123.04433	25.8
123.05547	22.8
123.08068	58.7
123.11690	9.4
124.03960	8.0
124.04779	1.7
124.07640	1.9
124.08667	8.4
134.07834	1.0
137.02989	1.1
140.03407	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0441
Annotation	Tropolone
Peak:m/z	Relative Intensity
51.02370	1.2
53.00297	0.8
53.03944	12.2
55.01866	1.1
55.08185	0.4
55.79966	0.4
57.64669	0.4
58.39076	0.4
62.02500	0.4
65.03931	2.0
67.01856	1.4
67.05501	11.8
71.11375	0.9
77.03925	2.8
77.94752	0.4
79.05495	0.9
79.56733	0.4
80.05009	0.8
80.44238	0.4
81.03421	1.2
81.07050	1.1
95.01328	13.0
95.04963	100.0
96.01673	0.4
96.05299	2.1
105.03407	2.7
105.04501	6.2
105.05157	0.6
112.84728	0.4
118.06542	0.5
121.02823	0.5
123.00808	0.6
123.04426	23.8
123.05367	0.8
123.08070	0.7
124.04758	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0406
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.2
55.01870	0.6
56.96571	0.4
57.03444	2.1
58.99837	2.3
67.05506	1.7
68.02597	0.5
69.03438	0.9
70.72501	0.4
70.72832	0.9
70.99866	0.7
73.02889	0.6
77.00906	1.6
78.03465	1.1
79.05483	0.9
79.09556	0.4
79.16543	0.3
80.05016	7.4
81.03432	1.6
81.07063	1.2
82.01440	16.7
82.99863	1.1
83.01519	0.8
85.02910	0.6
88.02673	0.9
89.00882	0.6
95.01939	0.7
95.04968	13.0
96.04485	3.2
97.02850	0.6
98.97588	0.4
100.02480	90.8
101.00877	19.8
101.02554	4.9
102.02412	0.7
105.04511	0.9
106.02927	1.8
115.02409	0.4
118.01134	1.4
118.03520	57.0
119.01918	100.0
119.03637	4.0
120.03962	0.4
123.04309	2.7
123.05540	16.3
124.02453	0.7
124.03942	1.6
131.01901	2.2
133.03436	0.5
136.04556	2.3
137.02951	42.3
141.02692	0.4
141.05078	1.9
142.03510	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	123.0406
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80278	0.6
58.99857	1.3
59.78708	0.6
62.18657	0.6
71.50197	0.9
82.01444	18.3
82.99854	0.9
83.01505	1.0
83.99170	0.6
89.01769	0.8
100.02483	67.3
101.00880	20.3
101.02565	3.3
116.23811	0.6
118.03523	36.0
119.01920	100.0
119.03657	2.3
123.04043	1.2
124.02456	0.8
132.16164	0.6
137.02957	32.7
141.05060	1.3
142.03459	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	123.0405
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.4
55.01875	0.7
56.96549	0.8
57.03433	3.3
58.99858	1.5
60.77337	0.5
67.05514	0.9
68.02637	1.3
69.03425	1.1
69.85605	2.3
73.02907	0.7
77.00911	1.5
77.98169	0.5
78.03465	2.2
78.52940	0.8
79.05489	0.6
80.05010	11.1
81.03407	2.0
82.01437	21.5
82.99834	1.1
83.01524	1.6
85.02888	0.5
86.03698	1.1
86.51418	0.4
88.02657	0.7
89.00896	0.5
93.32673	0.4
95.01936	0.4
95.04967	6.8
96.04497	3.7
96.77684	0.4
98.21443	0.4
98.97598	0.7
100.02474	100.0
101.00874	12.2
101.02556	5.9
102.02377	1.2
105.04494	0.6
106.02910	3.8
111.02892	0.6
118.01211	2.3
118.03513	63.9
119.01911	54.2
119.03583	3.3
120.03988	0.5
121.01626	0.5
123.04154	3.3
123.05540	29.5
124.03931	2.2
124.05930	0.6
131.01909	2.1
132.02037	0.5
133.03436	0.9
136.02144	0.6
136.04568	0.7
137.02946	19.3
141.02655	1.0
141.05063	2.3
142.03485	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	123.0442
Annotation	Tropolone
Peak:m/z	Relative Intensity
50.01587	0.4
51.02375	1.4
53.03946	11.3
54.03458	1.1
54.04267	0.4
55.01873	1.8
55.05510	2.2
56.05030	2.8
57.07066	0.9
58.06588	0.4
65.03937	3.0
67.05503	19.8
68.05024	3.0
68.05840	0.5
69.04544	0.4
70.06577	0.9
70.15321	0.3
70.79724	0.7
70.80127	0.5
77.03942	2.1
78.03446	0.9
79.05492	10.2
80.05016	11.9
81.03427	2.3
81.04540	3.1
81.07053	17.7
82.05321	0.7
83.05642	0.5
83.06099	3.6
91.05477	0.9
93.07047	2.0
95.01337	0.7
95.04966	100.0
95.08604	8.2
96.04492	7.5
96.05298	2.0
96.08130	0.6
97.07661	2.6
100.02487	3.9
101.00861	0.4
103.05503	0.6
105.03423	1.9
105.04513	6.0
105.07039	2.3
106.02939	0.3
107.04973	0.6
107.06081	3.4
108.05741	2.4
112.03949	2.1
118.03516	3.5
119.01945	1.9
121.22214	0.3
122.02392	0.6
123.04436	22.7
123.05550	20.7
123.06293	0.9
123.07342	0.6
123.08143	8.3
123.09187	1.4
123.11692	2.4
124.03952	20.0
124.04748	1.0
124.07706	0.7
124.08705	5.7
137.02989	0.9
140.03419	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	121.1014
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
51.02365	1.1
53.03720	0.6
53.03943	9.4
54.03454	1.5
55.01862	1.1
55.05485	1.5
58.02946	0.6
65.03938	4.4
66.04280	0.5
67.05482	2.3
70.65029	1.7
77.03919	1.2
77.22607	0.5
79.05491	38.7
80.05823	0.8
81.03425	1.3
81.04538	3.0
81.07033	0.6
82.05330	2.6
91.05474	23.5
92.05840	0.6
93.03432	1.1
93.07045	23.5
94.06565	1.4
94.07354	1.1
95.04964	15.9
95.06066	1.4
101.45756	0.5
103.05467	26.6
104.05828	0.8
105.03397	2.3
105.04523	4.9
105.07028	100.0
106.07269	2.0
106.07930	5.6
107.07338	1.9
107.08195	0.5
111.04443	1.1
119.08575	15.2
121.02873	4.1
121.03995	2.2
121.05175	0.7
121.06510	26.3
121.10138	54.5
122.06032	2.8
122.07140	14.0
122.09658	2.8
122.10493	2.2
123.08061	12.0
133.07607	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	121.1013
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
51.02372	1.7
52.42193	1.0
53.03946	21.8
53.87314	0.9
54.03469	1.1
55.01871	2.2
64.26616	0.9
65.03935	3.7
69.89846	2.9
69.90259	2.3
72.97947	0.8
77.03919	4.4
78.04713	2.0
79.05492	40.1
81.03432	1.6
81.04533	2.1
82.05335	1.4
87.39039	1.0
89.36816	0.9
91.05479	44.7
92.05769	1.8
93.07042	42.4
93.24113	0.9
94.07853	1.2
95.04381	1.8
95.04969	30.7
96.05321	1.1
103.05463	56.2
104.05773	2.0
105.03453	1.2
105.04517	9.3
105.07026	100.0
106.07224	1.6
106.07928	5.5
107.04950	28.9
108.52943	0.9
119.08582	15.1
120.05674	1.5
121.02895	2.4
121.06506	53.7
121.10138	51.1
122.07229	16.0
122.09634	1.1
122.10476	2.8
123.08063	13.0
124.08389	1.2
133.07622	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	121.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	1.6
53.03716	1.3
53.03946	17.9
53.84196	1.0
54.03463	7.8
55.01868	2.9
55.05502	4.9
58.02970	1.3
60.37701	1.0
65.03945	11.9
66.04712	1.7
67.02979	1.3
67.05499	3.0
68.05028	1.8
70.06585	2.8
71.51228	1.9
77.03923	2.2
79.05495	50.6
80.05026	1.8
80.05818	1.6
81.03419	2.0
81.04543	18.8
81.07049	3.1
82.05323	17.6
91.05482	56.9
92.05796	2.3
93.03393	1.6
93.07044	71.8
94.04190	1.6
94.06556	2.7
94.07363	3.3
95.04969	29.0
95.06054	8.2
103.05466	37.0
104.05786	1.8
105.03403	3.8
105.04529	10.2
105.07031	100.0
106.07278	3.0
106.07936	5.3
107.07352	3.1
111.04445	2.1
119.08580	15.9
120.02620	1.0
121.02856	8.4
121.03956	3.0
121.05163	1.1
121.06510	30.7
121.07586	3.1
121.10144	52.7
122.06096	3.6
122.07152	89.0
122.09664	5.3
122.10428	2.0
123.08059	11.3
133.07628	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	121.1014
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
51.02362	1.2
53.03944	10.4
54.03458	3.4
55.01877	1.4
55.05498	2.7
60.15039	0.8
64.68652	1.0
65.03946	6.0
66.04742	1.0
67.05495	2.1
71.09302	2.6
75.83764	0.8
77.03921	1.3
78.04705	1.5
79.05492	44.3
80.05827	1.1
81.04543	5.5
81.07046	2.1
82.05328	5.5
91.05477	26.9
93.07043	32.1
94.04156	2.7
94.06556	1.7
94.07347	1.2
95.04964	18.2
95.06073	1.7
103.05468	28.9
103.06157	1.4
105.03393	1.5
105.04514	6.5
105.07028	100.0
106.07217	1.7
106.07921	5.7
107.04950	17.5
107.07384	1.3
111.04468	1.4
119.08578	16.3
120.05708	1.2
121.02866	5.5
121.03990	2.0
121.06501	20.1
121.10134	54.3
122.06062	2.1
122.07164	33.6
122.09660	1.8
122.10486	3.0
123.08061	11.6
133.07643	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	2-Ethyltoluene
Peak:m/z	Relative Intensity
51.02366	2.2
53.03712	1.3
53.03946	16.1
54.03469	5.1
54.53604	0.8
55.01854	1.4
55.05510	4.5
61.14331	0.7
65.03938	7.7
66.04727	1.9
67.05497	2.6
68.05010	1.7
70.06593	1.3
70.95515	1.6
70.95848	0.8
77.03929	2.4
78.04673	1.3
79.05488	50.3
80.05793	1.1
81.03404	1.5
81.04546	9.7
81.07030	2.4
82.04866	0.9
82.05321	10.6
90.45786	0.8
91.05477	45.3
92.05796	1.4
93.03403	1.2
93.07037	52.6
94.04178	2.4
94.07372	2.2
95.04967	22.6
95.06091	3.6
103.05460	33.2
104.05752	1.3
105.03401	1.9
105.04529	7.4
105.07027	100.0
105.40990	0.7
106.07874	9.1
106.42503	0.8
107.04897	0.8
107.07324	1.6
111.04427	1.4
119.08581	15.4
120.05679	0.9
121.02881	6.5
121.03980	1.9
121.05682	1.4
121.06509	23.1
121.07541	1.7
121.10137	50.3
122.07148	45.1
122.09649	3.5
122.10471	2.0
123.08073	11.4
133.07602	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	121.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01611	1.5
51.02362	3.3
52.57135	1.4
53.03721	1.7
53.03949	27.6
54.03477	8.5
55.01856	5.1
55.05503	7.9
62.77176	1.4
65.03933	10.9
67.02991	1.6
67.05493	5.8
67.33753	1.4
68.05013	2.3
69.31324	5.3
69.31744	7.6
70.80700	1.4
77.03932	4.0
78.04722	2.6
79.05493	55.7
80.05006	2.4
80.05827	2.6
81.03395	2.2
81.04537	12.6
81.07049	2.9
82.05329	14.7
91.05479	93.0
92.05804	3.3
92.28719	1.4
93.03407	3.1
93.07041	100.0
94.06564	3.0
94.07373	5.4
94.91043	1.5
95.04966	42.0
95.06039	7.8
98.20679	2.4
101.62854	1.4
103.05460	47.2
105.03378	4.8
105.04511	13.9
105.07029	61.7
106.07825	5.3
107.04929	5.5
107.07329	3.4
119.08580	9.7
121.02873	11.3
121.04021	3.9
121.06502	62.6
121.10144	38.1
122.06158	2.3
122.07156	58.5
122.09660	4.3
123.08041	7.4
133.07596	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	121.1015
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
51.02388	0.8
53.03951	7.2
54.03456	1.3
54.70266	0.6
55.05510	1.4
60.42878	0.6
60.92638	0.5
65.03941	1.4
65.61139	0.7
71.09022	0.8
71.09353	1.1
77.03932	1.4
79.05495	39.7
81.03432	1.1
81.04534	1.8
82.05333	1.4
85.59057	0.5
90.32190	0.6
91.04913	1.0
91.05482	17.4
92.05779	0.8
93.07043	18.0
95.04964	11.7
95.06084	0.9
103.05470	23.1
104.06290	0.6
105.03397	0.8
105.04579	3.4
105.07032	100.0
106.07272	2.2
106.07925	4.6
107.04958	21.7
119.08585	14.2
120.08933	0.9
121.06509	16.5
121.10143	52.5
122.06261	0.8
122.07225	11.0
122.10484	2.4
123.08074	11.6
133.07628	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	121.1014
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
51.02375	1.4
52.01233	0.6
53.03947	12.9
54.03481	4.3
55.01860	2.9
55.05513	14.4
56.05029	0.9
58.02959	0.9
59.82324	0.8
65.03941	11.8
66.04263	0.8
67.05503	47.2
68.05834	0.9
70.91151	0.7
70.91470	1.7
71.45381	0.7
77.03929	1.7
79.05492	100.0
80.05019	1.1
80.05813	2.2
80.06232	1.9
81.03428	1.1
81.04548	7.6
81.07056	2.0
82.05322	5.3
91.05480	36.5
91.26828	0.7
92.05821	1.6
93.03366	1.3
93.07041	97.1
94.06554	2.1
94.07386	3.9
95.04964	22.8
95.06093	1.6
103.05463	13.2
104.05827	0.8
105.03382	3.0
105.04523	6.6
105.07027	29.7
106.06577	0.7
106.07813	2.5
107.04955	1.5
107.07325	2.3
111.04440	2.1
112.03953	1.0
119.08568	5.7
121.02860	9.5
121.03967	3.7
121.05172	1.5
121.06512	19.8
121.07439	1.5
121.10140	41.6
122.06045	4.5
122.07152	29.4
122.09677	5.5
122.10489	1.9
123.08070	3.1
133.07635	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.065
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	2.0
53.03947	30.3
54.03458	1.4
55.01871	7.2
65.03939	10.6
65.05285	1.2
69.54633	7.8
73.76709	1.2
77.03921	6.6
78.04695	3.6
78.41983	1.2
79.05479	11.5
81.03410	5.0
81.04537	2.3
82.05302	2.3
91.05481	87.9
92.05831	1.8
93.07044	49.4
95.04965	47.5
103.05466	100.0
104.05789	3.3
105.04509	13.5
105.07047	4.5
121.02858	3.7
121.06503	71.7
121.10136	2.3
122.06021	1.4
122.07105	8.0
134.15480	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0649
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
50.01599	1.2
51.02364	3.4
53.03946	30.0
55.01876	8.6
56.39040	1.0
57.02121	1.3
61.89117	1.2
64.52286	1.0
65.03944	5.8
67.42879	1.1
69.53607	5.1
77.03919	5.1
78.04703	1.4
79.05493	7.5
81.03411	4.1
85.00199	1.0
86.45697	1.1
91.05479	70.4
92.05813	2.4
93.03385	2.4
93.07037	56.7
94.07382	1.6
95.04961	45.4
99.31194	1.0
102.04677	1.8
103.05462	100.0
104.05801	3.3
105.04509	13.0
105.07034	1.6
121.02850	3.7
121.06501	67.9
121.10139	2.7
122.07175	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	121.0649
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
51.02372	3.8
53.03944	34.3
53.70215	0.9
54.03469	5.1
55.01870	5.1
63.20753	1.3
65.03936	14.8
66.04750	1.1
67.05489	1.8
70.06601	2.0
71.50850	1.4
75.52901	1.0
77.03925	5.1
78.04701	3.2
79.05486	15.2
80.05015	1.2
81.03416	3.7
81.04545	9.2
82.05315	9.4
91.05476	92.8
92.05815	1.9
93.03404	3.0
93.07036	56.8
94.04176	2.0
94.06551	1.3
95.04960	46.0
95.06069	3.5
96.05302	2.3
102.04644	2.3
103.05462	71.2
104.05791	2.4
105.03407	6.1
105.04507	15.3
105.05166	1.7
105.07024	17.7
106.04147	1.6
106.07819	1.5
111.04420	1.7
119.08587	2.8
121.02868	14.6
121.03967	3.7
121.06499	100.0
121.10129	11.7
122.06027	2.1
122.07152	38.2
122.09647	2.4
123.08049	3.5
133.07597	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1013
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
51.02370	1.8
53.03719	0.9
53.03949	17.6
54.03471	4.9
55.01860	3.1
55.05511	8.4
65.03934	7.5
67.03004	0.7
67.05509	5.0
68.05041	1.6
69.53585	1.1
69.53992	3.0
70.06596	1.1
77.03930	2.9
78.04707	1.2
79.05493	60.6
80.05019	0.8
80.05828	1.8
80.06271	0.9
81.03446	3.4
81.04535	8.5
81.07054	3.0
82.05322	11.0
91.05482	60.6
92.05814	3.0
93.03397	1.7
93.07044	100.0
94.06588	2.1
94.07365	4.4
95.04964	27.9
95.06040	5.6
96.05280	1.3
103.05472	28.7
103.49765	0.7
104.05104	0.6
104.05818	1.5
105.03392	2.8
105.04524	10.2
105.07032	71.1
106.07906	5.6
107.04855	0.8
107.07339	1.8
111.04458	1.2
112.03931	0.7
119.08590	8.9
120.05694	0.8
121.02878	6.4
121.04014	3.0
121.05177	1.2
121.06513	30.1
121.07561	1.6
121.10145	41.9
122.06101	2.2
122.07152	42.3
122.09669	2.3
122.10518	2.6
123.08064	8.5
133.07590	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	119.0858
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
52.02156	0.6
53.03941	2.5
54.04280	0.7
59.06116	1.8
65.03941	5.8
67.05473	0.6
69.16719	5.5
69.17129	1.4
73.27531	0.6
77.03537	0.7
77.03963	0.7
78.04700	1.0
79.05496	5.2
79.61018	0.6
84.65689	0.6
91.05479	100.0
92.04995	1.3
92.05814	2.9
93.07048	4.9
95.04968	4.5
96.05309	1.4
98.20742	1.3
103.05468	11.3
104.06250	10.1
109.06505	1.6
115.05470	5.0
117.07018	33.4
118.07352	1.4
119.04956	3.7
119.06055	1.9
119.06858	2.4
119.08579	58.3
120.04449	1.5
120.05587	2.3
120.08148	1.0
120.08941	2.4
121.06496	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	0.5
53.03938	1.9
59.06120	1.3
65.03936	5.6
67.05495	0.5
69.74963	3.5
71.08457	0.5
77.03522	0.8
78.47726	0.6
79.05495	5.4
91.05479	100.0
92.05012	0.9
92.05782	2.5
93.07048	4.1
95.04974	3.5
96.05298	1.7
103.05463	10.5
104.06252	7.6
105.01783	0.5
105.04505	0.9
109.06514	1.6
115.05463	5.0
117.07016	24.9
118.07317	0.7
119.04962	4.0
119.06062	2.9
119.06853	2.3
119.08578	53.3
120.04453	0.8
120.05588	3.2
120.08098	1.7
120.08904	2.2
127.01998	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	120.081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.7
58.53412	0.7
69.93885	4.1
77.03937	1.3
87.09306	0.8
91.05473	9.7
93.07047	16.9
95.04949	4.3
100.09741	0.8
103.05470	87.2
104.05807	3.3
105.04509	2.2
118.06586	1.1
120.08108	100.0
121.08449	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	120.081
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68150	0.8
51.02380	0.9
53.03947	5.1
55.05494	0.9
65.03941	3.7
65.99104	0.7
66.22277	0.8
66.72083	0.8
69.82055	4.3
70.31947	0.8
71.89098	0.6
77.03928	1.0
79.02966	1.0
79.05501	4.8
81.02142	0.8
88.81047	0.7
91.05479	19.3
92.04988	3.3
92.05797	6.8
93.04530	1.0
93.07043	25.1
94.06572	1.1
95.04974	7.5
102.04656	0.8
103.05467	87.3
104.05797	3.9
105.04521	2.8
105.07044	6.3
111.04404	0.8
118.06562	1.7
118.07355	1.9
119.07314	1.7
119.08595	1.7
120.04500	2.2
120.05592	8.6
120.08102	100.0
120.08833	3.4
121.02894	2.9
121.04020	1.5
121.06514	6.0
121.08398	4.3
121.10143	4.5
133.07558	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.065
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
50.01581	0.4
51.02374	1.4
53.03948	12.0
54.03469	0.7
55.01861	1.5
65.03951	3.3
70.46123	0.9
77.03943	2.0
78.04708	0.5
79.05493	10.0
81.03409	1.2
81.04543	1.3
82.05318	0.8
91.05482	32.2
92.05826	0.7
93.03413	0.7
93.07042	14.2
94.04196	0.4
95.04967	17.8
95.06017	0.7
96.05289	0.5
98.21645	0.5
102.04698	0.8
103.05467	100.0
104.05799	2.9
105.03385	1.8
105.04514	5.6
105.07017	5.7
106.07798	0.4
119.08562	1.2
119.52169	0.4
121.02891	2.1
121.06508	25.1
121.10145	2.9
122.07162	6.0
123.08107	0.5
124.13924	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.065
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
51.02379	3.9
53.03716	1.9
53.03949	28.7
55.01874	6.2
58.21324	1.4
65.03942	7.3
65.26410	1.3
77.03914	7.4
78.04733	1.3
79.05484	4.0
81.03410	3.5
91.05481	98.9
92.05803	2.4
93.03419	2.8
93.07040	46.4
95.04971	46.4
98.21519	3.8
102.04730	1.6
103.05466	65.3
104.05804	2.2
105.03385	7.1
105.04502	13.3
107.04996	1.9
110.11627	1.4
121.02882	4.8
121.06509	100.0
121.10113	2.0
122.07052	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	118.0653
Annotation	Indole
Peak:m/z	Relative Intensity
51.02368	9.5
53.03948	73.3
54.09855	2.5
55.01857	3.4
56.00757	2.7
59.76072	2.5
77.03928	15.3
81.03390	4.9
86.32446	2.3
91.05470	8.8
95.04964	100.0
96.05233	2.6
98.21572	3.9
105.04517	25.9
106.45813	2.9
112.80531	2.3
118.06539	87.9
119.04989	2.7
119.06886	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	118.0653
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01621	2.2
50.58688	2.1
51.02371	7.8
52.78308	2.1
53.03947	65.9
55.01867	2.9
65.03928	7.8
66.39286	1.7
70.64116	3.5
70.64520	4.6
77.03918	12.5
81.03410	5.8
91.05481	94.0
95.04966	100.0
96.05290	3.4
105.04508	28.7
109.06515	6.6
118.06541	88.0
119.04937	39.1
119.05865	2.5
119.06116	2.3
119.06855	4.0
119.08561	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	118.0654
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	7.6
53.03947	70.6
59.29602	2.1
65.03910	2.4
77.03912	13.7
78.66209	2.0
81.03413	7.0
85.72648	2.7
87.36810	2.4
91.05473	14.0
95.04969	97.8
105.04511	30.1
118.06539	100.0
119.04942	2.2
119.06844	2.4
119.08599	8.8
138.89583	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	119.0192
Annotation	Unknow
Peak:m/z	Relative Intensity
59.06115	13.0
65.03941	5.7
67.05495	13.1
69.03413	5.0
69.88248	22.7
71.54478	4.7
80.06233	6.3
91.05474	19.2
98.20782	6.2
100.02467	17.4
101.00865	15.3
103.02385	11.6
112.10656	5.3
116.05765	5.1
116.08553	5.0
118.03558	7.0
119.01910	100.0
120.00999	4.4
120.01926	7.8
121.03563	6.1
123.10391	5.2
129.03954	5.3
137.02985	28.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.4
55.01872	2.8
55.02131	1.2
55.05509	2.2
56.05032	1.9
56.96558	8.6
57.03422	3.6
58.99858	3.0
59.06118	12.6
61.02914	1.9
65.03932	7.6
67.05482	6.1
69.03436	7.5
69.94299	5.7
69.94714	1.8
71.02976	1.9
73.02930	1.8
73.08473	3.4
74.06062	1.8
77.00877	1.9
78.52985	3.0
79.05482	1.5
80.02929	2.5
80.06278	1.4
81.03386	1.4
81.07050	2.9
82.01432	4.2
82.02695	1.5
83.04962	2.1
84.06819	1.2
84.08120	1.5
85.01409	2.4
85.02906	3.2
85.53706	1.8
86.52694	1.7
87.00835	2.5
87.05594	2.4
87.53464	2.3
89.03469	1.4
91.05470	55.3
91.53735	2.7
93.07056	1.5
94.02707	1.7
95.04964	1.6
97.02927	1.5
100.02470	21.4
101.00873	14.0
101.02562	5.4
102.02232	6.1
103.02433	7.6
104.02538	1.6
106.02636	1.4
107.05250	4.2
111.04458	1.8
115.02441	1.5
116.05770	4.0
117.07018	2.1
118.03501	14.7
119.01915	100.0
119.03587	5.5
119.04935	6.1
119.06042	2.1
119.08572	6.1
120.02018	5.5
120.03259	4.1
120.05562	3.2
121.03488	5.9
122.03646	1.4
129.03992	2.5
131.01909	2.0
133.03461	2.1
137.02950	46.9
138.03024	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	119.0857
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
51.02381	0.4
53.03947	4.4
54.04272	0.7
59.06121	2.3
60.04502	0.6
65.03942	5.3
67.05499	0.6
69.33479	3.8
77.03902	0.5
78.04716	1.9
79.05492	8.9
81.03427	0.6
82.68623	0.5
83.72665	0.4
91.05480	100.0
92.04968	0.5
92.05811	3.4
93.07043	6.2
95.04969	4.3
96.05314	1.5
103.05464	11.0
104.06251	13.4
105.04517	1.2
105.07078	0.5
109.06512	1.1
115.05444	6.3
117.07019	22.0
119.05003	2.8
119.06071	1.7
119.08578	97.6
120.04411	0.7
120.05589	0.6
120.08160	0.8
120.08907	3.2
121.06518	0.8
136.87872	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0654
Annotation	Indole
Peak:m/z	Relative Intensity
51.02374	7.3
53.03945	64.5
54.48663	2.4
55.01866	3.0
70.12271	5.4
70.12666	4.5
76.93370	8.9
77.03928	10.7
81.03417	5.8
82.64017	2.0
91.05483	36.6
92.05003	2.3
94.94411	2.7
95.04963	100.0
105.04517	24.4
117.07073	2.3
118.06541	79.7
118.07310	5.3
118.08654	3.0
119.04982	2.4
119.06054	4.7
119.06870	3.1
119.08578	9.4
134.15192	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	118.0653
Annotation	Indole
Peak:m/z	Relative Intensity
50.01589	3.6
51.02370	7.4
52.94278	2.0
53.03947	63.6
55.01880	3.1
62.93233	2.5
69.21829	19.8
69.22239	8.0
77.03905	15.1
81.03407	5.4
91.05468	5.4
95.04970	95.1
105.04510	26.5
118.06541	100.0
119.06901	4.1
119.08575	3.1
132.97305	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	113.06
Annotation	1,4-Cyclohexanedione
Peak:m/z	Relative Intensity
52.36151	0.7
53.03943	0.9
54.03468	6.6
55.01868	2.9
55.05514	5.1
55.25079	0.7
55.34352	0.8
56.05033	3.1
57.03440	4.9
57.04562	1.4
57.05803	0.7
57.07076	49.4
58.06588	3.3
58.07405	1.4
58.50220	0.8
60.04523	6.6
63.22228	0.6
65.03941	8.3
67.01859	4.7
67.02994	1.1
67.05506	68.0
68.05038	5.1
68.05827	1.2
69.03428	2.9
69.07062	3.0
70.02961	3.9
70.06596	8.1
71.01363	1.0
71.04996	12.8
71.06114	1.1
71.50788	1.0
71.94103	4.9
72.04526	4.5
72.08147	2.1
72.93787	36.1
73.05275	1.5
74.04825	8.8
79.05483	2.2
83.06095	5.2
85.02902	1.3
85.06542	18.0
85.07663	2.8
86.06062	2.9
87.05568	0.8
88.63644	0.6
90.00121	0.8
90.94829	12.0
95.01342	3.7
95.04376	1.5
95.04966	23.2
95.06071	5.4
95.08590	0.8
96.00858	2.1
96.04485	2.2
96.06853	2.0
96.08136	6.7
97.06532	1.0
108.95863	3.5
113.02366	100.0
113.03479	4.9
113.06002	17.8
113.07129	10.2
113.07934	1.7
113.09030	1.1
113.09717	0.9
113.10730	3.7
113.96410	3.7
114.02679	2.3
114.05530	1.7
114.06660	4.2
114.09162	10.5
114.10297	1.9
131.97426	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	115.0756
Annotation	trans-2-Hexenoic acid
Peak:m/z	Relative Intensity
50.49465	0.7
53.03944	2.7
54.03465	1.5
55.01873	9.4
55.05510	10.5
56.03783	4.2
56.05035	10.6
57.03436	13.4
57.04555	2.1
57.05836	0.6
57.93559	2.4
58.02956	2.4
58.06606	1.5
59.03744	8.4
59.04999	7.3
59.06121	2.7
60.04529	3.6
60.67305	0.6
66.23569	0.6
67.02988	0.5
67.05502	7.6
68.05010	0.7
69.03432	8.5
69.04558	3.9
69.07067	100.0
70.02963	0.7
70.06589	15.1
70.07401	2.8
70.76229	1.8
71.01343	1.2
71.04996	1.8
71.06134	0.6
72.04518	1.6
72.08154	3.1
72.93788	2.9
73.02923	1.8
73.06556	19.1
73.07677	8.2
73.93845	3.0
74.02435	1.4
74.04794	1.0
74.06066	4.0
74.93832	18.7
75.05167	1.6
75.05583	1.4
77.10641	0.8
79.05491	18.0
80.05027	1.0
80.05836	1.7
82.05305	3.7
85.02915	2.6
85.04022	1.5
85.07658	1.0
86.06028	0.8
87.00839	2.6
87.04482	5.1
87.05595	1.8
88.07633	0.9
90.94862	0.6
92.94853	6.9
95.04961	1.7
97.02911	3.2
97.04018	2.0
97.06528	52.7
97.07649	3.6
98.04799	1.7
98.06051	3.5
98.06732	0.9
99.05560	0.7
102.19920	0.6
110.95922	1.4
115.03953	6.7
115.05091	3.5
115.05470	5.4
115.06873	1.1
115.07649	4.5
115.08700	4.0
115.09526	4.8
115.96458	2.8
116.01749	0.6
116.07069	1.3
116.08235	1.8
116.97234	1.5
133.97517	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1164.4348
Annotation	Unknow
Peak:m/z	Relative Intensity
81.02927	0.3
81.03416	5.5
81.07052	0.9
83.04984	1.5
85.02913	1.6
87.04457	0.3
91.05475	4.3
93.03429	0.3
93.07031	3.8
94.04173	0.5
95.01318	0.4
95.04961	12.3
95.08618	0.7
97.02887	2.1
97.06491	0.4
99.04460	0.4
103.03949	0.8
103.05463	5.7
105.03405	1.2
105.04520	0.9
105.07030	1.0
107.04950	54.7
108.05279	0.5
109.02874	51.1
109.06503	3.6
110.03191	0.5
111.04440	2.5
111.08109	0.3
113.06019	0.2
115.05438	0.5
117.07005	0.4
119.04933	0.6
121.02866	0.5
121.06498	11.0
122.03619	0.3
123.04420	4.4
125.02347	5.0
125.05981	0.7
127.03892	2.4
129.07007	0.4
131.04927	4.8
131.05888	0.2
133.02864	1.5
133.06509	0.5
135.04428	3.3
137.05977	2.1
139.03897	33.0
139.07532	1.0
140.04187	0.6
141.05470	1.0
145.04935	0.6
145.06595	0.4
147.04420	0.9
149.05977	17.2
150.06274	0.4
151.03896	13.7
151.07521	0.3
152.04431	0.4
153.05464	1.8
155.08484	0.3
157.04999	0.3
159.04396	2.9
161.05981	0.4
163.03822	0.3
163.07555	0.6
165.05470	62.7
166.05769	1.1
167.07033	15.7
168.07335	0.3
173.04535	0.3
173.06039	0.4
175.03958	0.6
175.07486	0.3
177.05463	47.4
178.05762	1.1
179.07042	0.6
181.04977	0.7
181.08554	1.3
183.06503	0.5
187.03912	0.3
189.05521	0.5
191.07019	3.3
193.05034	0.3
195.06525	12.3
209.08081	100.0
210.08478	2.4
215.07083	0.3
227.09125	25.3
228.09523	0.5
251.09224	0.3
253.06729	0.3
269.10373	0.6
294.14252	0.2
295.08170	0.5
301.09247	0.8
303.08621	0.7
305.01611	0.2
321.09589	1.8
332.25345	0.2
335.11310	0.4
339.10751	6.3
347.52072	0.3
353.12497	1.3
357.11862	0.7
371.13364	5.6
385.12610	0.4
386.27719	0.2
388.16446	0.3
389.14569	1.4
403.13989	0.3
495.14917	0.5
501.15515	0.4
515.15717	0.3
521.16211	0.9
533.16858	0.9
547.17682	0.7
565.19263	1.7
579.20740	2.0
759.25592	0.4
1164.44995	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1117.3756
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02875	0.1
89.03880	0.1
95.44367	0.1
107.04931	0.1
135.04399	0.8
137.02322	0.3
137.06020	0.1
141.79388	0.1
153.01822	2.5
154.02097	0.1
161.02374	0.3
171.02887	0.4
175.07498	0.1
179.03305	0.2
219.06433	0.1
231.06342	0.1
235.86972	0.1
241.04881	0.4
243.52184	0.1
259.06110	0.1
263.05612	0.1
269.04510	0.3
286.04477	0.1
287.05487	100.0
288.05798	2.3
449.10806	10.2
450.11209	0.2
581.12238	0.1
595.16498	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1129.3959
Annotation	Unknow
Peak:m/z	Relative Intensity
78.04729	0.4
79.01846	1.9
79.05487	16.9
80.02620	0.3
81.03409	10.8
81.07054	1.7
83.01334	0.4
83.04972	4.9
85.02899	3.4
85.06595	0.2
87.04445	0.5
91.04905	0.5
91.05474	8.4
93.07035	7.5
94.04172	1.5
95.01316	0.7
95.04962	21.9
95.08589	0.7
97.02881	3.7
97.06544	0.6
99.04466	1.4
102.04731	0.3
103.03953	1.1
103.05460	13.3
105.03394	2.1
105.04491	1.9
105.07022	2.1
107.04947	71.5
108.05285	0.6
109.02869	84.2
109.06509	5.8
110.03208	0.7
111.04434	8.4
111.08086	0.6
115.03915	0.5
115.05434	0.4
117.07033	0.5
117.26070	0.3
119.04945	0.9
121.02851	1.3
121.06493	17.6
122.03648	0.8
123.00784	0.5
123.03574	0.5
123.04427	6.6
123.05332	0.3
125.02340	8.2
125.05973	0.9
127.03893	4.9
128.06265	0.3
129.05484	0.4
129.06944	0.4
131.03465	0.3
131.04926	8.2
131.05937	0.5
133.02838	2.4
133.06464	0.9
135.04402	7.2
137.05977	3.7
139.03889	81.0
139.07443	1.5
140.04239	1.0
141.05463	2.3
145.04956	0.9
147.04369	1.8
149.02345	1.0
149.05972	29.5
150.06296	0.5
151.03893	21.6
153.05457	3.9
155.03398	0.4
155.08507	0.3
157.04974	0.5
157.06456	0.4
159.04410	8.0
159.08031	0.3
161.05989	0.5
163.03987	0.4
163.07541	0.7
165.05461	100.0
166.05774	1.8
167.03377	0.8
167.07024	21.9
168.07335	0.4
171.06569	0.3
173.04488	0.5
173.06026	0.4
175.03923	1.0
177.05453	73.5
178.05779	1.3
179.06996	0.5
181.04906	0.8
181.08546	1.8
183.06538	1.1
183.08014	0.3
189.05417	0.9
189.07515	0.4
191.07005	8.9
193.04990	0.5
193.08636	0.3
195.06505	12.2
201.05542	0.4
207.06493	0.5
209.08072	94.2
210.08409	1.6
213.05455	0.5
213.07472	0.5
227.09111	12.9
238.99927	0.2
251.05527	0.3
251.09177	0.6
252.05980	0.3
269.06570	0.8
269.10095	0.6
295.08121	0.9
297.09641	0.2
301.09113	1.0
303.08603	1.0
313.08960	0.3
321.09628	3.3
327.10675	0.3
335.11545	0.4
339.06592	0.4
339.10687	6.6
353.12439	2.0
357.11954	0.7
360.23779	0.3
371.13336	3.1
385.12546	0.4
389.14334	0.4
483.14236	0.5
501.15906	0.6
515.15533	0.6
521.17035	0.5
529.16907	0.5
533.16388	0.5
547.17877	0.9
565.18707	0.6
579.20563	1.2
777.23840	0.3
858.78827	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1110.5968
Annotation	Unknow
Peak:m/z	Relative Intensity
78.06767	0.1
79.71964	0.1
80.97444	0.1
81.03437	0.1
81.07056	0.1
85.10199	0.1
86.09701	28.8
87.10034	0.2
95.08588	0.1
98.20943	0.3
98.98461	5.2
104.10734	2.3
109.10142	0.1
116.99497	0.1
124.99996	20.8
139.66910	0.1
140.01067	0.1
143.01036	0.3
156.25735	0.1
163.01563	0.1
166.02638	0.1
184.07329	100.0
185.07689	0.8
222.08986	0.4
229.20358	0.1
282.11191	0.1
300.84995	0.1
313.27481	0.1
341.12576	0.1
373.91284	0.1
394.20090	0.1
467.37228	0.1
496.34079	0.2
497.08563	0.1
550.35083	0.1
569.33575	0.1
615.53528	0.1
650.43866	9.5
651.44141	0.6
678.47034	0.2
688.46173	0.3
706.47748	0.1
722.46094	0.5
824.09009	0.1
878.50024	0.2
916.51752	4.3
917.52802	0.3
930.53021	0.3
948.54431	2.7
949.54059	0.2
1110.59668	6.0
1111.59155	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0807
Annotation	trans,trans-2,4-Heptadienal
Peak:m/z	Relative Intensity
51.51472	1.1
53.03941	10.1
55.01874	14.4
55.05511	57.6
56.05030	3.7
56.05851	1.2
57.03436	3.5
65.03934	6.0
67.05509	7.8
68.02642	2.6
68.05028	5.8
69.03429	11.0
69.07065	5.4
70.06591	59.7
70.77131	2.7
70.77464	1.6
70.94250	2.7
70.95869	1.3
71.04977	2.9
71.07364	6.8
79.05479	9.8
81.03419	2.3
81.07045	8.3
82.05331	2.4
83.03802	1.6
83.04982	14.9
83.06097	3.7
83.08616	2.8
84.04531	1.2
84.08135	5.8
85.07660	2.2
88.00479	3.9
91.05479	11.9
93.03448	1.5
93.07037	16.1
94.02962	1.4
94.06567	10.7
95.04962	8.6
95.06090	2.2
96.05750	1.8
96.06863	6.1
96.54892	1.1
97.01007	3.4
98.00782	2.2
100.51090	1.4
104.45997	1.1
105.04498	1.7
105.48696	1.2
110.07200	2.2
111.03372	3.2
111.04430	23.7
111.05585	9.3
111.08076	42.5
111.09209	100.0
112.03946	2.8
112.07610	7.4
112.08797	7.2
112.09502	2.8
115.96427	3.1
116.73074	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.8
54.03474	1.0
55.01870	6.0
55.02986	0.7
55.05511	36.9
56.05034	5.3
56.05847	0.9
56.51926	0.4
56.96572	0.5
57.03437	2.6
58.06595	0.6
64.79100	0.4
65.03941	4.0
66.03457	0.5
67.05503	7.6
68.02649	2.1
68.05033	7.4
68.99779	0.6
69.03422	4.9
69.03733	0.5
69.04556	1.3
69.07067	3.4
70.02951	1.2
70.06591	54.9
70.94246	1.5
71.04987	0.6
71.06116	1.0
71.06967	0.5
71.07372	11.4
71.61620	0.4
79.05489	1.6
80.05058	0.4
81.03407	0.7
81.07054	2.6
82.05338	0.9
82.06577	1.1
83.04983	9.2
83.06110	4.2
83.08601	2.2
84.04510	1.6
84.08137	8.9
85.07664	0.7
88.00490	2.1
88.95314	0.5
91.05482	7.3
91.06018	0.5
93.03412	1.4
93.07043	8.4
94.02938	1.1
94.06567	17.9
95.01324	0.4
95.04967	5.0
95.06079	2.9
96.02126	0.8
96.05636	0.4
96.06872	11.3
97.00996	4.2
97.51171	0.5
105.04527	1.4
110.07176	1.5
111.04457	24.5
111.05581	6.5
111.08082	20.8
111.09218	100.0
112.03973	1.8
112.04974	0.8
112.06422	0.5
112.07611	6.1
112.08743	5.1
112.09563	2.0
115.96449	1.4
116.97247	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0651
Annotation	o-Cresol
Peak:m/z	Relative Intensity
51.02377	0.6
53.03947	15.9
54.58086	0.4
55.01873	6.9
55.05510	5.0
65.03939	5.8
66.04720	1.4
67.05505	40.6
68.05032	2.2
69.04549	1.1
69.07069	2.7
69.70576	2.2
69.70989	0.7
76.15548	0.4
79.05493	42.0
79.63983	0.4
80.05815	1.1
80.06268	0.5
81.03417	31.4
81.07055	47.7
82.03735	0.6
82.06573	1.0
82.07392	1.0
86.00733	0.5
87.00453	1.3
91.05478	13.6
92.05800	0.5
94.04182	5.2
94.07810	1.0
94.71244	0.4
95.04963	1.5
98.20856	0.9
98.51229	0.4
107.04951	1.8
107.08603	0.7
109.02882	25.8
109.06516	100.0
109.07701	3.2
109.10151	17.0
110.03179	0.5
110.06056	1.2
110.07112	5.4
111.04405	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0287
Annotation	o-Benzoquinone
Peak:m/z	Relative Intensity
51.02363	1.2
53.03945	24.6
54.04254	0.6
75.65778	0.5
79.05488	1.2
81.03415	86.7
81.07045	1.0
82.03742	1.6
85.67101	0.5
109.02875	100.0
110.03217	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	109.0288
Annotation	o-Benzoquinone
Peak:m/z	Relative Intensity
50.92757	0.5
51.02382	1.1
53.03949	28.4
53.96366	0.7
54.27347	0.6
55.01883	0.6
55.05517	0.8
67.05508	4.1
68.36605	0.6
69.99168	3.3
79.05494	1.8
81.03419	96.5
81.07047	4.0
82.03751	2.0
82.06567	0.7
82.11003	0.7
89.54185	0.7
94.04196	1.9
95.04964	0.8
106.28355	0.6
109.02882	100.0
109.06514	3.7
109.07655	2.1
109.10154	1.6
110.03212	2.2
110.07175	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0287
Annotation	o-Benzoquinone
Peak:m/z	Relative Intensity
51.02379	1.5
51.71460	0.6
53.03944	28.3
65.03934	0.9
67.05495	5.6
67.66096	0.6
68.11963	0.6
69.58874	4.5
73.09616	0.6
79.05488	7.1
81.03414	94.7
81.07050	6.1
82.03748	1.7
82.06558	0.7
91.05495	1.3
94.04177	2.4
109.02872	100.0
109.06509	6.0
109.07628	1.9
109.10144	1.9
110.03219	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	109.0651
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	1.1
53.03715	1.4
53.03946	21.8
55.01870	2.1
55.05496	3.9
65.03940	14.4
66.04712	1.7
67.05502	30.5
68.05022	5.1
69.03439	1.2
69.07061	2.2
70.95045	1.8
70.95378	1.5
79.05492	31.3
81.03415	54.2
81.07053	56.0
82.03755	1.2
82.06582	4.6
82.07340	1.1
84.40257	0.9
88.36094	0.8
88.71532	0.9
91.05479	40.6
94.04184	54.2
95.05009	1.2
97.47409	0.9
107.04950	23.0
107.08580	1.3
109.02874	51.1
109.06513	100.0
109.07593	9.0
109.10155	12.0
110.06065	1.7
110.07159	2.6
111.04453	4.8
119.06049	3.5
121.03977	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	109.0651
Annotation	4-Cresol
Peak:m/z	Relative Intensity
51.02361	1.1
53.03715	1.4
53.03946	21.8
55.01870	2.1
55.05496	3.9
65.03940	14.4
66.04712	1.7
67.05502	30.5
68.05022	5.1
69.03439	1.2
69.07061	2.2
70.95045	1.8
70.95378	1.5
79.05492	31.3
81.03415	54.2
81.07053	56.0
82.03755	1.2
82.06582	4.6
82.07340	1.1
84.40257	0.9
88.36094	0.8
88.71532	0.9
91.05479	40.6
94.04184	54.2
95.05009	1.2
97.47409	0.9
107.04950	23.0
107.08580	1.3
109.02874	51.1
109.06513	100.0
109.07593	9.0
109.10155	12.0
110.06065	1.7
110.07159	2.6
111.04453	4.8
119.06049	3.5
121.03977	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	107.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26768	0.6
51.02388	3.0
51.66346	0.7
53.03949	22.4
55.01869	2.7
65.03943	13.9
67.05511	2.7
69.19908	7.9
71.25038	0.6
75.23257	0.6
77.03923	4.3
79.05495	37.3
80.05016	1.4
80.05811	0.9
81.03423	2.9
91.05483	88.5
92.05777	1.6
92.06270	2.5
95.04966	32.3
96.05333	0.6
98.21554	1.1
105.04521	9.1
105.07034	24.4
106.04182	0.6
106.07337	1.0
107.04956	100.0
107.08597	24.0
107.09272	0.5
108.04594	0.7
108.05321	2.4
109.06522	13.1
109.07263	0.8
119.06075	5.2
120.35996	0.7
124.05215	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1087.3495
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03910	1.7
79.05486	8.3
81.03410	6.4
81.03869	0.5
81.07052	2.2
81.49789	0.2
83.04977	0.7
85.02892	2.7
91.05468	4.2
93.07038	4.4
95.01308	0.7
95.04959	61.8
96.05308	0.2
97.02883	11.3
97.06523	0.8
99.04453	1.0
103.05460	6.3
105.03403	1.1
105.04514	1.8
105.07018	0.9
107.04946	53.9
108.05269	0.4
108.27299	0.2
109.02869	35.9
109.06503	2.7
111.04430	0.4
119.04926	0.3
121.02881	0.4
121.06495	12.5
123.04420	14.9
125.02342	43.8
125.05963	3.3
126.02657	0.2
127.03911	5.1
129.05490	0.4
131.04932	4.0
131.05913	0.2
133.02821	1.7
133.06497	0.6
135.04405	5.5
145.04938	1.5
147.04362	1.0
149.05969	20.6
149.27713	0.2
150.06342	0.3
151.03889	100.0
152.04286	0.6
153.05455	9.5
159.04427	4.1
161.05971	0.3
163.06163	0.3
165.05458	0.3
167.03375	0.6
167.07054	0.6
169.05042	0.5
173.04407	0.3
173.05956	0.3
175.03862	1.2
175.07590	0.2
177.05457	38.0
178.05820	0.4
189.07558	0.9
193.04926	0.7
195.06512	85.0
195.27725	0.2
196.06894	0.9
203.07031	0.4
213.07565	18.3
214.87982	0.2
215.09152	0.2
251.05421	0.3
251.09125	0.6
269.06503	1.0
269.09979	0.4
277.07123	0.4
285.07690	0.3
287.07553	0.3
295.08069	2.9
303.08621	1.5
313.09332	0.2
321.09671	5.2
339.10727	16.8
346.75854	0.2
357.11761	23.6
365.11880	0.3
371.11481	0.3
375.12723	0.8
383.13406	0.5
463.12234	0.6
465.13879	0.5
471.12711	0.5
481.13412	0.6
483.14731	0.7
489.13751	3.0
501.15933	0.7
507.14816	1.0
515.15662	1.4
519.17090	0.7
533.16400	3.5
551.17389	2.1
625.16510	0.3
651.18945	1.4
659.19043	0.3
666.19104	0.3
677.20648	0.5
683.19379	0.3
695.20905	0.6
701.19922	0.3
713.22150	0.5
816.04633	0.3
863.25238	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0495
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
50.01593	0.7
51.02380	3.0
53.03949	22.0
54.70649	0.4
55.01866	1.8
65.03939	0.8
67.05492	0.5
69.71173	0.7
69.71580	1.9
71.08480	0.4
77.03931	4.9
79.05494	22.0
80.05007	0.9
80.05820	0.8
81.03413	1.7
85.04819	0.5
91.05482	4.9
95.04970	33.6
96.05273	0.6
105.04519	9.3
105.07023	1.2
106.04868	0.6
107.04957	100.0
107.08591	1.5
108.05267	2.1
109.06532	0.7
118.06548	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01589	0.9
51.02377	3.6
53.03947	19.3
54.04272	0.4
55.01863	1.1
70.63338	0.3
71.05769	0.6
71.06116	0.3
77.03485	0.4
77.03926	6.4
77.04347	0.5
79.01827	0.3
79.05491	17.9
81.03422	2.1
81.40519	0.3
91.05494	0.4
95.04967	34.2
96.05281	0.8
105.04513	8.2
107.04955	100.0
108.05281	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	107.0858
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
51.02371	1.6
53.03943	10.3
55.01871	1.2
57.24363	0.4
63.53380	0.4
65.03619	0.7
65.03941	13.3
67.05494	2.7
71.24261	0.8
73.10664	0.4
77.03931	2.8
79.05490	30.2
80.05029	0.5
80.05851	1.0
81.03412	1.2
87.57851	0.4
89.08659	0.4
91.05476	100.0
92.05781	1.4
92.06281	3.0
95.04961	15.1
105.04511	4.1
105.07026	28.5
106.04195	0.6
107.04951	44.2
107.08588	28.2
108.05255	1.0
108.08958	0.5
108.88992	0.5
109.06510	13.2
119.06054	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	107.0495
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01599	0.5
51.02379	2.9
53.03947	21.6
55.01856	1.5
61.76963	0.3
65.03923	0.6
69.61706	2.1
74.01708	0.4
77.03929	5.0
79.05492	21.3
80.05804	0.6
81.03414	2.1
91.05486	1.2
95.04964	33.8
96.05290	0.9
102.85062	0.3
105.04508	9.7
105.06989	0.3
107.04953	100.0
108.05254	3.0
118.06570	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0495
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
50.01590	0.9
50.23622	0.3
51.02381	2.9
53.03946	22.5
55.01869	1.7
69.20228	2.6
69.20636	1.5
76.22663	0.4
77.03927	5.7
78.04713	0.5
79.05489	17.5
81.03409	2.6
82.67089	0.3
95.04964	33.3
105.04518	10.7
107.04952	100.0
108.05261	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	107.0495
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
50.01587	0.9
51.02377	2.7
53.00293	0.4
53.03949	18.9
54.04271	0.6
55.01860	1.0
57.01397	0.3
65.02982	0.3
65.03917	0.3
71.02670	0.6
71.03033	0.5
77.03925	4.8
78.04734	0.3
79.05494	16.9
80.05846	0.3
81.03419	2.1
87.33164	0.3
95.04967	29.0
96.05299	0.6
102.26383	0.3
102.33381	0.3
105.03960	0.2
105.04515	8.9
107.04954	100.0
108.05292	3.5
118.06519	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1069.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03902	1.6
79.05486	7.6
81.03410	6.8
81.07047	1.6
83.01315	0.2
83.04971	0.9
85.02896	3.0
87.04484	0.2
91.05471	3.8
93.07040	3.9
95.01317	0.5
95.04958	51.6
96.05318	0.5
97.02882	11.6
97.06507	0.8
98.20684	0.4
99.04470	1.2
101.02370	0.2
102.04666	0.2
103.03965	0.3
103.05460	7.0
105.03387	1.2
105.04502	1.5
105.07014	1.4
106.07053	0.2
107.04945	50.4
108.05279	0.5
109.02868	37.4
109.06499	3.7
110.03185	0.4
111.04418	0.7
115.05450	0.3
117.06985	0.3
119.04931	0.8
119.08562	0.2
121.02859	0.5
121.06491	11.0
123.04420	13.4
123.08069	0.3
125.02340	49.4
125.05958	3.2
126.02705	0.6
127.03899	5.9
128.06204	0.4
129.05482	0.3
129.07018	0.4
131.04915	4.5
131.05862	0.2
133.02853	1.6
133.06525	0.9
135.04402	6.1
135.05432	0.3
139.03839	0.3
145.04948	1.7
145.06514	0.3
146.79211	0.2
147.04410	1.4
149.02328	0.4
149.05968	20.3
150.06311	0.3
151.03889	100.0
152.04263	1.7
153.05455	9.1
155.08559	0.3
157.06512	0.2
159.04404	5.0
159.07945	0.2
161.05989	0.5
163.03827	0.4
163.06026	0.2
165.05524	0.4
167.03394	0.7
167.07057	1.3
169.04916	0.8
171.06534	0.3
173.05966	0.4
175.03894	2.4
175.07445	0.4
177.05453	42.4
178.05800	0.7
179.07008	0.6
185.05943	0.4
189.01437	0.2
189.05591	0.4
189.07556	0.9
191.03293	0.2
191.07036	0.4
193.04956	0.6
195.06511	73.7
196.06848	1.1
197.08060	0.2
201.05446	0.3
203.07039	0.3
211.07426	0.2
213.07562	11.7
215.05299	0.3
215.07201	0.4
215.09088	0.3
219.06555	0.3
221.08066	0.2
227.06918	0.2
233.08212	0.5
235.06024	0.2
239.07098	0.3
243.06572	0.2
251.05421	0.3
251.09109	0.8
253.07124	0.4
257.08154	0.2
269.06537	1.8
269.10095	0.6
271.08151	0.3
273.07721	0.3
275.09003	0.3
277.07004	0.8
279.08472	0.3
283.06082	0.2
285.07516	0.8
287.07529	0.5
293.10022	0.2
295.08096	4.0
297.09631	0.4
301.06961	0.3
301.10587	0.2
303.08640	3.1
313.08923	0.4
319.07928	0.3
321.09665	7.1
323.10938	0.2
339.10724	20.3
340.11099	0.7
353.10059	0.6
357.11755	19.1
358.12073	0.5
365.12149	0.5
367.09863	0.3
371.11182	0.8
375.12820	0.4
383.13202	0.6
384.82703	0.2
389.12228	0.4
407.72931	0.2
409.14990	0.4
445.11243	0.5
447.12750	0.5
457.13300	0.4
463.12140	0.6
465.13614	0.9
471.12640	0.7
479.13519	0.3
481.13098	0.5
483.15027	1.3
489.07352	0.3
489.13864	4.2
497.14151	0.7
501.15921	1.5
507.14935	0.5
515.15479	3.3
519.16663	0.9
533.16492	5.3
551.17627	2.7
559.17865	0.2
607.15881	0.4
615.16705	0.4
625.17523	0.5
633.18237	0.4
641.18256	0.3
651.19025	1.9
659.19000	0.6
677.20795	1.2
683.18976	0.4
695.22162	1.2
713.22211	0.8
819.22791	0.5
827.23010	0.3
845.24438	0.9
871.25500	0.3
889.26251	0.4
953.29175	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0495
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01588	1.1
51.02379	2.9
53.00303	0.2
53.03948	21.7
55.01866	0.9
60.50449	0.2
65.03922	0.3
66.10357	0.3
68.91826	0.2
70.11770	1.0
74.59329	0.3
77.03928	5.3
78.04700	0.4
79.05494	17.4
81.03412	2.4
95.04966	33.4
96.05305	0.4
105.04514	9.8
107.04953	100.0
108.05273	1.4
118.06535	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06598	4.7
59.07367	1.6
60.08164	51.1
61.08488	0.3
61.49564	0.2
70.81213	0.8
87.04453	0.2
102.80837	0.2
104.10741	100.0
105.11074	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1042.5488
Annotation	Unknow
Peak:m/z	Relative Intensity
80.28260	0.1
83.77071	0.1
86.09699	30.9
87.09998	0.2
91.05456	0.1
95.08575	0.1
98.98455	5.0
104.10735	4.9
110.48994	0.1
113.04884	0.1
116.99477	0.1
124.99991	21.9
143.01050	0.4
152.05624	0.2
152.19012	0.1
155.27313	0.1
166.02657	0.2
184.07326	100.0
185.07664	0.7
188.18105	0.1
193.04869	0.1
290.26758	0.1
496.34204	0.3
501.23981	0.1
522.35468	0.2
532.63586	0.1
560.31165	0.5
714.31366	0.2
786.30743	0.2
850.48755	0.7
950.51776	0.2
1024.53931	0.3
1042.54968	18.5
1043.55164	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1042.5494
Annotation	Unknow
Peak:m/z	Relative Intensity
81.07057	0.1
86.09701	31.2
87.10089	0.1
87.22972	0.1
91.05480	0.2
93.02978	0.1
93.07064	0.1
98.98459	5.4
104.10736	2.9
116.99492	0.2
124.99995	22.7
143.01065	0.4
163.03883	0.1
165.19043	0.1
166.02692	0.3
184.07330	100.0
185.07669	0.5
197.50041	0.1
213.05415	0.1
301.73776	0.1
449.48788	0.1
850.48621	1.2
1042.54993	10.9
1043.54614	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0702
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02374	1.9
53.03715	1.2
53.03947	14.8
54.81159	0.8
55.01845	1.1
57.06744	0.6
60.04543	1.0
60.08155	1.0
62.95112	0.7
64.29158	0.6
64.90246	0.7
65.03953	4.5
70.10412	0.7
71.51915	1.3
77.03929	2.9
78.03459	0.8
79.05495	51.1
80.05822	1.6
81.03398	1.8
81.97294	0.7
95.04964	22.3
96.04475	1.1
103.05467	30.3
104.05779	0.9
105.03400	2.6
105.04514	9.5
105.07030	100.0
105.11097	2.5
106.06556	10.1
106.07356	2.3
106.28345	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0702
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	1.5
53.03944	17.3
56.89202	1.0
57.36617	1.1
58.17763	1.1
65.03940	1.9
69.51690	7.3
69.52103	2.4
77.03928	3.2
79.05494	55.0
91.05492	1.5
93.27602	1.1
95.04961	20.2
98.20753	1.2
100.92494	1.0
103.05466	32.1
105.04507	6.9
105.07027	100.0
106.07367	2.2
123.79086	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0702
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02373	1.5
53.03944	17.3
56.89202	1.0
57.36617	1.1
58.17763	1.1
65.03940	1.9
69.51690	7.3
69.52103	2.4
77.03928	3.2
79.05494	55.0
91.05492	1.5
93.27602	1.1
95.04961	20.2
98.20753	1.2
100.92494	1.0
103.05466	32.1
105.04507	6.9
105.07027	100.0
106.07367	2.2
123.79086	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1004.6184
Annotation	Unknow
Peak:m/z	Relative Intensity
70.83511	2.1
70.83881	1.7
71.07363	2.1
79.05486	8.5
81.07050	11.3
83.08607	4.0
86.09701	24.1
91.05486	5.8
93.07048	8.0
95.04971	1.5
95.08607	8.2
97.02863	1.2
97.10184	2.5
98.98462	3.6
104.10758	2.0
105.07026	6.4
107.08569	6.6
109.10146	8.7
119.08566	3.0
121.10132	3.9
123.11726	2.1
124.99993	16.9
131.08504	1.5
131.60829	0.9
133.10132	2.9
135.11665	2.6
145.10112	2.0
147.11725	1.9
149.13243	1.8
159.11659	1.7
172.95236	3.6
173.11714	1.6
173.13184	1.2
184.07330	100.0
185.07726	0.9
190.96359	2.2
195.60368	1.0
208.93744	0.9
228.12500	1.0
228.97749	1.3
229.14313	3.9
238.01022	1.0
261.22238	2.9
269.17554	1.7
275.20093	3.9
325.18893	0.9
335.25803	15.2
349.23727	2.8
357.05478	1.0
367.24780	1.7
442.98093	1.1
489.35721	6.7
504.34052	2.0
521.21674	1.6
522.23059	1.5
522.35553	16.2
529.38995	6.6
583.17047	3.0
584.17780	2.1
609.45258	8.3
627.46002	4.6
820.39099	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	101.0088
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03449	1.5
56.05036	13.2
57.04552	1.7
58.06581	1.8
59.06126	32.5
59.99921	3.3
60.04516	8.8
60.95839	2.8
66.40396	1.6
70.85955	1.3
71.09359	3.2
72.08148	1.6
72.24026	1.3
74.06060	2.2
78.00996	1.7
79.01852	2.2
82.01450	4.8
83.01487	9.8
83.06100	1.7
84.01202	1.5
84.04491	4.5
100.02468	6.2
101.00881	17.6
101.02554	42.0
101.07127	7.2
102.02238	12.2
118.03554	1.8
119.01921	100.0
119.03595	21.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	101.0089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	3.9
56.05037	20.7
56.96568	17.0
57.02886	1.2
57.03434	2.4
57.04567	2.5
58.05338	1.8
58.06593	1.5
58.96159	3.9
59.06124	48.1
59.96186	2.0
60.04527	12.9
60.95858	10.1
67.51087	1.6
69.04565	1.5
70.60281	4.3
72.06909	1.9
72.08151	2.5
73.02940	1.5
73.38934	1.2
74.06087	3.6
77.00801	2.6
79.01871	1.5
83.01517	3.6
83.04980	1.1
83.06105	7.0
84.01189	1.6
84.04513	7.1
86.81487	1.1
98.97590	1.8
100.02487	4.5
100.97200	1.1
100.98009	1.6
101.00879	20.2
101.02547	19.5
101.07153	14.1
102.02234	7.5
106.26493	1.1
116.98535	1.2
118.03560	1.5
118.98225	1.3
119.01921	100.0
119.03617	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	1028.4686
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04966	2.2
72.08140	0.7
79.05487	13.7
79.86398	0.5
81.03414	25.9
81.06599	0.8
81.07053	14.7
83.04974	6.7
83.08612	8.8
84.04485	0.7
84.08117	0.6
85.02897	7.0
85.06513	0.9
86.09675	2.1
91.05473	20.3
93.03384	1.0
93.06485	0.7
93.07039	8.1
95.04962	11.6
95.08589	6.2
97.02864	2.0
97.06525	3.5
97.10130	2.2
99.08076	0.9
103.05436	1.4
105.07024	10.4
107.04954	5.5
107.08584	4.3
109.02896	0.6
109.06500	2.8
109.10134	2.3
111.04396	1.8
111.08085	3.9
113.05962	0.8
115.05437	3.5
117.06998	3.0
119.08571	8.9
121.02845	0.9
121.06462	1.4
121.10126	4.1
123.04456	2.8
123.08047	1.4
124.99925	0.8
125.09618	1.1
128.06197	1.0
129.05476	0.6
129.06993	7.1
131.04918	1.6
131.08560	6.6
133.06474	2.6
133.10129	5.8
135.04366	1.3
135.11681	1.4
137.05937	1.8
137.09575	1.5
139.03928	0.8
141.06958	1.5
142.07774	1.1
143.04903	1.3
143.08513	0.7
145.06474	1.3
145.10120	3.0
147.04382	1.5
147.08046	1.8
147.11681	5.7
149.05927	1.4
149.09637	3.1
153.07008	2.8
155.04860	1.2
155.08524	1.5
157.06432	1.9
157.10106	6.0
161.05965	8.7
163.03896	7.7
163.07538	0.9
163.11137	2.4
165.05432	3.4
165.06909	1.3
165.09099	0.8
165.12738	1.2
167.04851	0.7
167.07007	1.9
167.08493	1.2
169.06482	1.7
171.04366	0.8
171.07979	1.0
173.05972	62.0
173.09592	1.9
174.06296	1.0
175.03882	2.6
175.07521	3.4
175.11194	6.6
177.05446	2.0
179.08534	0.8
181.04961	1.0
181.06409	4.2
183.04404	0.6
183.08038	1.4
184.05151	0.5
184.07347	3.0
185.05960	5.2
187.03886	1.6
187.07524	12.6
189.05475	5.2
189.09132	1.0
191.03413	0.8
191.10674	1.8
193.06531	1.0
193.12239	20.2
195.08080	2.7
197.05983	5.9
197.09644	1.0
198.06769	0.7
199.03839	1.5
199.07530	16.6
200.04791	0.8
201.05449	23.7
201.09125	1.5
202.05772	0.6
203.07011	1.6
207.08185	0.8
209.06003	0.7
210.06769	1.0
211.07567	8.6
211.13272	33.3
212.08154	0.9
213.05457	13.0
213.08989	7.2
215.07053	5.6
217.04944	78.5
217.17125	0.5
218.05287	1.3
219.11839	0.8
219.13731	3.2
221.05846	0.5
221.09683	0.6
223.07587	2.7
224.08191	0.6
225.05502	4.1
225.09056	2.2
226.06230	1.4
227.06993	8.9
227.10651	1.7
229.04955	9.9
229.08510	1.0
231.06413	1.2
235.07568	0.9
236.08395	0.6
237.05202	0.5
237.09070	1.0
239.07014	3.5
239.10562	1.0
241.04865	1.9
241.08499	2.5
241.12270	1.1
243.06529	2.7
247.11177	0.7
249.09120	1.4
249.12688	1.8
249.14934	0.6
251.10728	1.1
253.08589	1.5
255.06294	0.5
255.13806	1.7
257.08090	0.8
257.15277	1.0
263.14398	0.8
265.09775	0.6
265.12180	4.0
267.13336	3.4
267.16135	5.7
273.07581	1.4
273.12482	0.7
273.96933	0.5
275.10648	1.3
277.12103	0.6
281.15329	2.0
283.13232	4.3
285.17142	13.7
287.05301	0.7
291.13702	1.7
293.11716	2.1
295.13107	0.8
299.16397	0.6
309.14810	4.6
311.12759	21.4
313.14294	8.7
323.16339	0.7
327.15790	5.1
329.13809	67.7
330.14111	1.8
337.14294	8.5
345.16156	0.6
347.14926	3.2
355.15381	19.7
371.14520	0.5
373.16492	8.9
385.16418	100.0
386.16876	2.1
401.19736	0.7
403.17511	11.4
411.17993	6.6
421.15771	0.6
429.19077	42.1
430.19257	1.2
447.20093	4.7
485.17828	2.0
503.18408	0.9
503.24734	0.7
511.19788	0.7
529.20337	1.7
547.26489	0.8
577.28577	3.5
595.28967	26.3
596.29578	1.0
603.30347	2.7
611.32062	0.8
613.30005	17.9
614.30597	0.9
621.31378	11.6
639.31610	16.7
648.11115	0.6
657.32635	17.4
751.33069	1.2
769.33984	4.0
785.37549	0.6
787.34930	1.4
795.36023	1.1
813.36963	6.1
831.37903	8.0
1028.38000	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01592	1.1
50.63054	0.4
51.02386	2.7
53.03948	19.5
55.01872	1.2
56.05036	0.7
56.96563	0.4
57.05349	1.2
58.06592	1.3
59.06122	5.4
60.04524	1.0
60.08163	0.5
62.06082	0.9
69.80569	1.7
69.80998	1.1
71.01355	15.7
77.03931	3.9
81.03413	1.7
85.02904	0.5
86.06070	1.5
86.09743	0.4
87.87910	0.5
95.04967	32.1
96.05289	0.7
102.04681	4.1
103.03992	1.9
103.05467	100.0
103.08669	2.2
104.05803	1.5
104.10725	1.2
105.04508	9.2
123.33614	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01601	0.5
51.02385	3.5
53.03946	23.5
55.01854	1.2
59.06110	2.0
60.08163	0.7
68.96523	0.5
70.73779	1.4
71.01351	22.6
71.01746	1.1
77.03927	4.9
81.03412	2.0
86.06048	1.5
88.91541	0.5
89.96434	0.5
95.04964	35.8
102.04114	0.6
102.04674	3.8
103.05463	100.0
103.08717	1.1
104.05805	1.9
104.10748	0.7
105.04509	11.6
110.37317	0.4
114.35744	0.4
123.55578	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	3.8
52.82211	0.7
53.03948	27.3
55.01851	1.0
56.05040	4.7
56.27541	0.7
56.96553	1.4
57.03394	0.8
57.04534	0.8
57.05359	4.2
58.02950	1.9
58.06601	5.2
59.06127	8.8
60.04505	2.7
60.08159	2.0
60.95852	2.0
62.06093	11.6
69.54740	0.8
71.02322	0.9
71.35674	1.2
72.37246	0.8
73.07664	2.7
74.06081	0.9
75.05598	3.0
75.55043	0.7
77.03933	6.3
81.03426	3.6
83.29723	0.7
84.99090	0.7
85.02892	3.2
85.07662	2.0
86.06064	7.8
95.04971	40.5
96.05268	1.0
97.40178	0.7
102.04697	6.7
103.03976	3.2
103.05467	100.0
103.08701	19.7
104.05785	1.5
104.10734	2.7
105.04526	12.2
112.94270	0.8
124.75237	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01585	0.7
50.50568	0.4
51.02374	3.1
53.03943	23.6
54.04725	0.4
54.34919	0.4
55.01849	1.9
56.05022	0.8
57.05355	0.8
58.06590	1.0
59.06121	2.2
60.08164	0.5
62.06074	1.1
69.92030	1.0
69.92441	1.9
71.01352	3.7
73.07666	0.7
77.03920	5.2
81.03405	2.7
81.20158	0.4
85.02893	0.5
86.06048	1.1
95.04961	37.8
96.05301	0.7
102.04664	4.1
103.05460	100.0
103.08677	2.6
104.05799	2.0
104.10740	0.7
105.04513	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	103.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01603	0.8
51.02380	2.8
53.03947	24.6
54.45058	0.6
55.01874	1.2
58.06607	0.5
59.06126	1.9
69.40210	5.0
71.01353	82.0
72.01690	0.7
77.03927	6.1
81.03413	1.9
89.01796	0.6
95.04968	35.8
102.04693	3.4
103.04020	4.9
103.05467	100.0
104.05804	2.0
105.04510	9.8
105.05160	1.0
118.06573	0.8
END